smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCc2ccccc2)C1 ZINC000950055709 720469833 /nfs/dbraw/zinc/46/98/33/720469833.db2.gz MNYSNPOWZMLVNU-HZPDHXFCSA-N 0 3 317.389 1.427 20 5 DDBDHN Cc1cc(NC(=O)N(C)CCN(C)CCO)ccc1[N+](=O)[O-] ZINC001202701549 749503899 /nfs/dbraw/zinc/50/38/99/749503899.db2.gz DMVUXJQEONUEQW-UHFFFAOYSA-N 0 3 310.354 1.291 20 5 DDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2nccn2CC(F)(F)F)C1 ZINC001168991963 762165552 /nfs/dbraw/zinc/16/55/52/762165552.db2.gz INLLCBJQPJSJIR-ZJUUUORDSA-N 0 3 306.288 1.980 20 5 DDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(CCc3ccncc3)CC2)C1 ZINC001169030244 762186789 /nfs/dbraw/zinc/18/67/89/762186789.db2.gz XHQLMKDKPBVSFI-IAGOWNOFSA-N 0 3 318.421 1.687 20 5 DDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)C1 ZINC001169023822 762202323 /nfs/dbraw/zinc/20/23/23/762202323.db2.gz FLWKVSDPPWPYRE-QXSJWSMHSA-N 0 3 309.410 1.227 20 5 DDBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CNCCO1 ZINC001170566178 768167193 /nfs/dbraw/zinc/16/71/93/768167193.db2.gz DVMMFALMUKLILM-GMSGAONNSA-N 0 3 320.271 1.797 20 5 DDBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCCC2CCCC2)C1 ZINC001042705625 764373529 /nfs/dbraw/zinc/37/35/29/764373529.db2.gz VAZSMCBQEYGQFP-HUUCEWRRSA-N 0 3 309.410 1.765 20 5 DDBDHN Cc1c(CC[NH3+])c(=O)[n-]n1-c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001170337912 766270479 /nfs/dbraw/zinc/27/04/79/766270479.db2.gz JPIFEOMQIXGWLW-UHFFFAOYSA-N 0 3 317.349 1.570 20 5 DDBDHN O=C(CC1=CCOCC1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001133398587 769769256 /nfs/dbraw/zinc/76/92/56/769769256.db2.gz DJHALXBYLSTQIF-UHFFFAOYSA-N 0 3 319.361 1.537 20 5 DDBDHN CC(C)N(C)CC(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001100149761 775735493 /nfs/dbraw/zinc/73/54/93/775735493.db2.gz PGUUVFFBHMJPGN-UHFFFAOYSA-N 0 3 308.382 1.487 20 5 DDBDHN COc1cc(N[C@H]2CCCC[C@@]23CNCCO3)ncc1[N+](=O)[O-] ZINC001155824075 862478351 /nfs/dbraw/zinc/47/83/51/862478351.db2.gz IKXWZGAVEZBIRS-DZGCQCFKSA-N 0 3 322.365 1.712 20 5 DDBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NOCCN(C)C ZINC001328308913 862888489 /nfs/dbraw/zinc/88/84/89/862888489.db2.gz FAOVQRBDZKRSPH-CYBMUJFWSA-N 0 3 309.366 1.773 20 5 DDBDHN CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1ccc([C@H](C)N)n1 ZINC001158350738 864595867 /nfs/dbraw/zinc/59/58/67/864595867.db2.gz OBABUBWYLLFSPW-QMMMGPOBSA-N 0 3 305.294 1.372 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(N[C@H](C)[C@@H]2CNCCO2)nc1Cl ZINC001159496597 865348789 /nfs/dbraw/zinc/34/87/89/865348789.db2.gz KKLHVMGPTABAKA-SCZZXKLOSA-N 0 3 300.746 1.740 20 5 DDBDHN C[C@H](Nc1cnc2ccc([N+](=O)[O-])cc2n1)[C@@H]1CNCCO1 ZINC001159497454 865349328 /nfs/dbraw/zinc/34/93/28/865349328.db2.gz OAUOGJYFEDVDLK-ZANVPECISA-N 0 3 303.322 1.327 20 5 DDBDHN CCN(CC)CCNC(=N)Nc1nc(C)cc(OC)c1[N+](=O)[O-] ZINC001163125553 868128270 /nfs/dbraw/zinc/12/82/70/868128270.db2.gz FHDOXOOVDPADJP-UHFFFAOYSA-N 0 3 324.385 1.585 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC001335230802 868157974 /nfs/dbraw/zinc/15/79/74/868157974.db2.gz REBSTVOKKFOCFN-IAQYHMDHSA-N 0 3 318.377 1.755 20 5 DDBDHN CN(c1ccc([N+](=O)[O-])c2ccccc21)S(=O)(=O)CCN ZINC001164297493 869098696 /nfs/dbraw/zinc/09/86/96/869098696.db2.gz VKCHMDJEFBCZAO-UHFFFAOYSA-N 0 3 309.347 1.473 20 5 DDBDHN Cc1cc(OCC(=O)NC[C@@H]2CCCCN2C)ccc1[N+](=O)[O-] ZINC001339268225 870430364 /nfs/dbraw/zinc/43/03/64/870430364.db2.gz XCOVECHBCROMJM-ZDUSSCGKSA-N 0 3 321.377 1.883 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCCCN1C ZINC001353895338 877635331 /nfs/dbraw/zinc/63/53/31/877635331.db2.gz TVOYUUWNPPFVLM-GFCCVEGCSA-N 0 3 309.370 1.090 20 5 DDBDHN COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H]1CCCN(C)C1 ZINC001222772316 880693448 /nfs/dbraw/zinc/69/34/48/880693448.db2.gz ALTRDJSUZIZNOL-NSHDSACASA-N 0 3 308.334 1.992 20 5 DDBDHN CO[C@@H]1CCN(CCOCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001222932106 880749247 /nfs/dbraw/zinc/74/92/47/880749247.db2.gz QCJOCNUCCFXMAS-GFCCVEGCSA-N 0 3 321.333 1.973 20 5 DDBDHN N[C@H]1CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1F ZINC001246526273 892678660 /nfs/dbraw/zinc/67/86/60/892678660.db2.gz ADJKWQCYXFPVCR-CABCVRRESA-N 0 3 308.357 1.545 20 5 DDBDHN CC[C@H](NC[C@H](O)Cn1ccnn1)c1cccc([N+](=O)[O-])c1 ZINC000414178794 529619792 /nfs/dbraw/zinc/61/97/92/529619792.db2.gz KFWRWNWYDVTUJK-KBPBESRZSA-N 0 3 305.338 1.288 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCCN(C)C1 ZINC000614934628 362084900 /nfs/dbraw/zinc/08/49/00/362084900.db2.gz AVLKBCQZAONQOU-JTQLQIEISA-N 0 3 308.338 1.819 20 5 DDBDHN C[C@@H]([NH3+])C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000320717981 290821594 /nfs/dbraw/zinc/82/15/94/290821594.db2.gz VIUGNXFYXFWDCM-HTQZYQBOSA-N 0 3 321.786 1.652 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCOC[C@@H]1C ZINC000277410510 213506808 /nfs/dbraw/zinc/50/68/08/213506808.db2.gz JOPXCAYRUKQIMQ-WCQYABFASA-N 0 3 307.350 1.856 20 5 DDBDHN Cc1nn(C)c(Nc2cnn(C3CCN(C)CC3)c2)c1[N+](=O)[O-] ZINC000601227840 358456034 /nfs/dbraw/zinc/45/60/34/358456034.db2.gz WXQGFFASNSEDGE-UHFFFAOYSA-N 0 3 319.369 1.844 20 5 DDBDHN CCOC(=O)CC[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000564844726 304019003 /nfs/dbraw/zinc/01/90/03/304019003.db2.gz LXAPTORLNDVNBH-FZMZJTMJSA-N 0 3 310.350 1.950 20 5 DDBDHN COCCN(C)CCCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000041967725 352321871 /nfs/dbraw/zinc/32/18/71/352321871.db2.gz GGKRMRLPUUUTAT-UHFFFAOYSA-N 0 3 315.395 1.663 20 5 DDBDHN O=C(COc1ccccc1[N+](=O)[O-])NCCN1CCCCC1 ZINC000046855032 352464740 /nfs/dbraw/zinc/46/47/40/352464740.db2.gz LRNWTNWEAMFLSP-UHFFFAOYSA-N 0 3 307.350 1.576 20 5 DDBDHN CN(C)[C@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000173046016 198180865 /nfs/dbraw/zinc/18/08/65/198180865.db2.gz PCOLUSNFMZKKCB-LBPRGKRZSA-N 0 3 306.366 1.194 20 5 DDBDHN CN(C)[C@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491476544 234179373 /nfs/dbraw/zinc/17/93/73/234179373.db2.gz AQHJRZZYZSIZDN-BPJJOFIESA-N 0 3 307.325 1.910 20 5 DDBDHN C[C@H]1CCCN(CCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173101625 198184388 /nfs/dbraw/zinc/18/43/88/198184388.db2.gz GUMGIIAIKXVUAB-ZDUSSCGKSA-N 0 3 305.378 1.985 20 5 DDBDHN Cc1n[nH]c(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000064336999 352934345 /nfs/dbraw/zinc/93/43/45/352934345.db2.gz RPDFTKVLHXIVLU-VHSXEESVSA-N 0 3 309.370 1.477 20 5 DDBDHN COC[C@@](C)(O)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000069912463 353176297 /nfs/dbraw/zinc/17/62/97/353176297.db2.gz XQMVGVJGTCYNES-AWEZNQCLSA-N 0 3 314.338 1.099 20 5 DDBDHN COCCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000069528142 353165344 /nfs/dbraw/zinc/16/53/44/353165344.db2.gz MXZQHBIWKKQHDJ-AWEZNQCLSA-N 0 3 321.377 1.744 20 5 DDBDHN CCCN1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074073544 353288944 /nfs/dbraw/zinc/28/89/44/353288944.db2.gz GXVMGARAJXEGIB-UHFFFAOYSA-N 0 3 321.377 1.918 20 5 DDBDHN Cc1nc(NC2CCN([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000089603553 353776472 /nfs/dbraw/zinc/77/64/72/353776472.db2.gz XMVIPFBJNPDKFN-CYBMUJFWSA-N 0 3 306.366 1.963 20 5 DDBDHN CN(C)CCCS(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000601297685 358485427 /nfs/dbraw/zinc/48/54/27/358485427.db2.gz BSRRLZZNYZBMTQ-UHFFFAOYSA-N 0 3 313.379 1.239 20 5 DDBDHN CN(C)C[C@H](CO)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000589101704 354959610 /nfs/dbraw/zinc/95/96/10/354959610.db2.gz IRZSXJHUVXYBHQ-SECBINFHSA-N 0 3 307.272 1.948 20 5 DDBDHN Cn1c(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000495123415 235128971 /nfs/dbraw/zinc/12/89/71/235128971.db2.gz VELDELJYKJMJJZ-NEPJUHHUSA-N 0 3 306.366 1.490 20 5 DDBDHN COC(=O)c1ccnc(NCCN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000590573513 355117503 /nfs/dbraw/zinc/11/75/03/355117503.db2.gz ZOGOEAPMODYPDR-LLVKDONJSA-N 0 3 322.365 1.920 20 5 DDBDHN CNc1c(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590443462 355097883 /nfs/dbraw/zinc/09/78/83/355097883.db2.gz KKVUJZJVTKDJAD-ZWNOBZJWSA-N 0 3 304.350 1.413 20 5 DDBDHN O=[N+]([O-])c1cccc(N2CCN(CCc3c[nH]nn3)CC2)c1 ZINC000590604637 355128261 /nfs/dbraw/zinc/12/82/61/355128261.db2.gz LMERXHNGVYSJNH-UHFFFAOYSA-N 0 3 302.338 1.078 20 5 DDBDHN COc1cc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000590776542 355176651 /nfs/dbraw/zinc/17/66/51/355176651.db2.gz WNAXXCHLRWVNTJ-SMDDNHRTSA-N 0 3 319.361 1.688 20 5 DDBDHN O=C(CNc1ccccc1[N+](=O)[O-])NCCN1CCCCCC1 ZINC000358716972 299229559 /nfs/dbraw/zinc/22/95/59/299229559.db2.gz WWKKEESGTFHTSU-UHFFFAOYSA-N 0 3 320.393 1.999 20 5 DDBDHN CC(=O)N[C@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591476884 355320697 /nfs/dbraw/zinc/32/06/97/355320697.db2.gz MSMQDDOOUPBNLU-ZDUSSCGKSA-N 0 3 307.350 1.574 20 5 DDBDHN Cc1ccc(OC[C@H](O)CNCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000591756594 355377945 /nfs/dbraw/zinc/37/79/45/355377945.db2.gz ILERZCRLIKTEOW-CQSZACIVSA-N 0 3 320.349 1.129 20 5 DDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCN(C2CC2)C1 ZINC000593420862 355880577 /nfs/dbraw/zinc/88/05/77/355880577.db2.gz IJLAUQFQUWZODC-LBPRGKRZSA-N 0 3 307.325 1.629 20 5 DDBDHN COc1cc(C[NH2+]C[C@H](CO)CC2CC2)c([N+](=O)[O-])cc1[O-] ZINC000594981916 356367860 /nfs/dbraw/zinc/36/78/60/356367860.db2.gz CDKOWWNWGAVYBL-LLVKDONJSA-N 0 3 310.350 1.807 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCn1cncn1 ZINC000595022014 356373904 /nfs/dbraw/zinc/37/39/04/356373904.db2.gz GHQWLWWECYKCCI-LLVKDONJSA-N 0 3 305.338 1.936 20 5 DDBDHN C[C@@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])n2C)CCCO1 ZINC000347094712 283176109 /nfs/dbraw/zinc/17/61/09/283176109.db2.gz DZNWNCIHDJSWHG-GFCCVEGCSA-N 0 3 324.381 1.164 20 5 DDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCOC3(CNC3)C2)c1 ZINC000596097219 356770700 /nfs/dbraw/zinc/77/07/00/356770700.db2.gz GGMAYDCGOSNPSG-UHFFFAOYSA-N 0 3 323.374 1.131 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCOC2(CNC2)C1 ZINC000596104452 356773010 /nfs/dbraw/zinc/77/30/10/356773010.db2.gz FCVWTYHHXOTXNU-UHFFFAOYSA-N 0 3 307.350 1.168 20 5 DDBDHN CC(C)c1ccc(C(=O)N2CCOC3(CNC3)C2)cc1[N+](=O)[O-] ZINC000596106130 356773784 /nfs/dbraw/zinc/77/37/84/356773784.db2.gz PPZFKKZCJJJBHB-UHFFFAOYSA-N 0 3 319.361 1.533 20 5 DDBDHN CS[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000596197169 356810093 /nfs/dbraw/zinc/81/00/93/356810093.db2.gz VXUCXRORVLUSID-RYUDHWBXSA-N 0 3 324.406 1.711 20 5 DDBDHN CCOc1cc(CNC2(CO)CCOCC2)ccc1[N+](=O)[O-] ZINC000276908594 213168398 /nfs/dbraw/zinc/16/83/98/213168398.db2.gz MVUNFSTVHYMYJR-UHFFFAOYSA-N 0 3 310.350 1.625 20 5 DDBDHN CCOC(=O)c1cc(N(C)CC2CN(C)C2)ccc1[N+](=O)[O-] ZINC000596454800 356884403 /nfs/dbraw/zinc/88/44/03/356884403.db2.gz UYGBNOFQGKYBDM-UHFFFAOYSA-N 0 3 307.350 1.769 20 5 DDBDHN CCCN1CC[C@H](Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000596516253 356903176 /nfs/dbraw/zinc/90/31/76/356903176.db2.gz DEVOUTZVPPXMLU-NSHDSACASA-N 0 3 322.365 1.981 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000597859331 357361648 /nfs/dbraw/zinc/36/16/48/357361648.db2.gz UOYDIHCPVZBIJL-NSHDSACASA-N 0 3 309.370 1.089 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000597923777 357383743 /nfs/dbraw/zinc/38/37/43/357383743.db2.gz POQMNVMFRCGDEP-LLVKDONJSA-N 0 3 309.370 1.089 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1(F)F ZINC000599512292 357960781 /nfs/dbraw/zinc/96/07/81/357960781.db2.gz HVGFEBSTIIXEKL-CKYFFXLPSA-N 0 3 318.324 1.375 20 5 DDBDHN C[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180531162 199172003 /nfs/dbraw/zinc/17/20/03/199172003.db2.gz KYMQVRDPRBGTDJ-JTQLQIEISA-N 0 3 307.354 1.176 20 5 DDBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000601422099 358544978 /nfs/dbraw/zinc/54/49/78/358544978.db2.gz PJAIUCMEJCSJTK-IUCAKERBSA-N 0 3 319.408 1.369 20 5 DDBDHN Cc1cc(S(=O)(=O)NC(C)(C)CN(C)C)c([N+](=O)[O-])s1 ZINC000601434671 358551589 /nfs/dbraw/zinc/55/15/89/358551589.db2.gz JPHDTUYRWRWJFT-UHFFFAOYSA-N 0 3 321.424 1.583 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602724368 359150717 /nfs/dbraw/zinc/15/07/17/359150717.db2.gz KGKVDOUGHSENHS-HOTGVXAUSA-N 0 3 317.345 1.388 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC([C@@H]2CCOC2)CC1 ZINC000602805268 359202667 /nfs/dbraw/zinc/20/26/67/359202667.db2.gz NTWKBAHDJHMCEA-CQSZACIVSA-N 0 3 308.382 1.848 20 5 DDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000602938987 359307872 /nfs/dbraw/zinc/30/78/72/359307872.db2.gz ZSBZFHCTLPYWRT-UHNFBRDESA-N 0 3 317.345 1.640 20 5 DDBDHN C[C@@](CO)(NC[C@@H](O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602963452 359326640 /nfs/dbraw/zinc/32/66/40/359326640.db2.gz VTUMVNLTHRAUEQ-RYUDHWBXSA-N 0 3 322.283 1.705 20 5 DDBDHN CC1(CO)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000186896751 200028647 /nfs/dbraw/zinc/02/86/47/200028647.db2.gz NZTLZNJZBWDKRC-CYBMUJFWSA-N 0 3 324.377 1.429 20 5 DDBDHN O=C(CN1CCCC1)N1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000609132844 360262832 /nfs/dbraw/zinc/26/28/32/360262832.db2.gz QYYWDNMCYSROPO-UHFFFAOYSA-N 0 3 324.406 1.401 20 5 DDBDHN COc1ccc(CC(=O)N2CCN(C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000609584781 360329198 /nfs/dbraw/zinc/32/91/98/360329198.db2.gz ITLHELYXWFRKQB-GFCCVEGCSA-N 0 3 321.377 1.699 20 5 DDBDHN CC(C)(CO)N1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610481261 360446840 /nfs/dbraw/zinc/44/68/40/360446840.db2.gz VQTFOHALVHZPPD-UHFFFAOYSA-N 0 3 323.393 1.362 20 5 DDBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@@]1(CO)CCOC1 ZINC000613130200 361282695 /nfs/dbraw/zinc/28/26/95/361282695.db2.gz ABAPDAZDUQURPR-OAHLLOKOSA-N 0 3 310.350 1.447 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]([NH3+])C2CC2)c1[N+](=O)[O-] ZINC000193315133 201028575 /nfs/dbraw/zinc/02/85/75/201028575.db2.gz YKMCDWMKHCHZSV-LLVKDONJSA-N 0 3 313.379 1.227 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[NH+](C)C)c1C ZINC000293032198 223361741 /nfs/dbraw/zinc/36/17/41/223361741.db2.gz PNVYNPBYAOTFGA-UHFFFAOYSA-N 0 3 315.395 1.442 20 5 DDBDHN CCCc1n[nH]c(C(=O)NCCN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000264685207 204077720 /nfs/dbraw/zinc/07/77/20/204077720.db2.gz QVVLADVPPRKYIQ-NSHDSACASA-N 0 3 323.397 1.732 20 5 DDBDHN C[C@@H](N[C@@H](C)Cn1cccn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264846011 204205081 /nfs/dbraw/zinc/20/50/81/204205081.db2.gz IDEXSSPUABKGQA-NWDGAFQWSA-N 0 3 317.349 1.797 20 5 DDBDHN COc1cc(C(=O)N2CC[C@@H](N(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000265960780 205000094 /nfs/dbraw/zinc/00/00/94/205000094.db2.gz QHDBBTJLIUNHHB-LLVKDONJSA-N 0 3 323.349 1.388 20 5 DDBDHN CCOC(=O)[C@](C)(O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000274671091 211814408 /nfs/dbraw/zinc/81/44/08/211814408.db2.gz SMIZFFYUXRXEKP-XHDPSFHLSA-N 0 3 310.350 1.868 20 5 DDBDHN COc1ccc(OCCN2CCCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000173527739 248342033 /nfs/dbraw/zinc/34/20/33/248342033.db2.gz RUVOMUIPMDZAMS-LBPRGKRZSA-N 0 3 310.350 1.829 20 5 DDBDHN COc1cc(C(=O)N2CCC[C@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000268183349 206526369 /nfs/dbraw/zinc/52/63/69/206526369.db2.gz RJAKIXCNOSOMDH-LBPRGKRZSA-N 0 3 307.350 1.770 20 5 DDBDHN COC(=O)c1cn(CCN[C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000284516781 218061086 /nfs/dbraw/zinc/06/10/86/218061086.db2.gz YVOYIPLYEMAQHW-SNVBAGLBSA-N 0 3 319.321 1.324 20 5 DDBDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)N1CCCC[C@@H]1C ZINC000339003577 250242747 /nfs/dbraw/zinc/24/27/47/250242747.db2.gz OCJKYRYAEGHHQS-WDEREUQCSA-N 0 3 321.381 1.764 20 5 DDBDHN CC(C)N1C[C@H](N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000285057025 218272908 /nfs/dbraw/zinc/27/29/08/218272908.db2.gz IRPGCLITZKDWPO-ZYHUDNBSSA-N 0 3 306.366 1.837 20 5 DDBDHN C[C@H]1CCC[C@H](C)N1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000341097796 251378581 /nfs/dbraw/zinc/37/85/81/251378581.db2.gz ISXWOGSQCWRASM-QWRGUYRKSA-N 0 3 321.381 1.764 20 5 DDBDHN COCCN1CC[C@@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000491564791 532973210 /nfs/dbraw/zinc/97/32/10/532973210.db2.gz ZAIKOVMKVHMVPY-VBROQKIQSA-N 0 3 319.361 1.445 20 5 DDBDHN O=[N+]([O-])c1c(N2CC[C@H](N3CCCC3)C2)nc2sccn21 ZINC000301145605 285077580 /nfs/dbraw/zinc/07/75/80/285077580.db2.gz JIXPQSGIRKAAOC-JTQLQIEISA-N 0 3 307.379 1.979 20 5 DDBDHN C[C@@H]1CSC[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000352813298 285317631 /nfs/dbraw/zinc/31/76/31/285317631.db2.gz AVQIKMUWDLTGJZ-ZWNOBZJWSA-N 0 3 309.391 1.899 20 5 DDBDHN Cc1n[nH]c(C(=O)NC[C@H](C)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000299580595 533668243 /nfs/dbraw/zinc/66/82/43/533668243.db2.gz OUIPJXMXWLYCHY-JTQLQIEISA-N 0 3 309.370 1.477 20 5 DDBDHN Cn1c(C(=O)Nc2ccc3c(c2)CNCCO3)ccc1[N+](=O)[O-] ZINC000261649187 407566125 /nfs/dbraw/zinc/56/61/25/407566125.db2.gz FPKIGMNDQDAAFW-UHFFFAOYSA-N 0 3 316.317 1.668 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000083406343 407081703 /nfs/dbraw/zinc/08/17/03/407081703.db2.gz WZLDGDILAHZJCX-OAHLLOKOSA-N 0 3 324.381 1.451 20 5 DDBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCNC1=O ZINC000105610985 407354577 /nfs/dbraw/zinc/35/45/77/407354577.db2.gz PVDSNBURIPTXSW-HNNXBMFYSA-N 0 3 321.377 1.964 20 5 DDBDHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000125399730 407387157 /nfs/dbraw/zinc/38/71/57/407387157.db2.gz DHDIXYGCFMVVKX-GHMZBOCLSA-N 0 3 307.354 1.027 20 5 DDBDHN NC(=O)CC[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000170731883 407486602 /nfs/dbraw/zinc/48/66/02/407486602.db2.gz YVHWIEILBYXRKX-ZDUSSCGKSA-N 0 3 321.377 1.951 20 5 DDBDHN Cn1c(C(=O)NC[C@H]2NCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000261915714 407669256 /nfs/dbraw/zinc/66/92/56/407669256.db2.gz QVZCVEVFYDVKJD-CYBMUJFWSA-N 0 3 314.345 1.550 20 5 DDBDHN CC(C)C[C@@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000236702448 407755819 /nfs/dbraw/zinc/75/58/19/407755819.db2.gz RCFKGERJTIBUQQ-CYBMUJFWSA-N 0 3 320.393 1.617 20 5 DDBDHN CC(C)C[C@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000236664250 407742902 /nfs/dbraw/zinc/74/29/02/407742902.db2.gz ISMVANRGIRNKLY-HNNXBMFYSA-N 0 3 320.393 1.617 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000171775061 407766692 /nfs/dbraw/zinc/76/66/92/407766692.db2.gz DQMLLAYEESXDOT-JTQLQIEISA-N 0 3 309.370 1.485 20 5 DDBDHN CCc1n[nH]c(C(=O)NCCN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000171803845 407770674 /nfs/dbraw/zinc/77/06/74/407770674.db2.gz PSTLOWSBRHJFBF-JTQLQIEISA-N 0 3 309.370 1.342 20 5 DDBDHN CCc1ccc(C(=O)NCC2(O)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000267183935 407781851 /nfs/dbraw/zinc/78/18/51/407781851.db2.gz WCVLOTASKXQUQD-UHFFFAOYSA-N 0 3 321.377 1.344 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1CO ZINC000118400813 407917907 /nfs/dbraw/zinc/91/79/07/407917907.db2.gz GNENHLPKUWEYGY-LBPRGKRZSA-N 0 3 323.349 1.389 20 5 DDBDHN CNC(=O)CC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174998147 408023044 /nfs/dbraw/zinc/02/30/44/408023044.db2.gz JDQZGPYUXOTIOQ-UHFFFAOYSA-N 0 3 305.378 1.985 20 5 DDBDHN C[C@]1(O)CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000245852738 408080189 /nfs/dbraw/zinc/08/01/89/408080189.db2.gz DBZZVXKEZWXKQB-HIFRSBDPSA-N 0 3 310.350 1.181 20 5 DDBDHN COC[C@@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000136635674 408116528 /nfs/dbraw/zinc/11/65/28/408116528.db2.gz VXHBWNXNDLSSGK-QMTHXVAHSA-N 0 3 307.350 1.936 20 5 DDBDHN CN1CC[C@H](Cn2nnnc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000131974459 162026925 /nfs/dbraw/zinc/02/69/25/162026925.db2.gz UTDVNQBNUFUOOJ-JTQLQIEISA-N 0 3 320.378 1.684 20 5 DDBDHN COCCN1CCC[C@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183594337 408450056 /nfs/dbraw/zinc/45/00/56/408450056.db2.gz SDPCLACHKJQGIO-NSHDSACASA-N 0 3 323.353 1.222 20 5 DDBDHN CC(C)N1CCC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000274520376 408436540 /nfs/dbraw/zinc/43/65/40/408436540.db2.gz SCQLHVBATIRFHN-CYBMUJFWSA-N 0 3 321.377 1.963 20 5 DDBDHN Cc1[nH]nc(C(=O)N2CC[C@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264429785 408486697 /nfs/dbraw/zinc/48/66/97/408486697.db2.gz ALKLVQKIRFZDKX-NSHDSACASA-N 0 3 307.354 1.327 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CC[C@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264429785 408486705 /nfs/dbraw/zinc/48/67/05/408486705.db2.gz ALKLVQKIRFZDKX-NSHDSACASA-N 0 3 307.354 1.327 20 5 DDBDHN Cc1cc(CN(C)C)cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000270355195 408501079 /nfs/dbraw/zinc/50/10/79/408501079.db2.gz DSPHTNDXXWFNHV-UHFFFAOYSA-N 0 3 317.349 1.800 20 5 DDBDHN Cc1nc(N2CCN(CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000275662415 408636531 /nfs/dbraw/zinc/63/65/31/408636531.db2.gz YROLTXUWUKRUMK-LLVKDONJSA-N 0 3 308.382 1.580 20 5 DDBDHN CC(C)[C@H](CCO)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000162196572 408679530 /nfs/dbraw/zinc/67/95/30/408679530.db2.gz MUZBIMLARIIAQE-GJZGRUSLSA-N 0 3 321.377 1.697 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CCO)C(C)C ZINC000162260387 408685598 /nfs/dbraw/zinc/68/55/98/408685598.db2.gz PJSYUXNTSYBMHS-CYBMUJFWSA-N 0 3 309.366 1.838 20 5 DDBDHN COC[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000252441771 408793470 /nfs/dbraw/zinc/79/34/70/408793470.db2.gz RXRDTFGXKQPDQQ-DZGCQCFKSA-N 0 3 324.377 1.693 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCOC[C@H]1C ZINC000277297268 408914693 /nfs/dbraw/zinc/91/46/93/408914693.db2.gz CFCPFXQQBDEHCD-ZYHUDNBSSA-N 0 3 323.349 1.557 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000286989450 409003047 /nfs/dbraw/zinc/00/30/47/409003047.db2.gz GXVHQJYVZHKGAX-WDEREUQCSA-N 0 3 307.354 1.325 20 5 DDBDHN Cc1[nH]nc(C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000286989450 409003049 /nfs/dbraw/zinc/00/30/49/409003049.db2.gz GXVHQJYVZHKGAX-WDEREUQCSA-N 0 3 307.354 1.325 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCC1(O)CCN(C)CC1 ZINC000278033504 409054066 /nfs/dbraw/zinc/05/40/66/409054066.db2.gz RFYDVPTVBLOLBK-UHFFFAOYSA-N 0 3 307.350 1.090 20 5 DDBDHN C[C@H](CC(N)=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279527693 409231832 /nfs/dbraw/zinc/23/18/32/409231832.db2.gz OXORXXRZGMHHNP-SSDOTTSWSA-N 0 3 305.256 1.967 20 5 DDBDHN CC(C)N1CCC(N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290579700 409451139 /nfs/dbraw/zinc/45/11/39/409451139.db2.gz VPZQHGTZFXSQQA-UHFFFAOYSA-N 0 3 321.381 1.398 20 5 DDBDHN CN(C)CCOCCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000318890547 164034025 /nfs/dbraw/zinc/03/40/25/164034025.db2.gz SRYCSEIIPPJBLX-UHFFFAOYSA-N 0 3 322.287 1.999 20 5 DDBDHN C[C@@H]1CCN(C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000354001344 409592139 /nfs/dbraw/zinc/59/21/39/409592139.db2.gz OAEONKCSVDAKMX-GFCCVEGCSA-N 0 3 306.366 1.559 20 5 DDBDHN CN1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000297705573 409966774 /nfs/dbraw/zinc/96/67/74/409966774.db2.gz BAGYOPQGHGOTHU-UHFFFAOYSA-N 0 3 317.349 1.782 20 5 DDBDHN CCNC(=O)[C@H](NCCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000339331535 410101491 /nfs/dbraw/zinc/10/14/91/410101491.db2.gz ZDERHUBTLIBXCJ-CQSZACIVSA-N 0 3 309.366 1.724 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000357908910 410321990 /nfs/dbraw/zinc/32/19/90/410321990.db2.gz FMLOGRLGKUOUQM-GFCCVEGCSA-N 0 3 309.391 1.897 20 5 DDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)C(=O)N(C)C ZINC000357850344 410294879 /nfs/dbraw/zinc/29/48/79/410294879.db2.gz NBNPHPLHFZQYOX-GHMZBOCLSA-N 0 3 322.365 1.378 20 5 DDBDHN CCOc1ccc([C@@H](C)NC[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358251984 410421368 /nfs/dbraw/zinc/42/13/68/410421368.db2.gz NDFMMNRJFANMOT-WBMJQRKESA-N 0 3 323.393 1.711 20 5 DDBDHN CCOc1ccc([C@@H](C)NC[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358251983 410421453 /nfs/dbraw/zinc/42/14/53/410421453.db2.gz NDFMMNRJFANMOT-MLGOLLRUSA-N 0 3 323.393 1.711 20 5 DDBDHN CCN1CCC(Nc2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000301103545 410659419 /nfs/dbraw/zinc/65/94/19/410659419.db2.gz LLTVKLLBVGWCBN-UHFFFAOYSA-N 0 3 306.366 1.851 20 5 DDBDHN CCN1CCC[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000330436400 410690638 /nfs/dbraw/zinc/69/06/38/410690638.db2.gz MMIPFIFGOJRHSM-NSHDSACASA-N 0 3 309.370 1.127 20 5 DDBDHN Cc1nc(NC[C@H](O)CN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000301629845 410759822 /nfs/dbraw/zinc/75/98/22/410759822.db2.gz CBNYNJWITAITFE-ZDUSSCGKSA-N 0 3 308.382 1.803 20 5 DDBDHN CC[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)N(CC)CC ZINC000359676988 410808559 /nfs/dbraw/zinc/80/85/59/410808559.db2.gz IADKAOZVLNFLHA-ZDUSSCGKSA-N 0 3 319.365 2.530 20 5 DDBDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000348180928 410839511 /nfs/dbraw/zinc/83/95/11/410839511.db2.gz IZPXADJUXWCLMG-RYUDHWBXSA-N 0 3 307.350 1.608 20 5 DDBDHN COCCN(CCN(C)C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000580260605 422907695 /nfs/dbraw/zinc/90/76/95/422907695.db2.gz IYWXKDKTFAOLDH-UHFFFAOYSA-N 0 3 313.329 1.384 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CNCC3)n1 ZINC000580768741 422952295 /nfs/dbraw/zinc/95/22/95/422952295.db2.gz XZPWYTMROFCAII-UHFFFAOYSA-N 0 3 315.333 1.709 20 5 DDBDHN O=[N+]([O-])c1cnc(N2CCCN(C3CCOCC3)CC2)s1 ZINC000374491878 418534820 /nfs/dbraw/zinc/53/48/20/418534820.db2.gz INLJQNSAHKCBAB-UHFFFAOYSA-N 0 3 312.395 1.742 20 5 DDBDHN COc1cccc(C(=O)N(C)CCN(C)C2CC2)c1[N+](=O)[O-] ZINC000192904574 418527689 /nfs/dbraw/zinc/52/76/89/418527689.db2.gz UXWLTMPYJZRUNE-UHFFFAOYSA-N 0 3 307.350 1.770 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000375053029 418595897 /nfs/dbraw/zinc/59/58/97/418595897.db2.gz DWUBOMYXJFZFGQ-HIFRSBDPSA-N 0 3 303.362 1.690 20 5 DDBDHN CNC(=O)c1ccc(N2CC[C@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000375035556 418592121 /nfs/dbraw/zinc/59/21/21/418592121.db2.gz CTNFLEBQLKZOOS-IAQYHMDHSA-N 0 3 318.377 1.485 20 5 DDBDHN C[C@H]1CCN[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000422938769 227271087 /nfs/dbraw/zinc/27/10/87/227271087.db2.gz PYQDCQZTLZMJCR-WCQYABFASA-N 0 3 306.366 1.511 20 5 DDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C[C@@H]1CCCN1C ZINC000420993408 419427137 /nfs/dbraw/zinc/42/71/37/419427137.db2.gz ATBYJVMNQOVPLL-WFASDCNBSA-N 0 3 320.393 1.948 20 5 DDBDHN CN(C[C@H]1CCCN1C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000421705312 419688543 /nfs/dbraw/zinc/68/85/43/419688543.db2.gz QZLAUXLJRUMRJM-CYBMUJFWSA-N 0 3 320.393 1.584 20 5 DDBDHN CN(C)CCOCCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412247463 419744473 /nfs/dbraw/zinc/74/44/73/419744473.db2.gz SHMTYUYNQRXEIT-LSDHHAIUSA-N 0 3 321.377 1.393 20 5 DDBDHN Cc1nn(C)c(C(=O)Nc2cccc(CN(C)C)c2)c1[N+](=O)[O-] ZINC000299140424 228959432 /nfs/dbraw/zinc/95/94/32/228959432.db2.gz HTJSLLQGKKBBFX-UHFFFAOYSA-N 0 3 317.349 1.951 20 5 DDBDHN CC1(C)CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000447871589 420808077 /nfs/dbraw/zinc/80/80/77/420808077.db2.gz LGEIZJGWYHECBI-ZDUSSCGKSA-N 0 3 307.350 1.626 20 5 DDBDHN CO[C@H]1C[C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000459741891 420862211 /nfs/dbraw/zinc/86/22/11/420862211.db2.gz CDIJCGSGZKNIGM-KGLIPLIRSA-N 0 3 319.361 1.741 20 5 DDBDHN CN[C@@H](CC(C)(C)C)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000449170390 420964509 /nfs/dbraw/zinc/96/45/09/420964509.db2.gz QSAPVIXQIFJPLS-LBPRGKRZSA-N 0 3 319.365 2.434 20 5 DDBDHN Cc1sc(S(=O)(=O)[N-]CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000489065436 421135589 /nfs/dbraw/zinc/13/55/89/421135589.db2.gz ABMHWBLFQRUVPI-UHFFFAOYSA-N 0 3 307.397 1.195 20 5 DDBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CCN(C2CCC2)C1 ZINC000561527859 421328762 /nfs/dbraw/zinc/32/87/62/421328762.db2.gz WEOSVLOZWMELPQ-GFCCVEGCSA-N 0 3 318.377 1.936 20 5 DDBDHN COc1c(C(=O)NCCN2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000527248556 421370935 /nfs/dbraw/zinc/37/09/35/421370935.db2.gz GPNDXDPCZCXVDW-LLVKDONJSA-N 0 3 307.350 1.675 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCCOC3)CC2)cn1 ZINC000532639955 421662736 /nfs/dbraw/zinc/66/27/36/421662736.db2.gz CPVVBSSQFQFHNR-CYBMUJFWSA-N 0 3 306.366 1.538 20 5 DDBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000556321742 421709015 /nfs/dbraw/zinc/70/90/15/421709015.db2.gz HARCNJZARQDTRO-HOSYDEDBSA-N 0 3 307.354 1.120 20 5 DDBDHN CC(=O)N1CC(N[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000572060933 421763231 /nfs/dbraw/zinc/76/32/31/421763231.db2.gz SWNKARLFEVDJDJ-SNVBAGLBSA-N 0 3 320.349 1.132 20 5 DDBDHN CN(C)C(=O)CCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000574627810 422144070 /nfs/dbraw/zinc/14/40/70/422144070.db2.gz AWAUWAKPNDIPSF-GFCCVEGCSA-N 0 3 321.381 1.344 20 5 DDBDHN Cc1cc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccn1 ZINC000574870886 422199482 /nfs/dbraw/zinc/19/94/82/422199482.db2.gz YCWPXLVWJIHAGJ-OAHLLOKOSA-N 0 3 317.345 1.828 20 5 DDBDHN C[C@H](N[C@H]1CCCN(C)[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000342737004 271495263 /nfs/dbraw/zinc/49/52/63/271495263.db2.gz NQNDZCHSFPLJQU-HUBLWGQQSA-N 0 3 320.393 1.994 20 5 DDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000346142384 272424872 /nfs/dbraw/zinc/42/48/72/272424872.db2.gz XYLHAEYFOCHILB-NEPJUHHUSA-N 0 3 306.366 1.632 20 5 DDBDHN CCS(=O)(=O)C[C@@H](C)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449138142 276388641 /nfs/dbraw/zinc/38/86/41/276388641.db2.gz HGWKBIXLHSDJMH-VXGBXAGGSA-N 0 3 314.407 1.939 20 5 DDBDHN C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050163263 278267530 /nfs/dbraw/zinc/26/75/30/278267530.db2.gz MYQVJFSRCOCQFD-QWRGUYRKSA-N 0 3 313.379 1.261 20 5 DDBDHN C[C@@]1(F)CNCCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000420270761 279168058 /nfs/dbraw/zinc/16/80/58/279168058.db2.gz UZHXJLZIMSIQEW-CQSZACIVSA-N 0 3 305.313 1.676 20 5 DDBDHN CC[C@@H](CNS(C)(=O)=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296658231 280145106 /nfs/dbraw/zinc/14/51/06/280145106.db2.gz ZNTCVBCUAYVASQ-JQWIXIFHSA-N 0 3 315.395 1.573 20 5 DDBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000125963176 281221656 /nfs/dbraw/zinc/22/16/56/281221656.db2.gz HCUHFPIWISGYEL-JTQLQIEISA-N 0 3 324.356 1.920 20 5 DDBDHN CN1CC[C@](O)(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000358059669 299060412 /nfs/dbraw/zinc/06/04/12/299060412.db2.gz SEDRCFHVRMCBAM-INIZCTEOSA-N 0 3 321.377 1.055 20 5 DDBDHN COCCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CC[C@H](C)C1 ZINC000362153847 300017807 /nfs/dbraw/zinc/01/78/07/300017807.db2.gz GIWMKFKJKPWSKO-UONOGXRCSA-N 0 3 323.393 1.894 20 5 DDBDHN NC(=O)c1ccc(CN2CCC[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000362454461 300067693 /nfs/dbraw/zinc/06/76/93/300067693.db2.gz QNQJGKAMIONJMU-KGLIPLIRSA-N 0 3 319.361 1.695 20 5 DDBDHN CCC[C@@H](C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N(C)C ZINC000364366910 300384974 /nfs/dbraw/zinc/38/49/74/300384974.db2.gz AESNPONYBJLGTP-OCCSQVGLSA-N 0 3 323.397 1.685 20 5 DDBDHN Cc1n[nH]c(C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299578647 300898550 /nfs/dbraw/zinc/89/85/50/300898550.db2.gz XEDPTULILQQYAX-GMTAPVOTSA-N 0 3 323.397 1.723 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000368351026 301008796 /nfs/dbraw/zinc/00/87/96/301008796.db2.gz ADTGRRZVQIYQJF-MRXNPFEDSA-N 0 3 319.361 1.771 20 5 DDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000370365181 301324790 /nfs/dbraw/zinc/32/47/90/301324790.db2.gz DQGOFOZHJCZOTP-LBPRGKRZSA-N 0 3 318.377 1.877 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000119137605 303052836 /nfs/dbraw/zinc/05/28/36/303052836.db2.gz WQLLFYOWECAABU-GFCCVEGCSA-N 0 3 321.381 1.419 20 5 DDBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NC[C@@H](C)S(C)(=O)=O ZINC000537940349 303381407 /nfs/dbraw/zinc/38/14/07/303381407.db2.gz FTRDFASDVJBZJN-VXGBXAGGSA-N 0 3 314.407 1.939 20 5 DDBDHN CNc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000538714004 303390232 /nfs/dbraw/zinc/39/02/32/303390232.db2.gz GFVUDZNREXXXAJ-XHDPSFHLSA-N 0 3 318.377 1.803 20 5 DDBDHN CS[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@@H]1N1CCCC1 ZINC000548364325 303585415 /nfs/dbraw/zinc/58/54/15/303585415.db2.gz GWFHRJFDVIQJSO-WDEREUQCSA-N 0 3 311.411 1.344 20 5 DDBDHN Cc1c(NC(=O)CCN2C[C@H](O)C3(CC3)C2)cccc1[N+](=O)[O-] ZINC000372358651 307168536 /nfs/dbraw/zinc/16/85/36/307168536.db2.gz NUEHCSSKQJCHBP-AWEZNQCLSA-N 0 3 319.361 1.689 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H](O)COCC1CC1 ZINC000563416474 307969515 /nfs/dbraw/zinc/96/95/15/307969515.db2.gz FZRTYOOBPYNCCC-DOMZBBRYSA-N 0 3 306.362 1.959 20 5 DDBDHN C[C@H](F)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000566121362 308044356 /nfs/dbraw/zinc/04/43/56/308044356.db2.gz FAZNSTNKRCBJLA-JTQLQIEISA-N 0 3 304.343 1.706 20 5 DDBDHN CC[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccncc1 ZINC000582778297 337153577 /nfs/dbraw/zinc/15/35/77/337153577.db2.gz PZTLDDIQPKLLLL-UONOGXRCSA-N 0 3 305.338 1.288 20 5 DDBDHN COC(=O)CC1(NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000583148449 337246233 /nfs/dbraw/zinc/24/62/33/337246233.db2.gz BPWVOLOZTIFAQM-LBPRGKRZSA-N 0 3 324.333 1.020 20 5 DDBDHN Cc1ccncc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000562998940 484328411 /nfs/dbraw/zinc/32/84/11/484328411.db2.gz VHARHSDKQHZEKK-AWEZNQCLSA-N 0 3 317.345 1.828 20 5 DDBDHN COc1cc(CN2[C@@H]3CC[C@H]2CN(C)C(=O)C3)ccc1[N+](=O)[O-] ZINC000451871408 533831025 /nfs/dbraw/zinc/83/10/25/533831025.db2.gz RJTGLJQXLYCUSO-OLZOCXBDSA-N 0 3 319.361 1.799 20 5 DDBDHN COc1cc(C[NH2+]C[C@H]2CCN(C)C(=O)C2)c([N+](=O)[O-])cc1[O-] ZINC000424182867 533883998 /nfs/dbraw/zinc/88/39/98/533883998.db2.gz ALVWHQCDFXCTCU-JTQLQIEISA-N 0 3 323.349 1.267 20 5 DDBDHN COc1cc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)c([N+](=O)[O-])cc1[O-] ZINC000414572660 533898147 /nfs/dbraw/zinc/89/81/47/533898147.db2.gz LODZMVCTYDMASO-ZYHUDNBSSA-N 0 3 310.350 1.950 20 5 DDBDHN C[C@H]1COCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000331928304 534022407 /nfs/dbraw/zinc/02/24/07/534022407.db2.gz DCCVQIMWZFLELA-OLZOCXBDSA-N 0 3 310.350 1.303 20 5 DDBDHN COC(=O)c1cccc(OC[C@H](O)CN(C)C2CC2)c1[N+](=O)[O-] ZINC000414163800 534280004 /nfs/dbraw/zinc/28/00/04/534280004.db2.gz GOUIPMMWBHIYEH-LLVKDONJSA-N 0 3 324.333 1.215 20 5 DDBDHN CCN1CCC[C@@H]1CN(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330990984 529064085 /nfs/dbraw/zinc/06/40/85/529064085.db2.gz AUQMGFJLBIYUPT-GFCCVEGCSA-N 0 3 323.397 1.469 20 5 DDBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@@H+]1C ZINC000820665054 599589765 /nfs/dbraw/zinc/58/97/65/599589765.db2.gz DLEOMGJHWNNZIY-DTWKUNHWSA-N 0 3 318.341 1.065 20 5 DDBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1C ZINC000820665054 599589768 /nfs/dbraw/zinc/58/97/68/599589768.db2.gz DLEOMGJHWNNZIY-DTWKUNHWSA-N 0 3 318.341 1.065 20 5 DDBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1C ZINC000820665054 599589770 /nfs/dbraw/zinc/58/97/70/599589770.db2.gz DLEOMGJHWNNZIY-DTWKUNHWSA-N 0 3 318.341 1.065 20 5 DDBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1C ZINC000820665054 599589772 /nfs/dbraw/zinc/58/97/72/599589772.db2.gz DLEOMGJHWNNZIY-DTWKUNHWSA-N 0 3 318.341 1.065 20 5 DDBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000790881087 699601590 /nfs/dbraw/zinc/60/15/90/699601590.db2.gz VIXFANDMJXABPY-VIFPVBQESA-N 0 3 321.424 1.665 20 5 DDBDHN CC[C@@H]1CN(C)CCN1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000840092512 701965388 /nfs/dbraw/zinc/96/53/88/701965388.db2.gz WJGLVTXYVGKGIB-GFCCVEGCSA-N 0 3 318.381 1.631 20 5 DDBDHN CC(COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[N+](=O)[O-] ZINC000813100269 702290165 /nfs/dbraw/zinc/29/01/65/702290165.db2.gz PZOKHCXKYZIMMG-SSDOTTSWSA-N 0 3 312.234 1.188 20 5 DDBDHN CC(COC(=O)c1ccc(=O)n(-c2cccc(F)c2)c1)[N+](=O)[O-] ZINC000813102503 702290983 /nfs/dbraw/zinc/29/09/83/702290983.db2.gz GTUNMSRIMSGKEM-SNVBAGLBSA-N 0 3 320.276 1.799 20 5 DDBDHN CC(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)[N+](=O)[O-] ZINC000813103992 702291833 /nfs/dbraw/zinc/29/18/33/702291833.db2.gz VUVJPILKIYXBNZ-SECBINFHSA-N 0 3 305.290 1.476 20 5 DDBDHN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813106382 702293001 /nfs/dbraw/zinc/29/30/01/702293001.db2.gz BXXBBJHRLRGSAW-ABAIWWIYSA-N 0 3 320.345 1.731 20 5 DDBDHN CSc1nc(C)c(CCC(=O)OCC(C)[N+](=O)[O-])c(C)n1 ZINC000813106228 702293189 /nfs/dbraw/zinc/29/31/89/702293189.db2.gz AZVUWQCPUQOUBS-MRVPVSSYSA-N 0 3 313.379 1.956 20 5 DDBDHN CC(COC(=O)[C@H]1CCCCN1C(=O)c1ccco1)[N+](=O)[O-] ZINC000813106800 702294313 /nfs/dbraw/zinc/29/43/13/702294313.db2.gz IBMFGZCVYJEDJJ-GHMZBOCLSA-N 0 3 310.306 1.483 20 5 DDBDHN Cc1cc(=O)oc2cc(OCC(=O)OCC(C)[N+](=O)[O-])ccc12 ZINC000813108538 702295497 /nfs/dbraw/zinc/29/54/97/702295497.db2.gz ZNKGCLHEPZGDLS-JTQLQIEISA-N 0 3 321.285 1.689 20 5 DDBDHN CC(COC(=O)c1c[nH]nc1-c1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000813112321 702298269 /nfs/dbraw/zinc/29/82/69/702298269.db2.gz FGJTXNZGGGQSSJ-QMMMGPOBSA-N 0 3 319.273 1.627 20 5 DDBDHN CC(COC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)[N+](=O)[O-] ZINC000813113042 702298293 /nfs/dbraw/zinc/29/82/93/702298293.db2.gz WVKIGMVWLNSQOR-RYUDHWBXSA-N 0 3 313.354 1.123 20 5 DDBDHN CC(C)[C@@H](C(=O)OCC(C)[N+](=O)[O-])N1Cc2ccccc2C1=O ZINC000851036601 703774841 /nfs/dbraw/zinc/77/48/41/703774841.db2.gz KVBOPUPVNXJEAU-RISCZKNCSA-N 0 3 320.345 1.875 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)c1 ZINC000869779994 703850289 /nfs/dbraw/zinc/85/02/89/703850289.db2.gz BBOQSRCJMJPNNP-LBPRGKRZSA-N 0 3 321.377 1.478 20 5 DDBDHN C[C@@H]1C[C@@H]1N1C[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000819123036 704072503 /nfs/dbraw/zinc/07/25/03/704072503.db2.gz SLFJPZLAWGPPRF-WAZAZEMKSA-N 0 3 319.361 1.227 20 5 DDBDHN Cc1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c(=O)n1C ZINC000819270025 704097923 /nfs/dbraw/zinc/09/79/23/704097923.db2.gz SBUVNMUEOHUJFF-HNNXBMFYSA-N 0 3 317.345 1.425 20 5 DDBDHN COC(=O)Cc1ccc(N(C)CC2CN(C)C2)c([N+](=O)[O-])c1 ZINC000853825013 704321741 /nfs/dbraw/zinc/32/17/41/704321741.db2.gz VLCBSYBJVMHRBE-UHFFFAOYSA-N 0 3 307.350 1.308 20 5 DDBDHN C/C(=C/C(=O)N[C@H](CO)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000854464404 704401722 /nfs/dbraw/zinc/40/17/22/704401722.db2.gz KCWPVELHLYUVIX-ZWXCPPHNSA-N 0 3 307.350 1.037 20 5 DDBDHN CC[C@@H]([NH3+])C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764888 704622000 /nfs/dbraw/zinc/62/20/00/704622000.db2.gz DANMPTANBGRHGP-MRVPVSSYSA-N 0 3 303.265 1.420 20 5 DDBDHN CC(COC(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000860777154 705280033 /nfs/dbraw/zinc/28/00/33/705280033.db2.gz LIVASDCLDZCSPD-MWLCHTKSSA-N 0 3 314.338 1.808 20 5 DDBDHN CN(CCO)CCN(C)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000825526995 705687972 /nfs/dbraw/zinc/68/79/72/705687972.db2.gz KVCMCOYSMUXBHL-HUUCEWRRSA-N 0 3 321.377 1.081 20 5 DDBDHN CC(=O)c1ccc(N2CCC[C@](O)(CN(C)C)C2)c([N+](=O)[O-])c1 ZINC000865924916 706565426 /nfs/dbraw/zinc/56/54/26/706565426.db2.gz YAUPPIMTXJTLEZ-INIZCTEOSA-N 0 3 321.377 1.690 20 5 DDBDHN C[C@]1(C(F)(F)F)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000880001596 706850231 /nfs/dbraw/zinc/85/02/31/706850231.db2.gz RCJQICRFJDBYKI-MNOVXSKESA-N 0 3 322.287 1.427 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCN1C ZINC000928447864 713201134 /nfs/dbraw/zinc/20/11/34/713201134.db2.gz AHXPGXYLZZGPRL-ZANVPECISA-N 0 3 302.334 1.899 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1C ZINC000928453740 713204096 /nfs/dbraw/zinc/20/40/96/713204096.db2.gz PVXJLFAKZKTQIB-ONGXEEELSA-N 0 3 321.333 1.188 20 5 DDBDHN CN1CCC(N(CCO)C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000911937451 711077694 /nfs/dbraw/zinc/07/76/94/711077694.db2.gz LIDXGSNRVMMXEQ-UHFFFAOYSA-N 0 3 321.377 1.052 20 5 DDBDHN Cc1[nH]nc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1C ZINC000894580225 711191344 /nfs/dbraw/zinc/19/13/44/711191344.db2.gz RDIRKPFZLJHKNR-UHFFFAOYSA-N 0 3 304.354 1.968 20 5 DDBDHN CN(C)CCONC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908528208 712798624 /nfs/dbraw/zinc/79/86/24/712798624.db2.gz NDZAXSJPWKNPKQ-UHFFFAOYSA-N 0 3 305.693 1.610 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000921681048 713841290 /nfs/dbraw/zinc/84/12/90/713841290.db2.gz PPKIZLWIFJQNTH-FZMZJTMJSA-N 0 3 306.366 1.529 20 5 DDBDHN CN(C)C(=O)c1cccc(CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC000921863315 713889445 /nfs/dbraw/zinc/88/94/45/713889445.db2.gz UMBFVCVYJGVZRP-UHFFFAOYSA-N 0 3 317.349 1.283 20 5 DDBDHN Cc1c(CNC(=O)N[C@@H]2CCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000922167841 713980756 /nfs/dbraw/zinc/98/07/56/713980756.db2.gz GYRKRBHXFFHQOL-WCQYABFASA-N 0 3 306.366 1.795 20 5 DDBDHN Cc1nc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)co1 ZINC001126161302 738433407 /nfs/dbraw/zinc/43/34/07/738433407.db2.gz GYEYXQCEYOBPIE-UHFFFAOYSA-N 0 3 304.306 1.411 20 5 DDBDHN O=C(NCC1CN(Cc2cccc(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662074 747336559 /nfs/dbraw/zinc/33/65/59/747336559.db2.gz SZAAYHOZDLDWTF-ZIAGYGMSSA-N 0 3 307.325 1.039 20 5 DDBDHN Cc1cc(N2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)nc(C)n1 ZINC001169027854 762184448 /nfs/dbraw/zinc/18/44/48/762184448.db2.gz RDYVFLNCCWAYPI-LSDHHAIUSA-N 0 3 319.409 1.661 20 5 DDBDHN CCOC(=O)c1cnc(-n2ccc([C@@H](C)N)n2)c([N+](=O)[O-])c1 ZINC001169228107 762289341 /nfs/dbraw/zinc/28/93/41/762289341.db2.gz MSSLXIFCINMBMB-MRVPVSSYSA-N 0 3 305.294 1.372 20 5 DDBDHN CCN(CC)CC(=O)N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097184647 756957245 /nfs/dbraw/zinc/95/72/45/756957245.db2.gz JVUUEDUBXAZTEN-BETUJISGSA-N 0 3 320.393 1.996 20 5 DDBDHN CCN(CC)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097185203 756957273 /nfs/dbraw/zinc/95/72/73/756957273.db2.gz STSVJVAMAGLKMZ-OKILXGFUSA-N 0 3 320.393 1.996 20 5 DDBDHN Cc1cncn1CC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001131376865 768101375 /nfs/dbraw/zinc/10/13/75/768101375.db2.gz ADQKLBXIKYTUAH-UHFFFAOYSA-N 0 3 323.378 1.067 20 5 DDBDHN CCOC(=O)C1=C(Nc2cc([N+](=O)[O-])c(C)cn2)CCNC1 ZINC001170516796 767748278 /nfs/dbraw/zinc/74/82/78/767748278.db2.gz GPCNQYIHVCGPAF-UHFFFAOYSA-N 0 3 306.322 1.521 20 5 DDBDHN O=C(N[C@@]12CCN(C1)CCC2)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001132686108 769092631 /nfs/dbraw/zinc/09/26/31/769092631.db2.gz AXSCIQZKDQCGNA-HNNXBMFYSA-N 0 3 315.333 1.439 20 5 DDBDHN O=C(Cc1cscn1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001134857158 771210199 /nfs/dbraw/zinc/21/01/99/771210199.db2.gz XUDNXLWKHQGZBR-UHFFFAOYSA-N 0 3 320.374 1.500 20 5 DDBDHN CCn1cnc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001148033355 773340001 /nfs/dbraw/zinc/34/00/01/773340001.db2.gz LGRTVARVEXICMB-UHFFFAOYSA-N 0 3 317.349 1.331 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C2(N(C)C)CCC2)n1 ZINC001093926442 775218373 /nfs/dbraw/zinc/21/83/73/775218373.db2.gz BRIYIHMTFJMVKJ-UHFFFAOYSA-N 0 3 321.381 1.311 20 5 DDBDHN Cc1cc(N(C)CCNC(=O)CN(C)C(C)C)ncc1[N+](=O)[O-] ZINC001100149724 775735686 /nfs/dbraw/zinc/73/56/86/775735686.db2.gz NERZPTIUSCQDRI-UHFFFAOYSA-N 0 3 323.397 1.191 20 5 DDBDHN CCCN(C)CC(=O)NCCCNc1ncccc1[N+](=O)[O-] ZINC001094517270 775973826 /nfs/dbraw/zinc/97/38/26/775973826.db2.gz IZXIBEKCZAFFHU-UHFFFAOYSA-N 0 3 309.370 1.250 20 5 DDBDHN CCC(=O)NCCCCCCNCc1c([N+](=O)[O-])ncn1C ZINC001177682936 778693828 /nfs/dbraw/zinc/69/38/28/778693828.db2.gz HROXSDVGNOAXPJ-UHFFFAOYSA-N 0 3 311.386 1.505 20 5 DDBDHN CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1nc(CN)cc1C ZINC001156043188 862668482 /nfs/dbraw/zinc/66/84/82/862668482.db2.gz WPAGARPOPFKYBH-UHFFFAOYSA-N 0 3 305.294 1.119 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C[C@@H]2CNCCO2)n1 ZINC001328413066 862959096 /nfs/dbraw/zinc/95/90/96/862959096.db2.gz OKULHSVCJXVPMJ-LLVKDONJSA-N 0 3 318.333 1.793 20 5 DDBDHN Cn1cccc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001123640962 859339374 /nfs/dbraw/zinc/33/93/74/859339374.db2.gz CTPJHCZYYPUAPN-UHFFFAOYSA-N 0 3 302.334 1.453 20 5 DDBDHN CN(C)CCONC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001328691094 863151756 /nfs/dbraw/zinc/15/17/56/863151756.db2.gz HWXVEGNSGBRFKY-UHFFFAOYSA-N 0 3 314.317 1.023 20 5 DDBDHN CCOC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccc(CN)nc1 ZINC001160402457 865816885 /nfs/dbraw/zinc/81/68/85/865816885.db2.gz QGGWAQYPWKFUQE-UHFFFAOYSA-N 0 3 317.305 1.764 20 5 DDBDHN COc1ccc(OCCN2C3CCC2(CO)CC3)c([N+](=O)[O-])c1 ZINC001333761268 866990369 /nfs/dbraw/zinc/99/03/69/866990369.db2.gz YJJNIEIGVVOVKQ-UHFFFAOYSA-N 0 3 322.361 1.972 20 5 DDBDHN C[NH+](C)[C@@H]1CC[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@@H]2C1 ZINC001333874922 867101883 /nfs/dbraw/zinc/10/18/83/867101883.db2.gz DCHXNAOIEJINDD-SDDRHHMPSA-N 0 3 306.366 1.862 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@]2(C)CCCN(C)C2)n1 ZINC001162338566 867469312 /nfs/dbraw/zinc/46/93/12/867469312.db2.gz BWBOMHLQUINSNY-CQSZACIVSA-N 0 3 308.338 1.673 20 5 DDBDHN CN(CCO)CCN(C)c1ccc2ncccc2c1[N+](=O)[O-] ZINC001335073543 868044654 /nfs/dbraw/zinc/04/46/54/868044654.db2.gz VTTKUPQLTKRTKK-UHFFFAOYSA-N 0 3 304.350 1.503 20 5 DDBDHN Cc1cccc(NC[C@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001325554764 868132723 /nfs/dbraw/zinc/13/27/23/868132723.db2.gz JFPUNWWYLPMSHE-JHJVBQTASA-N 0 3 304.350 1.458 20 5 DDBDHN Cc1n[nH]cc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001163672401 868615839 /nfs/dbraw/zinc/61/58/39/868615839.db2.gz XFOCTPGQAGXDOR-UHFFFAOYSA-N 0 3 323.378 1.598 20 5 DDBDHN Cc1cc(C(=O)N2CCC3(CC2)CNCCO3)ccc1[N+](=O)[O-] ZINC001341207078 871556366 /nfs/dbraw/zinc/55/63/66/871556366.db2.gz TXENGLPIWXWZMV-UHFFFAOYSA-N 0 3 319.361 1.498 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@H](C)CN[C@H](C)[C@@H]1C ZINC001344845980 873143063 /nfs/dbraw/zinc/14/30/63/873143063.db2.gz HRYNSSNXOUBUDQ-MXWKQRLJSA-N 0 3 309.370 1.087 20 5 DDBDHN COc1cc(COCCN2CC[C@@H](OC)C2)cc([N+](=O)[O-])c1 ZINC001223393839 880944656 /nfs/dbraw/zinc/94/46/56/880944656.db2.gz FQCSYSHIKQAMLA-CQSZACIVSA-N 0 3 310.350 1.841 20 5 DDBDHN COc1ccc(CN(C)C)cc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001290416327 913427676 /nfs/dbraw/zinc/42/76/76/913427676.db2.gz SJDOOQGCQPUYNX-UHFFFAOYSA-N 0 3 319.321 1.640 20 5 DDBDHN COC(=O)CCC(=O)CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254538496 896494120 /nfs/dbraw/zinc/49/41/20/896494120.db2.gz WFJUHNBAXBCEII-NSHDSACASA-N 0 3 308.334 1.638 20 5 DDBDHN O=C1NCC2(CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)O1 ZINC001254602836 896526629 /nfs/dbraw/zinc/52/66/29/896526629.db2.gz JCUWDAOECHEVNJ-CQSZACIVSA-N 0 3 317.345 1.636 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000278453619 214162999 /nfs/dbraw/zinc/16/29/99/214162999.db2.gz RDBVZNBEWGGPDU-ONGXEEELSA-N 0 3 307.354 1.047 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000278453619 214163000 /nfs/dbraw/zinc/16/30/00/214163000.db2.gz RDBVZNBEWGGPDU-ONGXEEELSA-N 0 3 307.354 1.047 20 5 DDBDHN CSC[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000249464846 282158144 /nfs/dbraw/zinc/15/81/44/282158144.db2.gz QANAIYGPYLXJFD-ZYHUDNBSSA-N 0 3 312.395 1.200 20 5 DDBDHN C[C@H](O)CN1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000249499773 282160979 /nfs/dbraw/zinc/16/09/79/282160979.db2.gz ICOIXYYZYNDWIM-KBPBESRZSA-N 0 3 323.393 1.361 20 5 DDBDHN CO[C@@H]1CCC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451631495 231144387 /nfs/dbraw/zinc/14/43/87/231144387.db2.gz LSERYMBMZUSZHO-UKRRQHHQSA-N 0 3 319.361 1.641 20 5 DDBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(O)c1 ZINC000181495885 199305847 /nfs/dbraw/zinc/30/58/47/199305847.db2.gz PWDYKUJHGDMSIO-NSHDSACASA-N 0 3 303.318 1.813 20 5 DDBDHN CN1CCN(CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000299466355 529771428 /nfs/dbraw/zinc/77/14/28/529771428.db2.gz ZNZRBYVYGQAHHV-UHFFFAOYSA-N 0 3 323.353 1.552 20 5 DDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000286647690 219102818 /nfs/dbraw/zinc/10/28/18/219102818.db2.gz BOHVDUBEHJGORS-ABAIWWIYSA-N 0 3 318.377 1.876 20 5 DDBDHN CSCC[C@H](N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286856291 219196812 /nfs/dbraw/zinc/19/68/12/219196812.db2.gz XMLWAPIGLSGPKI-VIFPVBQESA-N 0 3 309.351 1.490 20 5 DDBDHN Cc1ccc([C@H](C)NC(=O)C(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000177855404 186194128 /nfs/dbraw/zinc/19/41/28/186194128.db2.gz MBQGZNMGOYHGIR-VHSXEESVSA-N 0 3 314.363 1.514 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](O)C1 ZINC000041886287 352317588 /nfs/dbraw/zinc/31/75/88/352317588.db2.gz YPAKYRCCMLCUDM-CYBMUJFWSA-N 0 3 307.350 1.689 20 5 DDBDHN Cc1nn(CCC(=O)NC[C@@H](C)N(C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000057703849 352824348 /nfs/dbraw/zinc/82/43/48/352824348.db2.gz XYJMGRRSNZLRFR-SNVBAGLBSA-N 0 3 323.397 1.397 20 5 DDBDHN C[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)N(C)C1CC1 ZINC000057703845 352825021 /nfs/dbraw/zinc/82/50/21/352825021.db2.gz IQSFINHIQPVDEM-SNVBAGLBSA-N 0 3 309.370 1.125 20 5 DDBDHN CN(C)C/C=C\C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000491861387 234317914 /nfs/dbraw/zinc/31/79/14/234317914.db2.gz AMLVKVMXTDCNHG-MVZIDQBPSA-N 0 3 319.365 1.120 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCCCC1 ZINC000115432935 353986465 /nfs/dbraw/zinc/98/64/65/353986465.db2.gz SCJHDOPWQRLCRO-UHFFFAOYSA-N 0 3 307.350 1.819 20 5 DDBDHN O=C(CNC1CC1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000237877685 354347928 /nfs/dbraw/zinc/34/79/28/354347928.db2.gz CFOCVMLBXIRBLP-UHFFFAOYSA-N 0 3 301.306 1.675 20 5 DDBDHN CN(C)CCCS(=O)(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000601314735 358491920 /nfs/dbraw/zinc/49/19/20/358491920.db2.gz OWEFUYOXEGBDFH-UHFFFAOYSA-N 0 3 315.395 1.008 20 5 DDBDHN Cc1ccc(C(=O)N[C@H](CO)CN2CCCC2)cc1[N+](=O)[O-] ZINC000588867403 354944532 /nfs/dbraw/zinc/94/45/32/354944532.db2.gz UYZDZQDHWGCFPD-ZDUSSCGKSA-N 0 3 307.350 1.090 20 5 DDBDHN CCN1CCCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000589494569 354996285 /nfs/dbraw/zinc/99/62/85/354996285.db2.gz PNWGAXSQWDLJAW-UHFFFAOYSA-N 0 3 321.377 1.909 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2CN(C)C[C@H]21 ZINC000590010373 355039263 /nfs/dbraw/zinc/03/92/63/355039263.db2.gz CIDCVFWUCWCRRI-SWLSCSKDSA-N 0 3 318.377 1.478 20 5 DDBDHN CN1C[C@@H]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590010575 355040445 /nfs/dbraw/zinc/04/04/45/355040445.db2.gz PDPQJENEMDJWFL-SMDDNHRTSA-N 0 3 304.350 1.169 20 5 DDBDHN CCC[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccn1 ZINC000591734507 355374645 /nfs/dbraw/zinc/37/46/45/355374645.db2.gz IJWMIWFACWXQJW-KBPBESRZSA-N 0 3 319.365 1.678 20 5 DDBDHN CC(C)[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCN1 ZINC000592246392 355546724 /nfs/dbraw/zinc/54/67/24/355546724.db2.gz LUAXPXPLEUJQSC-CYBMUJFWSA-N 0 3 317.349 1.541 20 5 DDBDHN O=[N+]([O-])c1cc(CNC2CCN([C@@H]3CCOC3)CC2)cs1 ZINC000594992129 356369404 /nfs/dbraw/zinc/36/94/04/356369404.db2.gz BEBDQUFPDIPWTD-CYBMUJFWSA-N 0 3 311.407 1.999 20 5 DDBDHN COc1cc(C[NH2+]CC(O)(C2CC2)C2CC2)c([N+](=O)[O-])cc1[O-] ZINC000594983081 356368489 /nfs/dbraw/zinc/36/84/89/356368489.db2.gz JVCXQWMTMIDKAS-UHFFFAOYSA-N 0 3 322.361 1.950 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CN(C)CCN1C ZINC000595017608 356372994 /nfs/dbraw/zinc/37/29/94/356372994.db2.gz KSTURMJKVCDXLH-TZMCWYRMSA-N 0 3 322.409 1.500 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCN1CCC(O)CC1 ZINC000595054307 356376714 /nfs/dbraw/zinc/37/67/14/356376714.db2.gz ZHMZKKHBJBYRJN-GFCCVEGCSA-N 0 3 323.393 1.711 20 5 DDBDHN CC[C@H](NC[C@@]1(OCCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595077357 356378823 /nfs/dbraw/zinc/37/88/23/356378823.db2.gz HHTNEFFLQFGPPA-HOTGVXAUSA-N 0 3 324.377 1.804 20 5 DDBDHN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000595121122 356386132 /nfs/dbraw/zinc/38/61/32/356386132.db2.gz HGUZGMDVKMRHRB-ZETCQYMHSA-N 0 3 307.759 1.134 20 5 DDBDHN CN(C)CCN(CC(=O)N(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000597206519 357092800 /nfs/dbraw/zinc/09/28/00/357092800.db2.gz UHPZAGACLZVWHY-UHFFFAOYSA-N 0 3 308.382 1.047 20 5 DDBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000598266498 357514612 /nfs/dbraw/zinc/51/46/12/357514612.db2.gz YTPJBZWPRRWAHB-ZDUSSCGKSA-N 0 3 323.397 1.418 20 5 DDBDHN CCCN1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000598341379 357543840 /nfs/dbraw/zinc/54/38/40/357543840.db2.gz ADCAFGLKQWERSU-LBPRGKRZSA-N 0 3 309.370 1.090 20 5 DDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000178728983 198918307 /nfs/dbraw/zinc/91/83/07/198918307.db2.gz YHQHIKWJSVBZTJ-ZDUSSCGKSA-N 0 3 315.757 1.291 20 5 DDBDHN CCN1CCC(Nc2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598587006 357641662 /nfs/dbraw/zinc/64/16/62/357641662.db2.gz GPOWNOKRONUKHB-UHFFFAOYSA-N 0 3 308.338 1.673 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CCN[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598569234 357635165 /nfs/dbraw/zinc/63/51/65/357635165.db2.gz BZBAGIBJHCTSKN-SNVBAGLBSA-N 0 3 309.370 1.511 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CCN[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598569234 357635166 /nfs/dbraw/zinc/63/51/66/357635166.db2.gz BZBAGIBJHCTSKN-SNVBAGLBSA-N 0 3 309.370 1.511 20 5 DDBDHN COC(=O)COc1ccc(CN[C@H]2C[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000599015825 357794602 /nfs/dbraw/zinc/79/46/02/357794602.db2.gz PSSSEXXVJJWCJA-HAQNSBGRSA-N 0 3 324.333 1.414 20 5 DDBDHN CCn1nncc1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599062872 357805588 /nfs/dbraw/zinc/80/55/88/357805588.db2.gz WIQGPVOKRXNNTE-CHWSQXEVSA-N 0 3 319.369 1.676 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCN1CC[C@@H](O)C1 ZINC000599085291 357810448 /nfs/dbraw/zinc/81/04/48/357810448.db2.gz ORZYPVSBWGZMAV-WCQYABFASA-N 0 3 309.366 1.321 20 5 DDBDHN CC1(N2CCOCC2)CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000599160260 357833192 /nfs/dbraw/zinc/83/31/92/357833192.db2.gz KVQNDTBDSUCXJC-UHFFFAOYSA-N 0 3 322.365 1.387 20 5 DDBDHN CN1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000179338573 199017845 /nfs/dbraw/zinc/01/78/45/199017845.db2.gz KGDKJGXCIKJHIH-RISCZKNCSA-N 0 3 315.333 1.493 20 5 DDBDHN COC(=O)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@@H]2CCC[C@H]21 ZINC000599661225 358013701 /nfs/dbraw/zinc/01/37/01/358013701.db2.gz TVCUSCRLCKCBBO-YNEHKIRRSA-N 0 3 322.365 1.455 20 5 DDBDHN C[C@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180531269 199172120 /nfs/dbraw/zinc/17/21/20/199172120.db2.gz WCYCXPHWKCXJRY-JTQLQIEISA-N 0 3 307.354 1.034 20 5 DDBDHN CN1CC[C@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000180838236 199216115 /nfs/dbraw/zinc/21/61/15/199216115.db2.gz XRPMOQFJBMVXQJ-SECBINFHSA-N 0 3 307.306 1.005 20 5 DDBDHN COC[C@@]1(C(=O)NCc2ccccc2[N+](=O)[O-])CCCCN1 ZINC000602439243 358977082 /nfs/dbraw/zinc/97/70/82/358977082.db2.gz INJGVWGMXDMLQE-OAHLLOKOSA-N 0 3 307.350 1.370 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602673577 359117893 /nfs/dbraw/zinc/11/78/93/359117893.db2.gz WAVQSHPJGFRCTJ-GWCFXTLKSA-N 0 3 302.334 1.872 20 5 DDBDHN C[C@@H]1OCC[C@H]1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000602837530 359227781 /nfs/dbraw/zinc/22/77/81/359227781.db2.gz ONSKEDOGUJJSSX-STQMWFEESA-N 0 3 306.366 1.537 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN1CCCC1 ZINC000603054251 359379393 /nfs/dbraw/zinc/37/93/93/359379393.db2.gz WMNZOYUSJTVJPQ-CYBMUJFWSA-N 0 3 321.377 1.398 20 5 DDBDHN CC1(CO)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000186975547 200042731 /nfs/dbraw/zinc/04/27/31/200042731.db2.gz FHQBZMASAIMARX-CQSZACIVSA-N 0 3 324.377 1.429 20 5 DDBDHN CN(C)CC1(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCC1 ZINC000281059876 216053002 /nfs/dbraw/zinc/05/30/02/216053002.db2.gz LGXRQCNWCSXLCS-UHFFFAOYSA-N 0 3 321.333 1.538 20 5 DDBDHN CN1CCC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000609257579 360277314 /nfs/dbraw/zinc/27/73/14/360277314.db2.gz BRNUSBPNJJNBCF-CQSZACIVSA-N 0 3 320.393 1.997 20 5 DDBDHN CCN(CCC(F)(F)F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610368178 360423094 /nfs/dbraw/zinc/42/30/94/360423094.db2.gz VKZXESYZRYGLJS-SNVBAGLBSA-N 0 3 310.276 1.427 20 5 DDBDHN CN1CCC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000611195856 360656258 /nfs/dbraw/zinc/65/62/58/360656258.db2.gz YXFPSHHEEFAWTN-SNVBAGLBSA-N 0 3 302.334 1.900 20 5 DDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000618923051 363802483 /nfs/dbraw/zinc/80/24/83/363802483.db2.gz BUARQHZQJRDPRP-INIZCTEOSA-N 0 3 321.377 1.052 20 5 DDBDHN CC(C)(O)CN1CCCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000376484073 307245557 /nfs/dbraw/zinc/24/55/57/307245557.db2.gz ILHUYGDQVPKWKT-UHFFFAOYSA-N 0 3 308.382 1.460 20 5 DDBDHN COC(=O)c1cc(NC(=O)[C@@]2(F)CCNC2)cc([N+](=O)[O-])c1 ZINC000377145495 307264431 /nfs/dbraw/zinc/26/44/31/307264431.db2.gz WROXHCQZKRCUHU-CYBMUJFWSA-N 0 3 311.269 1.022 20 5 DDBDHN C[C@@H](NC(=O)[C@@H](N)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000261899320 203147740 /nfs/dbraw/zinc/14/77/40/203147740.db2.gz WJRBMFGKOJNNGF-YGRLFVJLSA-N 0 3 307.350 1.526 20 5 DDBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1N1CCCC1 ZINC000274977255 212054197 /nfs/dbraw/zinc/05/41/97/212054197.db2.gz BEJLSWMTYBERAA-RYUDHWBXSA-N 0 3 324.406 1.575 20 5 DDBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000266320080 205263360 /nfs/dbraw/zinc/26/33/60/205263360.db2.gz RVGDKYMPBQVQQS-GRYCIOLGSA-N 0 3 307.350 1.936 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC(C)(C)OCCO ZINC000288381577 220122028 /nfs/dbraw/zinc/12/20/28/220122028.db2.gz GCPZHDXFKJQRKC-UHFFFAOYSA-N 0 3 312.366 1.871 20 5 DDBDHN C[C@H]([NH3+])CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000063170832 184275723 /nfs/dbraw/zinc/27/57/23/184275723.db2.gz ZGIBQLDEKLXBME-ZETCQYMHSA-N 0 3 307.759 1.264 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1CCCC[C@H]1C ZINC000065867576 184381717 /nfs/dbraw/zinc/38/17/17/184381717.db2.gz JITQFLYFCGNLKI-LLVKDONJSA-N 0 3 309.370 1.090 20 5 DDBDHN CNc1c(C(=O)NC[C@@](C)(O)CCN(C)C)cccc1[N+](=O)[O-] ZINC000420022031 533042522 /nfs/dbraw/zinc/04/25/22/533042522.db2.gz VIIMAVIPMHBEIO-HNNXBMFYSA-N 0 3 324.381 1.069 20 5 DDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)Cn1cccn1 ZINC000352545625 285130811 /nfs/dbraw/zinc/13/08/11/285130811.db2.gz YSGPKOGIOJBVIV-CQSZACIVSA-N 0 3 304.350 1.327 20 5 DDBDHN Cn1c(=O)oc2cc(CNCCn3cc([N+](=O)[O-])cn3)ccc21 ZINC000352672552 285215386 /nfs/dbraw/zinc/21/53/86/285215386.db2.gz UGQZJEQGSIIFPW-UHFFFAOYSA-N 0 3 317.305 1.026 20 5 DDBDHN CC(C)C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000120739901 195227576 /nfs/dbraw/zinc/22/75/76/195227576.db2.gz ZLTBJHQGTIBLGW-UHFFFAOYSA-N 0 3 301.368 1.119 20 5 DDBDHN COCCN(C)CCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000044521397 407025114 /nfs/dbraw/zinc/02/51/14/407025114.db2.gz BZANDWZMHNXYIJ-UHFFFAOYSA-N 0 3 301.368 1.354 20 5 DDBDHN Cc1ccc(NC(=O)C(=O)NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000048773555 407106845 /nfs/dbraw/zinc/10/68/45/407106845.db2.gz APUHZXUOGGEXIB-UHFFFAOYSA-N 0 3 320.349 1.052 20 5 DDBDHN COCCN(C)CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000079670138 407060641 /nfs/dbraw/zinc/06/06/41/407060641.db2.gz QAPJHHFQSPGDAQ-UHFFFAOYSA-N 0 3 324.381 1.362 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]2)cc1C ZINC000053254418 407165020 /nfs/dbraw/zinc/16/50/20/407165020.db2.gz XBWGGGWTXYAYOR-NSHDSACASA-N 0 3 313.379 1.242 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000068011971 407293494 /nfs/dbraw/zinc/29/34/94/407293494.db2.gz NQJRFKWOPHTPNQ-SNVBAGLBSA-N 0 3 310.329 1.530 20 5 DDBDHN C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H](C)C1 ZINC000068084340 407294286 /nfs/dbraw/zinc/29/42/86/407294286.db2.gz STEKDNZZAHAXKO-RYUDHWBXSA-N 0 3 309.370 1.028 20 5 DDBDHN CN1CCC[C@@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000108343040 407384855 /nfs/dbraw/zinc/38/48/55/407384855.db2.gz NWWYVTHUXKMEJE-JTQLQIEISA-N 0 3 317.349 1.543 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000111321321 407407466 /nfs/dbraw/zinc/40/74/66/407407466.db2.gz HUAFIPJOXJLXGC-KNUOEEMSSA-N 0 3 322.361 1.322 20 5 DDBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN1C ZINC000127915725 407478822 /nfs/dbraw/zinc/47/88/22/407478822.db2.gz DMVIHVFDNNADGT-PWSUYJOCSA-N 0 3 306.366 1.732 20 5 DDBDHN CN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000271063462 407493858 /nfs/dbraw/zinc/49/38/58/407493858.db2.gz TUTUCRVLOMYTLN-AWEZNQCLSA-N 0 3 323.393 1.361 20 5 DDBDHN CN(C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000152200383 407584022 /nfs/dbraw/zinc/58/40/22/407584022.db2.gz IKGUCWPWFGOIED-NSHDSACASA-N 0 3 314.345 1.919 20 5 DDBDHN COCC1=CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000185824236 407510541 /nfs/dbraw/zinc/51/05/41/407510541.db2.gz IXVRDDLIJRUQQO-OAHLLOKOSA-N 0 3 322.361 1.613 20 5 DDBDHN O=[N+]([O-])c1ccc(OC2CCN(CC3(CO)COC3)CC2)cc1 ZINC000151870329 407517566 /nfs/dbraw/zinc/51/75/66/407517566.db2.gz SNVKVJPTEOPVTQ-UHFFFAOYSA-N 0 3 322.361 1.447 20 5 DDBDHN Cn1ccnc1[C@@H]1CNCCN1Cc1csc([N+](=O)[O-])c1 ZINC000261846506 407639042 /nfs/dbraw/zinc/63/90/42/407639042.db2.gz XISWOKSAEAYJBL-NSHDSACASA-N 0 3 307.379 1.536 20 5 DDBDHN C[C@@H]1OCC[C@]1(O)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000227977229 407641808 /nfs/dbraw/zinc/64/18/08/407641808.db2.gz JYKBOZVLCMESBX-ZANVPECISA-N 0 3 300.742 1.878 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCNC[C@H]1c1nccn1C ZINC000261923435 407675800 /nfs/dbraw/zinc/67/58/00/407675800.db2.gz BXRPPSNIWXFGIT-HNNXBMFYSA-N 0 3 315.377 1.783 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCN(C3CCCC3)CC2)n1 ZINC000271390224 407665237 /nfs/dbraw/zinc/66/52/37/407665237.db2.gz KYFRPUGGPVRAEW-UHFFFAOYSA-N 0 3 321.381 1.419 20 5 DDBDHN C[C@@H](NCC1(C(N)=O)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153094709 407752397 /nfs/dbraw/zinc/75/23/97/407752397.db2.gz KZULVVHONDWWCL-LLVKDONJSA-N 0 3 307.350 1.528 20 5 DDBDHN COc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272544371 407975692 /nfs/dbraw/zinc/97/56/92/407975692.db2.gz CJDIWVPGXCXKDV-RISCZKNCSA-N 0 3 319.361 1.770 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000268276224 407982073 /nfs/dbraw/zinc/98/20/73/407982073.db2.gz WGHODFVLYIRGOD-IAQYHMDHSA-N 0 3 303.362 1.736 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272441348 407923903 /nfs/dbraw/zinc/92/39/03/407923903.db2.gz INGPOMKBVCEFHH-DOMZBBRYSA-N 0 3 303.362 1.690 20 5 DDBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000245837976 408074317 /nfs/dbraw/zinc/07/43/17/408074317.db2.gz AWTGRDSSMQMUJK-UTUOFQBUSA-N 0 3 323.397 1.425 20 5 DDBDHN C[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCN1CCO ZINC000190240531 408198405 /nfs/dbraw/zinc/19/84/05/408198405.db2.gz FYAIIRXUAMBPQI-YVZNUBBCSA-N 0 3 305.378 1.606 20 5 DDBDHN C[C@H](O)[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000183225392 408359973 /nfs/dbraw/zinc/35/99/73/408359973.db2.gz QQHCYTHPSTUFMN-SCRDCRAPSA-N 0 3 310.350 1.037 20 5 DDBDHN CCOc1ccc(C(=O)N2CC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000170860055 162195377 /nfs/dbraw/zinc/19/53/77/162195377.db2.gz RCGHAESFCYLIEL-GFCCVEGCSA-N 0 3 307.350 1.770 20 5 DDBDHN Nc1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000171451212 162219573 /nfs/dbraw/zinc/21/95/73/162219573.db2.gz ODDRGIQDRQGUNL-GFCCVEGCSA-N 0 3 304.350 1.487 20 5 DDBDHN CC(C)N1CCC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000274555567 408447708 /nfs/dbraw/zinc/44/77/08/408447708.db2.gz YLLDYAPQSJLIQB-CYBMUJFWSA-N 0 3 321.377 1.963 20 5 DDBDHN Cc1c([C@@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cnn1C ZINC000183470487 408419821 /nfs/dbraw/zinc/41/98/21/408419821.db2.gz WOEZTRXRGSRXDP-SNVBAGLBSA-N 0 3 305.338 1.149 20 5 DDBDHN CCN(CCO)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000274601304 408465498 /nfs/dbraw/zinc/46/54/98/408465498.db2.gz XDDGGGJXADRSHM-UHFFFAOYSA-N 0 3 321.333 1.385 20 5 DDBDHN Cc1n[nH]c(C(=O)N(CC(C)C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000265119906 408558596 /nfs/dbraw/zinc/55/85/96/408558596.db2.gz NIXBFJGVSZIDMA-UHFFFAOYSA-N 0 3 323.397 1.819 20 5 DDBDHN Cc1[nH]nc(C(=O)N(CC(C)C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000265119906 408558599 /nfs/dbraw/zinc/55/85/99/408558599.db2.gz NIXBFJGVSZIDMA-UHFFFAOYSA-N 0 3 323.397 1.819 20 5 DDBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000270619768 408606941 /nfs/dbraw/zinc/60/69/41/408606941.db2.gz RGNMKUUFYGAAKQ-LBPRGKRZSA-N 0 3 315.333 1.322 20 5 DDBDHN Cc1c(CN2CCN(C[C@H](C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000249492440 408731411 /nfs/dbraw/zinc/73/14/11/408731411.db2.gz FNXHOTOTDUYEIS-STQMWFEESA-N 0 3 307.394 1.790 20 5 DDBDHN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCOC1 ZINC000162742486 408731457 /nfs/dbraw/zinc/73/14/57/408731457.db2.gz PGFDIWIJGNGDGN-YPMHNXCESA-N 0 3 319.361 1.499 20 5 DDBDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285853558 408875918 /nfs/dbraw/zinc/87/59/18/408875918.db2.gz QHPFRHDJNVXVLC-NSHDSACASA-N 0 3 317.349 1.568 20 5 DDBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CCN(C2CCC2)C1 ZINC000291621529 408896099 /nfs/dbraw/zinc/89/60/99/408896099.db2.gz ATSSNMXPUGGIIT-JTQLQIEISA-N 0 3 306.370 1.278 20 5 DDBDHN Cc1cccc2c1CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000277371233 408928723 /nfs/dbraw/zinc/92/87/23/408928723.db2.gz XQOXCLZKSKOMCX-OAHLLOKOSA-N 0 3 316.361 1.519 20 5 DDBDHN O=C(CNC[C@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000237921658 163392832 /nfs/dbraw/zinc/39/28/32/163392832.db2.gz CYQITUBWTLOMSZ-CYBMUJFWSA-N 0 3 305.334 1.253 20 5 DDBDHN CO[C@@H]1[C@H]2C[C@H]3CN(CCn4cc([N+](=O)[O-])ccc4=O)[C@H]1[C@H]3C2 ZINC000286435532 408985611 /nfs/dbraw/zinc/98/56/11/408985611.db2.gz JBFVOYUNKKICJH-GSJWJAIFSA-N 0 3 319.361 1.112 20 5 DDBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(c2ccc([N+](=O)[O-])cn2)C1 ZINC000286544953 408991210 /nfs/dbraw/zinc/99/12/10/408991210.db2.gz WVFQGLFPKYFYIA-KBPBESRZSA-N 0 3 306.366 1.679 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H](O)CC2)c1 ZINC000293288053 409083121 /nfs/dbraw/zinc/08/31/21/409083121.db2.gz VURYUIXGWSLYMN-KBPBESRZSA-N 0 3 310.350 1.181 20 5 DDBDHN CN(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(F)cc1 ZINC000287965093 409123072 /nfs/dbraw/zinc/12/30/72/409123072.db2.gz ARFNSYIFUNCUML-LBPRGKRZSA-N 0 3 321.312 1.490 20 5 DDBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283472028 409163199 /nfs/dbraw/zinc/16/31/99/409163199.db2.gz MKNCXEAKVAZJPI-SNVBAGLBSA-N 0 3 324.356 1.920 20 5 DDBDHN CO[C@H]1COC[C@@H]1NCCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000290123554 409306004 /nfs/dbraw/zinc/30/60/04/409306004.db2.gz KZGHEZBDVRLOHY-JSGCOSHPSA-N 0 3 323.349 1.235 20 5 DDBDHN CN(C[C@@H](O)COc1ccc([N+](=O)[O-])c(F)c1F)C1CC1 ZINC000296100497 409429741 /nfs/dbraw/zinc/42/97/41/409429741.db2.gz ZXCWESOZQWMRBO-SECBINFHSA-N 0 3 302.277 1.707 20 5 DDBDHN C[C@H]1CCCN(CCNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290575618 409449077 /nfs/dbraw/zinc/44/90/77/409449077.db2.gz UZNYAZYOIGUGDC-JTQLQIEISA-N 0 3 307.354 1.233 20 5 DDBDHN O=C1C(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1C1CC1 ZINC000357056841 164138240 /nfs/dbraw/zinc/13/82/40/164138240.db2.gz YBZHJUYKERVYPG-GFCCVEGCSA-N 0 3 310.331 1.132 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCNc2ccncc2)c1 ZINC000354413833 409837186 /nfs/dbraw/zinc/83/71/86/409837186.db2.gz SMJKZZGFEQMZOO-UHFFFAOYSA-N 0 3 316.317 1.262 20 5 DDBDHN CN(C)[C@@H](CNc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000354697971 410024265 /nfs/dbraw/zinc/02/42/65/410024265.db2.gz DYVCCYTUSQSTCJ-CYBMUJFWSA-N 0 3 303.366 1.913 20 5 DDBDHN C[C@@H](CN1CCCCCC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357433895 410037118 /nfs/dbraw/zinc/03/71/18/410037118.db2.gz BKJDNDUMLOBSTM-NSHDSACASA-N 0 3 321.381 1.765 20 5 DDBDHN CCOC1(C)CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000298219731 410140059 /nfs/dbraw/zinc/14/00/59/410140059.db2.gz FTMDKVBUPQILGJ-UHFFFAOYSA-N 0 3 309.366 1.648 20 5 DDBDHN C[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(C)C ZINC000298337045 410186674 /nfs/dbraw/zinc/18/66/74/410186674.db2.gz HBASAKZKQHPPMR-NSHDSACASA-N 0 3 317.349 1.460 20 5 DDBDHN C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N1CCCC[C@@H]1C ZINC000347012137 410312059 /nfs/dbraw/zinc/31/20/59/410312059.db2.gz LSJBRUAPOIIYCR-QWRGUYRKSA-N 0 3 309.370 1.321 20 5 DDBDHN CCN1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000355376251 410481121 /nfs/dbraw/zinc/48/11/21/410481121.db2.gz XEPFMWCKHRBWAD-GJZGRUSLSA-N 0 3 319.361 1.530 20 5 DDBDHN Cc1c(CNC(=O)NC[C@@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000358577104 410484629 /nfs/dbraw/zinc/48/46/29/410484629.db2.gz FYMMWVQENRUMEJ-ZDUSSCGKSA-N 0 3 306.366 1.797 20 5 DDBDHN CCCN1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000343550614 410526035 /nfs/dbraw/zinc/52/60/35/410526035.db2.gz CCXJOILHUVPQTH-LLVKDONJSA-N 0 3 306.366 1.781 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000343914972 410804242 /nfs/dbraw/zinc/80/42/42/410804242.db2.gz WJUIARQZKPMYLV-WFASDCNBSA-N 0 3 320.393 1.919 20 5 DDBDHN COC(=O)c1cnc(NC[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000302747396 410856887 /nfs/dbraw/zinc/85/68/87/410856887.db2.gz GAVZRNVOLWPSLG-JTQLQIEISA-N 0 3 308.338 1.530 20 5 DDBDHN O=[N+]([O-])c1cccc(CNCCc2nnnn2-c2ccccc2)c1 ZINC000337828177 411024770 /nfs/dbraw/zinc/02/47/70/411024770.db2.gz UNQJLZVVVTZDJL-UHFFFAOYSA-N 0 3 324.344 1.903 20 5 DDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H](O)C(F)F ZINC000341378142 411030307 /nfs/dbraw/zinc/03/03/07/411030307.db2.gz ZXQFLXCTMANMRG-KCJUWKMLSA-N 0 3 317.292 1.528 20 5 DDBDHN C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1n1ccnc1 ZINC000129820290 196078162 /nfs/dbraw/zinc/07/81/62/196078162.db2.gz DBNCRLPUSOSBBL-OLZOCXBDSA-N 0 3 304.354 1.571 20 5 DDBDHN O=C(CN1CCNC[C@H]1C(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000580431964 422932009 /nfs/dbraw/zinc/93/20/09/422932009.db2.gz ALGQTGIUEJEDHY-NSHDSACASA-N 0 3 314.292 1.072 20 5 DDBDHN C[C@H]1C[C@H]1N1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H](C)C1 ZINC000488756842 416562008 /nfs/dbraw/zinc/56/20/08/416562008.db2.gz WXUHWAPJSSCJHP-GARJFASQSA-N 0 3 306.370 1.134 20 5 DDBDHN CO[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000374679135 418554214 /nfs/dbraw/zinc/55/42/14/418554214.db2.gz MOMVAUZIIUYITG-CYBMUJFWSA-N 0 3 307.350 1.695 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000375037018 418593165 /nfs/dbraw/zinc/59/31/65/418593165.db2.gz HXURXPBZETUEKB-FZMZJTMJSA-N 0 3 318.377 1.652 20 5 DDBDHN N[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1c1ccccc1F ZINC000424032155 228221558 /nfs/dbraw/zinc/22/15/58/228221558.db2.gz UXRQPYGWYKPGNL-GXSJLCMTSA-N 0 3 319.296 1.024 20 5 DDBDHN C[C@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000417937370 419399662 /nfs/dbraw/zinc/39/96/62/419399662.db2.gz IMAAQKVEFFHHDT-RYUDHWBXSA-N 0 3 306.366 1.529 20 5 DDBDHN C[C@@H]1[C@@H](CO)CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000412079782 419632958 /nfs/dbraw/zinc/63/29/58/419632958.db2.gz NATDXKPYNVKAED-UMVBOHGHSA-N 0 3 324.377 1.427 20 5 DDBDHN CC(C)c1ccc(CNC[C@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000414961083 419896782 /nfs/dbraw/zinc/89/67/82/419896782.db2.gz IHJBWWSXLYMDSE-CQSZACIVSA-N 0 3 306.410 1.711 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)CCN(C)C)c1 ZINC000420020450 420095114 /nfs/dbraw/zinc/09/51/14/420095114.db2.gz SILNDZKUPIFTHB-HNNXBMFYSA-N 0 3 309.366 1.336 20 5 DDBDHN CCCC[C@H](CN)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000415489832 420087215 /nfs/dbraw/zinc/08/72/15/420087215.db2.gz BPKFRSKMPRRETK-LLVKDONJSA-N 0 3 322.365 1.475 20 5 DDBDHN C[C@@H]1CCCN(CCNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420585838 420324085 /nfs/dbraw/zinc/32/40/85/420324085.db2.gz NFSGGRGPYRQTGY-LLVKDONJSA-N 0 3 306.366 1.838 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451635537 420606629 /nfs/dbraw/zinc/60/66/29/420606629.db2.gz RHUYMEFGDNFENO-WQAKAFBOSA-N 0 3 303.318 1.169 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000453040661 420706593 /nfs/dbraw/zinc/70/65/93/420706593.db2.gz UEDSLJPEGFNDMB-RNCFNFMXSA-N 0 3 315.333 1.247 20 5 DDBDHN CN(C)C1(CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000493644471 420905704 /nfs/dbraw/zinc/90/57/04/420905704.db2.gz GCNFHQQPHVIPML-GQCTYLIASA-N 0 3 307.325 1.958 20 5 DDBDHN CNc1nc(C(=O)N[C@H](C)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000454694569 420909822 /nfs/dbraw/zinc/90/98/22/420909822.db2.gz VCDYXCBQRYYANK-LLVKDONJSA-N 0 3 321.381 1.636 20 5 DDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493498409 420866493 /nfs/dbraw/zinc/86/64/93/420866493.db2.gz QHAYMRZDPYGEOZ-XDFYEUQUSA-N 0 3 307.325 1.956 20 5 DDBDHN C[C@@H](CN(C)CCn1ccc([N+](=O)[O-])n1)C(=O)OC(C)(C)C ZINC000459810182 420879676 /nfs/dbraw/zinc/87/96/76/420879676.db2.gz PZORAKJDBIUKFV-NSHDSACASA-N 0 3 312.370 1.701 20 5 DDBDHN CCN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455625956 421046177 /nfs/dbraw/zinc/04/61/77/421046177.db2.gz OOSWVTIMYLNURX-NSHDSACASA-N 0 3 321.381 1.636 20 5 DDBDHN CC[N@@H+]1CCC[C@@H]1C[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000450220264 421165766 /nfs/dbraw/zinc/16/57/66/421165766.db2.gz YJYXSWQUYYJMEJ-CYBMUJFWSA-N 0 3 317.349 2.541 20 5 DDBDHN CC[N@H+]1CCC[C@@H]1C[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000450220264 421165767 /nfs/dbraw/zinc/16/57/67/421165767.db2.gz YJYXSWQUYYJMEJ-CYBMUJFWSA-N 0 3 317.349 2.541 20 5 DDBDHN COc1c(C(=O)NCCN2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000527248557 421371505 /nfs/dbraw/zinc/37/15/05/421371505.db2.gz GPNDXDPCZCXVDW-NSHDSACASA-N 0 3 307.350 1.675 20 5 DDBDHN CC(COC(=O)[C@H](F)C1CN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000497165028 421375854 /nfs/dbraw/zinc/37/58/54/421375854.db2.gz KHCZVFZRYPVVNF-PSASIEDQSA-N 0 3 320.317 1.400 20 5 DDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000548491785 421444590 /nfs/dbraw/zinc/44/45/90/421444590.db2.gz LYWICEBXIJZXOA-UHFFFAOYSA-N 0 3 309.370 1.275 20 5 DDBDHN CCCCN1CCCC[C@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554868331 421664158 /nfs/dbraw/zinc/66/41/58/421664158.db2.gz FBHGZEISKJLLHI-NSHDSACASA-N 0 3 309.370 1.702 20 5 DDBDHN C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCN(C2CC2)C1 ZINC000575873021 422340552 /nfs/dbraw/zinc/34/05/52/422340552.db2.gz PJNPGKWQCVAWOG-LLVKDONJSA-N 0 3 316.365 1.558 20 5 DDBDHN COc1ccc(CNC[C@@H](CO)c2cccnc2)cc1[N+](=O)[O-] ZINC000342313446 271373202 /nfs/dbraw/zinc/37/32/02/271373202.db2.gz XGZZMHQUNMFDSZ-AWEZNQCLSA-N 0 3 317.345 1.864 20 5 DDBDHN N[C@H](CC(F)F)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000345751006 272323876 /nfs/dbraw/zinc/32/38/76/272323876.db2.gz BYWMDMQENBEKSX-MRVPVSSYSA-N 0 3 302.281 1.105 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCNc1ccncc1 ZINC000345763248 272328765 /nfs/dbraw/zinc/32/87/65/272328765.db2.gz NICLLFVBZDCEQQ-UHFFFAOYSA-N 0 3 315.333 1.954 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269361859 276379478 /nfs/dbraw/zinc/37/94/78/276379478.db2.gz JSOQEFDHECGJFL-JTQLQIEISA-N 0 3 309.370 1.655 20 5 DDBDHN CN1CC[C@H]2OCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC000296854740 277180772 /nfs/dbraw/zinc/18/07/72/277180772.db2.gz UMCMRHATTRNQIO-UONOGXRCSA-N 0 3 317.349 1.380 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000294023919 278001109 /nfs/dbraw/zinc/00/11/09/278001109.db2.gz ZHOYELSPTFWFJZ-HNNXBMFYSA-N 0 3 321.381 1.609 20 5 DDBDHN COc1cccc(N2CCN(C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000185529786 278015980 /nfs/dbraw/zinc/01/59/80/278015980.db2.gz KUMLASYUORDQGJ-CYBMUJFWSA-N 0 3 321.377 1.762 20 5 DDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000356464246 298798520 /nfs/dbraw/zinc/79/85/20/298798520.db2.gz JENZPTJLFPXAGJ-GFCCVEGCSA-N 0 3 321.381 1.419 20 5 DDBDHN COCCCN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000362886662 300170695 /nfs/dbraw/zinc/17/06/95/300170695.db2.gz XQDAKOFMJQFGHL-UHFFFAOYSA-N 0 3 321.377 1.779 20 5 DDBDHN CO[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000363651024 300293059 /nfs/dbraw/zinc/29/30/59/300293059.db2.gz JNNXLBTWHYODGB-KGLIPLIRSA-N 0 3 324.377 1.835 20 5 DDBDHN CN1CCC2(CCCN2C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000367359059 300835444 /nfs/dbraw/zinc/83/54/44/300835444.db2.gz SHPYRASRWLYYMH-UHFFFAOYSA-N 0 3 318.377 1.877 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC12CCN(C)CC2 ZINC000374323880 301793211 /nfs/dbraw/zinc/79/32/11/301793211.db2.gz KDENDHXAKNNSIF-UHFFFAOYSA-N 0 3 321.381 1.187 20 5 DDBDHN Nc1c(C(=O)Nc2cnc3c(c2)CNCC3)cccc1[N+](=O)[O-] ZINC000377179089 302152418 /nfs/dbraw/zinc/15/24/18/302152418.db2.gz PDNUECGIOJFNMV-UHFFFAOYSA-N 0 3 313.317 1.470 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CCC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000377656817 302205693 /nfs/dbraw/zinc/20/56/93/302205693.db2.gz OSPIAWPNAVHTCF-NSHDSACASA-N 0 3 321.381 1.581 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CCC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000377656817 302205696 /nfs/dbraw/zinc/20/56/96/302205696.db2.gz OSPIAWPNAVHTCF-NSHDSACASA-N 0 3 321.381 1.581 20 5 DDBDHN O=C1NC[C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@H]12 ZINC000377673040 302209189 /nfs/dbraw/zinc/20/91/89/302209189.db2.gz RLMNOGOHGSYJAW-FZMZJTMJSA-N 0 3 305.334 1.042 20 5 DDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)N1CCC[C@H](C)C1 ZINC000532134265 303276262 /nfs/dbraw/zinc/27/62/62/303276262.db2.gz VLVVJCLGMXDMNM-NWDGAFQWSA-N 0 3 306.366 1.840 20 5 DDBDHN CSC[C@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365126878 307059720 /nfs/dbraw/zinc/05/97/20/307059720.db2.gz UFGHHWLKTQEUQS-LLVKDONJSA-N 0 3 300.384 1.152 20 5 DDBDHN CCc1nn(C)c(N2C[C@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000367750216 307103650 /nfs/dbraw/zinc/10/36/50/307103650.db2.gz ZWOQKBYIZDPVRL-NWDGAFQWSA-N 0 3 307.398 1.954 20 5 DDBDHN Cn1cc(N2CC[C@H](NCc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000370906742 307139547 /nfs/dbraw/zinc/13/95/47/307139547.db2.gz XPNXUZYXXXOOGS-ZDUSSCGKSA-N 0 3 301.350 1.697 20 5 DDBDHN C[C@@H]1CC[C@H](O)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000421021016 307300516 /nfs/dbraw/zinc/30/05/16/307300516.db2.gz NVWXYBAYCGTULF-NEPJUHHUSA-N 0 3 307.350 1.769 20 5 DDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C)C[C@@H]1CN ZINC000577162366 308366832 /nfs/dbraw/zinc/36/68/32/308366832.db2.gz FPMFGXYKTLHLJP-ZDUSSCGKSA-N 0 3 321.381 1.264 20 5 DDBDHN C[C@@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000577354985 308381037 /nfs/dbraw/zinc/38/10/37/308381037.db2.gz XFGBMCRAKXVYLJ-NEPJUHHUSA-N 0 3 322.365 1.365 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCN(CC2CCC2)CC1 ZINC000577527459 308396212 /nfs/dbraw/zinc/39/62/12/308396212.db2.gz BQNZZJUMCFAWLB-UHFFFAOYSA-N 0 3 306.366 1.871 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](c3cccnc3)C2)c1 ZINC000582724550 337125555 /nfs/dbraw/zinc/12/55/55/337125555.db2.gz ZVZXYFQCZZVFDK-ZFWWWQNUSA-N 0 3 317.349 1.037 20 5 DDBDHN CC(C)NC(=O)NCCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000584587848 337370089 /nfs/dbraw/zinc/37/00/89/337370089.db2.gz GKBZXZUEXJBTNX-UHFFFAOYSA-N 0 3 308.382 1.777 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](c3nnc[nH]3)C2)cc1 ZINC000374528170 483938807 /nfs/dbraw/zinc/93/88/07/483938807.db2.gz ATYTZKUHILKRFL-LBPRGKRZSA-N 0 3 317.349 1.971 20 5 DDBDHN COC(=O)c1cc(C(=O)NC(C)(C)CN(C)C)cc([N+](=O)[O-])c1 ZINC000457225558 533731770 /nfs/dbraw/zinc/73/17/70/533731770.db2.gz SKMIPJXSKMLBEG-UHFFFAOYSA-N 0 3 323.349 1.451 20 5 DDBDHN Cc1cc(NC[C@@H]2CCCC(=O)N2)c2cc([N+](=O)[O-])ccc2n1 ZINC000432935491 534034096 /nfs/dbraw/zinc/03/40/96/534034096.db2.gz DNJVJOZBQUBLCH-NSHDSACASA-N 0 3 314.345 1.954 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@]1(C)CCO[C@H]1C ZINC000494242662 534339656 /nfs/dbraw/zinc/33/96/56/534339656.db2.gz URKWBTMLOYZTHN-NHYWBVRUSA-N 0 3 307.350 1.999 20 5 DDBDHN Cc1ccc(NCCCNC(=O)[C@]2(F)CCNC2)c([N+](=O)[O-])c1 ZINC000160485548 525275294 /nfs/dbraw/zinc/27/52/94/525275294.db2.gz ZNNSGVHQYONZMV-HNNXBMFYSA-N 0 3 324.356 1.523 20 5 DDBDHN CNC(=O)C1(NC[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000750096446 700203558 /nfs/dbraw/zinc/20/35/58/700203558.db2.gz OERDAPIJPZQPFE-ZDUSSCGKSA-N 0 3 307.350 1.277 20 5 DDBDHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCC[N+](=O)[O-])CC1 ZINC000791053328 699608966 /nfs/dbraw/zinc/60/89/66/699608966.db2.gz DGTYLZIGXDRQLI-ZDUSSCGKSA-N 0 3 324.400 1.895 20 5 DDBDHN CN1CCC(NC(=S)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000741874383 699855308 /nfs/dbraw/zinc/85/53/08/699855308.db2.gz QNHHPLMQJYLSOD-UHFFFAOYSA-N 0 3 322.434 1.696 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](C(F)(F)F)C2)c1 ZINC000761056552 700837640 /nfs/dbraw/zinc/83/76/40/700837640.db2.gz YADKAXYKHMQBIA-WPRPVWTQSA-N 0 3 308.260 1.036 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NNC(=S)NC1CCN(C)CC1 ZINC000806590468 701442321 /nfs/dbraw/zinc/44/23/21/701442321.db2.gz QSQACGNEXQSGCZ-UHFFFAOYSA-N 0 3 323.422 1.788 20 5 DDBDHN Cc1ccc(CNC(=O)CNC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000867996133 701879921 /nfs/dbraw/zinc/87/99/21/701879921.db2.gz QUGPSBCYUZCZCP-ZDUSSCGKSA-N 0 3 307.350 1.288 20 5 DDBDHN C[C@H](CCS(C)(=O)=O)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815588848 701900489 /nfs/dbraw/zinc/90/04/89/701900489.db2.gz AKRYVKPSUFBPOM-ZJUUUORDSA-N 0 3 315.395 1.651 20 5 DDBDHN Cc1ccc(CNC(=O)N[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000868363823 702085829 /nfs/dbraw/zinc/08/58/29/702085829.db2.gz QUIIVXAYIMZSES-ZDUSSCGKSA-N 0 3 306.366 1.797 20 5 DDBDHN CCn1nc(C(=O)OCC(C)[N+](=O)[O-])c(=O)c2ccccc21 ZINC000813105766 702293068 /nfs/dbraw/zinc/29/30/68/702293068.db2.gz UIBWBPKBUGKVHD-VIFPVBQESA-N 0 3 305.290 1.238 20 5 DDBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccccn1 ZINC000813105531 702293257 /nfs/dbraw/zinc/29/32/57/702293257.db2.gz ODMRIBOGMCOCCE-JTQLQIEISA-N 0 3 304.306 1.652 20 5 DDBDHN CC(COC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O)[N+](=O)[O-] ZINC000813107123 702294422 /nfs/dbraw/zinc/29/44/22/702294422.db2.gz KCFGOFSYTAYNRL-QMMMGPOBSA-N 0 3 322.317 1.764 20 5 DDBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)[N+](=O)[O-] ZINC000813113043 702297801 /nfs/dbraw/zinc/29/78/01/702297801.db2.gz WVKIGMVWLNSQOR-VXGBXAGGSA-N 0 3 313.354 1.123 20 5 DDBDHN CC(=O)N1CC(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000845883469 703212380 /nfs/dbraw/zinc/21/23/80/703212380.db2.gz SXMKHLYKKNYZKJ-OTYXRUKQSA-N 0 3 324.308 1.554 20 5 DDBDHN CC(COC(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C)[N+](=O)[O-] ZINC000851037339 703774886 /nfs/dbraw/zinc/77/48/86/703774886.db2.gz UALVIPOAMKKCGC-LKFCYVNXSA-N 0 3 301.339 1.953 20 5 DDBDHN C[C@@H]1C[C@@H]1N1C[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000819120951 704072128 /nfs/dbraw/zinc/07/21/28/704072128.db2.gz DKGYFUDZFQQUAN-WAZAZEMKSA-N 0 3 319.361 1.227 20 5 DDBDHN CC(C)(C)N1C[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000819127595 704072963 /nfs/dbraw/zinc/07/29/63/704072963.db2.gz UYNWJHZBBBLZCP-GXTWGEPZSA-N 0 3 321.377 1.617 20 5 DDBDHN O=C(CN1CCCC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000820082704 704218222 /nfs/dbraw/zinc/21/82/22/704218222.db2.gz JHFZFLGUILXNGZ-GFCCVEGCSA-N 0 3 319.365 1.098 20 5 DDBDHN CC(C)([NH3+])C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857767841 704622778 /nfs/dbraw/zinc/62/27/78/704622778.db2.gz ILTOOXUFGLDIQE-UHFFFAOYSA-N 0 3 303.265 1.420 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874839962 705195549 /nfs/dbraw/zinc/19/55/49/705195549.db2.gz YOHLHBPDTOZNQS-WDEREUQCSA-N 0 3 321.381 1.750 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874839962 705195551 /nfs/dbraw/zinc/19/55/51/705195551.db2.gz YOHLHBPDTOZNQS-WDEREUQCSA-N 0 3 321.381 1.750 20 5 DDBDHN CC([C@@H](OC(=O)[C@@H]1COC(=O)N1)c1ccccc1F)[N+](=O)[O-] ZINC000860854673 705301511 /nfs/dbraw/zinc/30/15/11/705301511.db2.gz GAYPFJLYRDRTAF-BKDNQFJXSA-N 0 3 312.253 1.184 20 5 DDBDHN CN1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CCC1(C)C ZINC000879072098 706580034 /nfs/dbraw/zinc/58/00/34/706580034.db2.gz QUBWUGNUCQGHLG-UHFFFAOYSA-N 0 3 307.354 1.360 20 5 DDBDHN CN1CCC[C@@H]2[C@@H]1CCN2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880134676 706887211 /nfs/dbraw/zinc/88/72/11/706887211.db2.gz OIYAJPRLQNJLJW-LSDHHAIUSA-N 0 3 318.377 1.702 20 5 DDBDHN CN1CCC[C@H]2[C@@H]1CCN2c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000872778977 707596569 /nfs/dbraw/zinc/59/65/69/707596569.db2.gz BWLWHGHHTQWBSK-RYUDHWBXSA-N 0 3 304.350 1.367 20 5 DDBDHN COC(=O)N1CCC[C@H]([C@H](C)NCc2cccnc2[N+](=O)[O-])C1 ZINC000886142922 708704346 /nfs/dbraw/zinc/70/43/46/708704346.db2.gz OINSHCLYRQRISB-AAEUAGOBSA-N 0 3 322.365 1.946 20 5 DDBDHN COc1cc(C(=O)N[C@@]2(C)CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000892785907 710498140 /nfs/dbraw/zinc/49/81/40/710498140.db2.gz RRASMCXQPKHHNY-INIZCTEOSA-N 0 3 319.361 1.818 20 5 DDBDHN C[C@]1(NC(=O)COc2ccccc2[N+](=O)[O-])CN2CCC1CC2 ZINC000892801432 710502636 /nfs/dbraw/zinc/50/26/36/710502636.db2.gz SLGKEZAVZOXHHT-INIZCTEOSA-N 0 3 319.361 1.574 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1C ZINC000928441881 713197519 /nfs/dbraw/zinc/19/75/19/713197519.db2.gz PTMZBRMUWIOEHC-HZMBPMFUSA-N 0 3 316.361 1.827 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCN1C ZINC000928444036 713198271 /nfs/dbraw/zinc/19/82/71/713198271.db2.gz IJXRACWCVXEBRK-SKDRFNHKSA-N 0 3 311.313 1.322 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCN1C1CCOCC1 ZINC000896524082 711738220 /nfs/dbraw/zinc/73/82/20/711738220.db2.gz SBXALVRCMHCOEE-ZDUSSCGKSA-N 0 3 323.397 1.785 20 5 DDBDHN CCN1CCC[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000905550268 712074034 /nfs/dbraw/zinc/07/40/34/712074034.db2.gz IRFUPLCXCRUEEN-KBPBESRZSA-N 0 3 307.350 1.229 20 5 DDBDHN Cn1nc2c(c1CNCCOc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000921721579 713853596 /nfs/dbraw/zinc/85/35/96/713853596.db2.gz KWQVJULZCZZMOC-UHFFFAOYSA-N 0 3 316.361 1.986 20 5 DDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000923303541 714304162 /nfs/dbraw/zinc/30/41/62/714304162.db2.gz GBYHULZIYXSASS-GXTWGEPZSA-N 0 3 319.361 1.669 20 5 DDBDHN Cc1cnc(N2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169048642 762206001 /nfs/dbraw/zinc/20/60/01/762206001.db2.gz AGPCUPOTNFPNKJ-KGLIPLIRSA-N 0 3 305.382 1.352 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])cc1N[C@H](C)[C@H]1CNCCO1 ZINC001170565690 768165186 /nfs/dbraw/zinc/16/51/86/768165186.db2.gz CXHRTORLTTZMKO-NOZJJQNGSA-N 0 3 309.322 1.170 20 5 DDBDHN CCc1n[nH]cc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001130723982 767698372 /nfs/dbraw/zinc/69/83/72/767698372.db2.gz CREGLJGTHHZBDR-UHFFFAOYSA-N 0 3 317.349 1.400 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1CC2(CC2)C1 ZINC001133646315 770094863 /nfs/dbraw/zinc/09/48/63/770094863.db2.gz FBWYTKMHLRDCKD-UHFFFAOYSA-N 0 3 303.362 1.991 20 5 DDBDHN O=C(CCn1cccc1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001135736963 771681214 /nfs/dbraw/zinc/68/12/14/771681214.db2.gz VHSDHPPSPMHXOH-UHFFFAOYSA-N 0 3 316.361 1.692 20 5 DDBDHN CCN(CC)CC(=O)NCCNc1ccc(C)cc1[N+](=O)[O-] ZINC001093646895 774947246 /nfs/dbraw/zinc/94/72/46/774947246.db2.gz PYTQBOHWQMAGEO-UHFFFAOYSA-N 0 3 308.382 1.773 20 5 DDBDHN Cc1[nH]cnc1CC(=O)NCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001093776738 775101556 /nfs/dbraw/zinc/10/15/56/775101556.db2.gz LUESURVICNALTG-UHFFFAOYSA-N 0 3 318.337 1.101 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC(C)(C)C(N)=O)c1F ZINC001173183692 777035066 /nfs/dbraw/zinc/03/50/66/777035066.db2.gz DFVZXEBECMLHIK-MRVPVSSYSA-N 0 3 313.329 1.527 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NC(C)(C)C(N)=O)c1F ZINC001173183695 777035786 /nfs/dbraw/zinc/03/57/86/777035786.db2.gz DFVZXEBECMLHIK-QMMMGPOBSA-N 0 3 313.329 1.527 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccc(=O)[nH]c1 ZINC001149747276 861873556 /nfs/dbraw/zinc/87/35/56/861873556.db2.gz GRQDHSQFMCMAAT-UHFFFAOYSA-N 0 3 316.317 1.215 20 5 DDBDHN Cc1nc(N[C@H]2CCCC[C@@]23CNCCO3)ncc1[N+](=O)[O-] ZINC001155833871 862485781 /nfs/dbraw/zinc/48/57/81/862485781.db2.gz SEAICWGRAKIGIV-GXTWGEPZSA-N 0 3 307.354 1.406 20 5 DDBDHN COc1ncnc(N2CCNC[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC001156097266 862719965 /nfs/dbraw/zinc/71/99/65/862719965.db2.gz GMPIUEVLFMPPSR-VIFPVBQESA-N 0 3 321.362 1.606 20 5 DDBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCNC[C@H]1c1cccs1 ZINC001156110878 862727968 /nfs/dbraw/zinc/72/79/68/862727968.db2.gz LTDMVLDIGKLLBW-LBPRGKRZSA-N 0 3 320.374 1.749 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C1=CCCC1 ZINC001156524366 863119305 /nfs/dbraw/zinc/11/93/05/863119305.db2.gz ZYVGIROWZBICMW-UHFFFAOYSA-N 0 3 307.354 1.035 20 5 DDBDHN CCCSCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001124196731 859624154 /nfs/dbraw/zinc/62/41/54/859624154.db2.gz ATGCAZJFDGCGIK-UHFFFAOYSA-N 0 3 311.407 1.944 20 5 DDBDHN Cc1ncc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)s1 ZINC001124513990 859726636 /nfs/dbraw/zinc/72/66/36/859726636.db2.gz DZYREIDDTYFVAM-UHFFFAOYSA-N 0 3 320.374 1.879 20 5 DDBDHN CN1CCN(C(=N)Nc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001157916257 864259091 /nfs/dbraw/zinc/25/90/91/864259091.db2.gz QIJCAYSUVFOVBM-UHFFFAOYSA-N 0 3 315.337 1.132 20 5 DDBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CCN(C2CC2)C1 ZINC001330658556 864515848 /nfs/dbraw/zinc/51/58/48/864515848.db2.gz DKZOSLDVXNCRPZ-LLVKDONJSA-N 0 3 318.377 1.733 20 5 DDBDHN Cc1cocc1C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001164098321 868940890 /nfs/dbraw/zinc/94/08/90/868940890.db2.gz VXHBMYXCYVAFBT-UHFFFAOYSA-N 0 3 321.337 1.139 20 5 DDBDHN COCCN1CCC(Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)CC1 ZINC001230230698 884382198 /nfs/dbraw/zinc/38/21/98/884382198.db2.gz ZWZQSPNEPMPFNR-UHFFFAOYSA-N 0 3 321.337 1.356 20 5 DDBDHN CO[C@@H]1CCN(CCOc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001231056030 885167662 /nfs/dbraw/zinc/16/76/62/885167662.db2.gz OVKSCHIPUSRUCO-LLVKDONJSA-N 0 3 318.333 1.638 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NC1CN(c3ncccn3)C1)C2 ZINC001254578090 896510604 /nfs/dbraw/zinc/51/06/04/896510604.db2.gz JCMZPEVPFHHIGA-CYBMUJFWSA-N 0 3 311.345 1.330 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@@H]1COCCC13OCCO3)C2 ZINC001254576186 896510973 /nfs/dbraw/zinc/51/09/73/896510973.db2.gz VBMAOHJQUJCVLB-DZGCQCFKSA-N 0 3 320.345 1.184 20 5 DDBDHN C[C@]1(CO)CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1O ZINC001254592069 896520387 /nfs/dbraw/zinc/52/03/87/896520387.db2.gz ABVXNTGSQXHNHO-OWCLPIDISA-N 0 3 306.362 1.127 20 5 DDBDHN O=[N+]([O-])c1ccc2[nH]c(NCCN3CCCOCC3)nc2c1 ZINC000278367686 214121049 /nfs/dbraw/zinc/12/10/49/214121049.db2.gz DIFVSNWOYNYWBV-UHFFFAOYSA-N 0 3 305.338 1.605 20 5 DDBDHN Cc1c(CN2CCN(CCO)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000614920171 362076301 /nfs/dbraw/zinc/07/63/01/362076301.db2.gz GCCUDSHELJBJGY-UHFFFAOYSA-N 0 3 307.394 1.792 20 5 DDBDHN CCOc1ccc([C@@H](C)NCC2(CO)COC2)cc1[N+](=O)[O-] ZINC000090642740 185307716 /nfs/dbraw/zinc/30/77/16/185307716.db2.gz WGJDQZSVWUIQGJ-LLVKDONJSA-N 0 3 310.350 1.653 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](N2CCCC2)C1 ZINC000301141816 529932799 /nfs/dbraw/zinc/93/27/99/529932799.db2.gz GJEZGCXXQDFVSN-ZDUSSCGKSA-N 0 3 318.377 1.629 20 5 DDBDHN O=C(CCN1CCC[C@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000181684917 199338479 /nfs/dbraw/zinc/33/84/79/199338479.db2.gz FPJCAMSMRUYDNP-NSHDSACASA-N 0 3 311.313 1.519 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H]1CC[C@H](O)C1)OCCO2 ZINC000616094547 362544850 /nfs/dbraw/zinc/54/48/50/362544850.db2.gz BWNUZOMQSAATPO-JQWIXIFHSA-N 0 3 308.334 1.617 20 5 DDBDHN O=C(CCN1CC[C@H](CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181714357 199342607 /nfs/dbraw/zinc/34/26/07/199342607.db2.gz UZOPDBGNQQNURZ-JTQLQIEISA-N 0 3 311.313 1.377 20 5 DDBDHN COc1cc(C(=O)NCCN2CC[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000616359383 362656875 /nfs/dbraw/zinc/65/68/75/362656875.db2.gz OZAAEVTVFLLYAU-LLVKDONJSA-N 0 3 321.377 1.983 20 5 DDBDHN CCOC[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181943837 199367081 /nfs/dbraw/zinc/36/70/81/199367081.db2.gz ILUOZQZLESQXEL-KBPBESRZSA-N 0 3 324.377 1.693 20 5 DDBDHN C[C@@H](O)C[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000279671848 215049074 /nfs/dbraw/zinc/04/90/74/215049074.db2.gz DLYXIGJOPYGWIV-OLZOCXBDSA-N 0 3 309.366 1.382 20 5 DDBDHN Cc1c(NC(=O)CCN2C[C@H](O)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000279881934 215202888 /nfs/dbraw/zinc/20/28/88/215202888.db2.gz UKMUDVIRCKRWFG-AWEZNQCLSA-N 0 3 321.377 1.935 20 5 DDBDHN Cc1noc(CCCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000331374038 233215258 /nfs/dbraw/zinc/21/52/58/233215258.db2.gz AZMDQXBSXNNYSK-UHFFFAOYSA-N 0 3 320.353 1.752 20 5 DDBDHN C[C@@]1(O)CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000280018167 215315424 /nfs/dbraw/zinc/31/54/24/215315424.db2.gz KGJLCEAQBQMINA-XJKSGUPXSA-N 0 3 324.377 1.571 20 5 DDBDHN CC(C)(C)[C@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000164279424 186154261 /nfs/dbraw/zinc/15/42/61/186154261.db2.gz LQRNSBFZAQFHES-CQSZACIVSA-N 0 3 320.393 1.617 20 5 DDBDHN C[C@@H](O)C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181869108 186212815 /nfs/dbraw/zinc/21/28/15/186212815.db2.gz NQFMQVSZCXLGJF-OCCSQVGLSA-N 0 3 324.377 1.427 20 5 DDBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000344012464 282759107 /nfs/dbraw/zinc/75/91/07/282759107.db2.gz TVNBXRNCPXCKDZ-ZDUSSCGKSA-N 0 3 316.361 1.826 20 5 DDBDHN C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000041597156 352309810 /nfs/dbraw/zinc/30/98/10/352309810.db2.gz ADYILTRCTQFMIG-NSHDSACASA-N 0 3 320.349 1.134 20 5 DDBDHN CC1CCN(CCNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000046956645 352472302 /nfs/dbraw/zinc/47/23/02/352472302.db2.gz OMOADVRWRNJHMN-UHFFFAOYSA-N 0 3 321.377 1.822 20 5 DDBDHN COCCN(C)CCCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173086626 198183620 /nfs/dbraw/zinc/18/36/20/198183620.db2.gz RJXTZXABRCHWMI-UHFFFAOYSA-N 0 3 309.366 1.601 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(CCN(C)C)c1 ZINC000061634736 352891730 /nfs/dbraw/zinc/89/17/30/352891730.db2.gz BDEKFCRHYFKVGS-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1cccc(F)c1 ZINC000076267192 353408936 /nfs/dbraw/zinc/40/89/36/353408936.db2.gz ZGVBEKSBSFIPJO-NSHDSACASA-N 0 3 320.328 1.821 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1C(=N)NO ZINC000370724490 307134180 /nfs/dbraw/zinc/13/41/80/307134180.db2.gz LKBWIAXHKKWSBI-GFCCVEGCSA-N 0 3 308.338 1.914 20 5 DDBDHN C[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000093342410 353897117 /nfs/dbraw/zinc/89/71/17/353897117.db2.gz VJXIKCWAOIZXTL-FZMZJTMJSA-N 0 3 307.350 1.626 20 5 DDBDHN Cc1ccc(S(=O)(=O)NCCN(C)C(C)C)c([N+](=O)[O-])c1 ZINC000155614999 354214447 /nfs/dbraw/zinc/21/44/47/354214447.db2.gz AOLILOUJYBPFND-UHFFFAOYSA-N 0 3 315.395 1.522 20 5 DDBDHN CCOC(=O)CC[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000162081079 354245554 /nfs/dbraw/zinc/24/55/54/354245554.db2.gz DNAIMNFYFSZRNM-ZDUSSCGKSA-N 0 3 324.381 1.847 20 5 DDBDHN CC(C)[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CCN1C ZINC000588032356 354896529 /nfs/dbraw/zinc/89/65/29/354896529.db2.gz WVWFPCXPAMNXHB-AWEZNQCLSA-N 0 3 308.382 1.446 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588863021 354944541 /nfs/dbraw/zinc/94/45/41/354944541.db2.gz NYGMJSNDNLUBLN-KBPBESRZSA-N 0 3 319.361 1.184 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590446552 355099261 /nfs/dbraw/zinc/09/92/61/355099261.db2.gz UJAAVCQKXDYSIK-SWLSCSKDSA-N 0 3 318.377 1.559 20 5 DDBDHN Cc1cc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000591740952 355375743 /nfs/dbraw/zinc/37/57/43/355375743.db2.gz NMDMILVFAFLSIK-GFCCVEGCSA-N 0 3 306.322 1.156 20 5 DDBDHN Cc1cc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000591740952 355375745 /nfs/dbraw/zinc/37/57/45/355375745.db2.gz NMDMILVFAFLSIK-GFCCVEGCSA-N 0 3 306.322 1.156 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCc2cscn2)c1 ZINC000591754408 355377926 /nfs/dbraw/zinc/37/79/26/355377926.db2.gz JNRBHFUVSXLZMJ-ZDUSSCGKSA-N 0 3 323.374 1.623 20 5 DDBDHN COC[C@H]1C[C@@H](O)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000593065777 355784563 /nfs/dbraw/zinc/78/45/63/355784563.db2.gz CDPHQUFCFPNGCX-VXGBXAGGSA-N 0 3 323.349 1.005 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594199314 356137863 /nfs/dbraw/zinc/13/78/63/356137863.db2.gz JTELFQXANUVOET-QWHCGFSZSA-N 0 3 321.381 1.233 20 5 DDBDHN COc1cc(CN[C@H](C)C2(CO)CC2)c([N+](=O)[O-])cc1OC ZINC000594967376 356366064 /nfs/dbraw/zinc/36/60/64/356366064.db2.gz XSLRAHDHIVGNPA-SNVBAGLBSA-N 0 3 310.350 1.863 20 5 DDBDHN COc1ccc(NC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000595231201 356413444 /nfs/dbraw/zinc/41/34/44/356413444.db2.gz NJHKGWDTJYKZSJ-NXEZZACHSA-N 0 3 312.301 1.506 20 5 DDBDHN CN(CC1=CCCOC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595746966 356633717 /nfs/dbraw/zinc/63/37/17/356633717.db2.gz HKKRKBGSQHPHNN-CQSZACIVSA-N 0 3 322.361 1.613 20 5 DDBDHN C[C@H](N[C@@H]1C[C@H](O)C12CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595783624 356650743 /nfs/dbraw/zinc/65/07/43/356650743.db2.gz SIQRHYQFYJEKIE-GDLCADMTSA-N 0 3 319.361 1.815 20 5 DDBDHN COc1ccc(OCCN2C[C@@H](C)[C@@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000595872664 356686947 /nfs/dbraw/zinc/68/69/47/356686947.db2.gz KLOYHUHEBMQXKW-MLGOLLRUSA-N 0 3 324.377 1.933 20 5 DDBDHN Cc1c(CN)c(NC(=O)Cc2ccccc2[N+](=O)[O-])nn1C ZINC000595961234 356725133 /nfs/dbraw/zinc/72/51/33/356725133.db2.gz JTQNQVLLZRZOGB-UHFFFAOYSA-N 0 3 303.322 1.277 20 5 DDBDHN CCC[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CCN1CCOC ZINC000596176189 356802952 /nfs/dbraw/zinc/80/29/52/356802952.db2.gz AJURIZSYQMSJPE-LBPRGKRZSA-N 0 3 324.381 1.633 20 5 DDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000597859617 357361692 /nfs/dbraw/zinc/36/16/92/357361692.db2.gz WITWWHKSYVYJDB-SNVBAGLBSA-N 0 3 306.366 1.780 20 5 DDBDHN Cc1nn(C)c(C(=O)NC(C)(C)CN2CCCC2)c1[N+](=O)[O-] ZINC000598740741 357711558 /nfs/dbraw/zinc/71/15/58/357711558.db2.gz WGGAJWJSFMJUSD-UHFFFAOYSA-N 0 3 309.370 1.241 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCN1CC[C@@H](O)C1 ZINC000599085290 357810497 /nfs/dbraw/zinc/81/04/97/357810497.db2.gz ORZYPVSBWGZMAV-DGCLKSJQSA-N 0 3 309.366 1.321 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1(F)F ZINC000599512293 357960985 /nfs/dbraw/zinc/96/09/85/357960985.db2.gz HVGFEBSTIIXEKL-FOGDFJRCSA-N 0 3 318.324 1.375 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CC3(CCOCC3)CC[C@@H]2CO)n1 ZINC000599542838 357967948 /nfs/dbraw/zinc/96/79/48/357967948.db2.gz FBAUDQZHJPWQSV-CYBMUJFWSA-N 0 3 324.381 1.045 20 5 DDBDHN COC(=O)[C@@H]1C[C@@H](C)N(CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000599688683 358025862 /nfs/dbraw/zinc/02/58/62/358025862.db2.gz LLJMCMRKGCJBPJ-ZSBIGDGJSA-N 0 3 310.354 1.453 20 5 DDBDHN Cn1cc(CN[C@H]2C[C@@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601139679 358417915 /nfs/dbraw/zinc/41/79/15/358417915.db2.gz HFDNQJKRWRBDFU-VDISTLRHSA-N 0 3 316.361 1.856 20 5 DDBDHN Cc1cc(S(=O)(=O)[N-]C[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601419243 358543640 /nfs/dbraw/zinc/54/36/40/358543640.db2.gz GSPZTZXYLAZBPB-MRVPVSSYSA-N 0 3 321.424 1.441 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@]2(CCCOC2)C1 ZINC000602786928 359191905 /nfs/dbraw/zinc/19/19/05/359191905.db2.gz ZUUQCNJJDZKQCK-OAHLLOKOSA-N 0 3 308.382 1.992 20 5 DDBDHN NC(=O)[C@H]1C[C@@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602700651 359132933 /nfs/dbraw/zinc/13/29/33/359132933.db2.gz VIBGKABKAOMSLC-WAAGHKOSSA-N 0 3 317.267 1.967 20 5 DDBDHN C[C@]12CN(Cc3cccc([N+](=O)[O-])c3)C[C@@]1(C)C(=O)NC2=O ZINC000602729696 359153306 /nfs/dbraw/zinc/15/33/06/359153306.db2.gz BLYSWXFOZUHBKB-GASCZTMLSA-N 0 3 303.318 1.079 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](O)C[C@H]1c1ccccc1 ZINC000602839807 359228514 /nfs/dbraw/zinc/22/85/14/359228514.db2.gz IVAMJXIHFUMBNX-CABCVRRESA-N 0 3 316.361 1.908 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000602801073 359201333 /nfs/dbraw/zinc/20/13/33/359201333.db2.gz LFFDODLLVLXTAS-QWHCGFSZSA-N 0 3 310.398 1.829 20 5 DDBDHN CO[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)[C@@](C)(CO)C1 ZINC000602965036 359328916 /nfs/dbraw/zinc/32/89/16/359328916.db2.gz YDDXYAJCFPXIQG-LSDHHAIUSA-N 0 3 310.350 1.445 20 5 DDBDHN O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CSCCN3)cc2N1 ZINC000603419689 359629613 /nfs/dbraw/zinc/62/96/13/359629613.db2.gz PMUQZBZPMIDOPM-SNVBAGLBSA-N 0 3 322.390 1.596 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CNc2ccnn2C1 ZINC000609406848 360305407 /nfs/dbraw/zinc/30/54/07/360305407.db2.gz WVHQLMBTGDNAOH-LLVKDONJSA-N 0 3 317.349 1.631 20 5 DDBDHN CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000609631597 360339187 /nfs/dbraw/zinc/33/91/87/360339187.db2.gz DQTCOJWHSLLRIN-NSHDSACASA-N 0 3 307.350 1.552 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCc3c2cccc3F)c1 ZINC000610336029 360416280 /nfs/dbraw/zinc/41/62/80/360416280.db2.gz FKYKRWUVFMQUSO-NHYWBVRUSA-N 0 3 320.324 1.568 20 5 DDBDHN O=[N+]([O-])c1cccnc1N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000610489120 360450342 /nfs/dbraw/zinc/45/03/42/360450342.db2.gz FBZLIWUEYBVLBV-ZDUSSCGKSA-N 0 3 306.366 1.681 20 5 DDBDHN Nc1c(C(=O)N[C@H]2CCN(CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000610522708 360460700 /nfs/dbraw/zinc/46/07/00/360460700.db2.gz RHCFFBOTYLBCPH-NSHDSACASA-N 0 3 304.350 1.391 20 5 DDBDHN CN1CCC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000611147070 360636835 /nfs/dbraw/zinc/63/68/35/360636835.db2.gz UFJIKTOPYUKBQZ-ZDUSSCGKSA-N 0 3 306.366 1.531 20 5 DDBDHN CO[C@@]1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCOC1 ZINC000613108149 361270364 /nfs/dbraw/zinc/27/03/64/361270364.db2.gz LZNCJOSJQQMBAL-OAHLLOKOSA-N 0 3 324.333 1.261 20 5 DDBDHN C[NH2+]CCC[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000193236603 201011077 /nfs/dbraw/zinc/01/10/77/201011077.db2.gz GCYHWBVLNJADEE-UHFFFAOYSA-N 0 3 321.786 1.444 20 5 DDBDHN COCCN(CCc1ccccc1)CCn1cc([N+](=O)[O-])cn1 ZINC000350725020 284249651 /nfs/dbraw/zinc/24/96/51/284249651.db2.gz RLMDRKPTQQHVNP-UHFFFAOYSA-N 0 3 318.377 1.982 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000264914894 204265133 /nfs/dbraw/zinc/26/51/33/204265133.db2.gz OCXKYETXTHMVET-LBPRGKRZSA-N 0 3 307.350 1.574 20 5 DDBDHN Cc1n[nH]c(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288473205 220165163 /nfs/dbraw/zinc/16/51/63/220165163.db2.gz QNIACTBUTYEIDS-ONGXEEELSA-N 0 3 307.354 1.325 20 5 DDBDHN COC(=O)CC[C@@H](N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000288495802 220180633 /nfs/dbraw/zinc/18/06/33/220180633.db2.gz AWXQXYZWSGVNLM-BXKDBHETSA-N 0 3 309.322 1.053 20 5 DDBDHN COc1cc(N2CCN(C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000267356180 206006712 /nfs/dbraw/zinc/00/67/12/206006712.db2.gz HGBHLZHVZGJBTF-ZDUSSCGKSA-N 0 3 321.377 1.762 20 5 DDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000267558980 206144915 /nfs/dbraw/zinc/14/49/15/206144915.db2.gz CVJKRKBZXNMPQR-MNOVXSKESA-N 0 3 307.354 1.325 20 5 DDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000267558980 206144917 /nfs/dbraw/zinc/14/49/17/206144917.db2.gz CVJKRKBZXNMPQR-MNOVXSKESA-N 0 3 307.354 1.325 20 5 DDBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@@H]1N(C)C ZINC000270923778 248710340 /nfs/dbraw/zinc/71/03/40/248710340.db2.gz BEKZGSDZRVWLIK-WDEREUQCSA-N 0 3 323.378 1.613 20 5 DDBDHN CNc1c(C(=O)N(C)CCN2CCCC2)cccc1[N+](=O)[O-] ZINC000336859494 249266788 /nfs/dbraw/zinc/26/67/88/249266788.db2.gz HVRAWGPTKZOAAK-UHFFFAOYSA-N 0 3 306.366 1.804 20 5 DDBDHN CC1CCN(C[C@H](O)CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000337013033 249314438 /nfs/dbraw/zinc/31/44/38/249314438.db2.gz IQMAOBUYBUPMLB-CYBMUJFWSA-N 0 3 321.377 1.417 20 5 DDBDHN CC(C)[C@H](CCO)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274072481 211330123 /nfs/dbraw/zinc/33/01/23/211330123.db2.gz RMMPREQZRSSLOF-RYUDHWBXSA-N 0 3 309.366 1.918 20 5 DDBDHN Cc1c(CN2CCO[C@@H]3CCN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000284471386 218040664 /nfs/dbraw/zinc/04/06/64/218040664.db2.gz AGLHBCNXDNPPAF-HZPDHXFCSA-N 0 3 305.378 1.808 20 5 DDBDHN CO[C@H]1C[C@@H](CN(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)N(C)C1 ZINC000284659388 218120047 /nfs/dbraw/zinc/12/00/47/218120047.db2.gz XPVJMGXVRVDHNI-RYUDHWBXSA-N 0 3 319.365 1.626 20 5 DDBDHN CN(C)[C@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000105177108 194081956 /nfs/dbraw/zinc/08/19/56/194081956.db2.gz NBTYYUMJGLGJLU-HNNXBMFYSA-N 0 3 320.393 1.873 20 5 DDBDHN CN(C)CCN(CC1CCCCC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000284994342 218249402 /nfs/dbraw/zinc/24/94/02/218249402.db2.gz BRNFTGCWQAAGQJ-UHFFFAOYSA-N 0 3 323.397 1.902 20 5 DDBDHN COC(=O)[C@@H]1CN(C)CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000413511422 533010075 /nfs/dbraw/zinc/01/00/75/533010075.db2.gz ZPPXCCZZAOLRPI-GFCCVEGCSA-N 0 3 307.350 1.444 20 5 DDBDHN CO[C@H](CN)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289499217 221020772 /nfs/dbraw/zinc/02/07/72/221020772.db2.gz GWYQEYDCZBZSGD-LLVKDONJSA-N 0 3 301.730 1.180 20 5 DDBDHN COCCOC[C@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000294887110 224287009 /nfs/dbraw/zinc/28/70/09/224287009.db2.gz CQZMAJFVUMBAGI-TZMCWYRMSA-N 0 3 312.366 1.578 20 5 DDBDHN CN(C(=O)CN[C@H]1CCOC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000295139897 224463747 /nfs/dbraw/zinc/46/37/47/224463747.db2.gz BZXAZOSTRZLKEL-ZDUSSCGKSA-N 0 3 307.350 1.715 20 5 DDBDHN COc1cnccc1N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000360257540 299620619 /nfs/dbraw/zinc/62/06/19/299620619.db2.gz LGXSIKXIISHVMC-UHFFFAOYSA-N 0 3 315.333 1.720 20 5 DDBDHN Cc1cccc(CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000266575924 407566220 /nfs/dbraw/zinc/56/62/20/407566220.db2.gz LWRSROHMIWCUHC-OAHLLOKOSA-N 0 3 304.350 1.593 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000046132938 407055212 /nfs/dbraw/zinc/05/52/12/407055212.db2.gz WECJUHNPQVOIPM-ZDUSSCGKSA-N 0 3 307.350 1.574 20 5 DDBDHN CN(CC1CCN(C)CC1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000103450887 407340154 /nfs/dbraw/zinc/34/01/54/407340154.db2.gz ZLFVBUHXOLVLBQ-UHFFFAOYSA-N 0 3 323.397 1.327 20 5 DDBDHN C[C@@]1(O)CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000124923243 407373731 /nfs/dbraw/zinc/37/37/31/407373731.db2.gz DUJKMJLQPYTLEM-OAHLLOKOSA-N 0 3 307.350 1.770 20 5 DDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000126251838 407409414 /nfs/dbraw/zinc/40/94/14/407409414.db2.gz ROQGBYJPHYNDFM-GWCFXTLKSA-N 0 3 306.366 1.589 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC2(c3ccccc3)CCC2)c1 ZINC000266630792 407586459 /nfs/dbraw/zinc/58/64/59/407586459.db2.gz ITATVOXCTLIBQF-OAHLLOKOSA-N 0 3 316.361 1.821 20 5 DDBDHN Cn1ccnc1[C@@H]1CNCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000261745741 407600497 /nfs/dbraw/zinc/60/04/97/407600497.db2.gz LFMWEERYUZVSND-AWEZNQCLSA-N 0 3 319.340 1.614 20 5 DDBDHN C[C@@H]1OCC[C@]1(O)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000227967173 407640844 /nfs/dbraw/zinc/64/08/44/407640844.db2.gz YPDSZAHGVXLCRD-ZANVPECISA-N 0 3 300.742 1.878 20 5 DDBDHN Cc1cc(CN(C)C)cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000130227065 407667947 /nfs/dbraw/zinc/66/79/47/407667947.db2.gz XBPYVDDCOCDQEX-UHFFFAOYSA-N 0 3 303.322 1.940 20 5 DDBDHN COC(=O)[C@@H]1CC12CCN(CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000266919046 407675010 /nfs/dbraw/zinc/67/50/10/407675010.db2.gz HKMRFLAMLRCQEK-LBPRGKRZSA-N 0 3 308.338 1.066 20 5 DDBDHN CC[C@H](NC(=O)CNC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000237003895 407790609 /nfs/dbraw/zinc/79/06/09/407790609.db2.gz MJRDSJWCGKLZEL-CABCVRRESA-N 0 3 321.377 1.931 20 5 DDBDHN CC[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(C)noc1C ZINC000182394410 306704479 /nfs/dbraw/zinc/70/44/79/306704479.db2.gz UAPLUPYQMXEJBV-OLZOCXBDSA-N 0 3 323.353 1.498 20 5 DDBDHN CCN(C)C(=O)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000153511907 407842295 /nfs/dbraw/zinc/84/22/95/407842295.db2.gz BBJXIGPASNABMT-LBPRGKRZSA-N 0 3 321.381 1.344 20 5 DDBDHN CN(C)[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000117786540 407859688 /nfs/dbraw/zinc/85/96/88/407859688.db2.gz KTGUJEXVNRJFJL-LBPRGKRZSA-N 0 3 311.769 1.953 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118096605 407886010 /nfs/dbraw/zinc/88/60/10/407886010.db2.gz FNUWSNJSUOELMG-CYBMUJFWSA-N 0 3 320.349 1.134 20 5 DDBDHN CC(C)C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])N(C)C ZINC000181076731 407951618 /nfs/dbraw/zinc/95/16/18/407951618.db2.gz VABLGZNWYHNGHQ-NSHDSACASA-N 0 3 308.382 1.883 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000245404341 407962366 /nfs/dbraw/zinc/96/23/66/407962366.db2.gz OWUCDDOSKZKTFU-TZMCWYRMSA-N 0 3 310.350 1.445 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134624403 407917720 /nfs/dbraw/zinc/91/77/20/407917720.db2.gz OVTZDWVUJZGSED-CYBMUJFWSA-N 0 3 316.361 1.829 20 5 DDBDHN C[C@H]1CCCCN1CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000175993631 408258938 /nfs/dbraw/zinc/25/89/38/408258938.db2.gz VXXLQYZGWAYKGB-NSHDSACASA-N 0 3 306.366 1.781 20 5 DDBDHN CN(C)CCn1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)n1 ZINC000176282215 408332719 /nfs/dbraw/zinc/33/27/19/408332719.db2.gz LHVUYHMFRNESIZ-UHFFFAOYSA-N 0 3 318.337 1.187 20 5 DDBDHN COCCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000263814168 408270269 /nfs/dbraw/zinc/27/02/69/408270269.db2.gz XRRSNVAETXESGT-UHFFFAOYSA-N 0 3 310.354 1.154 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000246557415 408290019 /nfs/dbraw/zinc/29/00/19/408290019.db2.gz WLBDONHHXDRCQM-MWLCHTKSSA-N 0 3 309.370 1.339 20 5 DDBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1(CO)CCOCC1 ZINC000191017800 408358895 /nfs/dbraw/zinc/35/88/95/408358895.db2.gz SFTHUNTZTFFJHN-CQSZACIVSA-N 0 3 310.350 1.102 20 5 DDBDHN CN(CCN(C)C1CC1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000274589219 408460068 /nfs/dbraw/zinc/46/00/68/408460068.db2.gz QHCFMPRSWOUXRW-UHFFFAOYSA-N 0 3 321.377 1.916 20 5 DDBDHN CN1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@H]1c1ccccc1 ZINC000270338983 408493138 /nfs/dbraw/zinc/49/31/38/408493138.db2.gz ZBGUPNRJIBOLBA-DGCLKSJQSA-N 0 3 314.349 1.824 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CN1C1CC1 ZINC000177121074 408525247 /nfs/dbraw/zinc/52/52/47/408525247.db2.gz UMKKDXRQWQXLLT-ZJUUUORDSA-N 0 3 304.350 1.532 20 5 DDBDHN COc1cc(C(=O)NC[C@H]2CCCN2C)cc([N+](=O)[O-])c1C ZINC000191714672 408474877 /nfs/dbraw/zinc/47/48/77/408474877.db2.gz AKFODJPOTGAIND-GFCCVEGCSA-N 0 3 307.350 1.736 20 5 DDBDHN CN1CC[C@@H]2[C@H](CCCN2c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000192150085 408550121 /nfs/dbraw/zinc/55/01/21/408550121.db2.gz XTDHZEGWSRCGDX-CHWSQXEVSA-N 0 3 318.377 1.614 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2c2ccncc2)c1 ZINC000270544549 408572787 /nfs/dbraw/zinc/57/27/87/408572787.db2.gz MBWJOXNFVCFQGS-CABCVRRESA-N 0 3 317.349 1.384 20 5 DDBDHN CNC(=O)c1ccc(N(C)C[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000265186489 408573870 /nfs/dbraw/zinc/57/38/70/408573870.db2.gz GFRZAMPCXJTVIL-LBPRGKRZSA-N 0 3 320.393 1.732 20 5 DDBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000178192123 408786300 /nfs/dbraw/zinc/78/63/00/408786300.db2.gz BNTVLGJXGXXHDN-NSHDSACASA-N 0 3 306.366 1.733 20 5 DDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1N(C)C ZINC000276421900 408855135 /nfs/dbraw/zinc/85/51/35/408855135.db2.gz XLIJFGYGNFCMGS-STQMWFEESA-N 0 3 324.406 1.295 20 5 DDBDHN COc1cccc2c1CCN(CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000193725524 163265816 /nfs/dbraw/zinc/26/58/16/163265816.db2.gz BUFVJERXGQKPAP-UHFFFAOYSA-N 0 3 316.361 1.901 20 5 DDBDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000293325948 409090223 /nfs/dbraw/zinc/09/02/23/409090223.db2.gz GERMDTZPVSWVJV-BETUJISGSA-N 0 3 320.393 1.948 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000293331383 409091533 /nfs/dbraw/zinc/09/15/33/409091533.db2.gz GNSGIIAPTLFDFG-VNHYZAJKSA-N 0 3 323.393 1.359 20 5 DDBDHN C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCN(C2CCC2)C1 ZINC000293716421 409166610 /nfs/dbraw/zinc/16/66/10/409166610.db2.gz PBBIMZAVFRBVOD-LBPRGKRZSA-N 0 3 321.381 1.124 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C(C)(C)C(N)=O ZINC000295609640 409357405 /nfs/dbraw/zinc/35/74/05/409357405.db2.gz DBNLNCLSMBHLTG-UHFFFAOYSA-N 0 3 322.365 1.428 20 5 DDBDHN C[C@H](NCCCS(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284980604 409388085 /nfs/dbraw/zinc/38/80/85/409388085.db2.gz GDEVYLMHVNGOFL-VIFPVBQESA-N 0 3 301.368 1.262 20 5 DDBDHN CNc1c(C(=O)N(C)CCN(C)C2CC2)cccc1[N+](=O)[O-] ZINC000354081300 409636760 /nfs/dbraw/zinc/63/67/60/409636760.db2.gz CVIOMBQOMYLJNB-UHFFFAOYSA-N 0 3 306.366 1.803 20 5 DDBDHN NC1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000296863244 409672853 /nfs/dbraw/zinc/67/28/53/409672853.db2.gz PDGAMPOOIVLDBF-UHFFFAOYSA-N 0 3 319.361 1.846 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@@H](C)N(C)C ZINC000297884285 410036479 /nfs/dbraw/zinc/03/64/79/410036479.db2.gz NPPOTOQNTXNLQS-LLVKDONJSA-N 0 3 322.365 1.216 20 5 DDBDHN CCN1CC[C@@H]2OCCN(Cc3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000339396118 410158709 /nfs/dbraw/zinc/15/87/09/410158709.db2.gz TWECKCWIRXRMQP-OLZOCXBDSA-N 0 3 311.407 1.951 20 5 DDBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000298719334 410367364 /nfs/dbraw/zinc/36/73/64/410367364.db2.gz KIHBIMCPHWAUKI-UKRRQHHQSA-N 0 3 310.350 1.445 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343460457 410471808 /nfs/dbraw/zinc/47/18/08/410471808.db2.gz RVBOVKYMYFVITK-OLZOCXBDSA-N 0 3 320.393 1.996 20 5 DDBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347431515 410544436 /nfs/dbraw/zinc/54/44/36/410544436.db2.gz OBUWYIGMQQRENA-UHFFFAOYSA-N 0 3 317.349 1.951 20 5 DDBDHN COC1CC(N(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000352214146 410556257 /nfs/dbraw/zinc/55/62/57/410556257.db2.gz YGYYFUSYZRVEEK-OWYJLGKBSA-N 0 3 310.350 1.444 20 5 DDBDHN CN(C)CCn1nccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000359504051 410695312 /nfs/dbraw/zinc/69/53/12/410695312.db2.gz YWTQFJQBQOLPBV-UHFFFAOYSA-N 0 3 317.349 1.534 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343802150 410711332 /nfs/dbraw/zinc/71/13/32/410711332.db2.gz SORXJRVKRHHPSW-WFASDCNBSA-N 0 3 320.393 1.919 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@@H]1N(C)C ZINC000330500931 410731615 /nfs/dbraw/zinc/73/16/15/410731615.db2.gz RWYCROKTSOGYGG-QWHCGFSZSA-N 0 3 324.406 1.416 20 5 DDBDHN CC[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)N(CC)CC ZINC000359676985 410809458 /nfs/dbraw/zinc/80/94/58/410809458.db2.gz IADKAOZVLNFLHA-CYBMUJFWSA-N 0 3 319.365 2.530 20 5 DDBDHN C[C@H](N[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(=O)NCCF ZINC000337502576 410829683 /nfs/dbraw/zinc/82/96/83/410829683.db2.gz LYZYGLSHINKFSQ-FZMZJTMJSA-N 0 3 323.368 1.980 20 5 DDBDHN CN(C)[C@@H]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000330632823 410842322 /nfs/dbraw/zinc/84/23/22/410842322.db2.gz IVCCKBRXZNREKO-LLVKDONJSA-N 0 3 309.370 1.079 20 5 DDBDHN COc1cc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000330679905 410872460 /nfs/dbraw/zinc/87/24/60/410872460.db2.gz YESWMKLXPYYBOU-ZYHUDNBSSA-N 0 3 309.366 1.881 20 5 DDBDHN COc1cc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000330679905 410872464 /nfs/dbraw/zinc/87/24/64/410872464.db2.gz YESWMKLXPYYBOU-ZYHUDNBSSA-N 0 3 309.366 1.881 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C1CC(O)C1 ZINC000353532578 411051634 /nfs/dbraw/zinc/05/16/34/411051634.db2.gz VMUVFXADYBMXSR-UHFFFAOYSA-N 0 3 323.349 1.387 20 5 DDBDHN C[C@@H](CO)N1CCCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000373743604 418455753 /nfs/dbraw/zinc/45/57/53/418455753.db2.gz WYHCJROEHUIDRC-AWEZNQCLSA-N 0 3 323.393 1.362 20 5 DDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC(=O)NCC(F)F ZINC000360773343 418514558 /nfs/dbraw/zinc/51/45/58/418514558.db2.gz RJYDJAKLVLMKQR-BJMVGYQFSA-N 0 3 313.304 1.969 20 5 DDBDHN CNc1c(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000360931175 418549246 /nfs/dbraw/zinc/54/92/46/418549246.db2.gz MHWBMPPJSHRXCT-ZYHUDNBSSA-N 0 3 306.366 1.849 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000375011466 418586882 /nfs/dbraw/zinc/58/68/82/418586882.db2.gz FZGIKRQOISLMBE-KGLIPLIRSA-N 0 3 308.382 1.930 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H](n3cccn3)C2)c1 ZINC000368269710 418712498 /nfs/dbraw/zinc/71/24/98/418712498.db2.gz NADPGSWZQSMRDC-GJZGRUSLSA-N 0 3 302.334 1.772 20 5 DDBDHN O=C1NC[C@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]12 ZINC000368064697 418682570 /nfs/dbraw/zinc/68/25/70/418682570.db2.gz QNHFRCFPTHJPCW-SMDDNHRTSA-N 0 3 305.334 1.042 20 5 DDBDHN O=C1NC[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]12 ZINC000368064696 418683157 /nfs/dbraw/zinc/68/31/57/418683157.db2.gz QNHFRCFPTHJPCW-RISCZKNCSA-N 0 3 305.334 1.042 20 5 DDBDHN CN1CC[C@@H]2OCCN(c3nc4sccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC000408028072 418782955 /nfs/dbraw/zinc/78/29/55/418782955.db2.gz CJENSKMOUNEANE-ZJUUUORDSA-N 0 3 323.378 1.213 20 5 DDBDHN C[C@@H]1[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000411430314 418903660 /nfs/dbraw/zinc/90/36/60/418903660.db2.gz OALBNPRODBTTJM-CHWSQXEVSA-N 0 3 320.393 1.948 20 5 DDBDHN Cc1c(CNC(=O)N2CCN[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000418082583 419520588 /nfs/dbraw/zinc/52/05/88/419520588.db2.gz QQILTMJZPHTKSP-NWDGAFQWSA-N 0 3 306.366 1.795 20 5 DDBDHN CN(C[C@@H]1CCCN1C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000421701626 419689434 /nfs/dbraw/zinc/68/94/34/419689434.db2.gz HZVJSHWLYFUTMT-ZDUSSCGKSA-N 0 3 307.350 1.526 20 5 DDBDHN Cc1n[nH]c(C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000299578641 229227138 /nfs/dbraw/zinc/22/71/38/229227138.db2.gz XEDPTULILQQYAX-GARJFASQSA-N 0 3 323.397 1.723 20 5 DDBDHN NCc1cn([C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000415135512 419961057 /nfs/dbraw/zinc/96/10/57/419961057.db2.gz WSFOQLKRFPNEHG-OAHLLOKOSA-N 0 3 316.365 1.482 20 5 DDBDHN COc1cc(C(=O)N2CCN[C@@H](C)[C@H]2C)cc([N+](=O)[O-])c1C ZINC000423606365 420096861 /nfs/dbraw/zinc/09/68/61/420096861.db2.gz KCVYIMWSWXVXJH-WDEREUQCSA-N 0 3 307.350 1.734 20 5 DDBDHN CCCC[C@@H](CN)NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000415491902 420088849 /nfs/dbraw/zinc/08/88/49/420088849.db2.gz DVORXZLZTHEVLW-LBPRGKRZSA-N 0 3 322.365 1.475 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCNC[C@](C)(F)C1 ZINC000420324039 420207391 /nfs/dbraw/zinc/20/73/91/420207391.db2.gz ANYKXMZWBUXHDL-HNNXBMFYSA-N 0 3 324.356 1.475 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000420435417 420283708 /nfs/dbraw/zinc/28/37/08/420283708.db2.gz GSRNSLLHCNDJBK-UWVGGRQHSA-N 0 3 301.368 1.226 20 5 DDBDHN N[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1c1cccc(F)c1 ZINC000424013995 420306580 /nfs/dbraw/zinc/30/65/80/420306580.db2.gz SLUCRCOGEKGJII-NWDGAFQWSA-N 0 3 319.292 1.894 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000440799997 420607687 /nfs/dbraw/zinc/60/76/87/420607687.db2.gz DFSJXNLOPOAKKV-MNOVXSKESA-N 0 3 313.379 1.180 20 5 DDBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000457094617 420609641 /nfs/dbraw/zinc/60/96/41/420609641.db2.gz OUNWPHHDRXKANG-JTQLQIEISA-N 0 3 307.354 1.127 20 5 DDBDHN CO[C@@H]1COC[C@@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000459828475 420885426 /nfs/dbraw/zinc/88/54/26/420885426.db2.gz OGUZSBBTFINRJL-UONOGXRCSA-N 0 3 323.349 1.235 20 5 DDBDHN C[C@H]1CCN(CCNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000525291586 421285557 /nfs/dbraw/zinc/28/55/57/421285557.db2.gz KMTVASBYQLHLIX-ZDUSSCGKSA-N 0 3 320.393 1.855 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(CC[C@H]3CCCO3)CC2)cn1 ZINC000526058572 421327190 /nfs/dbraw/zinc/32/71/90/421327190.db2.gz BZULSBGECWBIGO-CQSZACIVSA-N 0 3 306.366 1.681 20 5 DDBDHN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCCN(C2CCCC2)CC1 ZINC000548420030 421435353 /nfs/dbraw/zinc/43/53/53/421435353.db2.gz BBWWAFPKCVDOEV-UHFFFAOYSA-N 0 3 307.354 1.408 20 5 DDBDHN CNc1nccc(C(=O)N2CCCC[C@H]2CN(C)C)c1[N+](=O)[O-] ZINC000565182581 421596683 /nfs/dbraw/zinc/59/66/83/421596683.db2.gz SNGHGAIJLNFLPN-NSHDSACASA-N 0 3 321.381 1.588 20 5 DDBDHN CN(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000589101722 422316979 /nfs/dbraw/zinc/31/69/79/422316979.db2.gz JBUIFNTVZQZLKV-CYBMUJFWSA-N 0 3 316.361 1.991 20 5 DDBDHN CN(C)[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000590574175 422320411 /nfs/dbraw/zinc/32/04/11/422320411.db2.gz CZGBUAZHZSNEBL-CYBMUJFWSA-N 0 3 319.340 2.426 20 5 DDBDHN CCN1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000344416435 272020820 /nfs/dbraw/zinc/02/08/20/272020820.db2.gz JDYZOXRTRCPRKI-CYBMUJFWSA-N 0 3 307.398 1.675 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2N(C)CCCC2(C)C)n1 ZINC000344738696 272105516 /nfs/dbraw/zinc/10/55/16/272105516.db2.gz ZSXYMHLSRLKIHT-LBPRGKRZSA-N 0 3 323.397 1.661 20 5 DDBDHN C[C@@H](O)CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000281367901 274267772 /nfs/dbraw/zinc/26/77/72/274267772.db2.gz OICSYSOMQITISU-LLVKDONJSA-N 0 3 319.365 1.364 20 5 DDBDHN CCS(=O)(=O)NCCN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449105587 280026676 /nfs/dbraw/zinc/02/66/76/280026676.db2.gz ZBTWTBNZXWKJQH-LLVKDONJSA-N 0 3 315.395 1.055 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000363103381 300211185 /nfs/dbraw/zinc/21/11/85/300211185.db2.gz HVEBEGFFEYNWLO-KBPBESRZSA-N 0 3 319.361 1.496 20 5 DDBDHN NC(=O)c1ccc(N2CC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000364064141 300340209 /nfs/dbraw/zinc/34/02/09/300340209.db2.gz AOYAEBARVUSINH-LBPRGKRZSA-N 0 3 304.350 1.368 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000368587932 301059151 /nfs/dbraw/zinc/05/91/51/301059151.db2.gz BUQQVMYWXKYPHJ-OCCSQVGLSA-N 0 3 319.361 1.526 20 5 DDBDHN O=[N+]([O-])c1ccccc1CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000369282392 301156224 /nfs/dbraw/zinc/15/62/24/301156224.db2.gz ZUHJQAROACAONE-HZPDHXFCSA-N 0 3 305.378 1.626 20 5 DDBDHN COc1ccc(OCCN2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000370083098 301272541 /nfs/dbraw/zinc/27/25/41/301272541.db2.gz PLMWZWPMACITSL-MRXNPFEDSA-N 0 3 322.361 1.829 20 5 DDBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531883056 303263252 /nfs/dbraw/zinc/26/32/52/303263252.db2.gz WWQKNFXOOYARCJ-VXGBXAGGSA-N 0 3 306.366 1.983 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CN(C)CCN1C ZINC000531970541 303268320 /nfs/dbraw/zinc/26/83/20/303268320.db2.gz CRTUHCUNKJGXHM-UKRRQHHQSA-N 0 3 306.410 1.800 20 5 DDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H]1N(C)C ZINC000537924110 303381521 /nfs/dbraw/zinc/38/15/21/303381521.db2.gz OXSAQPAMUYJVCA-RYUDHWBXSA-N 0 3 312.395 1.051 20 5 DDBDHN CCCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000364443154 307045605 /nfs/dbraw/zinc/04/56/05/307045605.db2.gz HVOZVJCTUQGROG-UHFFFAOYSA-N 0 3 306.366 1.735 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366304616 307070407 /nfs/dbraw/zinc/07/04/07/307070407.db2.gz ANBYSSWQTDZQJO-ZKYQVNSYSA-N 0 3 317.345 1.559 20 5 DDBDHN CCN(CC)CCn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000566796112 308063787 /nfs/dbraw/zinc/06/37/87/308063787.db2.gz KMYWQTJSCVTUKG-UHFFFAOYSA-N 0 3 306.322 1.753 20 5 DDBDHN Cc1ccncc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000562998941 484328263 /nfs/dbraw/zinc/32/82/63/484328263.db2.gz VHARHSDKQHZEKK-CQSZACIVSA-N 0 3 317.345 1.828 20 5 DDBDHN CO[C@@H]1C[C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000451496038 490263393 /nfs/dbraw/zinc/26/33/93/490263393.db2.gz LOXNUFSAGVQUIQ-CHWSQXEVSA-N 0 3 307.350 1.597 20 5 DDBDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414666863 534147512 /nfs/dbraw/zinc/14/75/12/534147512.db2.gz WYBHRPPZINGZNI-CABZTGNLSA-N 0 3 308.338 1.829 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC(=O)N(C)C1=O ZINC000424311798 534254449 /nfs/dbraw/zinc/25/44/49/534254449.db2.gz FTKWPPZEHRPAPT-CMPLNLGQSA-N 0 3 305.334 1.263 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCSC[C@H]1C1CC1 ZINC000451646421 534320083 /nfs/dbraw/zinc/32/00/83/534320083.db2.gz FKBCFBVPJHNJAB-ZDUSSCGKSA-N 0 3 309.391 1.584 20 5 DDBDHN CC[C@@H](NC[C@@H](O)Cn1ccnn1)c1cccc([N+](=O)[O-])c1 ZINC000414178798 529174364 /nfs/dbraw/zinc/17/43/64/529174364.db2.gz KFWRWNWYDVTUJK-ZIAGYGMSSA-N 0 3 305.338 1.288 20 5 DDBDHN O=[N+]([O-])c1ccc(Br)c(OC[C@H]2CNCCO2)c1 ZINC000230804171 697784598 /nfs/dbraw/zinc/78/45/98/697784598.db2.gz YFEGHZONILMZBR-SECBINFHSA-N 0 3 317.139 1.725 20 5 DDBDHN CC(C)N1CCO[C@H](C(=N)NOCc2ccccc2[N+](=O)[O-])C1 ZINC000779654733 698449958 /nfs/dbraw/zinc/44/99/58/698449958.db2.gz QQQWUCJVDZYUNG-AWEZNQCLSA-N 0 3 322.365 1.702 20 5 DDBDHN COCCN1CC[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000730733781 699514798 /nfs/dbraw/zinc/51/47/98/699514798.db2.gz OBFJHKYNSULUQM-LBPRGKRZSA-N 0 3 324.406 1.602 20 5 DDBDHN CC(COC(=O)COc1ccc(N2CCCC2=O)cc1)[N+](=O)[O-] ZINC000813102681 702290925 /nfs/dbraw/zinc/29/09/25/702290925.db2.gz ISIZVJVRCDIHEF-NSHDSACASA-N 0 3 322.317 1.401 20 5 DDBDHN CC(COC(=O)c1cccc(NC(=O)NC2CC2)c1)[N+](=O)[O-] ZINC000813102193 702291117 /nfs/dbraw/zinc/29/11/17/702291117.db2.gz PCGIUWFFEIVIFA-SECBINFHSA-N 0 3 307.306 1.793 20 5 DDBDHN CC(COC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[N+](=O)[O-] ZINC000813104220 702292015 /nfs/dbraw/zinc/29/20/15/702292015.db2.gz YJBYHUJYENLMHC-SECBINFHSA-N 0 3 320.261 1.603 20 5 DDBDHN CSc1nc(C)c(CCC(=O)OCC(C)[N+](=O)[O-])c(C)n1 ZINC000813106229 702293176 /nfs/dbraw/zinc/29/31/76/702293176.db2.gz AZVUWQCPUQOUBS-QMMMGPOBSA-N 0 3 313.379 1.956 20 5 DDBDHN CC(COC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O)[N+](=O)[O-] ZINC000813107122 702293831 /nfs/dbraw/zinc/29/38/31/702293831.db2.gz KCFGOFSYTAYNRL-MRVPVSSYSA-N 0 3 322.317 1.764 20 5 DDBDHN CC(COC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)[N+](=O)[O-] ZINC000813107709 702294238 /nfs/dbraw/zinc/29/42/38/702294238.db2.gz URAKLBCCXMNBOJ-JSGCOSHPSA-N 0 3 320.345 1.747 20 5 DDBDHN CC(COC(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)[N+](=O)[O-] ZINC000813109831 702296298 /nfs/dbraw/zinc/29/62/98/702296298.db2.gz PMKCFVKQUSTRRO-UTUOFQBUSA-N 0 3 323.349 1.517 20 5 DDBDHN CC(COC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)[N+](=O)[O-] ZINC000813115232 702299347 /nfs/dbraw/zinc/29/93/47/702299347.db2.gz NMPODYOLOGBBSO-JGVFFNPUSA-N 0 3 310.331 1.941 20 5 DDBDHN Cc1cc(C(=O)N(C)C[C@@H]2CCCN2C)c(N)c([N+](=O)[O-])c1 ZINC000817677555 702448197 /nfs/dbraw/zinc/44/81/97/702448197.db2.gz XYAUDSJEAVRPAH-NSHDSACASA-N 0 3 306.366 1.652 20 5 DDBDHN CN(C[C@H]1CCCN1C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000817679649 702448912 /nfs/dbraw/zinc/44/89/12/702448912.db2.gz VENUOKWZJGOQBL-ZIAGYGMSSA-N 0 3 307.350 1.181 20 5 DDBDHN C[C@@H](N[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C(=O)NCCF ZINC000866355079 706680143 /nfs/dbraw/zinc/68/01/43/706680143.db2.gz SWGFUQRAOHSBGO-VHSXEESVSA-N 0 3 315.320 1.729 20 5 DDBDHN CC(COC(=O)c1ccc(C(=O)OC(C)(C)C)cn1)[N+](=O)[O-] ZINC000842802154 702776490 /nfs/dbraw/zinc/77/64/90/702776490.db2.gz RIPBKAHKKFCKEO-VIFPVBQESA-N 0 3 310.306 1.859 20 5 DDBDHN C[C@H](NC[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848569840 703563834 /nfs/dbraw/zinc/56/38/34/703563834.db2.gz HUZIMJTXFDCCDN-JOYOIKCWSA-N 0 3 320.349 1.811 20 5 DDBDHN CN1C[C@@H]2CCCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000819717202 704163440 /nfs/dbraw/zinc/16/34/40/704163440.db2.gz DLLBHNNWHKXCCQ-IINYFYTJSA-N 0 3 307.325 1.900 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874848149 705201596 /nfs/dbraw/zinc/20/15/96/705201596.db2.gz RUWYMZWEGNRLQP-KGLIPLIRSA-N 0 3 304.350 1.607 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H](n3ccnn3)C2)c1 ZINC000823469102 705250237 /nfs/dbraw/zinc/25/02/37/705250237.db2.gz OQPLJUWJXPHQFP-LSDHHAIUSA-N 0 3 317.349 1.557 20 5 DDBDHN CC([C@H](OC(=O)[C@@H]1COC(=O)N1)c1ccccc1F)[N+](=O)[O-] ZINC000860854676 705301163 /nfs/dbraw/zinc/30/11/63/705301163.db2.gz GAYPFJLYRDRTAF-SWPVVBRQSA-N 0 3 312.253 1.184 20 5 DDBDHN CN(C)CCN(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000879063018 706576908 /nfs/dbraw/zinc/57/69/08/706576908.db2.gz IJANVZVUKFDEOM-UHFFFAOYSA-N 0 3 323.349 1.390 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000871673731 707164508 /nfs/dbraw/zinc/16/45/08/707164508.db2.gz NINFNBLSFHKYDZ-ZDUSSCGKSA-N 0 3 314.345 1.378 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCCN3CCO)n1 ZINC000897221941 708259501 /nfs/dbraw/zinc/25/95/01/708259501.db2.gz QOMCJTZXKNQCEC-QWHCGFSZSA-N 0 3 306.366 1.334 20 5 DDBDHN Cn1nccc1[C@@H](O)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000897302668 708284302 /nfs/dbraw/zinc/28/43/02/708284302.db2.gz TWHLLVVZPJDLGT-ZDUSSCGKSA-N 0 3 310.741 1.805 20 5 DDBDHN C[C@H](CS(C)(=O)=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463781 708339266 /nfs/dbraw/zinc/33/92/66/708339266.db2.gz IUPMBQXLMGXPJX-WDEREUQCSA-N 0 3 300.380 1.721 20 5 DDBDHN Cc1ccc(CNC(=O)N2CCN[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000892537242 710454166 /nfs/dbraw/zinc/45/41/66/710454166.db2.gz QGMSIZZBLVEYDN-NWDGAFQWSA-N 0 3 306.366 1.795 20 5 DDBDHN CC1(C)CNCCN1C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911849083 711031177 /nfs/dbraw/zinc/03/11/77/711031177.db2.gz YZFXIJZCIRNNQJ-KBPBESRZSA-N 0 3 303.362 1.909 20 5 DDBDHN CN1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(NC[C@H]2CCN2C)n1 ZINC000895770309 711601339 /nfs/dbraw/zinc/60/13/39/711601339.db2.gz LUBOMHMXXRLYHB-VXGBXAGGSA-N 0 3 320.397 1.222 20 5 DDBDHN CC(C)N1CCC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000929411493 713605040 /nfs/dbraw/zinc/60/50/40/713605040.db2.gz JXVFFXMCIUJKHD-OAHLLOKOSA-N 0 3 320.393 1.996 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cccc(CN(C)C)c1 ZINC000930140297 713765835 /nfs/dbraw/zinc/76/58/35/713765835.db2.gz YBLDXWMLQANUNS-UHFFFAOYSA-N 0 3 317.349 1.800 20 5 DDBDHN COC(C)(C)[C@H](C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000932369937 714318885 /nfs/dbraw/zinc/31/88/85/714318885.db2.gz GXPRTPUHNCAJQH-NSHDSACASA-N 0 3 309.366 1.961 20 5 DDBDHN C/C(=C/C(=O)NC[C@@H]1C[C@@H](O)CN1C)c1ccc([N+](=O)[O-])cc1 ZINC000924982131 714714961 /nfs/dbraw/zinc/71/49/61/714714961.db2.gz OPLBNAWKSQZRGY-XSNQJSSTSA-N 0 3 319.361 1.179 20 5 DDBDHN Cc1ccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)nn1 ZINC001126926753 742683416 /nfs/dbraw/zinc/68/34/16/742683416.db2.gz RIPAHBKFXZAXAR-UHFFFAOYSA-N 0 3 315.333 1.213 20 5 DDBDHN CSCC[C@H](N)C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001122353354 745404157 /nfs/dbraw/zinc/40/41/57/745404157.db2.gz INHYQIYMLYYXDW-JQWIXIFHSA-N 0 3 311.407 1.895 20 5 DDBDHN O=C(CN1CCCC1)NC/C=C/CNc1ccccc1[N+](=O)[O-] ZINC001107199779 749569259 /nfs/dbraw/zinc/56/92/59/749569259.db2.gz GAAYYSFDWNDYSD-ONEGZZNKSA-N 0 3 318.377 1.775 20 5 DDBDHN CCN(CC)CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cn1 ZINC001107205222 749589074 /nfs/dbraw/zinc/58/90/74/749589074.db2.gz YDDKHGNCIAODAE-AATRIKPKSA-N 0 3 321.381 1.416 20 5 DDBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1ncccn1 ZINC001168943489 762136107 /nfs/dbraw/zinc/13/61/07/762136107.db2.gz ZAAHPZQTEMMKKO-UHFFFAOYSA-N 0 3 321.362 1.356 20 5 DDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)C1 ZINC001169023824 762201954 /nfs/dbraw/zinc/20/19/54/762201954.db2.gz FLWKVSDPPWPYRE-YHUYYLMFSA-N 0 3 309.410 1.227 20 5 DDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(Cc3ccccn3)CC2)C1 ZINC001169025318 762203248 /nfs/dbraw/zinc/20/32/48/762203248.db2.gz YPIICSGFOJSZDH-HOCLYGCPSA-N 0 3 304.394 1.645 20 5 DDBDHN C[C@H](Nc1ccc2cnccc2c1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170568760 768180587 /nfs/dbraw/zinc/18/05/87/768180587.db2.gz HIOUUBZMOZAMLE-IINYFYTJSA-N 0 3 302.334 1.932 20 5 DDBDHN COc1ccc(C[C@H](C)N[C@@H]2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC001170309242 766259256 /nfs/dbraw/zinc/25/92/56/766259256.db2.gz PRITZRMRJBUJGE-GXFFZTMASA-N 0 3 307.350 1.355 20 5 DDBDHN Cc1nc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)cs1 ZINC001132823136 769227357 /nfs/dbraw/zinc/22/73/57/769227357.db2.gz ZZDJZLJNGUQIQM-UHFFFAOYSA-N 0 3 320.374 1.879 20 5 DDBDHN Cc1cnc(NCCNC(=O)CN(C)C(C)C)c([N+](=O)[O-])c1 ZINC001093674083 774989455 /nfs/dbraw/zinc/98/94/55/774989455.db2.gz NMSNINFGSYFVNA-UHFFFAOYSA-N 0 3 309.370 1.167 20 5 DDBDHN CCCN(C)CC(=O)NCCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001094517016 775973506 /nfs/dbraw/zinc/97/35/06/775973506.db2.gz AZMZMOFVQORXAA-UHFFFAOYSA-N 0 3 323.397 1.558 20 5 DDBDHN COC(=O)[C@H]1CN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC001173231936 777063970 /nfs/dbraw/zinc/06/39/70/777063970.db2.gz PAVWENMSIMTQIQ-IUODEOHRSA-N 0 3 322.361 1.790 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1ccc[nH]1 ZINC001154563068 861223025 /nfs/dbraw/zinc/22/30/25/861223025.db2.gz USJHJKNVOZUAQJ-UHFFFAOYSA-N 0 3 302.334 1.833 20 5 DDBDHN CN(CCO)CCN(C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001149204105 861486540 /nfs/dbraw/zinc/48/65/40/861486540.db2.gz FRNWANJAEDXYKS-UHFFFAOYSA-N 0 3 320.349 1.072 20 5 DDBDHN NCc1cn(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)cn1 ZINC001154906007 861557117 /nfs/dbraw/zinc/55/71/17/861557117.db2.gz QGLANEREXMFIQE-UHFFFAOYSA-N 0 3 303.656 1.896 20 5 DDBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1c2ccccc2nc1[C@H](C)N ZINC001155255765 861902564 /nfs/dbraw/zinc/90/25/64/861902564.db2.gz WMJXLKVRZOBAIZ-JTQLQIEISA-N 0 3 313.317 1.895 20 5 DDBDHN COc1nc(N[C@H]2CCCC[C@@]23CNCCO3)ccc1[N+](=O)[O-] ZINC001155824907 862478279 /nfs/dbraw/zinc/47/82/79/862478279.db2.gz YLIQOICWBKFKLI-SWLSCSKDSA-N 0 3 322.365 1.712 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC001328498508 863009340 /nfs/dbraw/zinc/00/93/40/863009340.db2.gz CFNDFCMMUODFCL-LLVKDONJSA-N 0 3 306.366 1.700 20 5 DDBDHN NCc1nn(-c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])c2ccccc12 ZINC001156860358 863402399 /nfs/dbraw/zinc/40/23/99/863402399.db2.gz GGJDGTPTACMXTH-UHFFFAOYSA-N 0 3 319.708 1.679 20 5 DDBDHN Cc1ccc(C(=O)N2CC(N[C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC001157006438 863515429 /nfs/dbraw/zinc/51/54/29/863515429.db2.gz NBEHIKKQFKHCNF-LBPRGKRZSA-N 0 3 305.334 1.106 20 5 DDBDHN Cc1nc[nH]c1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001153816575 864129482 /nfs/dbraw/zinc/12/94/82/864129482.db2.gz FLXUGHROPJDFIJ-UHFFFAOYSA-N 0 3 303.322 1.146 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2CNCCO2)nc1Cl ZINC001159496599 865346845 /nfs/dbraw/zinc/34/68/45/865346845.db2.gz KKLHVMGPTABAKA-WPRPVWTQSA-N 0 3 300.746 1.740 20 5 DDBDHN Cc1nc(-n2nc(-c3ccncc3)cc2CN)ncc1[N+](=O)[O-] ZINC001160339564 865791958 /nfs/dbraw/zinc/79/19/58/865791958.db2.gz OZXDRYRVHMNIOV-UHFFFAOYSA-N 0 3 311.305 1.400 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C1(C)CCC1 ZINC001164007928 868871804 /nfs/dbraw/zinc/87/18/04/868871804.db2.gz PJNCKFOKVLBMSZ-UHFFFAOYSA-N 0 3 309.370 1.114 20 5 DDBDHN O=[N+]([O-])c1cnccc1N1CCN[C@H](c2ccc(O)cc2)C1 ZINC001164036092 868904716 /nfs/dbraw/zinc/90/47/16/868904716.db2.gz AVFVSOPAEFXSNU-ZDUSSCGKSA-N 0 3 300.318 1.846 20 5 DDBDHN CN1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001303985494 871173342 /nfs/dbraw/zinc/17/33/42/871173342.db2.gz GWBLCGCKJWKYBM-AWEZNQCLSA-N 0 3 321.377 1.820 20 5 DDBDHN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC2(CC1)CNCCO2 ZINC001341206627 871557446 /nfs/dbraw/zinc/55/74/46/871557446.db2.gz OLRSKCVXLNGTBC-UHFFFAOYSA-N 0 3 323.324 1.329 20 5 DDBDHN Cc1cc(NC(=O)NC[C@@]2(O)CCN(C)C2)cc([N+](=O)[O-])c1 ZINC001311323312 871694060 /nfs/dbraw/zinc/69/40/60/871694060.db2.gz UGWMFVKADKRFDH-AWEZNQCLSA-N 0 3 308.338 1.091 20 5 DDBDHN CN1CCCC[C@@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001347505017 874165501 /nfs/dbraw/zinc/16/55/01/874165501.db2.gz UOOJJDVBKDPNPE-KGLIPLIRSA-N 0 3 307.350 1.229 20 5 DDBDHN CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CCN(C(C)(C)C)CC1 ZINC001347598951 874205658 /nfs/dbraw/zinc/20/56/58/874205658.db2.gz CABYXGAPASYMIA-UHFFFAOYSA-N 0 3 324.429 1.631 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1COC2(CNC2)C1 ZINC001354261000 877843454 /nfs/dbraw/zinc/84/34/54/877843454.db2.gz XFVYUFIDVVNYIT-LLVKDONJSA-N 0 3 305.334 1.072 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCc1c[n-][nH]c1=O ZINC001254536835 896491525 /nfs/dbraw/zinc/49/15/25/896491525.db2.gz UJTZEQDTZJSTBG-AAEUAGOBSA-N 0 3 304.350 1.627 20 5 DDBDHN CN1CCCC[C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001262653033 900286869 /nfs/dbraw/zinc/28/68/69/900286869.db2.gz XHKBYSXPPAIUHU-GFCCVEGCSA-N 0 3 306.366 1.607 20 5 DDBDHN COC[C@H](C)OC[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000278215840 214028269 /nfs/dbraw/zinc/02/82/69/214028269.db2.gz DMUSHDAZGROOJD-YWPYICTPSA-N 0 3 312.366 1.658 20 5 DDBDHN CN(CC(=O)N(C)C1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000173013955 282339454 /nfs/dbraw/zinc/33/94/54/282339454.db2.gz GPECMAIJVOOTCP-UHFFFAOYSA-N 0 3 320.393 1.584 20 5 DDBDHN CN(C)CC(C)(C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000457206082 232014182 /nfs/dbraw/zinc/01/41/82/232014182.db2.gz LIGKPNHYQTYCFG-UHFFFAOYSA-N 0 3 309.366 1.820 20 5 DDBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])nn2C)ccc1CN(C)C ZINC000458259577 232313012 /nfs/dbraw/zinc/31/30/12/232313012.db2.gz GZQHDZXEJLKVSV-UHFFFAOYSA-N 0 3 317.349 1.951 20 5 DDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000121246230 185771159 /nfs/dbraw/zinc/77/11/59/185771159.db2.gz JFAWDLMMMDJZQS-DOMZBBRYSA-N 0 3 305.378 1.936 20 5 DDBDHN CC(C)(C)[C@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000320261099 290819342 /nfs/dbraw/zinc/81/93/42/290819342.db2.gz RMKZDMBSBOPVFI-CYBMUJFWSA-N 0 3 321.381 1.012 20 5 DDBDHN COCCCN(C)CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000152405054 186069483 /nfs/dbraw/zinc/06/94/83/186069483.db2.gz RGPPVTKDTFTQJF-UHFFFAOYSA-N 0 3 309.366 1.222 20 5 DDBDHN C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CCN1CC(C)(C)O ZINC000189934968 186251814 /nfs/dbraw/zinc/25/18/14/186251814.db2.gz USDGHNLPZYFILW-NSHDSACASA-N 0 3 313.423 1.933 20 5 DDBDHN NC(=O)c1ccc(NC2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000014327324 352151017 /nfs/dbraw/zinc/15/10/17/352151017.db2.gz HTLQLXLSTHCFIY-UHFFFAOYSA-N 0 3 304.350 1.732 20 5 DDBDHN CN(C)C/C=C/C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000491861388 234317891 /nfs/dbraw/zinc/31/78/91/234317891.db2.gz AMLVKVMXTDCNHG-PCAWENJQSA-N 0 3 319.365 1.120 20 5 DDBDHN C[C@H]1CCCCN1CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000079914528 353581864 /nfs/dbraw/zinc/58/18/64/353581864.db2.gz DEONKRBEWHLUJN-NSHDSACASA-N 0 3 306.366 1.980 20 5 DDBDHN C[C@@H]1CCCCN1CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000079914524 353582168 /nfs/dbraw/zinc/58/21/68/353582168.db2.gz DEONKRBEWHLUJN-LLVKDONJSA-N 0 3 306.366 1.980 20 5 DDBDHN CCc1nn(C)c(N2CCC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000091453515 353826726 /nfs/dbraw/zinc/82/67/26/353826726.db2.gz OZLKULHDLQCFPC-LBPRGKRZSA-N 0 3 307.398 1.955 20 5 DDBDHN CC(C)(C(=O)N[C@@H]1CCN(CC2CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000108298392 353948991 /nfs/dbraw/zinc/94/89/91/353948991.db2.gz BDQWAIYUVUKWCM-GFCCVEGCSA-N 0 3 321.381 1.127 20 5 DDBDHN CN1CCC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000108345023 353951411 /nfs/dbraw/zinc/95/14/11/353951411.db2.gz FLPZUFDKBKLSJD-GFCCVEGCSA-N 0 3 306.366 1.465 20 5 DDBDHN COCCN(C)CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000316061822 354500161 /nfs/dbraw/zinc/50/01/61/354500161.db2.gz JWJBRXFMOHGPBW-UHFFFAOYSA-N 0 3 305.338 1.528 20 5 DDBDHN CCc1nn(C)c(Nc2cnn(CCN(C)C)c2)c1[N+](=O)[O-] ZINC000588815970 354938585 /nfs/dbraw/zinc/93/85/85/354938585.db2.gz IXCSSVCLTKMFPP-UHFFFAOYSA-N 0 3 307.358 1.392 20 5 DDBDHN CN(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000589101878 354959549 /nfs/dbraw/zinc/95/95/49/354959549.db2.gz OXDMXSKWGDJHSH-VIFPVBQESA-N 0 3 305.281 1.531 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CN1CCN3CCC1CC3)OCCO2 ZINC000589196861 354971218 /nfs/dbraw/zinc/97/12/18/354971218.db2.gz JKEYKULJZKVLIM-UHFFFAOYSA-N 0 3 319.361 1.646 20 5 DDBDHN CN1C[C@H]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590010567 355040354 /nfs/dbraw/zinc/04/03/54/355040354.db2.gz PDPQJENEMDJWFL-BXUZGUMPSA-N 0 3 304.350 1.169 20 5 DDBDHN CCc1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590044202 355042467 /nfs/dbraw/zinc/04/24/67/355042467.db2.gz IFRXHFZPJYPXOM-UKRRQHHQSA-N 0 3 303.362 1.933 20 5 DDBDHN CC(=O)N[C@@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591476883 355320850 /nfs/dbraw/zinc/32/08/50/355320850.db2.gz MSMQDDOOUPBNLU-CYBMUJFWSA-N 0 3 307.350 1.574 20 5 DDBDHN COc1cc(C[NH2+]CCCc2ncn(C)n2)c([N+](=O)[O-])cc1[O-] ZINC000592373182 355569395 /nfs/dbraw/zinc/56/93/95/355569395.db2.gz BXEHTQHCNDJFFU-UHFFFAOYSA-N 0 3 321.337 1.160 20 5 DDBDHN CCN1C[C@@H](C[NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])CC1=O ZINC000593691095 355968377 /nfs/dbraw/zinc/96/83/77/355968377.db2.gz ZNRMCMHMGFFNOH-SNVBAGLBSA-N 0 3 323.349 1.267 20 5 DDBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cn1 ZINC000594195393 356136186 /nfs/dbraw/zinc/13/61/86/356136186.db2.gz GKRZYTBDVXILAL-JSGCOSHPSA-N 0 3 304.350 1.737 20 5 DDBDHN NC[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000594450694 356221987 /nfs/dbraw/zinc/22/19/87/356221987.db2.gz QDZZLPGFIDZMJQ-SNVBAGLBSA-N 0 3 305.256 1.533 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@]1(OCCO)CCOC1 ZINC000595077043 356378987 /nfs/dbraw/zinc/37/89/87/356378987.db2.gz FZXFUDGZLLGZDE-BBRMVZONSA-N 0 3 324.377 1.722 20 5 DDBDHN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000595122022 356385889 /nfs/dbraw/zinc/38/58/89/356385889.db2.gz PMQGVPAQNVPEPZ-JTQLQIEISA-N 0 3 301.368 1.098 20 5 DDBDHN CCn1nccc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000596070920 356762138 /nfs/dbraw/zinc/76/21/38/356762138.db2.gz VEJBZQXTKBQCKQ-AWEZNQCLSA-N 0 3 320.349 1.341 20 5 DDBDHN CC[C@H](NCc1nc(C[NH3+])cc(=O)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000596654391 356943078 /nfs/dbraw/zinc/94/30/78/356943078.db2.gz NTJSVVNVTKRTJU-ZDUSSCGKSA-N 0 3 317.349 1.790 20 5 DDBDHN C[C@H](CN1CCC(C)CC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596490025 356895628 /nfs/dbraw/zinc/89/56/28/356895628.db2.gz ZTAUZOUTNMAMMS-LLVKDONJSA-N 0 3 321.381 1.621 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCC23CCCN2CCC3)n1 ZINC000597589647 357240604 /nfs/dbraw/zinc/24/06/04/357240604.db2.gz WHAPMZFGRGYBMO-UHFFFAOYSA-N 0 3 307.354 1.169 20 5 DDBDHN CCCN1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000598341606 357544069 /nfs/dbraw/zinc/54/40/69/357544069.db2.gz DLSDZXKLYOUJAZ-NSHDSACASA-N 0 3 307.350 1.818 20 5 DDBDHN CN(C)C1CC(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598720403 357702934 /nfs/dbraw/zinc/70/29/34/357702934.db2.gz QIKDWHJRNLLGIJ-UHFFFAOYSA-N 0 3 319.361 1.767 20 5 DDBDHN CCOc1ccc([C@@H](C)NCCN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599085624 357810510 /nfs/dbraw/zinc/81/05/10/357810510.db2.gz UILYBRRFSYGYAP-TZMCWYRMSA-N 0 3 323.393 1.711 20 5 DDBDHN O=[N+]([O-])c1ccc(NCCN2CC[C@H](O)C2)c2ccncc21 ZINC000599203571 357850014 /nfs/dbraw/zinc/85/00/14/357850014.db2.gz XHTKEPVHVQVZMA-NSHDSACASA-N 0 3 302.334 1.622 20 5 DDBDHN CCOC(=O)C[C@@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000599353589 357905813 /nfs/dbraw/zinc/90/58/13/357905813.db2.gz JQVZWORFZLATKR-DGCLKSJQSA-N 0 3 310.350 1.868 20 5 DDBDHN Cn1cc(CN2CC[C@](C)(O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180184281 199127406 /nfs/dbraw/zinc/12/74/06/199127406.db2.gz KGXZNPNSUZEACJ-INIZCTEOSA-N 0 3 316.361 1.952 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2CO[C@H](C3CC3)C2)c1 ZINC000600756098 358309031 /nfs/dbraw/zinc/30/90/31/358309031.db2.gz MFDHSBNFFFKHTD-XPKDYRNWSA-N 0 3 322.361 1.492 20 5 DDBDHN CN1CCN(C)[C@H](CNc2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601116399 358409047 /nfs/dbraw/zinc/40/90/47/358409047.db2.gz SXOJPSDBCXLYHD-CYBMUJFWSA-N 0 3 315.377 1.223 20 5 DDBDHN CCNC(=O)CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000604477380 359755055 /nfs/dbraw/zinc/75/50/55/359755055.db2.gz JPSAXNKYJHWSRN-JTQLQIEISA-N 0 3 308.338 1.038 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@]1(CCO)CCOC1 ZINC000579375917 422759612 /nfs/dbraw/zinc/75/96/12/422759612.db2.gz BDIXKEUFSNVROA-HOCLYGCPSA-N 0 3 306.362 1.961 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000604290910 359731825 /nfs/dbraw/zinc/73/18/25/359731825.db2.gz LXZWBRUKWNTYKG-GFCCVEGCSA-N 0 3 322.365 1.497 20 5 DDBDHN COc1ccc(CC(=O)N[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000609044641 360258197 /nfs/dbraw/zinc/25/81/97/360258197.db2.gz NVQMWTQYHZDBMK-LBPRGKRZSA-N 0 3 307.350 1.356 20 5 DDBDHN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(CC2CC2)C1 ZINC000609383566 360302858 /nfs/dbraw/zinc/30/28/58/360302858.db2.gz UJGJRMPVXYSVHE-CQSZACIVSA-N 0 3 303.362 1.738 20 5 DDBDHN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCN(CC2CC2)C1 ZINC000609383565 360302945 /nfs/dbraw/zinc/30/29/45/360302945.db2.gz UJGJRMPVXYSVHE-AWEZNQCLSA-N 0 3 303.362 1.738 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCn1cncn1 ZINC000609140480 360265870 /nfs/dbraw/zinc/26/58/70/360265870.db2.gz IDPPZXNHMLAMQX-UHFFFAOYSA-N 0 3 305.338 1.765 20 5 DDBDHN COC[C@H]1CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612086273 360913534 /nfs/dbraw/zinc/91/35/34/360913534.db2.gz LVWZMVSICSKQBS-OLZOCXBDSA-N 0 3 310.350 1.445 20 5 DDBDHN COC(=O)[C@@H]1CCCCCC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000360486063 306983253 /nfs/dbraw/zinc/98/32/53/306983253.db2.gz VNAHHKCNJWEYHE-VXGBXAGGSA-N 0 3 324.381 1.930 20 5 DDBDHN Cc1cnc(N[C@H](C)CCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000613704766 361526786 /nfs/dbraw/zinc/52/67/86/361526786.db2.gz QVCFDZNISCOOPR-CYBMUJFWSA-N 0 3 307.398 1.736 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCN(c2ccncc2)CC1 ZINC000619474497 364028044 /nfs/dbraw/zinc/02/80/44/364028044.db2.gz VEIWJBVXSIICPN-UHFFFAOYSA-N 0 3 316.365 1.841 20 5 DDBDHN CCOC(=O)[C@](C)(O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282509849 217049715 /nfs/dbraw/zinc/04/97/15/217049715.db2.gz RTWNBKWZTNGVGN-OAHLLOKOSA-N 0 3 310.350 1.383 20 5 DDBDHN COCCn1cc(CNCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000266223330 205193888 /nfs/dbraw/zinc/19/38/88/205193888.db2.gz RVTZYKIYXRIZGU-UHFFFAOYSA-N 0 3 304.350 1.770 20 5 DDBDHN CNc1nc(C(=O)N2CC[C@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000567130812 304199629 /nfs/dbraw/zinc/19/96/29/304199629.db2.gz SSMBRNSQZMWMDX-NSHDSACASA-N 0 3 319.365 1.342 20 5 DDBDHN C[C@@H](NCCC(=O)N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000336860312 249267661 /nfs/dbraw/zinc/26/76/61/249267661.db2.gz PVDWRCKVHJQQFQ-GFCCVEGCSA-N 0 3 307.350 1.494 20 5 DDBDHN COC(=O)c1cn(CCN[C@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000284591610 218092530 /nfs/dbraw/zinc/09/25/30/218092530.db2.gz XZUADRCRZTZAAU-SNVBAGLBSA-N 0 3 319.321 1.324 20 5 DDBDHN C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[n-]1)c1cccs1 ZINC000285111839 218295301 /nfs/dbraw/zinc/29/53/01/218295301.db2.gz UVJLVJJEJYJOIU-VIFPVBQESA-N 0 3 309.351 1.412 20 5 DDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC(=O)N(C)C1 ZINC000268884486 207055575 /nfs/dbraw/zinc/05/55/75/207055575.db2.gz WUAPHLDNJQFLGR-ZYHUDNBSSA-N 0 3 320.349 1.132 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCN(C2CC2)CC1 ZINC000061605803 184177525 /nfs/dbraw/zinc/17/75/25/184177525.db2.gz KNKPZECMZYUZNO-UHFFFAOYSA-N 0 3 303.362 1.834 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000341025444 251345042 /nfs/dbraw/zinc/34/50/42/251345042.db2.gz JCNSXHOKDYJJTC-OCCSQVGLSA-N 0 3 320.393 1.919 20 5 DDBDHN O=C(CNC[C@H]1CCCO1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000269208277 207326369 /nfs/dbraw/zinc/32/63/69/207326369.db2.gz FJSVUTJLYAKQSL-LLVKDONJSA-N 0 3 305.334 1.253 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@@H](C)CO ZINC000295773164 533138470 /nfs/dbraw/zinc/13/84/70/533138470.db2.gz QBCNEYHXHJEQTH-UWVGGRQHSA-N 0 3 311.338 1.148 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(OCC2CC2)CC1 ZINC000360722668 299730183 /nfs/dbraw/zinc/73/01/83/299730183.db2.gz UIWMSSLMLJEJHW-UHFFFAOYSA-N 0 3 321.377 1.648 20 5 DDBDHN CC[C@@H](CO)N1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075958214 406947053 /nfs/dbraw/zinc/94/70/53/406947053.db2.gz GPJYUSSPSWXQQN-AWEZNQCLSA-N 0 3 323.393 1.362 20 5 DDBDHN CN(C)CCN(CCN(C)C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000103210804 407333614 /nfs/dbraw/zinc/33/36/14/407333614.db2.gz VLKDREMQDAXYJA-UHFFFAOYSA-N 0 3 322.409 1.089 20 5 DDBDHN Cc1ccc([C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])N(C)C)cc1 ZINC000122351563 407298263 /nfs/dbraw/zinc/29/82/63/407298263.db2.gz CPHJQSSNVJPHGF-GFCCVEGCSA-N 0 3 317.349 1.659 20 5 DDBDHN Cc1ccc([C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])N(C)C)cc1 ZINC000122351563 407298264 /nfs/dbraw/zinc/29/82/64/407298264.db2.gz CPHJQSSNVJPHGF-GFCCVEGCSA-N 0 3 317.349 1.659 20 5 DDBDHN CN(C)[C@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000103945149 407344579 /nfs/dbraw/zinc/34/45/79/407344579.db2.gz WTAUDDRPJIKSRN-LBPRGKRZSA-N 0 3 306.366 1.559 20 5 DDBDHN CN(CCN1CCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000152353127 407619319 /nfs/dbraw/zinc/61/93/19/407619319.db2.gz BZIMSWRUIQKRQS-UHFFFAOYSA-N 0 3 309.341 1.831 20 5 DDBDHN Cn1ccnc1[C@H]1CNCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000261800511 407620080 /nfs/dbraw/zinc/62/00/80/407620080.db2.gz RKHJGQJDPRHJDD-CQSZACIVSA-N 0 3 301.350 1.475 20 5 DDBDHN C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)N1[C@H](C)CC[C@@H]1C ZINC000129964889 407640978 /nfs/dbraw/zinc/64/09/78/407640978.db2.gz RUTCSOCQJFSGIP-TUAOUCFPSA-N 0 3 309.370 1.169 20 5 DDBDHN C[C@H](O)C[C@@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000153191644 407773725 /nfs/dbraw/zinc/77/37/25/407773725.db2.gz WWPGNGLGERCYGL-GWCFXTLKSA-N 0 3 307.350 1.429 20 5 DDBDHN CCN1CCN(CCNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153572528 407855790 /nfs/dbraw/zinc/85/57/90/407855790.db2.gz UNGRXALCANXDKH-UHFFFAOYSA-N 0 3 313.789 1.693 20 5 DDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000272379932 407893407 /nfs/dbraw/zinc/89/34/07/407893407.db2.gz FKYVGTUJMNGDII-LBPRGKRZSA-N 0 3 318.377 1.877 20 5 DDBDHN C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000118129262 407898494 /nfs/dbraw/zinc/89/84/94/407898494.db2.gz HVSPGFSHJGWPNY-SNVBAGLBSA-N 0 3 320.349 1.132 20 5 DDBDHN CN(C)C[C@H]1CCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272506888 407952011 /nfs/dbraw/zinc/95/20/11/407952011.db2.gz XUULDRFWZFYZBL-LLVKDONJSA-N 0 3 321.333 1.490 20 5 DDBDHN CN(C)C[C@@H]1CCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272506894 407952723 /nfs/dbraw/zinc/95/27/23/407952723.db2.gz XUULDRFWZFYZBL-NSHDSACASA-N 0 3 321.333 1.490 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000268248145 407967681 /nfs/dbraw/zinc/96/76/81/407967681.db2.gz WKVDDGCYFPWOSJ-NHYWBVRUSA-N 0 3 303.362 1.736 20 5 DDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000262782430 407928417 /nfs/dbraw/zinc/92/84/17/407928417.db2.gz LSMIWGQSSIFKNY-QWHCGFSZSA-N 0 3 320.393 1.996 20 5 DDBDHN Cc1nn(CCC(=O)N2C[C@H](C)NC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000272604629 408004252 /nfs/dbraw/zinc/00/42/52/408004252.db2.gz RJKNJPLYXNFJSL-VHSXEESVSA-N 0 3 309.370 1.007 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN2CCC[C@H]2C1 ZINC000246212073 408179025 /nfs/dbraw/zinc/17/90/25/408179025.db2.gz ANFSWBMDTWCALO-AWEZNQCLSA-N 0 3 318.377 1.622 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000175729261 408189556 /nfs/dbraw/zinc/18/95/56/408189556.db2.gz BYCCSKXKZZMPGR-RKDXNWHRSA-N 0 3 307.354 1.235 20 5 DDBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000246726291 408326106 /nfs/dbraw/zinc/32/61/06/408326106.db2.gz AHUMEXGWCLDOTE-JOYOIKCWSA-N 0 3 324.356 1.775 20 5 DDBDHN CN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@H]1CCCN(C)C1 ZINC000151202781 408275410 /nfs/dbraw/zinc/27/54/10/408275410.db2.gz BKBXLAJITTYLKI-NSHDSACASA-N 0 3 309.370 1.079 20 5 DDBDHN CCCN(CC)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000176209545 408310703 /nfs/dbraw/zinc/31/07/03/408310703.db2.gz RINGJAIJPRSLLE-UHFFFAOYSA-N 0 3 322.365 1.381 20 5 DDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176714168 408422277 /nfs/dbraw/zinc/42/22/77/408422277.db2.gz RSEYAPWAGBUPLH-LLVKDONJSA-N 0 3 306.366 1.591 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177033659 408503797 /nfs/dbraw/zinc/50/37/97/408503797.db2.gz SMCLSNVZAAOGAC-NEPJUHHUSA-N 0 3 318.377 1.748 20 5 DDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000265298766 408607090 /nfs/dbraw/zinc/60/70/90/408607090.db2.gz LZKGKRBLSFNDAR-CQSZACIVSA-N 0 3 305.378 1.938 20 5 DDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000265298765 408607275 /nfs/dbraw/zinc/60/72/75/408607275.db2.gz LZKGKRBLSFNDAR-AWEZNQCLSA-N 0 3 305.378 1.938 20 5 DDBDHN Cc1cc(C(=O)NCC2(N(C)C)CCC2)c(N)c([N+](=O)[O-])c1 ZINC000275806201 408681624 /nfs/dbraw/zinc/68/16/24/408681624.db2.gz CYSCIOAPWRNKNZ-UHFFFAOYSA-N 0 3 306.366 1.700 20 5 DDBDHN COCCN1CCC[C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183594314 162857738 /nfs/dbraw/zinc/85/77/38/162857738.db2.gz SDPCLACHKJQGIO-LLVKDONJSA-N 0 3 323.353 1.222 20 5 DDBDHN O=C1NC(CC(F)(F)F)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000277472498 408947690 /nfs/dbraw/zinc/94/76/90/408947690.db2.gz UXRMLUFYPGZQRG-QMMMGPOBSA-N 0 3 303.196 1.972 20 5 DDBDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000286223740 408944774 /nfs/dbraw/zinc/94/47/74/408944774.db2.gz YVIGNNKPZVQCDH-CZUORRHYSA-N 0 3 305.378 1.890 20 5 DDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000286307714 408960155 /nfs/dbraw/zinc/96/01/55/408960155.db2.gz JYJKLUOAKVASTO-WCQYABFASA-N 0 3 318.377 1.757 20 5 DDBDHN C[C@H]1C[C@@H](O)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000292129662 408985477 /nfs/dbraw/zinc/98/54/77/408985477.db2.gz BFQGVVOQFYJAMW-RYUDHWBXSA-N 0 3 307.350 1.769 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](O)CC2)c1 ZINC000293288062 409083806 /nfs/dbraw/zinc/08/38/06/409083806.db2.gz VURYUIXGWSLYMN-ZIAGYGMSSA-N 0 3 310.350 1.181 20 5 DDBDHN CC(C)N(CCOCCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000283681948 409194817 /nfs/dbraw/zinc/19/48/17/409194817.db2.gz HOAONRUIIVUEEV-UHFFFAOYSA-N 0 3 312.366 1.693 20 5 DDBDHN CCN1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000288418030 409165196 /nfs/dbraw/zinc/16/51/96/409165196.db2.gz MAAZIVJKWZGUCN-JTQLQIEISA-N 0 3 317.349 1.637 20 5 DDBDHN CN1CC[C@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293895015 409201940 /nfs/dbraw/zinc/20/19/40/409201940.db2.gz NEDMRRLFWKYBON-INIZCTEOSA-N 0 3 303.362 1.692 20 5 DDBDHN C[C@H](O)CN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000284350120 409330475 /nfs/dbraw/zinc/33/04/75/409330475.db2.gz MFSPIUBWGDDFOX-CJKAQPIMSA-N 0 3 319.405 1.995 20 5 DDBDHN Cc1cc(C(=O)N[C@@H]2CCCN(CCCO)C2)ccc1[N+](=O)[O-] ZINC000295412603 409474065 /nfs/dbraw/zinc/47/40/65/409474065.db2.gz JLTZOKTUDOVGCT-CQSZACIVSA-N 0 3 321.377 1.480 20 5 DDBDHN CNC(=O)c1ccc(N2CCN(C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000354079116 409637135 /nfs/dbraw/zinc/63/71/35/409637135.db2.gz CGFQSLWDYSOOCC-NSHDSACASA-N 0 3 306.366 1.485 20 5 DDBDHN Cc1nn(CCC(=O)N2CCN(C)CC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000354007557 409594047 /nfs/dbraw/zinc/59/40/47/409594047.db2.gz QNFNCIDYEPSWPI-NSHDSACASA-N 0 3 323.397 1.351 20 5 DDBDHN CN1CC[C@@]2(CCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000346263209 409890449 /nfs/dbraw/zinc/89/04/49/409890449.db2.gz BXJPKZALBQTUPV-OAHLLOKOSA-N 0 3 321.381 1.081 20 5 DDBDHN CN(C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000342857244 409952986 /nfs/dbraw/zinc/95/29/86/409952986.db2.gz KUCHTTVDGNYMAA-UHFFFAOYSA-N 0 3 316.361 1.925 20 5 DDBDHN CN1CCCC(C)(C)[C@@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357686995 410185899 /nfs/dbraw/zinc/18/58/99/410185899.db2.gz QVSATNMAJPZSLJ-NSHDSACASA-N 0 3 321.381 1.621 20 5 DDBDHN C[C@@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000351774896 410224724 /nfs/dbraw/zinc/22/47/24/410224724.db2.gz PGFPHEDEWSVUPT-ZWNOBZJWSA-N 0 3 321.333 1.205 20 5 DDBDHN C[C@@H]1[C@H](O)CCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298430188 410225513 /nfs/dbraw/zinc/22/55/13/410225513.db2.gz QAAFOJDEEVRCPV-BXUZGUMPSA-N 0 3 307.350 1.769 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000357908911 410321897 /nfs/dbraw/zinc/32/18/97/410321897.db2.gz FMLOGRLGKUOUQM-LBPRGKRZSA-N 0 3 309.391 1.897 20 5 DDBDHN C[C@H]1CN(CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCCO1 ZINC000347187230 410379967 /nfs/dbraw/zinc/37/99/67/410379967.db2.gz KVJMEMUEHODSKM-NSHDSACASA-N 0 3 310.354 1.154 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358407961 410461061 /nfs/dbraw/zinc/46/10/61/410461061.db2.gz GCOLWDDGDUCFRG-ZUZCIYMTSA-N 0 3 321.352 1.875 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)CCN(C)C ZINC000352122896 410496245 /nfs/dbraw/zinc/49/62/45/410496245.db2.gz UJMNWMCVDAXGAM-OAHLLOKOSA-N 0 3 309.366 1.336 20 5 DDBDHN Cc1ccnc(NC[C@@H](O)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000301306557 410695682 /nfs/dbraw/zinc/69/56/82/410695682.db2.gz VDIIXHFZSOFJBA-CYBMUJFWSA-N 0 3 308.382 1.803 20 5 DDBDHN CN1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C1 ZINC000301304597 410696543 /nfs/dbraw/zinc/69/65/43/410696543.db2.gz TWCAOSZMGJVBRK-AWEZNQCLSA-N 0 3 305.382 1.206 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343802148 410710814 /nfs/dbraw/zinc/71/08/14/410710814.db2.gz SORXJRVKRHHPSW-IUODEOHRSA-N 0 3 320.393 1.919 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H]2Cc2ccccc2)c1 ZINC000353040143 410753846 /nfs/dbraw/zinc/75/38/46/410753846.db2.gz NIBAZDMKTGMDLQ-GDBMZVCRSA-N 0 3 316.361 1.469 20 5 DDBDHN Cc1nc(N2CCN([C@H]3CCCN(C)C3)CC2)ccc1[N+](=O)[O-] ZINC000301646818 410763900 /nfs/dbraw/zinc/76/39/00/410763900.db2.gz IDUCGJGORMAGMD-AWEZNQCLSA-N 0 3 319.409 1.514 20 5 DDBDHN CC[NH+](CC)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000359984596 410982906 /nfs/dbraw/zinc/98/29/06/410982906.db2.gz BRYRDKBPWMYSKE-VIFPVBQESA-N 0 3 321.424 1.665 20 5 DDBDHN CCOc1cc(CN2CC[C@H]3C(=O)NC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000368063183 418682624 /nfs/dbraw/zinc/68/26/24/418682624.db2.gz MLSLBHXJOMLPQM-QWHCGFSZSA-N 0 3 319.361 1.561 20 5 DDBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H]1CN1CCCCCC1 ZINC000364616731 418793514 /nfs/dbraw/zinc/79/35/14/418793514.db2.gz TYESPJKNROBMPN-GFCCVEGCSA-N 0 3 321.381 1.799 20 5 DDBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@]1(CO)CCOC1 ZINC000411511613 418911170 /nfs/dbraw/zinc/91/11/70/418911170.db2.gz ZDSQPOBWDZISAM-OAHLLOKOSA-N 0 3 323.349 1.007 20 5 DDBDHN Cc1cc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000372943702 418915307 /nfs/dbraw/zinc/91/53/07/418915307.db2.gz CFPNLPUTFBOTBO-ZIAGYGMSSA-N 0 3 319.361 1.496 20 5 DDBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCC(=O)N(C)C1=O ZINC000424310406 228257264 /nfs/dbraw/zinc/25/72/64/228257264.db2.gz CGRHUUVFVZONRO-YPMHNXCESA-N 0 3 319.361 1.653 20 5 DDBDHN Cc1ccc(CN2C[C@@H](C)N(CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000418112747 419542034 /nfs/dbraw/zinc/54/20/34/419542034.db2.gz LNOXLYBBJPMREP-ZIAGYGMSSA-N 0 3 307.394 1.790 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)N(CCO)C[C@@H]1C ZINC000418122948 419553309 /nfs/dbraw/zinc/55/33/09/419553309.db2.gz YGKIXUWHGVKXNG-KBPBESRZSA-N 0 3 307.394 1.790 20 5 DDBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NCCN1CCCCC1 ZINC000298499500 228587402 /nfs/dbraw/zinc/58/74/02/228587402.db2.gz GRAOKERLCRWLRU-UHFFFAOYSA-N 0 3 307.350 1.576 20 5 DDBDHN CC(C)[C@@H]1N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000427188143 419613585 /nfs/dbraw/zinc/61/35/85/419613585.db2.gz WZAHFBFQEGKILY-KBPBESRZSA-N 0 3 308.382 1.663 20 5 DDBDHN COc1c(C(=O)N(C)C[C@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000421711923 419697867 /nfs/dbraw/zinc/69/78/67/419697867.db2.gz PKHYHDPDUDAWGP-LLVKDONJSA-N 0 3 307.350 1.770 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCNc1ccncc1 ZINC000422121456 419847005 /nfs/dbraw/zinc/84/70/05/419847005.db2.gz OFCOVZXZYHEJBQ-UHFFFAOYSA-N 0 3 314.345 1.870 20 5 DDBDHN Cc1n[n-]c(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000299561416 229210156 /nfs/dbraw/zinc/21/01/56/229210156.db2.gz UBBVREAHYMURGW-MRVPVSSYSA-N 0 3 306.326 1.197 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCOC[C@@H]1C ZINC000433154688 229163043 /nfs/dbraw/zinc/16/30/43/229163043.db2.gz UJHCTEAZHQYVQN-RYUDHWBXSA-N 0 3 307.350 1.856 20 5 DDBDHN CCCC[C@H](CN)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415493757 420088499 /nfs/dbraw/zinc/08/84/99/420088499.db2.gz HGJPFYQYWHPDMU-LLVKDONJSA-N 0 3 308.338 1.167 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000425060285 420325596 /nfs/dbraw/zinc/32/55/96/420325596.db2.gz VFHHBTXHDRHAGR-WDEREUQCSA-N 0 3 321.381 1.608 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000425060285 420325602 /nfs/dbraw/zinc/32/56/02/420325602.db2.gz VFHHBTXHDRHAGR-WDEREUQCSA-N 0 3 321.381 1.608 20 5 DDBDHN CNCCN(C)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000440845018 420613270 /nfs/dbraw/zinc/61/32/70/420613270.db2.gz JCWFWDYRBKGXLX-UHFFFAOYSA-N 0 3 301.368 1.052 20 5 DDBDHN CN1CCCC(C)(C)[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000447816465 420804687 /nfs/dbraw/zinc/80/46/87/420804687.db2.gz KYQMNOQDZMHFPG-LBPRGKRZSA-N 0 3 321.381 1.621 20 5 DDBDHN CNc1nc(C(=O)NCCN2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000454735377 420917511 /nfs/dbraw/zinc/91/75/11/420917511.db2.gz KHAWYYBNRWHFIJ-LLVKDONJSA-N 0 3 321.381 1.636 20 5 DDBDHN CNc1nc(C(=O)NCCN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000454746954 420918778 /nfs/dbraw/zinc/91/87/78/420918778.db2.gz SVEKOOYJPVHHHO-UHFFFAOYSA-N 0 3 321.381 1.493 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(NC[C@H]2CCCN2CCCO)c1 ZINC000450593997 421213821 /nfs/dbraw/zinc/21/38/21/421213821.db2.gz JWWUYSGXEGVKEX-GFCCVEGCSA-N 0 3 309.366 1.862 20 5 DDBDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000560978312 421300796 /nfs/dbraw/zinc/30/07/96/421300796.db2.gz AEILUQFFTQCNMB-NSHDSACASA-N 0 3 309.370 1.558 20 5 DDBDHN CC(C)(CNC(=O)Cn1ccc([N+](=O)[O-])n1)N1CCCCC1 ZINC000516825740 421569436 /nfs/dbraw/zinc/56/94/36/421569436.db2.gz CAASETDAFULJTC-UHFFFAOYSA-N 0 3 309.370 1.172 20 5 DDBDHN CN(C)CCOCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000540843075 421769608 /nfs/dbraw/zinc/76/96/08/421769608.db2.gz HZVCFQVHEMFBLQ-UHFFFAOYSA-N 0 3 315.757 1.556 20 5 DDBDHN Cc1cc(NC[C@H](C)S(C)(=O)=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000543979458 421842620 /nfs/dbraw/zinc/84/26/20/421842620.db2.gz MQWCJSQBEATDEJ-JTQLQIEISA-N 0 3 323.374 1.718 20 5 DDBDHN Nc1nccc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594418492 422348236 /nfs/dbraw/zinc/34/82/36/422348236.db2.gz JMOKFPHYETVWSR-NWDGAFQWSA-N 0 3 319.365 1.319 20 5 DDBDHN Nc1nc(NC[C@H]2CCN2C2CCCCC2)ncc1[N+](=O)[O-] ZINC000599125863 422402956 /nfs/dbraw/zinc/40/29/56/422402956.db2.gz DTECERYJSHIECY-LLVKDONJSA-N 0 3 306.370 1.208 20 5 DDBDHN C[C@@H]1CN(CCCNC(=O)c2cc([N+](=O)[O-])cn2C)CCCO1 ZINC000578386601 422561015 /nfs/dbraw/zinc/56/10/15/422561015.db2.gz QGCYQDKFOQPMGQ-GFCCVEGCSA-N 0 3 324.381 1.164 20 5 DDBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)c2cccnc2)c(F)c1 ZINC000342276618 271363643 /nfs/dbraw/zinc/36/36/43/271363643.db2.gz KKVIITMPLUAKBC-ZDUSSCGKSA-N 0 3 305.309 1.995 20 5 DDBDHN CNS(=O)(=O)CCNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344796064 272120515 /nfs/dbraw/zinc/12/05/15/272120515.db2.gz NSVRJDMUDLAKAL-DHZHZOJOSA-N 0 3 313.379 1.137 20 5 DDBDHN CN1CCC[C@@H](N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)C1 ZINC000301309228 277053884 /nfs/dbraw/zinc/05/38/84/277053884.db2.gz XHLYPROGQZVDKQ-CQSZACIVSA-N 0 3 322.384 1.950 20 5 DDBDHN CNc1nc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425062992 277303739 /nfs/dbraw/zinc/30/37/39/277303739.db2.gz DWURFDYIUGYTDF-GXFFZTMASA-N 0 3 319.365 1.198 20 5 DDBDHN COc1ccc(CNCC[C@@H](C)[S@@](C)=O)cc1[N+](=O)[O-] ZINC000129515388 281347799 /nfs/dbraw/zinc/34/77/99/281347799.db2.gz HZJGSJWQRKMZBR-SBKAZYGRSA-N 0 3 300.380 1.850 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC12CCOCC2 ZINC000368898024 301103976 /nfs/dbraw/zinc/10/39/76/301103976.db2.gz VVPNJTVIEPMMBB-CYBMUJFWSA-N 0 3 322.361 1.589 20 5 DDBDHN CC(=O)N1CC[C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000515415900 302774848 /nfs/dbraw/zinc/77/48/48/302774848.db2.gz XQPIMSFEBNXDSF-GFCCVEGCSA-N 0 3 320.349 1.134 20 5 DDBDHN CN(C)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccc1 ZINC000547751496 303551531 /nfs/dbraw/zinc/55/15/31/303551531.db2.gz AHZYDULATWWANB-GFCCVEGCSA-N 0 3 303.322 1.351 20 5 DDBDHN COC[C@H](O)CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000563002400 303908926 /nfs/dbraw/zinc/90/89/26/303908926.db2.gz GCZBYPVLXHOKED-LLVKDONJSA-N 0 3 308.256 1.711 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366304614 307070476 /nfs/dbraw/zinc/07/04/76/307070476.db2.gz ANBYSSWQTDZQJO-VHRBIJSZSA-N 0 3 317.345 1.559 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000371555459 307153354 /nfs/dbraw/zinc/15/33/54/307153354.db2.gz UJOFSJKOXGIUOC-WFASDCNBSA-N 0 3 318.377 1.559 20 5 DDBDHN CC(C)[C@@H](C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N(C)C ZINC000372235470 307165689 /nfs/dbraw/zinc/16/56/89/307165689.db2.gz IGZWMMIQTMFBMZ-OCCSQVGLSA-N 0 3 323.397 1.541 20 5 DDBDHN O=C(CCN1C[C@@H](O)C2(CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372903862 307176004 /nfs/dbraw/zinc/17/60/04/307176004.db2.gz QGJHMGXZVAAMKW-CYBMUJFWSA-N 0 3 323.324 1.519 20 5 DDBDHN CN1CC[C@@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@H]21 ZINC000375047433 307217865 /nfs/dbraw/zinc/21/78/65/307217865.db2.gz DDQQTRDWIAFFNO-GHMZBOCLSA-N 0 3 302.338 1.168 20 5 DDBDHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000375440608 307226701 /nfs/dbraw/zinc/22/67/01/307226701.db2.gz YCTPYWFENONTTA-IUODEOHRSA-N 0 3 305.334 1.690 20 5 DDBDHN CN1CC[C@@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)[C@@H]2C1 ZINC000378507647 307290537 /nfs/dbraw/zinc/29/05/37/307290537.db2.gz WPDYHAQXBHKEEU-GHMZBOCLSA-N 0 3 302.338 1.168 20 5 DDBDHN CNc1nc(C(=O)NC[C@H](C)N2CCCC2)ccc1[N+](=O)[O-] ZINC000562893966 307947428 /nfs/dbraw/zinc/94/74/28/307947428.db2.gz PKFFUEUYNAMBAH-JTQLQIEISA-N 0 3 307.354 1.246 20 5 DDBDHN CN(C)C(=O)CCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000581555908 325875586 /nfs/dbraw/zinc/87/55/86/325875586.db2.gz BNVMPXLQWXXRCD-UHFFFAOYSA-N 0 3 309.370 1.297 20 5 DDBDHN C[C@@H]1[C@H](CO)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000488728933 484215283 /nfs/dbraw/zinc/21/52/83/484215283.db2.gz IVLIYSNHWQLVRT-MBNYWOFBSA-N 0 3 310.350 1.037 20 5 DDBDHN CC[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821266280 599146628 /nfs/dbraw/zinc/14/66/28/599146628.db2.gz AHBYSYNQZJGTGY-VIFPVBQESA-N 0 3 318.341 1.066 20 5 DDBDHN CC[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821266280 599146630 /nfs/dbraw/zinc/14/66/30/599146630.db2.gz AHBYSYNQZJGTGY-VIFPVBQESA-N 0 3 318.341 1.066 20 5 DDBDHN CC[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821266280 599146632 /nfs/dbraw/zinc/14/66/32/599146632.db2.gz AHBYSYNQZJGTGY-VIFPVBQESA-N 0 3 318.341 1.066 20 5 DDBDHN CC[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821266280 599146634 /nfs/dbraw/zinc/14/66/34/599146634.db2.gz AHBYSYNQZJGTGY-VIFPVBQESA-N 0 3 318.341 1.066 20 5 DDBDHN O=[N+]([O-])c1cnc(NCCC[NH+]2CCCC2)c(-c2nnn[n-]2)c1 ZINC000823651711 599331015 /nfs/dbraw/zinc/33/10/15/599331015.db2.gz OEFKSUQZPDCPHM-UHFFFAOYSA-N 0 3 318.341 1.068 20 5 DDBDHN O=[N+]([O-])c1cnc(NCCC[NH+]2CCCC2)c(-c2nn[n-]n2)c1 ZINC000823651711 599331018 /nfs/dbraw/zinc/33/10/18/599331018.db2.gz OEFKSUQZPDCPHM-UHFFFAOYSA-N 0 3 318.341 1.068 20 5 DDBDHN COc1cc(CNCCC[S@@](C)=O)c([N+](=O)[O-])cc1O ZINC000116918453 696669133 /nfs/dbraw/zinc/66/91/33/696669133.db2.gz UILLUPVYXOIJPL-FQEVSTJZSA-N 0 3 302.352 1.167 20 5 DDBDHN CCC[C@H]1CN(Cn2nccc2[N+](=O)[O-])CCN1CCOC ZINC000159834019 697312448 /nfs/dbraw/zinc/31/24/48/697312448.db2.gz KGDBIGRZSNJZPO-ZDUSSCGKSA-N 0 3 311.386 1.182 20 5 DDBDHN COC(=O)CC(C)(C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000178324684 697423743 /nfs/dbraw/zinc/42/37/43/697423743.db2.gz HGBHLDQFYOWDIX-UHFFFAOYSA-N 0 3 323.349 1.489 20 5 DDBDHN CC(C)CN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000195135069 697732166 /nfs/dbraw/zinc/73/21/66/697732166.db2.gz LWCKSLINEXQEGL-UHFFFAOYSA-N 0 3 308.382 1.837 20 5 DDBDHN COC(=O)c1cnc(NCCN2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000790773814 699596381 /nfs/dbraw/zinc/59/63/81/699596381.db2.gz ZAYJQKMHSCKZKK-SNVBAGLBSA-N 0 3 308.338 1.673 20 5 DDBDHN CCN(CC)CCS(=O)(=O)Oc1cc([N+](=O)[O-])ccc1C ZINC000810041500 701714900 /nfs/dbraw/zinc/71/49/00/701714900.db2.gz BZXQNDIUTGZTEO-UHFFFAOYSA-N 0 3 316.379 1.954 20 5 DDBDHN Cc1cc(N2CCC(N3CCN(C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000866213581 706650962 /nfs/dbraw/zinc/65/09/62/706650962.db2.gz XXMGIOJRRFHWGC-UHFFFAOYSA-N 0 3 319.409 1.514 20 5 DDBDHN CC(COC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[N+](=O)[O-] ZINC000813105575 702293147 /nfs/dbraw/zinc/29/31/47/702293147.db2.gz PHDBOBDSOUUOLX-SECBINFHSA-N 0 3 320.261 1.603 20 5 DDBDHN CC(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)[N+](=O)[O-] ZINC000813108263 702294876 /nfs/dbraw/zinc/29/48/76/702294876.db2.gz CLZRXRCYOCVUQG-UWVGGRQHSA-N 0 3 310.281 1.387 20 5 DDBDHN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112277 702298214 /nfs/dbraw/zinc/29/82/14/702298214.db2.gz OWMOPJZQMMQFKO-DESOLJLISA-N 0 3 316.379 1.453 20 5 DDBDHN CC(COC(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1)[N+](=O)[O-] ZINC000813114459 702298915 /nfs/dbraw/zinc/29/89/15/702298915.db2.gz BVATWLNPRIFQBX-CMOBGSAGSA-N 0 3 312.366 1.622 20 5 DDBDHN CC(COC(=O)CSc1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813113975 702299482 /nfs/dbraw/zinc/29/94/82/702299482.db2.gz XHPPHMMRBZAPOY-QMMMGPOBSA-N 0 3 300.292 1.895 20 5 DDBDHN C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000843059766 702810093 /nfs/dbraw/zinc/81/00/93/702810093.db2.gz NBEHKXIQRBRCBI-WHGOUJPWSA-N 0 3 308.256 1.530 20 5 DDBDHN CC(COC(=O)CN(C)c1nc2ccccc2s1)[N+](=O)[O-] ZINC000847714381 703457146 /nfs/dbraw/zinc/45/71/46/703457146.db2.gz SJALGQCSAYUUPX-SECBINFHSA-N 0 3 309.347 1.941 20 5 DDBDHN CO[C@@H]1CC[C@@H](N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000851716918 703835548 /nfs/dbraw/zinc/83/55/48/703835548.db2.gz OGOPZLSYAFUAGV-TZMCWYRMSA-N 0 3 306.366 1.679 20 5 DDBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CNC[C@H]1CCCO1)CC2 ZINC000818608471 703939123 /nfs/dbraw/zinc/93/91/23/703939123.db2.gz FBZZEODRXHJMHC-CYBMUJFWSA-N 0 3 319.361 1.561 20 5 DDBDHN COc1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000818943935 704031480 /nfs/dbraw/zinc/03/14/80/704031480.db2.gz CEISERXUTDTOKJ-AWEZNQCLSA-N 0 3 303.318 1.822 20 5 DDBDHN CN(C)c1cc(F)c(C(=O)NCCN2CCCC2)cc1[N+](=O)[O-] ZINC000822236823 704896538 /nfs/dbraw/zinc/89/65/38/704896538.db2.gz RYZPLOAUIFAKDX-UHFFFAOYSA-N 0 3 324.356 1.626 20 5 DDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000874851034 705204159 /nfs/dbraw/zinc/20/41/59/705204159.db2.gz ZCGGRJPAIMYLEC-CHWSQXEVSA-N 0 3 319.361 1.669 20 5 DDBDHN CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000860777775 705280190 /nfs/dbraw/zinc/28/01/90/705280190.db2.gz VVZBUGYFPLETLM-NXEZZACHSA-N 0 3 304.343 1.840 20 5 DDBDHN CN1CC[C@](O)(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000860826878 705293508 /nfs/dbraw/zinc/29/35/08/705293508.db2.gz PTVPFQICQXKUKV-ZDUSSCGKSA-N 0 3 313.741 1.045 20 5 DDBDHN CS[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H]1N(C)C ZINC000827426502 705997774 /nfs/dbraw/zinc/99/77/74/705997774.db2.gz SAWUMMKBIUZZTE-GHMZBOCLSA-N 0 3 303.428 1.326 20 5 DDBDHN CN1CCC[C@@H]2[C@H]1CCN2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880134675 706887134 /nfs/dbraw/zinc/88/71/34/706887134.db2.gz OIYAJPRLQNJLJW-HUUCEWRRSA-N 0 3 318.377 1.702 20 5 DDBDHN Cc1cc(N2CC[C@@H]3[C@@H]2CCCN3CCO)ncc1[N+](=O)[O-] ZINC000897220416 708258769 /nfs/dbraw/zinc/25/87/69/708258769.db2.gz AYBTWJRBMLILOM-OLZOCXBDSA-N 0 3 306.366 1.334 20 5 DDBDHN COc1cccc(N2CC[C@@H]3[C@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC000897222341 708259961 /nfs/dbraw/zinc/25/99/61/708259961.db2.gz UQGGXSVURIMMGA-CHWSQXEVSA-N 0 3 321.377 1.639 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000891814817 710301226 /nfs/dbraw/zinc/30/12/26/710301226.db2.gz JKWXGQVKFMGXKB-LBPRGKRZSA-N 0 3 309.370 1.384 20 5 DDBDHN COC(=O)c1cc(C)nc(N2CC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000893942026 710894609 /nfs/dbraw/zinc/89/46/09/710894609.db2.gz YQFCSHAPEIVHQU-CMPLNLGQSA-N 0 3 320.349 1.225 20 5 DDBDHN Cc1ccc(CN[C@@H](C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000895832356 711620134 /nfs/dbraw/zinc/62/01/34/711620134.db2.gz GFCAZYUHWCIHIK-WCQYABFASA-N 0 3 312.391 1.816 20 5 DDBDHN O=C1C[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CN1CC1CC1 ZINC000905448189 712039578 /nfs/dbraw/zinc/03/95/78/712039578.db2.gz AKRYLCRVSQPVDO-HIFRSBDPSA-N 0 3 319.361 1.229 20 5 DDBDHN CN1CCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000929224037 713570632 /nfs/dbraw/zinc/57/06/32/713570632.db2.gz HERJQKIVLBGACK-UHFFFAOYSA-N 0 3 309.341 1.831 20 5 DDBDHN O=[N+]([O-])CCN[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000930667294 713890859 /nfs/dbraw/zinc/89/08/59/713890859.db2.gz PVDQJWGEEFRBQZ-QWHCGFSZSA-N 0 3 317.311 1.883 20 5 DDBDHN O=[N+]([O-])c1ccc(CNC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000922852997 714166937 /nfs/dbraw/zinc/16/69/37/714166937.db2.gz YGSUVVPIYCBBSS-QXMXGUDHSA-N 0 3 310.375 1.793 20 5 DDBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccn[nH]1 ZINC001021857586 733622537 /nfs/dbraw/zinc/62/25/37/733622537.db2.gz WPZRKQGWHXPYBG-TXEJJXNPSA-N 0 3 315.333 1.369 20 5 DDBDHN Cc1cccnc1[C@H](C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC001198640498 747559827 /nfs/dbraw/zinc/55/98/27/747559827.db2.gz DIPKPHGZUVWYEO-LBPRGKRZSA-N 0 3 302.334 1.811 20 5 DDBDHN Cc1cnc(N2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169048644 762205997 /nfs/dbraw/zinc/20/59/97/762205997.db2.gz AGPCUPOTNFPNKJ-UONOGXRCSA-N 0 3 305.382 1.352 20 5 DDBDHN Cc1cc(N2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)ncn1 ZINC001169054952 762209910 /nfs/dbraw/zinc/20/99/10/762209910.db2.gz OMASTKBHHPMCCO-KGLIPLIRSA-N 0 3 305.382 1.352 20 5 DDBDHN COc1ccnc(N2CCCc3ccc(CN)nc32)c1[N+](=O)[O-] ZINC001169585007 762544944 /nfs/dbraw/zinc/54/49/44/762544944.db2.gz WPGCXOAJJFZASK-UHFFFAOYSA-N 0 3 315.333 1.936 20 5 DDBDHN CC(C)N(C)CC(=O)N(C)CCCNc1ncccc1[N+](=O)[O-] ZINC001109463505 763732093 /nfs/dbraw/zinc/73/20/93/763732093.db2.gz LMMDDYJBWQLWSL-UHFFFAOYSA-N 0 3 323.397 1.590 20 5 DDBDHN COCCC(C)(C)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001146223458 772821307 /nfs/dbraw/zinc/82/13/07/772821307.db2.gz XXGZDYXREWJMJI-UHFFFAOYSA-N 0 3 323.393 1.863 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)C1(N(C)C)CCC1 ZINC001093927752 775220721 /nfs/dbraw/zinc/22/07/21/775220721.db2.gz MXJMLORFVBPHLO-UHFFFAOYSA-N 0 3 321.381 1.311 20 5 DDBDHN CN(CC(=O)NCCNc1ncccc1[N+](=O)[O-])CC(C)(C)C ZINC001094141397 775525625 /nfs/dbraw/zinc/52/56/25/775525625.db2.gz UPYXCDZCPFHLPQ-UHFFFAOYSA-N 0 3 323.397 1.496 20 5 DDBDHN Cc1ccc(N(C)CCNC(=O)CN(C)C(C)C)c([N+](=O)[O-])c1 ZINC001100149704 775735230 /nfs/dbraw/zinc/73/52/30/775735230.db2.gz LZZHZFDHMXKVEC-UHFFFAOYSA-N 0 3 322.409 1.796 20 5 DDBDHN CCN(CC)CC(=O)NCCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001094441850 775877813 /nfs/dbraw/zinc/87/78/13/775877813.db2.gz GIUKFIKCEDTAIN-UHFFFAOYSA-N 0 3 323.397 1.558 20 5 DDBDHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC001268515214 840350883 /nfs/dbraw/zinc/35/08/83/840350883.db2.gz SLVNYZVLZZXCJG-OWOJBTEDSA-N 0 3 315.333 1.394 20 5 DDBDHN NCc1ccnn1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001155123719 861755828 /nfs/dbraw/zinc/75/58/28/861755828.db2.gz GPLVZWHLQPTKIA-UHFFFAOYSA-N 0 3 303.656 1.896 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3CCCN(C)[C@@H]3C2)n1 ZINC001157282400 863708863 /nfs/dbraw/zinc/70/88/63/863708863.db2.gz NBWPIYZLELCEHC-ZWNOBZJWSA-N 0 3 320.349 1.307 20 5 DDBDHN Cc1cc(Cl)c([N+](=O)[O-])c(NC(=N)N2CCN(C)CC2)n1 ZINC001157915480 864257926 /nfs/dbraw/zinc/25/79/26/864257926.db2.gz ZBSXVOPUVCCPLR-UHFFFAOYSA-N 0 3 312.761 1.546 20 5 DDBDHN C[C@H](Nc1nccc2ccc([N+](=O)[O-])cc21)[C@H]1CNCCO1 ZINC001159497466 865350263 /nfs/dbraw/zinc/35/02/63/865350263.db2.gz IHEKKYNQXGUFDZ-IINYFYTJSA-N 0 3 302.334 1.932 20 5 DDBDHN Cc1cc(Cl)nc(N[C@H](C)[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159499701 865355693 /nfs/dbraw/zinc/35/56/93/865355693.db2.gz UYPMPPVSLOVATO-RKDXNWHRSA-N 0 3 300.746 1.740 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC001332403323 865816131 /nfs/dbraw/zinc/81/61/31/865816131.db2.gz PVVNHMYDBNDLAQ-YGRLFVJLSA-N 0 3 304.350 1.713 20 5 DDBDHN CC(C)N1CCN(CCCn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001320633117 866904022 /nfs/dbraw/zinc/90/40/22/866904022.db2.gz KCZFHPMVMFYSLO-UHFFFAOYSA-N 0 3 308.382 1.173 20 5 DDBDHN Cc1nc(CNCC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)co1 ZINC001164494340 869232283 /nfs/dbraw/zinc/23/22/83/869232283.db2.gz GDBZAMPJLQIUHY-CHWSQXEVSA-N 0 3 322.365 1.024 20 5 DDBDHN CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCN(CC(C)C)CC1 ZINC001339468510 870513986 /nfs/dbraw/zinc/51/39/86/870513986.db2.gz WEXJEAWRRWRARC-LBPRGKRZSA-N 0 3 310.402 1.414 20 5 DDBDHN CCN1CC[C@@H](Oc2cc(C(=O)OC)c([N+](=O)[O-])cc2OC)C1 ZINC001226441554 882434562 /nfs/dbraw/zinc/43/45/62/882434562.db2.gz RICWHBLAMLCOBC-SNVBAGLBSA-N 0 3 324.333 1.863 20 5 DDBDHN CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CCN(CC(C)C)CC1 ZINC001343630179 872692578 /nfs/dbraw/zinc/69/25/78/872692578.db2.gz IHKHHAIRVHFHFS-UHFFFAOYSA-N 0 3 324.429 1.489 20 5 DDBDHN COCCCC(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001234397368 887934494 /nfs/dbraw/zinc/93/44/94/887934494.db2.gz BMRGYSLWMXBNOM-UHFFFAOYSA-N 0 3 323.393 1.960 20 5 DDBDHN Cn1c(C[N+](=O)[O-])nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001262864180 900400314 /nfs/dbraw/zinc/40/03/14/900400314.db2.gz ANRACPGDWYJREU-UHFFFAOYSA-N 0 3 310.402 1.150 20 5 DDBDHN COc1ccc(CN(C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090512317 185299695 /nfs/dbraw/zinc/29/96/95/185299695.db2.gz JCTHXVYRTIULNO-UHFFFAOYSA-N 0 3 317.345 1.897 20 5 DDBDHN CCOC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090549242 185302366 /nfs/dbraw/zinc/30/23/66/185302366.db2.gz TUJQOAGNSNJDSH-CYBMUJFWSA-N 0 3 309.366 1.505 20 5 DDBDHN C[NH2+]C[C@@H](C)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000133226179 290680698 /nfs/dbraw/zinc/68/06/98/290680698.db2.gz AQYZKIDFIAUANL-SECBINFHSA-N 0 3 301.368 1.037 20 5 DDBDHN CN(CCC(N)=O)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000286625507 219091085 /nfs/dbraw/zinc/09/10/85/219091085.db2.gz XWOJDQGEIMINRL-UHFFFAOYSA-N 0 3 318.333 1.600 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCN2CCC[C@@H]2C1 ZINC000358395660 299142024 /nfs/dbraw/zinc/14/20/24/299142024.db2.gz PGRGLIJPBIOLBN-CYBMUJFWSA-N 0 3 307.325 1.583 20 5 DDBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000138649610 186018234 /nfs/dbraw/zinc/01/82/34/186018234.db2.gz ARJHYFJUWAIJNK-GMTAPVOTSA-N 0 3 309.370 1.414 20 5 DDBDHN COCCCN(C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000152521566 186081627 /nfs/dbraw/zinc/08/16/27/186081627.db2.gz BPDQHKDIZRVPIR-UHFFFAOYSA-N 0 3 309.366 1.601 20 5 DDBDHN CC(C)CN1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000049969122 352559328 /nfs/dbraw/zinc/55/93/28/352559328.db2.gz QUIZIVXIGCYWBO-UHFFFAOYSA-N 0 3 320.393 1.807 20 5 DDBDHN CC(C)N(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000052875304 352630122 /nfs/dbraw/zinc/63/01/22/352630122.db2.gz LQIVUAMKTWYXFM-UHFFFAOYSA-N 0 3 320.393 1.584 20 5 DDBDHN Cc1cc(C(=O)Nc2cnn(CCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000061635816 352891664 /nfs/dbraw/zinc/89/16/64/352891664.db2.gz RTGRTEQUHMTDJV-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN O=C1C[C@@]2(CN1)CCCN(CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000072830759 353219525 /nfs/dbraw/zinc/21/95/25/353219525.db2.gz UACFNEQOGLDTFM-MRXNPFEDSA-N 0 3 319.361 1.576 20 5 DDBDHN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1 ZINC000072952889 353227393 /nfs/dbraw/zinc/22/73/93/353227393.db2.gz MAWGNAYUPRIYJD-CQSZACIVSA-N 0 3 302.334 1.956 20 5 DDBDHN Cc1cc(NC2CCN(CCN(C)C)CC2)ncc1[N+](=O)[O-] ZINC000074740238 353327732 /nfs/dbraw/zinc/32/77/32/353327732.db2.gz XLUBSCAGRXNMQS-UHFFFAOYSA-N 0 3 307.398 1.736 20 5 DDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1ccc([N+](=O)[O-])cc1 ZINC000091478046 353827214 /nfs/dbraw/zinc/82/72/14/353827214.db2.gz SNFNRHJRHUAAFN-OAHLLOKOSA-N 0 3 320.393 1.949 20 5 DDBDHN COc1cc(C(=O)N[C@H]2CCN(CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000108304201 353949534 /nfs/dbraw/zinc/94/95/34/353949534.db2.gz LFXWHYDQUMZZSJ-ZDUSSCGKSA-N 0 3 319.361 1.818 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](CO)CC2)c1 ZINC000293114302 354454050 /nfs/dbraw/zinc/45/40/50/354454050.db2.gz LVKSBXOYNPTBIA-HIFRSBDPSA-N 0 3 324.377 1.429 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3CCC[C@H]3C2)c1 ZINC000316903140 354506879 /nfs/dbraw/zinc/50/68/79/354506879.db2.gz PAOXBICMQAWGIS-LBPRGKRZSA-N 0 3 305.334 1.666 20 5 DDBDHN CC(C)N1CCN([C@@H]2CCN(c3ccncc3[N+](=O)[O-])C2)CC1 ZINC000588823301 354939549 /nfs/dbraw/zinc/93/95/49/354939549.db2.gz JOSZDKFLNUWMBH-CQSZACIVSA-N 0 3 319.409 1.595 20 5 DDBDHN COc1cccc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000590447424 355099274 /nfs/dbraw/zinc/09/92/74/355099274.db2.gz XDCSNEKQAIPBIM-ZYHUDNBSSA-N 0 3 305.334 1.380 20 5 DDBDHN CN1CC[C@@H]2CN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]21 ZINC000590659994 355139861 /nfs/dbraw/zinc/13/98/61/355139861.db2.gz RIPNZYFSDJLEKN-ABAIWWIYSA-N 0 3 319.361 1.597 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1CCC[C@H]1O)OCCO2 ZINC000590663108 355139890 /nfs/dbraw/zinc/13/98/90/355139890.db2.gz KZEKDVGBXLDXGR-GXFFZTMASA-N 0 3 308.334 1.617 20 5 DDBDHN C[C@@H]1C[C@@H]1c1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000591729268 355373778 /nfs/dbraw/zinc/37/37/78/355373778.db2.gz YNHLQCAURCNXJE-OSMZGAPFSA-N 0 3 320.349 1.658 20 5 DDBDHN Cc1ccc(NCCCNC(=O)[C@@H]2NCC2(C)C)c([N+](=O)[O-])c1 ZINC000591667931 355357520 /nfs/dbraw/zinc/35/75/20/355357520.db2.gz GJLRVGJKQWQYCK-AWEZNQCLSA-N 0 3 320.393 1.819 20 5 DDBDHN CCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000592829334 355705926 /nfs/dbraw/zinc/70/59/26/355705926.db2.gz NXKHYASARCWTQN-NSHDSACASA-N 0 3 323.397 1.998 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCCC[C@@H]1CO ZINC000594017221 356089842 /nfs/dbraw/zinc/08/98/42/356089842.db2.gz VQWCGWKJPHVLBY-KGLIPLIRSA-N 0 3 324.377 1.571 20 5 DDBDHN C[C@H]1CCN(CC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000594357517 356182236 /nfs/dbraw/zinc/18/22/36/356182236.db2.gz OSMOWHWMNQZRJQ-ZDUSSCGKSA-N 0 3 305.378 1.938 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594418564 356204044 /nfs/dbraw/zinc/20/40/44/356204044.db2.gz KDZXQNSEIRHDJO-RYUDHWBXSA-N 0 3 321.381 1.627 20 5 DDBDHN O=[N+]([O-])c1cc(CNC2CCN([C@H]3CCOC3)CC2)cs1 ZINC000594992143 356369100 /nfs/dbraw/zinc/36/91/00/356369100.db2.gz BEBDQUFPDIPWTD-ZDUSSCGKSA-N 0 3 311.407 1.999 20 5 DDBDHN NC(=O)c1ccc(CNC2(CCO)CCCC2)c([N+](=O)[O-])c1 ZINC000595509024 356525424 /nfs/dbraw/zinc/52/54/24/356525424.db2.gz NHOBLGKSMQTKFR-UHFFFAOYSA-N 0 3 307.350 1.479 20 5 DDBDHN CO[C@@]1(CO)CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595659799 356595876 /nfs/dbraw/zinc/59/58/76/356595876.db2.gz AOZLARFOVZVIAH-HNNXBMFYSA-N 0 3 310.350 1.447 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1O ZINC000595748321 356634719 /nfs/dbraw/zinc/63/47/19/356634719.db2.gz FNDKNAFLWDZUBV-YRGRVCCFSA-N 0 3 324.377 1.283 20 5 DDBDHN CN(CC1=CCSC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595895042 356694901 /nfs/dbraw/zinc/69/49/01/356694901.db2.gz BQKPATCKCHCKRL-AWEZNQCLSA-N 0 3 324.402 1.940 20 5 DDBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](F)[C@H](N)C1 ZINC000595906966 356700861 /nfs/dbraw/zinc/70/08/61/356700861.db2.gz PHBDPEZDUIEGEI-HBNTYKKESA-N 0 3 310.329 1.293 20 5 DDBDHN CCn1nccc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000596071495 356761993 /nfs/dbraw/zinc/76/19/93/356761993.db2.gz ZYPFDRDLNKZUIF-ZDUSSCGKSA-N 0 3 320.349 1.341 20 5 DDBDHN CCN1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596121319 356781084 /nfs/dbraw/zinc/78/10/84/356781084.db2.gz VOWBIKGRCJTAPC-GFCCVEGCSA-N 0 3 306.366 1.980 20 5 DDBDHN C[C@@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C)O1 ZINC000347605125 283241350 /nfs/dbraw/zinc/24/13/50/283241350.db2.gz IZVHERAXFGTJPQ-TXEJJXNPSA-N 0 3 324.381 1.542 20 5 DDBDHN CN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@H]1CCN(C2CC2)C1 ZINC000347890595 283291624 /nfs/dbraw/zinc/29/16/24/283291624.db2.gz KDWBUUSUFWJTHN-LBPRGKRZSA-N 0 3 321.381 1.222 20 5 DDBDHN CCOC(=O)C[C@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000599404966 357924058 /nfs/dbraw/zinc/92/40/58/357924058.db2.gz OMUCAOFIQDTGEF-AWEZNQCLSA-N 0 3 310.350 1.383 20 5 DDBDHN C[C@]1(CO)CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000599624935 357996907 /nfs/dbraw/zinc/99/69/07/357996907.db2.gz ZIMIKZPTBAXUDM-IYBDPMFKSA-N 0 3 324.377 1.286 20 5 DDBDHN CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000599986160 358096746 /nfs/dbraw/zinc/09/67/46/358096746.db2.gz OWSAXJPJTKNWHX-UHFFFAOYSA-N 0 3 321.377 1.916 20 5 DDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000600472263 358233848 /nfs/dbraw/zinc/23/38/48/358233848.db2.gz NMEXCWXHZFUUAV-GFCCVEGCSA-N 0 3 318.377 1.924 20 5 DDBDHN O=[N+]([O-])c1ccccc1/C=C/CNC1CN(c2ccncn2)C1 ZINC000601157704 358426014 /nfs/dbraw/zinc/42/60/14/358426014.db2.gz DPPJFBDVPJKYQW-HWKANZROSA-N 0 3 311.345 1.876 20 5 DDBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000601422100 358545015 /nfs/dbraw/zinc/54/50/15/358545015.db2.gz PJAIUCMEJCSJTK-RKDXNWHRSA-N 0 3 319.408 1.369 20 5 DDBDHN CCOc1cc(CN[C@@H]2CCC[C@H]2C(=O)NC)ccc1[N+](=O)[O-] ZINC000348146808 283390146 /nfs/dbraw/zinc/39/01/46/283390146.db2.gz FTSYPIIMVFWLNG-CHWSQXEVSA-N 0 3 321.377 1.998 20 5 DDBDHN O=C1[C@@H](NCCc2ccc([N+](=O)[O-])cc2)CCN1C1CCC1 ZINC000601930068 358743106 /nfs/dbraw/zinc/74/31/06/358743106.db2.gz DZNHCIOXURBUGI-HNNXBMFYSA-N 0 3 303.362 1.880 20 5 DDBDHN COC[C@]1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCCCN1 ZINC000602440539 358978179 /nfs/dbraw/zinc/97/81/79/358978179.db2.gz QOCHDUMZMSGLMG-HNNXBMFYSA-N 0 3 307.350 1.370 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000602783086 359188996 /nfs/dbraw/zinc/18/89/96/359188996.db2.gz YESKUXVPIIDHBT-GFCCVEGCSA-N 0 3 324.381 1.763 20 5 DDBDHN Cn1cc(CN2CCC[C@H](N3CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000602707128 359137686 /nfs/dbraw/zinc/13/76/86/359137686.db2.gz CPDGQFNVZLCKQI-AWEZNQCLSA-N 0 3 323.397 1.015 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](CN2CCCC2=O)C1 ZINC000602903829 359283995 /nfs/dbraw/zinc/28/39/95/359283995.db2.gz SUFAFDCSXSEORT-ZDUSSCGKSA-N 0 3 321.381 1.044 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000186825286 200018170 /nfs/dbraw/zinc/01/81/70/200018170.db2.gz XQKFUJGWWZLFAB-ZLDLUXBVSA-N 0 3 310.350 1.037 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H]1CCCOC1)OCCO2 ZINC000604532805 359762239 /nfs/dbraw/zinc/76/22/39/359762239.db2.gz KZJMPMDGGHNLDH-LLVKDONJSA-N 0 3 308.334 1.882 20 5 DDBDHN O=C(NCCN1CCCC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000608990159 360257097 /nfs/dbraw/zinc/25/70/97/360257097.db2.gz NADZGLWLUXNUGW-UHFFFAOYSA-N 0 3 321.333 1.192 20 5 DDBDHN CNc1ccc(C(=O)N[C@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000609383605 360303404 /nfs/dbraw/zinc/30/34/04/360303404.db2.gz WIKONWGIJSNAOG-ZDUSSCGKSA-N 0 3 318.377 1.851 20 5 DDBDHN CN1CCC[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000609471159 360311502 /nfs/dbraw/zinc/31/15/02/360311502.db2.gz CWHGPHBJPFHBAN-GFCCVEGCSA-N 0 3 322.365 1.367 20 5 DDBDHN Cc1ccncc1[C@@H](C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000611939168 360862970 /nfs/dbraw/zinc/86/29/70/360862970.db2.gz OSCCESIWCODPQV-GFCCVEGCSA-N 0 3 302.334 1.811 20 5 DDBDHN CO[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000275526526 212395232 /nfs/dbraw/zinc/39/52/32/212395232.db2.gz WHUIJTWJYRNJQD-NSHDSACASA-N 0 3 311.313 1.783 20 5 DDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262724532 203393382 /nfs/dbraw/zinc/39/33/82/203393382.db2.gz GSSVGOCMRBYTDN-WDEREUQCSA-N 0 3 318.377 1.992 20 5 DDBDHN C[C@H](CO)[C@H](C)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000274042309 211300331 /nfs/dbraw/zinc/30/03/31/211300331.db2.gz ORNJLDWOWZEJMU-BDAKNGLRSA-N 0 3 315.757 1.793 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1[C@H]1CCCO1 ZINC000284669836 218124295 /nfs/dbraw/zinc/12/42/95/218124295.db2.gz GUTZNXJURBHRSG-UONOGXRCSA-N 0 3 307.350 1.400 20 5 DDBDHN NC(=O)C[C@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000339140068 250311774 /nfs/dbraw/zinc/31/17/74/250311774.db2.gz LDAUOCDJSNKIDX-CYBMUJFWSA-N 0 3 307.350 1.704 20 5 DDBDHN CCN1CCN(CCCNc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268427568 206705672 /nfs/dbraw/zinc/70/56/72/206705672.db2.gz AMELFDLAPJQNBG-UHFFFAOYSA-N 0 3 307.398 1.738 20 5 DDBDHN Cc1cccc(C(=O)NC[C@@](C)(O)CCN(C)C)c1[N+](=O)[O-] ZINC000352107307 284788436 /nfs/dbraw/zinc/78/84/36/284788436.db2.gz PNIMQKRYQBZPGB-HNNXBMFYSA-N 0 3 309.366 1.336 20 5 DDBDHN Cc1ccc([C@H](C)NC[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000268847717 207015609 /nfs/dbraw/zinc/01/56/09/207015609.db2.gz BQBWEFGGCYOTGC-ZFWWWQNUSA-N 0 3 306.410 1.800 20 5 DDBDHN O=C(N[C@@H]1CCN(C2CC2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000340992611 251323333 /nfs/dbraw/zinc/32/33/33/251323333.db2.gz NIMCABNANJMBNF-SECBINFHSA-N 0 3 315.333 1.438 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@]1(C)CCO[C@@H]1C ZINC000494237774 533139035 /nfs/dbraw/zinc/13/90/35/533139035.db2.gz MZHXHRJWLUZGTJ-BMIGLBTASA-N 0 3 323.349 1.699 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCC[NH2+]C1 ZINC000071397247 296499773 /nfs/dbraw/zinc/49/97/73/296499773.db2.gz YXTZSHCNLIKJOA-VIFPVBQESA-N 0 3 319.770 1.279 20 5 DDBDHN COC(=O)[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000066832330 407260615 /nfs/dbraw/zinc/26/06/15/407260615.db2.gz PNXKDQNHYBRLJM-LBPRGKRZSA-N 0 3 308.334 1.859 20 5 DDBDHN CCCN(C)CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000063761987 407235068 /nfs/dbraw/zinc/23/50/68/407235068.db2.gz WEHVWNQGHTXWEY-UHFFFAOYSA-N 0 3 320.393 1.585 20 5 DDBDHN CN1CCC(O)(CNCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000265849364 407483687 /nfs/dbraw/zinc/48/36/87/407483687.db2.gz HWSOLCUWECPOQY-UHFFFAOYSA-N 0 3 313.785 1.795 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000271001292 407462649 /nfs/dbraw/zinc/46/26/49/407462649.db2.gz LQDABOBDYCBZQC-LLVKDONJSA-N 0 3 323.397 1.288 20 5 DDBDHN COCCN(C)CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000171070434 407587545 /nfs/dbraw/zinc/58/75/45/407587545.db2.gz BRDFNXVDJPYUKS-UHFFFAOYSA-N 0 3 322.365 1.470 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCCN(C3CC3)CC2)c1 ZINC000178858401 407630818 /nfs/dbraw/zinc/63/08/18/407630818.db2.gz NVWYJMMKYISOBF-INIZCTEOSA-N 0 3 305.378 1.798 20 5 DDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000115432799 407679740 /nfs/dbraw/zinc/67/97/40/407679740.db2.gz NPEXMZSAIMIWHV-CYBMUJFWSA-N 0 3 321.377 1.774 20 5 DDBDHN O=C(Nc1ccc(N2CCNCC2)cn1)c1ccc([N+](=O)[O-])o1 ZINC000261967367 407694672 /nfs/dbraw/zinc/69/46/72/407694672.db2.gz YLVAIDZAGKWCSZ-UHFFFAOYSA-N 0 3 317.305 1.245 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](Oc3ccncc3)C2)n1 ZINC000131842881 407756261 /nfs/dbraw/zinc/75/62/61/407756261.db2.gz FXLFYXUYRUZSKX-ZDUSSCGKSA-N 0 3 303.322 1.340 20 5 DDBDHN COCCNCCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000237312852 407813862 /nfs/dbraw/zinc/81/38/62/407813862.db2.gz CEANPWPGTNAPMT-HWKANZROSA-N 0 3 311.313 1.099 20 5 DDBDHN CNC(=O)c1ccc(N[C@H]2CN(C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000268171917 407925342 /nfs/dbraw/zinc/92/53/42/407925342.db2.gz QTWXJGVYMYZILG-YGRLFVJLSA-N 0 3 318.377 1.849 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1 ZINC000245443750 407984618 /nfs/dbraw/zinc/98/46/18/407984618.db2.gz JCBCKDAIWRZTBT-NEPJUHHUSA-N 0 3 319.361 1.912 20 5 DDBDHN CN(C)CCN(Cc1ccccc1)c1c([N+](=O)[O-])ncn1C ZINC000268304620 407990777 /nfs/dbraw/zinc/99/07/77/407990777.db2.gz IETBNHJAOXNKAR-UHFFFAOYSA-N 0 3 303.366 1.897 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCSCC1 ZINC000273170913 408091738 /nfs/dbraw/zinc/09/17/38/408091738.db2.gz OTZNHASXHUBTOZ-LBPRGKRZSA-N 0 3 312.391 1.773 20 5 DDBDHN C[C@@H](N[C@H](CC(N)=O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000181934296 408055907 /nfs/dbraw/zinc/05/59/07/408055907.db2.gz GRWSKKQOZHZGRM-IAQYHMDHSA-N 0 3 321.377 1.916 20 5 DDBDHN CN1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000264014657 408344827 /nfs/dbraw/zinc/34/48/27/408344827.db2.gz WFVOASOODVWILC-UHFFFAOYSA-N 0 3 312.395 1.024 20 5 DDBDHN C[C@H](O)[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000183225433 408360467 /nfs/dbraw/zinc/36/04/67/408360467.db2.gz QQHCYTHPSTUFMN-OBJOEFQTSA-N 0 3 310.350 1.037 20 5 DDBDHN Nc1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000171451207 162219529 /nfs/dbraw/zinc/21/95/29/162219529.db2.gz ODDRGIQDRQGUNL-LBPRGKRZSA-N 0 3 304.350 1.487 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000247318325 408448648 /nfs/dbraw/zinc/44/86/48/408448648.db2.gz MIJYZYZAUUQHTQ-MWLCHTKSSA-N 0 3 309.370 1.095 20 5 DDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000247340720 408453810 /nfs/dbraw/zinc/45/38/10/408453810.db2.gz JFAWDLMMMDJZQS-SWLSCSKDSA-N 0 3 305.378 1.936 20 5 DDBDHN CC(C)[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000247237118 408435661 /nfs/dbraw/zinc/43/56/61/408435661.db2.gz DKFYHXZEQKVNIN-CHWSQXEVSA-N 0 3 314.411 1.226 20 5 DDBDHN Cc1nn(CCC(=O)N2CCC[C@@H](N(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000264464606 408502304 /nfs/dbraw/zinc/50/23/04/408502304.db2.gz ZIKRCJSBJXZGIR-CYBMUJFWSA-N 0 3 323.397 1.351 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177087994 408516038 /nfs/dbraw/zinc/51/60/38/408516038.db2.gz LOLMANGLGOBSRZ-RYUDHWBXSA-N 0 3 319.361 1.715 20 5 DDBDHN CCN(CCO)CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000183974565 408522302 /nfs/dbraw/zinc/52/23/02/408522302.db2.gz ZPGWGILPUQLABY-BQYQJAHWSA-N 0 3 307.350 1.038 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCC2(N(C)C)CCC2)c1 ZINC000275852775 408696386 /nfs/dbraw/zinc/69/63/86/408696386.db2.gz IDPDFYFCOQRPFV-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN C[C@H]1C[C@@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])CCN1C ZINC000290863214 408846476 /nfs/dbraw/zinc/84/64/76/408846476.db2.gz YVJJQCLEYDRNKA-UWVGGRQHSA-N 0 3 307.354 1.008 20 5 DDBDHN CO[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000281674564 408907847 /nfs/dbraw/zinc/90/78/47/408907847.db2.gz LWIYKCOUAJRHLT-BFHYXJOUSA-N 0 3 324.377 1.834 20 5 DDBDHN C[C@H](CCN(C)C)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286186962 408939932 /nfs/dbraw/zinc/93/99/32/408939932.db2.gz JNVWXTIASZGCCK-SECBINFHSA-N 0 3 305.338 1.996 20 5 DDBDHN O=C(NCCCNCc1cccnc1)c1csc([N+](=O)[O-])c1 ZINC000238049651 163397044 /nfs/dbraw/zinc/39/70/44/163397044.db2.gz CPHMOLWYJLNFFO-UHFFFAOYSA-N 0 3 320.374 1.961 20 5 DDBDHN CN(C)CCN1CCC(Nc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286264267 408951771 /nfs/dbraw/zinc/95/17/71/408951771.db2.gz WBRLPISQMJWFSK-UHFFFAOYSA-N 0 3 307.398 1.615 20 5 DDBDHN C[C@@H](NCCCN1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293628301 409150450 /nfs/dbraw/zinc/15/04/50/409150450.db2.gz HIYZEHGJDCTADA-GFCCVEGCSA-N 0 3 308.382 1.550 20 5 DDBDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000293687232 409161130 /nfs/dbraw/zinc/16/11/30/409161130.db2.gz NSBSZDUCCHIOSN-NXEZZACHSA-N 0 3 313.379 1.183 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CN1C1CC1 ZINC000279492328 409223750 /nfs/dbraw/zinc/22/37/50/409223750.db2.gz RSEFPJUUPNLAIC-BDAKNGLRSA-N 0 3 322.340 1.671 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CN1C1CC1 ZINC000279492332 409223813 /nfs/dbraw/zinc/22/38/13/409223813.db2.gz RSEFPJUUPNLAIC-DTWKUNHWSA-N 0 3 322.340 1.671 20 5 DDBDHN C[C@H](NC1CC1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000294696765 409296900 /nfs/dbraw/zinc/29/69/00/409296900.db2.gz GIQGHCOVRFYNIZ-LBPRGKRZSA-N 0 3 318.377 1.384 20 5 DDBDHN COCCOC[C@@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000295194386 409367905 /nfs/dbraw/zinc/36/79/05/409367905.db2.gz LTQMLPHXCKJHAP-LBPRGKRZSA-N 0 3 312.366 1.443 20 5 DDBDHN C[C@@]1(F)CNCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000295210695 409376467 /nfs/dbraw/zinc/37/64/67/409376467.db2.gz LNKGICWICNPCIB-CQSZACIVSA-N 0 3 321.312 1.245 20 5 DDBDHN CS[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296233464 409473822 /nfs/dbraw/zinc/47/38/22/409473822.db2.gz KTIWJEMKZCPREF-NEPJUHHUSA-N 0 3 312.391 1.772 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C)CC[C@@H]1C ZINC000354006987 409596447 /nfs/dbraw/zinc/59/64/47/409596447.db2.gz OFVGNGXVFMHWQK-NSHDSACASA-N 0 3 309.370 1.042 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCc3c2cccc3O)c1 ZINC000296962570 409730286 /nfs/dbraw/zinc/73/02/86/409730286.db2.gz YIRUTSBKPVIQOW-RISCZKNCSA-N 0 3 318.333 1.135 20 5 DDBDHN CN(CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CC1 ZINC000342896436 409982111 /nfs/dbraw/zinc/98/21/11/409982111.db2.gz CRTFMFZLUSHRIA-UHFFFAOYSA-N 0 3 302.334 1.900 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000332239810 410007249 /nfs/dbraw/zinc/00/72/49/410007249.db2.gz IOIPQZRZMLZKKB-NXEZZACHSA-N 0 3 317.349 1.684 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC[NH+](C)C ZINC000298495633 410255129 /nfs/dbraw/zinc/25/51/29/410255129.db2.gz OBVHPECCJRURCJ-UHFFFAOYSA-N 0 3 301.368 1.133 20 5 DDBDHN COc1ccc(NC(=O)CN2CCCN(C)CC2)c([N+](=O)[O-])c1 ZINC000298679325 410343120 /nfs/dbraw/zinc/34/31/20/410343120.db2.gz SLLDAYUTAFGVBG-UHFFFAOYSA-N 0 3 322.365 1.179 20 5 DDBDHN COC[C@@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000347805631 410730484 /nfs/dbraw/zinc/73/04/84/410730484.db2.gz PQYFOUAHQMJYHW-GFCCVEGCSA-N 0 3 307.350 1.856 20 5 DDBDHN NC(C(=O)NCCNc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000353122567 410798821 /nfs/dbraw/zinc/79/88/21/410798821.db2.gz ASDMSNQNRZCPIG-VIFPVBQESA-N 0 3 306.244 1.013 20 5 DDBDHN C[C@@H]1CCCN(CCNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301915424 410830435 /nfs/dbraw/zinc/83/04/35/410830435.db2.gz ISDNIPOFSDPNDM-LLVKDONJSA-N 0 3 304.354 1.781 20 5 DDBDHN Cc1c([C@H](C)NC[C@@H]2CN(C)CCN2C)cccc1[N+](=O)[O-] ZINC000330673533 410866141 /nfs/dbraw/zinc/86/61/41/410866141.db2.gz HKGPOMFCILMVPH-UONOGXRCSA-N 0 3 306.410 1.800 20 5 DDBDHN C[C@H]1CC[C@@H](C(N)=O)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000348522942 410997041 /nfs/dbraw/zinc/99/70/41/410997041.db2.gz AQSBBLMXRRVNSX-NWDGAFQWSA-N 0 3 307.350 1.559 20 5 DDBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2C[C@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000580446424 422934326 /nfs/dbraw/zinc/93/43/26/422934326.db2.gz LDMKTLBFGMTLTP-BPNCWPANSA-N 0 3 321.377 1.979 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@H](N2CCCC2)C1 ZINC000366142785 418433334 /nfs/dbraw/zinc/43/33/34/418433334.db2.gz MWLGCYLOZJSTGT-ZDUSSCGKSA-N 0 3 304.350 1.690 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(OCC3CC3)CC2)c1 ZINC000374129218 418491530 /nfs/dbraw/zinc/49/15/30/418491530.db2.gz GSKQCOUNEAPCFB-AWEZNQCLSA-N 0 3 324.381 1.043 20 5 DDBDHN O=[N+]([O-])c1cnccc1N1CCN(CC2CCOCC2)CC1 ZINC000360982411 418560610 /nfs/dbraw/zinc/56/06/10/418560610.db2.gz BLCPBUIIOLOGIZ-UHFFFAOYSA-N 0 3 306.366 1.538 20 5 DDBDHN CC1(C)[C@@H](O)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361403210 418645899 /nfs/dbraw/zinc/64/58/99/418645899.db2.gz NFYCZFSURSATDG-JSGCOSHPSA-N 0 3 310.350 1.180 20 5 DDBDHN CN1CCC[C@H](N2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)C1 ZINC000365100675 418837291 /nfs/dbraw/zinc/83/72/91/418837291.db2.gz PPFUCTDQZMEIDH-AWEZNQCLSA-N 0 3 322.384 1.950 20 5 DDBDHN C[C@H]1[C@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000411430317 418903395 /nfs/dbraw/zinc/90/33/95/418903395.db2.gz OALBNPRODBTTJM-STQMWFEESA-N 0 3 320.393 1.948 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]2CCO)c1 ZINC000426254578 419423815 /nfs/dbraw/zinc/42/38/15/419423815.db2.gz DZLRASKILOYYJZ-TZMCWYRMSA-N 0 3 310.350 1.181 20 5 DDBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCCN1C ZINC000420996871 419431404 /nfs/dbraw/zinc/43/14/04/419431404.db2.gz GHYQFRNBLAXINB-ZDUSSCGKSA-N 0 3 306.366 1.220 20 5 DDBDHN C[C@@H]1COCC[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000432357657 229098295 /nfs/dbraw/zinc/09/82/95/229098295.db2.gz MHQSGRAFIUVTPA-YGRLFVJLSA-N 0 3 308.334 1.976 20 5 DDBDHN CC1(C)C[C@H](NC[C@H]2CNCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000423580167 420086110 /nfs/dbraw/zinc/08/61/10/420086110.db2.gz XHTIRRHKOZJKPL-DOMZBBRYSA-N 0 3 305.378 1.895 20 5 DDBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000420010831 420089859 /nfs/dbraw/zinc/08/98/59/420089859.db2.gz HMGSGSMZTFOHGH-CQSZACIVSA-N 0 3 313.329 1.166 20 5 DDBDHN COc1cccc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000425068911 420325778 /nfs/dbraw/zinc/32/57/78/420325778.db2.gz USYHQPYCCBYIHP-WCQYABFASA-N 0 3 319.361 1.770 20 5 DDBDHN C[C@@H](O)CN1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000438278365 420448106 /nfs/dbraw/zinc/44/81/06/420448106.db2.gz DOBMADSFWGIUEH-KXQLTZBTSA-N 0 3 305.378 1.606 20 5 DDBDHN C[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000441692434 420660232 /nfs/dbraw/zinc/66/02/32/420660232.db2.gz TUCRKFAXGKSFBY-XPKDYRNWSA-N 0 3 324.377 1.427 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCC[C@@]1(C)CO ZINC000492892866 420701050 /nfs/dbraw/zinc/70/10/50/420701050.db2.gz PHNPNZBDXRMFSQ-BBRMVZONSA-N 0 3 321.377 1.982 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000454376794 420849432 /nfs/dbraw/zinc/84/94/32/420849432.db2.gz SVXJJVSKXZDPLH-JTQLQIEISA-N 0 3 307.354 1.246 20 5 DDBDHN C[C@@]1(CO)CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000546810969 421310579 /nfs/dbraw/zinc/31/05/79/421310579.db2.gz DRBANJHDLSYPCQ-WFASDCNBSA-N 0 3 310.350 1.181 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(CC[C@@H]3CCCO3)CC2)cn1 ZINC000526058571 421327222 /nfs/dbraw/zinc/32/72/22/421327222.db2.gz BZULSBGECWBIGO-AWEZNQCLSA-N 0 3 306.366 1.681 20 5 DDBDHN CNc1nc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)ccc1[N+](=O)[O-] ZINC000563397794 421501547 /nfs/dbraw/zinc/50/15/47/421501547.db2.gz WMSYICOKAGLPCE-WDEREUQCSA-N 0 3 319.365 1.340 20 5 DDBDHN Cc1cc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])ccn1 ZINC000516965660 421584361 /nfs/dbraw/zinc/58/43/61/421584361.db2.gz GKGVXUSFMVPYDV-CQSZACIVSA-N 0 3 317.345 1.828 20 5 DDBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000571223226 421698501 /nfs/dbraw/zinc/69/85/01/421698501.db2.gz TUJULPIJANMGBL-QGZVFWFLSA-N 0 3 319.405 1.934 20 5 DDBDHN C[C@@H](NC1CC1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000520578173 421756525 /nfs/dbraw/zinc/75/65/25/421756525.db2.gz XSNLUKSWYICQGY-SNVBAGLBSA-N 0 3 307.354 1.095 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000581926076 422069689 /nfs/dbraw/zinc/06/96/89/422069689.db2.gz FEBBAOXXOMHMCT-GXFFZTMASA-N 0 3 305.334 1.380 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000342474116 271428478 /nfs/dbraw/zinc/42/84/78/271428478.db2.gz NKYCPKNBIQTKAA-LKFCYVNXSA-N 0 3 307.325 1.946 20 5 DDBDHN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000111304208 273750246 /nfs/dbraw/zinc/75/02/46/273750246.db2.gz FHQXUTKHSJGNMY-JTQLQIEISA-N 0 3 301.368 1.227 20 5 DDBDHN CN(C)[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H]1O ZINC000292337736 273819758 /nfs/dbraw/zinc/81/97/58/273819758.db2.gz NMNHLWAVMRYMLA-UWVGGRQHSA-N 0 3 320.271 1.120 20 5 DDBDHN C[C@H]1CCN[C@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000423823639 279738872 /nfs/dbraw/zinc/73/88/72/279738872.db2.gz IMHGZNFIOKAFDE-HZMBPMFUSA-N 0 3 304.350 1.263 20 5 DDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CNCC[C@@H]1C ZINC000193398478 280259580 /nfs/dbraw/zinc/25/95/80/280259580.db2.gz PKMYYUQZIJFBRR-GXSJLCMTSA-N 0 3 313.379 1.180 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]([NH3+])C(C)C)c1C ZINC000440407106 281015715 /nfs/dbraw/zinc/01/57/15/281015715.db2.gz NEETYNYKTOBUJL-NSHDSACASA-N 0 3 315.395 1.473 20 5 DDBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000128404398 281310347 /nfs/dbraw/zinc/31/03/47/281310347.db2.gz VRVFGXSYFFRFQA-GFCCVEGCSA-N 0 3 323.397 1.569 20 5 DDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000356453731 298795270 /nfs/dbraw/zinc/79/52/70/298795270.db2.gz HVRRSTJHIWFMNS-LLVKDONJSA-N 0 3 307.354 1.029 20 5 DDBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@H](n3cncn3)C2)c1 ZINC000368412122 301022440 /nfs/dbraw/zinc/02/24/40/301022440.db2.gz RCNQNIBISWBXIF-ZDUSSCGKSA-N 0 3 303.322 1.512 20 5 DDBDHN COCC1(NCc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000530494369 303199172 /nfs/dbraw/zinc/19/91/72/303199172.db2.gz RFABXQNTHGLZMI-UHFFFAOYSA-N 0 3 324.333 1.415 20 5 DDBDHN COC(C)(C)CN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000531829407 303259787 /nfs/dbraw/zinc/25/97/87/303259787.db2.gz HIDDBKIFLGPWJN-CYBMUJFWSA-N 0 3 312.366 1.691 20 5 DDBDHN COc1cc(C[NH2+]C[C@@H](C)Cn2cccn2)c([N+](=O)[O-])cc1[O-] ZINC000548912131 303598520 /nfs/dbraw/zinc/59/85/20/303598520.db2.gz DWGSAFVSVXESED-LLVKDONJSA-N 0 3 320.349 1.931 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](c2ccco2)C1 ZINC000367142448 307087011 /nfs/dbraw/zinc/08/70/11/307087011.db2.gz WRUWXULKRUQLLF-GFCCVEGCSA-N 0 3 303.318 1.839 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)cc1F ZINC000367275838 307091265 /nfs/dbraw/zinc/09/12/65/307091265.db2.gz YSPQGEICEFKHTD-HOTGVXAUSA-N 0 3 323.368 1.765 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)C[C@H]21 ZINC000376662930 307252476 /nfs/dbraw/zinc/25/24/76/307252476.db2.gz DANQRIJTORCLAL-ZWNOBZJWSA-N 0 3 307.325 1.900 20 5 DDBDHN C[C@@H]1COCCN1CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566571512 308057781 /nfs/dbraw/zinc/05/77/81/308057781.db2.gz DJCNXRKWUOOYRW-DOMZBBRYSA-N 0 3 305.378 1.892 20 5 DDBDHN CC1(C)[C@H](O)C[C@@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000579975482 308571547 /nfs/dbraw/zinc/57/15/47/308571547.db2.gz UIMBLYCKSOVTDS-HZSPNIEDSA-N 0 3 319.361 1.449 20 5 DDBDHN CCCc1n[nH]c(C(=O)NC[C@H](C)N2CCCC2)c1[N+](=O)[O-] ZINC000518328499 325789980 /nfs/dbraw/zinc/78/99/80/325789980.db2.gz DWBQHLLPBHSPMP-JTQLQIEISA-N 0 3 309.370 1.485 20 5 DDBDHN O=C1C[C@@H](NC2CCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000584060893 331657808 /nfs/dbraw/zinc/65/78/08/331657808.db2.gz IZGPRXUVJRBDRF-CYBMUJFWSA-N 0 3 303.318 1.759 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595875161 490372386 /nfs/dbraw/zinc/37/23/86/490372386.db2.gz PWFBSUPWRHBQGQ-DVOMOZLQSA-N 0 3 324.377 1.285 20 5 DDBDHN COc1cc(CN[C@@H]2CCCC[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000445765504 533896102 /nfs/dbraw/zinc/89/61/02/533896102.db2.gz MAFUONCQOBJYKD-NWDGAFQWSA-N 0 3 307.350 1.737 20 5 DDBDHN Cc1c(C(=O)NC[C@H]2CCCN2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194732202 697719226 /nfs/dbraw/zinc/71/92/26/697719226.db2.gz CLNXPGZDNJNLDV-SNVBAGLBSA-N 0 3 322.321 1.635 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1N1CCC(N2CCN(C)CC2)CC1 ZINC000223468270 697761524 /nfs/dbraw/zinc/76/15/24/697761524.db2.gz DKYLCCMURVKSAA-UHFFFAOYSA-N 0 3 319.409 1.514 20 5 DDBDHN COC(=O)[C@@H](C)CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000246354040 698348313 /nfs/dbraw/zinc/34/83/13/698348313.db2.gz WOEMMHMHEKODFY-XHDPSFHLSA-N 0 3 322.361 1.902 20 5 DDBDHN CC(C)C(=O)N1CCC(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000989964497 698879358 /nfs/dbraw/zinc/87/93/58/698879358.db2.gz HCBSNLOFLJTQDJ-UHFFFAOYSA-N 0 3 309.370 1.065 20 5 DDBDHN CC1(C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)OCCO1 ZINC000760896397 700828446 /nfs/dbraw/zinc/82/84/46/700828446.db2.gz CQJCGIYIEBZDNS-UHFFFAOYSA-N 0 3 310.354 1.266 20 5 DDBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](CO)C2CC2)cccc1[N+](=O)[O-] ZINC000771814600 701332512 /nfs/dbraw/zinc/33/25/12/701332512.db2.gz ATGBZBUVSMMCTF-GWCFXTLKSA-N 0 3 307.350 1.591 20 5 DDBDHN CC[C@H]1CN(C)CCN1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000840092514 701964959 /nfs/dbraw/zinc/96/49/59/701964959.db2.gz WJGLVTXYVGKGIB-LBPRGKRZSA-N 0 3 318.381 1.631 20 5 DDBDHN CC(COC(=O)c1cc(Cl)c2c(c1)OCCO2)[N+](=O)[O-] ZINC000813105255 702293076 /nfs/dbraw/zinc/29/30/76/702293076.db2.gz XCKBKQNMSSMBEN-ZETCQYMHSA-N 0 3 301.682 1.933 20 5 DDBDHN Cc1ccc(C)n1-c1c(C(=O)OCC(C)[N+](=O)[O-])cnn1C ZINC000813112079 702297279 /nfs/dbraw/zinc/29/72/79/702297279.db2.gz NBOKJARBJMBPMR-NSHDSACASA-N 0 3 306.322 1.650 20 5 DDBDHN CC(COC(=O)CCN1C(=O)COc2ccccc21)[N+](=O)[O-] ZINC000813115475 702299058 /nfs/dbraw/zinc/29/90/58/702299058.db2.gz SWTFHSHFDDJXFO-JTQLQIEISA-N 0 3 308.290 1.011 20 5 DDBDHN CC([C@H](OC(=O)CCn1ccnn1)c1ccccc1F)[N+](=O)[O-] ZINC000845883739 703212361 /nfs/dbraw/zinc/21/23/61/703212361.db2.gz VLXUZQYNVWZUPT-HZMBPMFUSA-N 0 3 322.296 1.757 20 5 DDBDHN CN(CCN1CCCCC1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846612478 703303574 /nfs/dbraw/zinc/30/35/74/703303574.db2.gz VOGBHZOLEKMDMJ-HNNXBMFYSA-N 0 3 321.377 1.573 20 5 DDBDHN C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])N1CCCCC1 ZINC000847366119 703407872 /nfs/dbraw/zinc/40/78/72/703407872.db2.gz CLTSEBWBYRDQLK-SNVBAGLBSA-N 0 3 307.354 1.176 20 5 DDBDHN COC(=O)[C@H]1C[C@@H](N(C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852695836 704101546 /nfs/dbraw/zinc/10/15/46/704101546.db2.gz GYLQUSUNUYXAAK-KWCYVHTRSA-N 0 3 308.334 1.512 20 5 DDBDHN Cc1nn(C)c(C(=O)N2CCN(C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871152293 704231997 /nfs/dbraw/zinc/23/19/97/704231997.db2.gz AFGZONRWDVUQAV-UHFFFAOYSA-N 0 3 309.370 1.193 20 5 DDBDHN CN(CC1CN(C)C1)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000853553121 704266838 /nfs/dbraw/zinc/26/68/38/704266838.db2.gz BFBHZSAWLLSWKB-UHFFFAOYSA-N 0 3 315.377 1.909 20 5 DDBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000867307881 706954959 /nfs/dbraw/zinc/95/49/59/706954959.db2.gz DQPLNOAVOBHSPB-PSASIEDQSA-N 0 3 319.408 1.369 20 5 DDBDHN CNC(=O)c1ccc(N2CC[C@@H]3[C@@H]2CCCN3C)c([N+](=O)[O-])c1 ZINC000872781605 707597766 /nfs/dbraw/zinc/59/77/66/707597766.db2.gz VZKYNHHMICEPEL-OLZOCXBDSA-N 0 3 318.377 1.627 20 5 DDBDHN Cc1c(CN[C@@H](C)CCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000873078931 707721947 /nfs/dbraw/zinc/72/19/47/707721947.db2.gz UPTWWVYKEDJVLP-JTQLQIEISA-N 0 3 300.380 1.816 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(c3ccncc3CO)CC2)cc1 ZINC000891449945 710205040 /nfs/dbraw/zinc/20/50/40/710205040.db2.gz DKASEHKJDQDHCX-UHFFFAOYSA-N 0 3 314.345 1.809 20 5 DDBDHN CC(C)OCCN1CCC(Nc2c([N+](=O)[O-])cnn2C)CC1 ZINC000892781615 710497581 /nfs/dbraw/zinc/49/75/81/710497581.db2.gz BUYUGVYABFYUHR-UHFFFAOYSA-N 0 3 311.386 1.630 20 5 DDBDHN O=[N+]([O-])c1ccn(C2CCN(c3ccncc3CO)CC2)n1 ZINC000893546090 710699809 /nfs/dbraw/zinc/69/98/09/710699809.db2.gz PIJXAZXSYXRUBC-UHFFFAOYSA-N 0 3 303.322 1.520 20 5 DDBDHN C[C@H]1[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000928452782 713203667 /nfs/dbraw/zinc/20/36/67/713203667.db2.gz JKDBAAREQHFQDM-GXFFZTMASA-N 0 3 309.391 1.896 20 5 DDBDHN C[C@@H]1[C@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CCN1C ZINC000895735271 711590479 /nfs/dbraw/zinc/59/04/79/711590479.db2.gz CBRDJOPBCDHFMI-RNFRBKRXSA-N 0 3 307.276 1.852 20 5 DDBDHN C[C@@H]1[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCN1C ZINC000895737535 711590877 /nfs/dbraw/zinc/59/08/77/711590877.db2.gz AZFLAUXCEGRXHF-ZWNOBZJWSA-N 0 3 318.377 1.992 20 5 DDBDHN C[C@H]1[C@@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCN1C ZINC000895739554 711591650 /nfs/dbraw/zinc/59/16/50/711591650.db2.gz GWAMZUUMLUEGIS-IUCAKERBSA-N 0 3 306.322 1.430 20 5 DDBDHN CN1CCN(CCOc2ccc(NCC[N+](=O)[O-])cc2)CC1 ZINC000905331533 712004710 /nfs/dbraw/zinc/00/47/10/712004710.db2.gz XSWDXSJXFAJEME-UHFFFAOYSA-N 0 3 308.382 1.001 20 5 DDBDHN C[C@@H](CN1C(=O)N[C@H](CN(C)C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000928999992 713522813 /nfs/dbraw/zinc/52/28/13/713522813.db2.gz AFGVDBPSUDNFHG-CMPLNLGQSA-N 0 3 320.349 1.180 20 5 DDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C1(O)CCCC1 ZINC000930353759 713811918 /nfs/dbraw/zinc/81/19/18/713811918.db2.gz NGXQTUFBEMNYCH-HNNXBMFYSA-N 0 3 308.378 1.735 20 5 DDBDHN C[C@@H](NC[C@H](O)COC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000932178958 714279826 /nfs/dbraw/zinc/27/98/26/714279826.db2.gz COHKRLRGUDJPNG-DOMZBBRYSA-N 0 3 324.377 1.802 20 5 DDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923264706 714289160 /nfs/dbraw/zinc/28/91/60/714289160.db2.gz MFRKESDBCRHWAF-NWANDNLSSA-N 0 3 319.361 1.323 20 5 DDBDHN CCO[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000932979085 714448330 /nfs/dbraw/zinc/44/83/30/714448330.db2.gz FSEYOOSRCGHGRP-ZFWWWQNUSA-N 0 3 310.350 1.445 20 5 DDBDHN Cc1c[nH]c(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)n1 ZINC001167957486 740081941 /nfs/dbraw/zinc/08/19/41/740081941.db2.gz XFLGMVYCYSHXFQ-UHFFFAOYSA-N 0 3 323.378 1.598 20 5 DDBDHN CCN(CC)CC(=O)NCCCN(C)c1ccccc1[N+](=O)[O-] ZINC001095567329 750045558 /nfs/dbraw/zinc/04/55/58/750045558.db2.gz YTSJTKWOYPSHEV-UHFFFAOYSA-N 0 3 322.409 1.879 20 5 DDBDHN CC(C)(C)OC(=O)c1ccc(-n2nncc2CN)cc1[N+](=O)[O-] ZINC001169309651 762357291 /nfs/dbraw/zinc/35/72/91/762357291.db2.gz HLGJYTRUGLJLBM-UHFFFAOYSA-N 0 3 319.321 1.590 20 5 DDBDHN CCCN(C)CC(=O)N(C)CCNc1ncccc1[N+](=O)[O-] ZINC001101704642 777413373 /nfs/dbraw/zinc/41/33/73/777413373.db2.gz UJRIVPCPGSWELR-UHFFFAOYSA-N 0 3 309.370 1.202 20 5 DDBDHN Cc1c(C(=O)N2CC(N[C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC001179008681 779259775 /nfs/dbraw/zinc/25/97/75/779259775.db2.gz PXOSMIQDWRQVEF-LLVKDONJSA-N 0 3 305.334 1.106 20 5 DDBDHN CC(C)N(C)CC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001152440093 863345195 /nfs/dbraw/zinc/34/51/95/863345195.db2.gz YGOMTTNSCYFFEM-UHFFFAOYSA-N 0 3 314.411 1.202 20 5 DDBDHN Cn1nccc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001155474104 862130434 /nfs/dbraw/zinc/13/04/34/862130434.db2.gz NLSZGQSCQVDENB-UHFFFAOYSA-N 0 3 323.378 1.300 20 5 DDBDHN Cc1ncc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)[nH]1 ZINC001155768360 862439590 /nfs/dbraw/zinc/43/95/90/862439590.db2.gz ZOJCCWRIKOHZMK-UHFFFAOYSA-N 0 3 323.378 1.598 20 5 DDBDHN CNc1ccc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC001141196752 860807324 /nfs/dbraw/zinc/80/73/24/860807324.db2.gz LSULSESLIOACHR-RISCZKNCSA-N 0 3 304.350 1.413 20 5 DDBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1cncnc1 ZINC001156981782 863497477 /nfs/dbraw/zinc/49/74/77/863497477.db2.gz MJJIVWICIDMGLK-UHFFFAOYSA-N 0 3 321.362 1.356 20 5 DDBDHN Cc1c[nH]nc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001157669848 864034296 /nfs/dbraw/zinc/03/42/96/864034296.db2.gz HEPGXSSOGOYMAZ-UHFFFAOYSA-N 0 3 317.349 1.536 20 5 DDBDHN O=C1CCCCN1CCNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001161941419 867123428 /nfs/dbraw/zinc/12/34/28/867123428.db2.gz UBJYHWSOVAMHCA-UHFFFAOYSA-N 0 3 304.350 1.622 20 5 DDBDHN CCOC(=O)c1cnc(-n2nc(CN)cc2C)c([N+](=O)[O-])c1 ZINC001163978005 868841398 /nfs/dbraw/zinc/84/13/98/868841398.db2.gz NNEUUGRYKFTILI-UHFFFAOYSA-N 0 3 305.294 1.119 20 5 DDBDHN Cc1cc(CN)nn1-c1cc([N+](=O)[O-])cc(Br)n1 ZINC001163985578 868847574 /nfs/dbraw/zinc/84/75/74/868847574.db2.gz WUPZKDZLEZPBEO-UHFFFAOYSA-N 0 3 312.127 1.705 20 5 DDBDHN CN(C)/C=C/c1cc(N2CC(C)(N(C)C)C2)ncc1[N+](=O)[O-] ZINC001165121546 869388834 /nfs/dbraw/zinc/38/88/34/869388834.db2.gz UVVMDJQYHGWICZ-VOTSOKGWSA-N 0 3 305.382 1.662 20 5 DDBDHN COC(=O)Cc1ccc(N[C@@H]2CN3CCC2CC3)c([N+](=O)[O-])c1 ZINC001338047627 869765376 /nfs/dbraw/zinc/76/53/76/869765376.db2.gz DSNASBYPKZYHGC-CQSZACIVSA-N 0 3 319.361 1.816 20 5 DDBDHN COc1ccc(C(=O)NC[C@@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC001338295402 869909950 /nfs/dbraw/zinc/90/99/50/869909950.db2.gz RQQJKVGVHCVURI-LBPRGKRZSA-N 0 3 307.350 1.818 20 5 DDBDHN CC[C@@H]1CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C[C@H](C)N1 ZINC001301432213 870991111 /nfs/dbraw/zinc/99/11/11/870991111.db2.gz VARAKCPLJKJKKX-NKWVEPMBSA-N 0 3 301.734 1.184 20 5 DDBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001341027332 871473055 /nfs/dbraw/zinc/47/30/55/871473055.db2.gz HTSJEZOJTFEXRF-AGIUHOORSA-N 0 3 320.393 1.628 20 5 DDBDHN Cc1conc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001319351738 872593996 /nfs/dbraw/zinc/59/39/96/872593996.db2.gz MZWXWDLYLJUJCF-DGCLKSJQSA-N 0 3 322.365 1.167 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC001216480420 876955991 /nfs/dbraw/zinc/95/59/91/876955991.db2.gz OOXXHZJHZFUMOH-PWSUYJOCSA-N 0 3 319.365 1.324 20 5 DDBDHN COc1c([O-])ccc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001355320573 878498037 /nfs/dbraw/zinc/49/80/37/878498037.db2.gz CEALFXWNBPDUBD-CMPLNLGQSA-N 0 3 307.350 1.445 20 5 DDBDHN COc1c([O-])ccc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001355320573 878498042 /nfs/dbraw/zinc/49/80/42/878498042.db2.gz CEALFXWNBPDUBD-CMPLNLGQSA-N 0 3 307.350 1.445 20 5 DDBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2N[C@@H]3CC[C@H]2C3)n1 ZINC001249211960 893872441 /nfs/dbraw/zinc/87/24/41/893872441.db2.gz BRPRGPZXLFSUEW-IONOHQLYSA-N 0 3 305.269 1.992 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCOCC2)C1 ZINC001254562874 896502488 /nfs/dbraw/zinc/50/24/88/896502488.db2.gz QKPRWMRYZQAKBV-GOEBONIOSA-N 0 3 319.405 1.932 20 5 DDBDHN CCN1C[C@H](C)N(c2nnc(C[N+](=O)[O-])n2CC2CC2)C[C@@H]1C ZINC001263676063 900668119 /nfs/dbraw/zinc/66/81/19/900668119.db2.gz FYMXXAPGPJEQQC-RYUDHWBXSA-N 0 3 322.413 1.384 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)n1 ZINC000248676004 282098924 /nfs/dbraw/zinc/09/89/24/282098924.db2.gz TWCQAYSQYPHLMQ-WDEREUQCSA-N 0 3 309.370 1.366 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](CCCO)C1 ZINC000452126069 231313191 /nfs/dbraw/zinc/31/31/91/231313191.db2.gz TZIQTMRWBLGYAA-ZIAGYGMSSA-N 0 3 324.377 1.429 20 5 DDBDHN CN1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000292352948 529801472 /nfs/dbraw/zinc/80/14/72/529801472.db2.gz VOFNPVNQVFLDJQ-OAHLLOKOSA-N 0 3 307.325 1.902 20 5 DDBDHN CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000181644473 199332138 /nfs/dbraw/zinc/33/21/38/199332138.db2.gz MKFVNZSTJWOKKL-KBPBESRZSA-N 0 3 324.377 1.835 20 5 DDBDHN COc1cc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272655475 282318068 /nfs/dbraw/zinc/31/80/68/282318068.db2.gz QOENHQLPGOEZRN-SMDDNHRTSA-N 0 3 319.361 1.770 20 5 DDBDHN CC(C)(CO)[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000293000290 282360731 /nfs/dbraw/zinc/36/07/31/282360731.db2.gz IYQQWCVHHOXAFF-CQSZACIVSA-N 0 3 321.377 1.580 20 5 DDBDHN COC(=O)c1cc(C)nc(N(C)CCN2CCCC2)c1[N+](=O)[O-] ZINC000342082712 282536780 /nfs/dbraw/zinc/53/67/80/282536780.db2.gz YESYJBZHDVTAEU-UHFFFAOYSA-N 0 3 322.365 1.617 20 5 DDBDHN Cc1cnccc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564874069 304022106 /nfs/dbraw/zinc/02/21/06/304022106.db2.gz YCOPYWZNBSSLHG-AWEZNQCLSA-N 0 3 317.345 1.828 20 5 DDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCN(C2CCCC2)CC1 ZINC000172423045 198094949 /nfs/dbraw/zinc/09/49/49/198094949.db2.gz LTBUHBBRWORPFL-UHFFFAOYSA-N 0 3 321.381 1.268 20 5 DDBDHN C[C@@H](CN1CCCCC1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000027745085 352222832 /nfs/dbraw/zinc/22/28/32/352222832.db2.gz NZGOZISYVXKMRG-ZDUSSCGKSA-N 0 3 321.377 1.964 20 5 DDBDHN COC(=O)c1cc(C(=O)NCCN2CCCC2)cc([N+](=O)[O-])c1 ZINC000072634323 191206682 /nfs/dbraw/zinc/20/66/82/191206682.db2.gz UWQHLJWOONNALM-UHFFFAOYSA-N 0 3 321.333 1.207 20 5 DDBDHN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)Cc1ccccc1 ZINC000054462383 352693284 /nfs/dbraw/zinc/69/32/84/352693284.db2.gz IKVJLPVINPUSDB-ZDUSSCGKSA-N 0 3 316.361 1.826 20 5 DDBDHN CC1CCN(CCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173097933 198184617 /nfs/dbraw/zinc/18/46/17/198184617.db2.gz HQEPPUIWFPJDQS-UHFFFAOYSA-N 0 3 305.378 1.985 20 5 DDBDHN CC[NH2+]CCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000564958083 304030146 /nfs/dbraw/zinc/03/01/46/304030146.db2.gz IPKLTCKWKNHTPK-UHFFFAOYSA-N 0 3 315.395 1.490 20 5 DDBDHN CN(C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)Cc1ccccc1 ZINC000076460889 353421986 /nfs/dbraw/zinc/42/19/86/353421986.db2.gz NULPPDFHKTYSRL-LBPRGKRZSA-N 0 3 316.365 1.552 20 5 DDBDHN Nc1ccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000076694570 353433632 /nfs/dbraw/zinc/43/36/32/353433632.db2.gz UQAVYSGECGZBKN-CYBMUJFWSA-N 0 3 318.377 1.877 20 5 DDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000108307433 353950838 /nfs/dbraw/zinc/95/08/38/353950838.db2.gz SMJUTGSIRMKRPW-NSHDSACASA-N 0 3 307.325 1.948 20 5 DDBDHN O=[N+]([O-])c1cccc(OCCN2CCC(OCCCO)CC2)c1 ZINC000154914382 354209598 /nfs/dbraw/zinc/20/95/98/354209598.db2.gz SCPLTNBHZQBDPG-UHFFFAOYSA-N 0 3 324.377 1.837 20 5 DDBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H](C)C1 ZINC000346178544 283014248 /nfs/dbraw/zinc/01/42/48/283014248.db2.gz LLZLRWIMXJCWIV-TUAOUCFPSA-N 0 3 321.381 1.131 20 5 DDBDHN COc1ccc(C(=O)N[C@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000401739995 354666334 /nfs/dbraw/zinc/66/63/34/354666334.db2.gz FXZMNSHQNBMLJG-SECBINFHSA-N 0 3 307.228 1.223 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@]1(C)CCO[C@H]1C ZINC000494226099 235008600 /nfs/dbraw/zinc/00/86/00/235008600.db2.gz FOVWWFZEIGOMDJ-NHYWBVRUSA-N 0 3 307.350 1.999 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CO)CN1CCCC1 ZINC000588868904 354945352 /nfs/dbraw/zinc/94/53/52/354945352.db2.gz IDFQQFKRXPDUNM-GFCCVEGCSA-N 0 3 307.350 1.090 20 5 DDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1COCCOC1 ZINC000589949703 355034567 /nfs/dbraw/zinc/03/45/67/355034567.db2.gz IUKYDKIXYKERFU-NSHDSACASA-N 0 3 323.349 1.317 20 5 DDBDHN COc1ccc(OCCN2CC[C@H]3CN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000590010311 355038873 /nfs/dbraw/zinc/03/88/73/355038873.db2.gz AUZNHXZRCRARHM-WFASDCNBSA-N 0 3 321.377 1.618 20 5 DDBDHN Cc1c(Br)c(=O)n(C[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000358843498 291052400 /nfs/dbraw/zinc/05/24/00/291052400.db2.gz UPPCFDXOKUGGBQ-SSDOTTSWSA-N 0 3 318.171 1.778 20 5 DDBDHN COc1c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590447661 355099834 /nfs/dbraw/zinc/09/98/34/355099834.db2.gz ZRENJKZSRAHWEG-MFKMUULPSA-N 0 3 305.334 1.380 20 5 DDBDHN Cc1n[nH]cc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591724892 355371667 /nfs/dbraw/zinc/37/16/67/355371667.db2.gz NBOHNOWXXMVVOB-ZDUSSCGKSA-N 0 3 306.322 1.156 20 5 DDBDHN Cc1nn(CCC(=O)Nc2cccc(CN)c2)c(C)c1[N+](=O)[O-] ZINC000592284985 355552206 /nfs/dbraw/zinc/55/22/06/355552206.db2.gz NDFNKKQSPXREMC-UHFFFAOYSA-N 0 3 317.349 1.896 20 5 DDBDHN CC(C)(CNCc1csc([N+](=O)[O-])c1)[C@]1(O)CCOC1 ZINC000592375031 355569174 /nfs/dbraw/zinc/56/91/74/355569174.db2.gz PDXQICSCNNSOKD-ZDUSSCGKSA-N 0 3 300.380 1.924 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCC(F)(F)F)c1 ZINC000579344039 422749388 /nfs/dbraw/zinc/74/93/88/422749388.db2.gz RGWHSSBQWMVERA-JTQLQIEISA-N 0 3 308.256 1.877 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCCN(CCO)CC1 ZINC000593460942 355892523 /nfs/dbraw/zinc/89/25/23/355892523.db2.gz LJIOFROWEULRSK-UHFFFAOYSA-N 0 3 316.361 1.647 20 5 DDBDHN O=c1[nH]ccc2c1CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000276961387 213204329 /nfs/dbraw/zinc/20/43/29/213204329.db2.gz PZAIOZWXQXMZAQ-HNNXBMFYSA-N 0 3 315.329 1.787 20 5 DDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594198113 356137492 /nfs/dbraw/zinc/13/74/92/356137492.db2.gz CXFPOGWXZNSHNF-ZIAGYGMSSA-N 0 3 321.381 1.315 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594200383 356138218 /nfs/dbraw/zinc/13/82/18/356138218.db2.gz LRQWSSHZPJDCFR-CHWSQXEVSA-N 0 3 306.366 1.680 20 5 DDBDHN C[C@@H](N[C@@H]1CCc2c(nnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594522377 356241750 /nfs/dbraw/zinc/24/17/50/356241750.db2.gz QNQZKFBIAZAKRJ-ZYHUDNBSSA-N 0 3 301.350 1.931 20 5 DDBDHN COc1ccc(CNC[C@@H](OC)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000594950082 356362867 /nfs/dbraw/zinc/36/28/67/356362867.db2.gz HNVJAZSGZVRAMZ-SWLSCSKDSA-N 0 3 310.350 1.745 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCN1CCOCC1 ZINC000595006066 356371602 /nfs/dbraw/zinc/37/16/02/356371602.db2.gz GWKVTHYKSVLSPC-ZDUSSCGKSA-N 0 3 323.393 1.976 20 5 DDBDHN Cc1c(CN)c(NC(=O)COc2cccc([N+](=O)[O-])c2)nn1C ZINC000595959127 356723887 /nfs/dbraw/zinc/72/38/87/356723887.db2.gz BHQKWKLQYSZDRI-UHFFFAOYSA-N 0 3 319.321 1.113 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CCN(C)C2)C1 ZINC000597713681 357297897 /nfs/dbraw/zinc/29/78/97/357297897.db2.gz FOKQDVSBFNBCEX-INIZCTEOSA-N 0 3 318.377 1.856 20 5 DDBDHN CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCN(C)C1 ZINC000597947459 357395666 /nfs/dbraw/zinc/39/56/66/357395666.db2.gz YTZKHVSLENYDBE-LLVKDONJSA-N 0 3 317.349 1.637 20 5 DDBDHN C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)N1CCC(C)CC1 ZINC000067270109 295946698 /nfs/dbraw/zinc/94/66/98/295946698.db2.gz SYQGREKPCYAPHJ-LBPRGKRZSA-N 0 3 309.370 1.028 20 5 DDBDHN CC(C)[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCN1 ZINC000598574126 357636697 /nfs/dbraw/zinc/63/66/97/357636697.db2.gz KHYLKFSZTXCVJK-NSHDSACASA-N 0 3 321.333 1.394 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1COCCN1C ZINC000599081672 357808893 /nfs/dbraw/zinc/80/88/93/357808893.db2.gz UFEMJGUYRREWOU-AAEUAGOBSA-N 0 3 309.366 1.585 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N2CC(CN3CCN(C)CC3)C2)c1 ZINC000599109605 357818366 /nfs/dbraw/zinc/81/83/66/357818366.db2.gz VGBUOGFVUHQCSG-UHFFFAOYSA-N 0 3 304.394 1.587 20 5 DDBDHN COC(=O)CCCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000599325623 357895131 /nfs/dbraw/zinc/89/51/31/357895131.db2.gz HXQXQTYZYXMGSU-LBPRGKRZSA-N 0 3 322.365 1.819 20 5 DDBDHN COCCNCCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000237281597 202216054 /nfs/dbraw/zinc/21/60/54/202216054.db2.gz PZWZPQKXQJTSSE-UHFFFAOYSA-N 0 3 313.379 1.039 20 5 DDBDHN O=[N+]([O-])c1ccc2nccc(NCCN3CC[C@@H](O)C3)c2c1 ZINC000601203803 358446542 /nfs/dbraw/zinc/44/65/42/358446542.db2.gz VNQLBDYOQDZOTL-GFCCVEGCSA-N 0 3 302.334 1.043 20 5 DDBDHN CCN1CCN(CCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601164417 358429039 /nfs/dbraw/zinc/42/90/39/358429039.db2.gz UCHYDPWMKDQXKT-UHFFFAOYSA-N 0 3 324.356 1.101 20 5 DDBDHN N[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[C@H]1F ZINC000602537114 359033698 /nfs/dbraw/zinc/03/36/98/359033698.db2.gz ZGIMJJZSHQBVFG-ZIAGYGMSSA-N 0 3 321.352 1.914 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000602795886 359198240 /nfs/dbraw/zinc/19/82/40/359198240.db2.gz BYAGAKDJUMSECD-STQMWFEESA-N 0 3 321.381 1.090 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](CO)c1ccc(F)cc1 ZINC000602804826 359202901 /nfs/dbraw/zinc/20/29/01/359202901.db2.gz GSHPAJVKUWNPRS-ZDUSSCGKSA-N 0 3 308.313 1.562 20 5 DDBDHN C[C@H](N[C@H](CC(N)=O)C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000348279101 283447866 /nfs/dbraw/zinc/44/78/66/283447866.db2.gz OJMNHGMZKROUJL-SMDDNHRTSA-N 0 3 321.377 1.916 20 5 DDBDHN CNC(=O)c1ccc(NC[C@@H]2CSCCN2)c([N+](=O)[O-])c1 ZINC000603418227 359628333 /nfs/dbraw/zinc/62/83/33/359628333.db2.gz DPYOESAPKJCWIX-SNVBAGLBSA-N 0 3 310.379 1.071 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](CCO)C2)c1 ZINC000609204398 360273959 /nfs/dbraw/zinc/27/39/59/360273959.db2.gz MUQXDZKGYRNRMX-DZGCQCFKSA-N 0 3 324.377 1.429 20 5 DDBDHN CN1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609470713 360311919 /nfs/dbraw/zinc/31/19/19/360311919.db2.gz LKVDJNZKNAJGGA-UHFFFAOYSA-N 0 3 322.365 1.321 20 5 DDBDHN CC[C@@H](CN1CCCC1)NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000609877698 360359253 /nfs/dbraw/zinc/35/92/53/360359253.db2.gz PDTQQGNYMDHMAF-NSHDSACASA-N 0 3 309.370 1.241 20 5 DDBDHN O=[N+]([O-])c1ncccc1N1CCCN(C[C@H]2CCCO2)CC1 ZINC000610489145 360449423 /nfs/dbraw/zinc/44/94/23/360449423.db2.gz HKTBIYKBDXYICG-CYBMUJFWSA-N 0 3 306.366 1.681 20 5 DDBDHN CN(C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)cn1 ZINC000610771787 360534239 /nfs/dbraw/zinc/53/42/39/360534239.db2.gz ZAIXJVZRCGVSQI-UHFFFAOYSA-N 0 3 304.310 1.000 20 5 DDBDHN Nc1cc(N2CCN(C3CCCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000611525128 360747139 /nfs/dbraw/zinc/74/71/39/360747139.db2.gz FHTFPOQNNVOKEQ-UHFFFAOYSA-N 0 3 320.393 1.734 20 5 DDBDHN Cc1cc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)ccc1[N+](=O)[O-] ZINC000618923046 363802195 /nfs/dbraw/zinc/80/21/95/363802195.db2.gz BPZWPULPUCGVTG-MRXNPFEDSA-N 0 3 321.377 1.432 20 5 DDBDHN CN(C)C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000275420219 212322789 /nfs/dbraw/zinc/32/27/89/212322789.db2.gz CNCQGCSBAWVPSQ-UHFFFAOYSA-N 0 3 313.379 1.357 20 5 DDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)N1CCCC[C@@H]1C ZINC000350014789 284132276 /nfs/dbraw/zinc/13/22/76/284132276.db2.gz QMUXUGYLPUOYTD-QWRGUYRKSA-N 0 3 321.381 1.565 20 5 DDBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCC1 ZINC000282690488 217179489 /nfs/dbraw/zinc/17/94/89/217179489.db2.gz AGBJUAWGOOIXRH-UHFFFAOYSA-N 0 3 310.329 1.530 20 5 DDBDHN CC(C)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000160006337 197379736 /nfs/dbraw/zinc/37/97/36/197379736.db2.gz XWVMXXSAOFAONE-GFCCVEGCSA-N 0 3 323.397 1.804 20 5 DDBDHN CN(C)[C@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000173015395 248327583 /nfs/dbraw/zinc/32/75/83/248327583.db2.gz OPOJNDJWCWFZAI-ZDUSSCGKSA-N 0 3 320.393 1.584 20 5 DDBDHN COc1ccc(CNC[C@@H]2CN(C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000106470079 194218589 /nfs/dbraw/zinc/21/85/89/194218589.db2.gz FVXRIDJRRDJBIX-CQSZACIVSA-N 0 3 321.377 1.556 20 5 DDBDHN CCCc1n[nH]c(C(=O)N(C)CCN2CCCC2)c1[N+](=O)[O-] ZINC000109627517 194278912 /nfs/dbraw/zinc/27/89/12/194278912.db2.gz YLDUAAHRKUODQO-UHFFFAOYSA-N 0 3 309.370 1.438 20 5 DDBDHN CCCc1[nH]nc(C(=O)N(C)CCN2CCCC2)c1[N+](=O)[O-] ZINC000109627517 194278915 /nfs/dbraw/zinc/27/89/15/194278915.db2.gz YLDUAAHRKUODQO-UHFFFAOYSA-N 0 3 309.370 1.438 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000110609637 194342742 /nfs/dbraw/zinc/34/27/42/194342742.db2.gz KWJLLDGALFWUMG-LBPRGKRZSA-N 0 3 306.366 1.607 20 5 DDBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC(=O)N(C)C1 ZINC000268884482 207055450 /nfs/dbraw/zinc/05/54/50/207055450.db2.gz WUAPHLDNJQFLGR-JQWIXIFHSA-N 0 3 320.349 1.132 20 5 DDBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000110997424 194379932 /nfs/dbraw/zinc/37/99/32/194379932.db2.gz DROLEYLIEPHDLP-GFCCVEGCSA-N 0 3 306.366 1.902 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000352590971 285161573 /nfs/dbraw/zinc/16/15/73/285161573.db2.gz PPLSADPEGVGDJS-IINYFYTJSA-N 0 3 307.325 1.900 20 5 DDBDHN Cc1cc(NC[C@]2(C)CCC(=O)N2)c2cc([N+](=O)[O-])ccc2n1 ZINC000413332816 224179210 /nfs/dbraw/zinc/17/92/10/224179210.db2.gz COSKIXUVAYRWFV-INIZCTEOSA-N 0 3 314.345 1.954 20 5 DDBDHN C[C@H]1CSC[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000352814415 285318210 /nfs/dbraw/zinc/31/82/10/285318210.db2.gz GERDHOXYLIHQBJ-GWCFXTLKSA-N 0 3 321.402 1.825 20 5 DDBDHN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](CO)CN1CCCCC1 ZINC000352868525 285347662 /nfs/dbraw/zinc/34/76/62/285347662.db2.gz SRTHPUAVZPQRSP-CQSZACIVSA-N 0 3 321.377 1.100 20 5 DDBDHN CC(C)[C@@](C)(CO)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000352909464 285380685 /nfs/dbraw/zinc/38/06/85/285380685.db2.gz JAFCVRQYGCMSNJ-MRXNPFEDSA-N 0 3 321.377 1.481 20 5 DDBDHN COc1cccc(C(=O)N(C)CCN2CCCC2)c1[N+](=O)[O-] ZINC000444081725 533392683 /nfs/dbraw/zinc/39/26/83/533392683.db2.gz LNALAIWGDLAQMW-UHFFFAOYSA-N 0 3 307.350 1.771 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1CCCCCC1 ZINC000068425013 406640221 /nfs/dbraw/zinc/64/02/21/406640221.db2.gz INYMADCABQKCGF-UHFFFAOYSA-N 0 3 309.370 1.092 20 5 DDBDHN Cc1ccc([C@@H](C)NC[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000038083107 406999628 /nfs/dbraw/zinc/99/96/28/406999628.db2.gz PDSYHIRHRBFOFO-NEPJUHHUSA-N 0 3 312.391 1.989 20 5 DDBDHN NC(=O)CC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000048024592 407086488 /nfs/dbraw/zinc/08/64/88/407086488.db2.gz NAHDGYZWFSBPFM-UHFFFAOYSA-N 0 3 307.350 1.561 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(C)C2CCN(C)CC2)c1 ZINC000067777842 407284696 /nfs/dbraw/zinc/28/46/96/407284696.db2.gz TYPCDJSYBNMCMB-UHFFFAOYSA-N 0 3 307.350 1.770 20 5 DDBDHN CCN1CCN([C@H]2CCN(Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000107370055 407373550 /nfs/dbraw/zinc/37/35/50/407373550.db2.gz DHGJECQWDHSAGS-INIZCTEOSA-N 0 3 318.421 1.807 20 5 DDBDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000113225731 407476514 /nfs/dbraw/zinc/47/65/14/407476514.db2.gz ZJLFGGFCYWXNAQ-VXGBXAGGSA-N 0 3 321.381 1.222 20 5 DDBDHN Cn1ccnc1[C@@H]1CNCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000261689183 407581923 /nfs/dbraw/zinc/58/19/23/407581923.db2.gz DXWTWMHPMNPJFK-AWEZNQCLSA-N 0 3 301.350 1.475 20 5 DDBDHN CN(C)[C@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000170833359 407524922 /nfs/dbraw/zinc/52/49/22/407524922.db2.gz CIBHVYQBROWGJF-AWEZNQCLSA-N 0 3 306.366 1.483 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN(CCO)[C@@H]2CCc3ccccc32)c1 ZINC000266926082 407677223 /nfs/dbraw/zinc/67/72/23/407677223.db2.gz KJMQTILYMGDDQX-MRXNPFEDSA-N 0 3 316.361 1.773 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCSC3(CCOCC3)C2)n1 ZINC000186847615 407785953 /nfs/dbraw/zinc/78/59/53/407785953.db2.gz QPUDJHNAASNBJU-UHFFFAOYSA-N 0 3 312.395 1.389 20 5 DDBDHN C[C@@H](NCC1(C(N)=O)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000153202665 407777215 /nfs/dbraw/zinc/77/72/15/407777215.db2.gz FQVUTIMMMLKRAM-LLVKDONJSA-N 0 3 307.350 1.528 20 5 DDBDHN CC(C)(C)C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000116922424 407797066 /nfs/dbraw/zinc/79/70/66/407797066.db2.gz XBZFBQGBQHWFBN-UHFFFAOYSA-N 0 3 315.395 1.509 20 5 DDBDHN CCN(CC)CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000118095537 407888589 /nfs/dbraw/zinc/88/85/89/407888589.db2.gz GORSVQOBSOKVFV-UHFFFAOYSA-N 0 3 322.365 1.300 20 5 DDBDHN CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000153982323 407945563 /nfs/dbraw/zinc/94/55/63/407945563.db2.gz FXAGPSIPIHCXKA-LBPRGKRZSA-N 0 3 307.350 1.526 20 5 DDBDHN CCN1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000118826117 407951182 /nfs/dbraw/zinc/95/11/82/407951182.db2.gz VMTNRSWCFRQCPO-UHFFFAOYSA-N 0 3 306.366 1.221 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268261563 407975725 /nfs/dbraw/zinc/97/57/25/407975725.db2.gz ZJLIJBMCKPXAKK-KCJUWKMLSA-N 0 3 307.354 1.093 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000268151147 407917919 /nfs/dbraw/zinc/91/79/19/407917919.db2.gz UQUPASLZXMTSEW-IAQYHMDHSA-N 0 3 318.377 1.877 20 5 DDBDHN CN1CCC[C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135541319 408026925 /nfs/dbraw/zinc/02/69/25/408026925.db2.gz XZWAFRJLCNNKKW-WCQYABFASA-N 0 3 319.365 1.097 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](CO)c1ccc(F)cc1 ZINC000273079819 408047263 /nfs/dbraw/zinc/04/72/63/408047263.db2.gz HEZGILSZBFQWAM-CQSZACIVSA-N 0 3 321.308 1.219 20 5 DDBDHN CC1CCC(N2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000174865159 407996793 /nfs/dbraw/zinc/99/67/93/407996793.db2.gz DZIQVWYCUYUMDK-UHFFFAOYSA-N 0 3 321.425 1.988 20 5 DDBDHN C[C@]1(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000273089675 408054365 /nfs/dbraw/zinc/05/43/65/408054365.db2.gz SGROLSBFJMCHEM-ZBFHGGJFSA-N 0 3 319.361 1.741 20 5 DDBDHN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CCN1C[C@@H](C)O ZINC000150767499 408194528 /nfs/dbraw/zinc/19/45/28/408194528.db2.gz LCRLUWVUTSKYIN-DGCLKSJQSA-N 0 3 308.382 1.580 20 5 DDBDHN CCN1CCN(CCCNc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000121276658 408176743 /nfs/dbraw/zinc/17/67/43/408176743.db2.gz LQCOJMASOLJZSS-UHFFFAOYSA-N 0 3 307.398 1.738 20 5 DDBDHN C[NH2+]C[C@@H](C)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000133217125 162054391 /nfs/dbraw/zinc/05/43/91/162054391.db2.gz IUPPVALKOHTEEF-SECBINFHSA-N 0 3 315.395 1.345 20 5 DDBDHN COc1ccc(OCCN2CCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000173495164 162343036 /nfs/dbraw/zinc/34/30/36/162343036.db2.gz FTUSMSKCRPNSEQ-LBPRGKRZSA-N 0 3 310.350 1.687 20 5 DDBDHN COc1ccc(CN(CCO)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000264351555 408456671 /nfs/dbraw/zinc/45/66/71/408456671.db2.gz HDXYNLVJJDAZQP-UHFFFAOYSA-N 0 3 323.393 1.492 20 5 DDBDHN CCN(CCO)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000274495252 408428364 /nfs/dbraw/zinc/42/83/64/408428364.db2.gz CTNXHYVFYTWVNT-UHFFFAOYSA-N 0 3 323.393 1.303 20 5 DDBDHN COCCN1CC[C@@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000264429797 408486673 /nfs/dbraw/zinc/48/66/73/408486673.db2.gz ALRYNXZWEOXSGJ-PSKZRQQASA-N 0 3 319.361 1.445 20 5 DDBDHN Cc1cccc(C(=O)NCC2CCN(CCO)CC2)c1[N+](=O)[O-] ZINC000160549996 408495438 /nfs/dbraw/zinc/49/54/38/408495438.db2.gz WVOMSLXMBWGTMK-UHFFFAOYSA-N 0 3 321.377 1.337 20 5 DDBDHN CS[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270519339 408560093 /nfs/dbraw/zinc/56/00/93/408560093.db2.gz SKHSNTASQLANEE-KBPBESRZSA-N 0 3 323.418 1.641 20 5 DDBDHN C[C@H](O)[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248456967 408572184 /nfs/dbraw/zinc/57/21/84/408572184.db2.gz LZPBWQMQNGGYDP-YNEHKIRRSA-N 0 3 310.350 1.037 20 5 DDBDHN COCCN1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000274802686 408538838 /nfs/dbraw/zinc/53/88/38/408538838.db2.gz KVKVASOYUOJXAR-ZDUSSCGKSA-N 0 3 322.365 1.745 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)n1 ZINC000248663925 408612148 /nfs/dbraw/zinc/61/21/48/408612148.db2.gz KHRLFCIDMYATHE-NEPJUHHUSA-N 0 3 323.397 1.661 20 5 DDBDHN C[C@@H](c1ccccn1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270680760 408634398 /nfs/dbraw/zinc/63/43/98/408634398.db2.gz URCSPOHINMCOLU-WCQYABFASA-N 0 3 305.338 1.240 20 5 DDBDHN C[C@H](CN1CCCCCC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000185421747 408807422 /nfs/dbraw/zinc/80/74/22/408807422.db2.gz BLKCTKWMPKGEKE-LLVKDONJSA-N 0 3 321.381 1.566 20 5 DDBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276375750 408844816 /nfs/dbraw/zinc/84/48/16/408844816.db2.gz PIJROQASCMJOGB-LLVKDONJSA-N 0 3 320.393 1.979 20 5 DDBDHN C[C@@H]1C[C@H](N2CCOCC2)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000286174119 408936501 /nfs/dbraw/zinc/93/65/01/408936501.db2.gz WXNUBHGNSABBKV-PBHICJAKSA-N 0 3 319.405 1.932 20 5 DDBDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000286174123 408936559 /nfs/dbraw/zinc/93/65/59/408936559.db2.gz WXNUBHGNSABBKV-RHSMWYFYSA-N 0 3 319.405 1.932 20 5 DDBDHN CC(C)[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000286235340 408945757 /nfs/dbraw/zinc/94/57/57/408945757.db2.gz UIPRUCHEKFYFIL-MRXNPFEDSA-N 0 3 321.425 1.861 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCC1(N(C)C)CCC1 ZINC000277601510 408975091 /nfs/dbraw/zinc/97/50/91/408975091.db2.gz ORXOGWRISZMUAA-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCOC[C@@H](C2CCC2)C1 ZINC000292183524 408997121 /nfs/dbraw/zinc/99/71/21/408997121.db2.gz QUCNCTHDISBAKQ-AWEZNQCLSA-N 0 3 321.377 1.505 20 5 DDBDHN CO[C@]1(C)CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000279313536 409189482 /nfs/dbraw/zinc/18/94/82/409189482.db2.gz NKOZJWBPKPHLMS-GOEBONIOSA-N 0 3 324.377 1.835 20 5 DDBDHN CN(C)CCn1nccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294168997 409253348 /nfs/dbraw/zinc/25/33/48/409253348.db2.gz SMQZCPACHYQWMR-UHFFFAOYSA-N 0 3 303.322 1.605 20 5 DDBDHN C[C@@H]1[C@H](O)CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000296095420 409430103 /nfs/dbraw/zinc/43/01/03/409430103.db2.gz HPYZSVHGXGFRKE-YRGRVCCFSA-N 0 3 310.350 1.180 20 5 DDBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000295330636 409438387 /nfs/dbraw/zinc/43/83/87/409438387.db2.gz DAKICJVHPUBXJP-NSHDSACASA-N 0 3 309.370 1.558 20 5 DDBDHN C[NH+](C)Cc1cc(CNC(=O)c2cc([N+](=O)[O-])n[n-]2)ccc1F ZINC000285483321 409461516 /nfs/dbraw/zinc/46/15/16/409461516.db2.gz LOAINQYPQSSJKW-UHFFFAOYSA-N 0 3 321.312 1.449 20 5 DDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000321979919 164045995 /nfs/dbraw/zinc/04/59/95/164045995.db2.gz OZBQQPQKLNAFRU-RYUDHWBXSA-N 0 3 323.324 1.327 20 5 DDBDHN COc1c(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331591907 409670084 /nfs/dbraw/zinc/67/00/84/409670084.db2.gz XZBUEQYHXSLZJN-GHMZBOCLSA-N 0 3 319.361 1.958 20 5 DDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1N1CCCC1 ZINC000331665098 409749966 /nfs/dbraw/zinc/74/99/66/409749966.db2.gz YUWXFRLMEKMZGC-STQMWFEESA-N 0 3 324.406 1.575 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000346260953 409886839 /nfs/dbraw/zinc/88/68/39/409886839.db2.gz LHBFKWRGBRTFSP-QMMMGPOBSA-N 0 3 317.292 1.876 20 5 DDBDHN COCCCN(C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000357331640 409975926 /nfs/dbraw/zinc/97/59/26/409975926.db2.gz JRLNNNSXBFHJMX-UHFFFAOYSA-N 0 3 313.329 1.432 20 5 DDBDHN CC1(C)CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CCN1 ZINC000357350992 409988413 /nfs/dbraw/zinc/98/84/13/409988413.db2.gz SFLUZCZOHADECE-UHFFFAOYSA-N 0 3 307.350 1.574 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@]1(O)CCN(C)C1 ZINC000342833359 409933953 /nfs/dbraw/zinc/93/39/53/409933953.db2.gz ZDLUVOPLMXRTGG-OAHLLOKOSA-N 0 3 323.349 1.168 20 5 DDBDHN COC(=O)[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000346657677 410061407 /nfs/dbraw/zinc/06/14/07/410061407.db2.gz LHCKZTKLSZRNRQ-BXUZGUMPSA-N 0 3 308.334 1.857 20 5 DDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000346724330 410114185 /nfs/dbraw/zinc/11/41/85/410114185.db2.gz WVXJNDRSAOZBEB-LLVKDONJSA-N 0 3 311.338 1.371 20 5 DDBDHN C[C@@H]1CCCCN1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000298744294 410377051 /nfs/dbraw/zinc/37/70/51/410377051.db2.gz YFYQHFIIBQSOPX-SNVBAGLBSA-N 0 3 307.354 1.375 20 5 DDBDHN C[C@H]1[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343460458 410471869 /nfs/dbraw/zinc/47/18/69/410471869.db2.gz RVBOVKYMYFVITK-QWHCGFSZSA-N 0 3 320.393 1.996 20 5 DDBDHN C[C@@H](Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)N(C)C ZINC000331088452 410940538 /nfs/dbraw/zinc/94/05/38/410940538.db2.gz SABKUVKNMREOIT-ZETCQYMHSA-N 0 3 304.144 1.469 20 5 DDBDHN O=[N+]([O-])c1ccc(CNCCc2nnnn2-c2ccccc2)cc1 ZINC000337809795 411012415 /nfs/dbraw/zinc/01/24/15/411012415.db2.gz LWRVDNATMGGJBQ-UHFFFAOYSA-N 0 3 324.344 1.903 20 5 DDBDHN CCCN1CCC(NC(=O)c2nn(CC)cc2[N+](=O)[O-])CC1 ZINC000331204446 411015415 /nfs/dbraw/zinc/01/54/15/411015415.db2.gz OFCALVFBEYXMRZ-UHFFFAOYSA-N 0 3 309.370 1.415 20 5 DDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H](O)C(F)F ZINC000341365964 411024322 /nfs/dbraw/zinc/02/43/22/411024322.db2.gz RRAYGEDYLFSVET-KCJUWKMLSA-N 0 3 317.292 1.528 20 5 DDBDHN COC[C@]1(C)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000296665974 226104571 /nfs/dbraw/zinc/10/45/71/226104571.db2.gz KJOKVXOJRGIMRP-GDBMZVCRSA-N 0 3 324.377 1.693 20 5 DDBDHN C[C@@H]1CN(CCO)[C@@H](C)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000419322455 226114842 /nfs/dbraw/zinc/11/48/42/226114842.db2.gz HKDGQTWFYUWDMQ-UONOGXRCSA-N 0 3 323.393 1.361 20 5 DDBDHN O=C1CCc2cc([N+](=O)[O-])c(NCCN3CCCC3)cc2N1 ZINC000193668695 418534415 /nfs/dbraw/zinc/53/44/15/418534415.db2.gz AXGUXTQDNJMTAE-UHFFFAOYSA-N 0 3 304.350 1.987 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCC(C)CC2)n1 ZINC000191787795 222110082 /nfs/dbraw/zinc/11/00/82/222110082.db2.gz ZLGHEYWHUBLBNJ-GFCCVEGCSA-N 0 3 323.397 1.661 20 5 DDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000367839361 418644090 /nfs/dbraw/zinc/64/40/90/418644090.db2.gz AMSJYLOTNJUMMD-CMPLNLGQSA-N 0 3 319.365 1.271 20 5 DDBDHN CN(CCc1cccc([N+](=O)[O-])c1)CCN1CCCOCC1 ZINC000361376898 418639105 /nfs/dbraw/zinc/63/91/05/418639105.db2.gz NAJSZDCYNAOSBS-UHFFFAOYSA-N 0 3 307.394 1.791 20 5 DDBDHN CNc1c(C(=O)NC[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000388640052 418747086 /nfs/dbraw/zinc/74/70/86/418747086.db2.gz MTCGQDRNOWURPR-NSHDSACASA-N 0 3 306.366 1.708 20 5 DDBDHN COc1ccc2c(c1)CCN(CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000372376838 418862137 /nfs/dbraw/zinc/86/21/37/418862137.db2.gz PLQCIDSVQUPKNL-UHFFFAOYSA-N 0 3 316.361 1.901 20 5 DDBDHN NC(=O)c1ccc(CN[C@H]2CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000372810273 418904112 /nfs/dbraw/zinc/90/41/12/418904112.db2.gz PBVVIWYAFSAWSJ-GXTWGEPZSA-N 0 3 305.334 1.351 20 5 DDBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000417822248 419342690 /nfs/dbraw/zinc/34/26/90/419342690.db2.gz FJFLUCYWYMXEQC-DGCLKSJQSA-N 0 3 322.365 1.252 20 5 DDBDHN Cc1n[nH]c(C)c1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425999975 419377154 /nfs/dbraw/zinc/37/71/54/419377154.db2.gz FXOZVLCZWYAULZ-UHFFFAOYSA-N 0 3 304.354 1.968 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H](CO)[C@H]1CCCOC1 ZINC000411983746 419541918 /nfs/dbraw/zinc/54/19/18/419541918.db2.gz GKXWJNAINXSZHY-GXTWGEPZSA-N 0 3 310.350 1.481 20 5 DDBDHN Cc1cc(OCC(=O)N2CCN(C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000431989413 229072347 /nfs/dbraw/zinc/07/23/47/229072347.db2.gz ANOVAQUYDJSSCO-ZDUSSCGKSA-N 0 3 321.377 1.835 20 5 DDBDHN Cc1cc(OCC(=O)N[C@@H]2CCCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000430787129 420190383 /nfs/dbraw/zinc/19/03/83/420190383.db2.gz FFLGINURLBHFHV-GXTWGEPZSA-N 0 3 321.377 1.881 20 5 DDBDHN CCC[NH2+]CC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000440842789 420612857 /nfs/dbraw/zinc/61/28/57/420612857.db2.gz FWBNBJRQPBYXSP-UHFFFAOYSA-N 0 3 301.368 1.181 20 5 DDBDHN CO[C@@H]1COC[C@@H]1N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000459759597 420866485 /nfs/dbraw/zinc/86/64/85/420866485.db2.gz RFPTUJFJPCYXDQ-DDTOSNHZSA-N 0 3 323.349 1.315 20 5 DDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCCN(CCCO)C2)c(F)c1 ZINC000449397071 421007609 /nfs/dbraw/zinc/00/76/09/421007609.db2.gz NWIQMKKMOFQUFB-ZDUSSCGKSA-N 0 3 311.357 1.670 20 5 DDBDHN CCCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456051270 421093404 /nfs/dbraw/zinc/09/34/04/421093404.db2.gz JFBXXOATOYPFDU-NSHDSACASA-N 0 3 321.381 1.636 20 5 DDBDHN C[C@H]1CN(CCO)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449786396 421084901 /nfs/dbraw/zinc/08/49/01/421084901.db2.gz NMYODXAENJIQKC-YVZNUBBCSA-N 0 3 305.378 1.606 20 5 DDBDHN C[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000557071811 421758832 /nfs/dbraw/zinc/75/88/32/421758832.db2.gz QIGIMNNMWVROEC-JTQLQIEISA-N 0 3 307.354 1.264 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000542778311 421828689 /nfs/dbraw/zinc/82/86/89/421828689.db2.gz KUWDZIAQYYHDGQ-DZGCQCFKSA-N 0 3 318.377 1.830 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000582002826 422085445 /nfs/dbraw/zinc/08/54/45/422085445.db2.gz HNQTXEPPQRPPPT-MNOVXSKESA-N 0 3 315.395 1.616 20 5 DDBDHN O=[N+]([O-])c1ccn(CCNC2(c3ccc4c(c3)OCO4)CC2)n1 ZINC000342210588 271340535 /nfs/dbraw/zinc/34/05/35/271340535.db2.gz SLLIBQFIRXHCGF-UHFFFAOYSA-N 0 3 316.317 1.799 20 5 DDBDHN CN1CCC(Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301107485 273870691 /nfs/dbraw/zinc/87/06/91/273870691.db2.gz WVWCJVMQYMOAGH-UHFFFAOYSA-N 0 3 306.322 1.432 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1cnn(C)c1 ZINC000449210899 274498727 /nfs/dbraw/zinc/49/87/27/274498727.db2.gz SGUPBGCLYVUFAC-RISCZKNCSA-N 0 3 304.350 1.583 20 5 DDBDHN CN1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000264860711 277049371 /nfs/dbraw/zinc/04/93/71/277049371.db2.gz LSWIADFDZOLUHW-UHFFFAOYSA-N 0 3 302.334 1.854 20 5 DDBDHN CN1CCNC[C@H]1CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423522042 277116785 /nfs/dbraw/zinc/11/67/85/277116785.db2.gz RENADVVNARJTTA-BBRMVZONSA-N 0 3 318.421 1.810 20 5 DDBDHN CN(C)CCN(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362877665 300168488 /nfs/dbraw/zinc/16/84/88/300168488.db2.gz UUJKJQCUDYGVDT-UHFFFAOYSA-N 0 3 301.293 1.436 20 5 DDBDHN CC(C)N(C)CC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368413022 301022151 /nfs/dbraw/zinc/02/21/51/301022151.db2.gz PDMRLNSMIRJNMD-GFCCVEGCSA-N 0 3 309.370 1.295 20 5 DDBDHN C[C@@H](CO)N1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368966164 301111738 /nfs/dbraw/zinc/11/17/38/301111738.db2.gz NLCHNDLEPWJAMO-BBRMVZONSA-N 0 3 323.393 1.017 20 5 DDBDHN CC(C)OC[C@@H](O)CN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369012206 301119718 /nfs/dbraw/zinc/11/97/18/301119718.db2.gz UMXJYJZBBXLXBR-JSGCOSHPSA-N 0 3 312.370 1.214 20 5 DDBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[C@@H]1N1CCN(C)CC1 ZINC000374312949 301790576 /nfs/dbraw/zinc/79/05/76/301790576.db2.gz SRBAGOSZCAVVAB-ZFWWWQNUSA-N 0 3 319.409 1.452 20 5 DDBDHN CSC1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCN(C)CC1 ZINC000357379026 306880102 /nfs/dbraw/zinc/88/01/02/306880102.db2.gz RCRRTROJITVPEE-UHFFFAOYSA-N 0 3 312.395 1.480 20 5 DDBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531883055 303263157 /nfs/dbraw/zinc/26/31/57/303263157.db2.gz WWQKNFXOOYARCJ-TXEJJXNPSA-N 0 3 306.366 1.983 20 5 DDBDHN CN(C)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532393346 303284833 /nfs/dbraw/zinc/28/48/33/303284833.db2.gz JVNLJVZFKPFXFM-UHFFFAOYSA-N 0 3 322.365 1.173 20 5 DDBDHN COc1ccc(CN[C@H]2CCc3c[nH]nc3C2)cc1[N+](=O)[O-] ZINC000363938669 307038201 /nfs/dbraw/zinc/03/82/01/307038201.db2.gz PIERUSWZGFHYBY-LBPRGKRZSA-N 0 3 302.334 1.974 20 5 DDBDHN Cc1n[nH]cc1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000375378264 307225136 /nfs/dbraw/zinc/22/51/36/307225136.db2.gz MAEKRDZDPOQSKE-UHFFFAOYSA-N 0 3 304.354 1.702 20 5 DDBDHN COc1cc(C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000376642884 307251096 /nfs/dbraw/zinc/25/10/96/307251096.db2.gz MLLUEUZLLUSESB-BXUZGUMPSA-N 0 3 319.361 1.770 20 5 DDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C)C[C@H]1CN ZINC000577162365 308366810 /nfs/dbraw/zinc/36/68/10/308366810.db2.gz FPMFGXYKTLHLJP-CYBMUJFWSA-N 0 3 321.381 1.264 20 5 DDBDHN CCN1CC[C@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000357540310 484510138 /nfs/dbraw/zinc/51/01/38/484510138.db2.gz XBOUCIATZSDQAZ-QWRGUYRKSA-N 0 3 321.381 1.398 20 5 DDBDHN CC1(C)[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000296177542 490729054 /nfs/dbraw/zinc/72/90/54/490729054.db2.gz LFUOTXCCEZNVNU-IACUBPJLSA-N 0 3 319.361 1.597 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@]1(C)CCO[C@@H]1C ZINC000494242661 534339671 /nfs/dbraw/zinc/33/96/71/534339671.db2.gz URKWBTMLOYZTHN-IAQYHMDHSA-N 0 3 307.350 1.999 20 5 DDBDHN CC[C@H]1CN(CC)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000451741337 529290318 /nfs/dbraw/zinc/29/03/18/529290318.db2.gz OFSZVRMVGBKRGG-ZDUSSCGKSA-N 0 3 308.382 1.173 20 5 DDBDHN CN(C)CC1(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CCC1 ZINC000798470492 700068291 /nfs/dbraw/zinc/06/82/91/700068291.db2.gz DRRHWZHAXDZZIA-UHFFFAOYSA-N 0 3 319.408 1.419 20 5 DDBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000783598415 698855330 /nfs/dbraw/zinc/85/53/30/698855330.db2.gz ROECRMYULBMFNL-JTQLQIEISA-N 0 3 318.782 1.773 20 5 DDBDHN O=[N+]([O-])c1ccc(Cl)c(CNCCC2CS(=O)(=O)C2)c1 ZINC000786824107 699171981 /nfs/dbraw/zinc/17/19/81/699171981.db2.gz IQZMTFXHVXJPHK-UHFFFAOYSA-N 0 3 318.782 1.773 20 5 DDBDHN C[C@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801914238 700353105 /nfs/dbraw/zinc/35/31/05/700353105.db2.gz UVKVENPCZWWDKD-VIFPVBQESA-N 0 3 310.329 1.388 20 5 DDBDHN CC(COC(=O)C1CCC(OC[C@@H]2CCCO2)CC1)[N+](=O)[O-] ZINC000816091363 702011100 /nfs/dbraw/zinc/01/11/00/702011100.db2.gz UBEWHLGXVUFKRI-ABXWRUBCSA-N 0 3 315.366 1.949 20 5 DDBDHN Cc1ccc(CNC(=O)N[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000868366318 702089745 /nfs/dbraw/zinc/08/97/45/702089745.db2.gz PSDWMCDHNRBYRK-ZDUSSCGKSA-N 0 3 318.377 1.939 20 5 DDBDHN CCCCC(=O)N1CSC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104040 702292233 /nfs/dbraw/zinc/29/22/33/702292233.db2.gz JCIGVXNRVZFWQM-VHSXEESVSA-N 0 3 304.368 1.287 20 5 DDBDHN CC(COC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)[N+](=O)[O-] ZINC000813106993 702294012 /nfs/dbraw/zinc/29/40/12/702294012.db2.gz JTPIXUCHVNLAHU-NSHDSACASA-N 0 3 322.361 1.922 20 5 DDBDHN CC(COC(=O)C1CCN(C(=O)c2cccnc2)CC1)[N+](=O)[O-] ZINC000813111029 702297287 /nfs/dbraw/zinc/29/72/87/702297287.db2.gz ARBSOYOOKPGMJN-NSHDSACASA-N 0 3 321.333 1.142 20 5 DDBDHN CC(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)[N+](=O)[O-] ZINC000813115019 702299156 /nfs/dbraw/zinc/29/91/56/702299156.db2.gz IYFWUVWTTHKMDS-YPMHNXCESA-N 0 3 306.318 1.244 20 5 DDBDHN O=C(NC[C@@H]1CNCCO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841011730 702309884 /nfs/dbraw/zinc/30/98/84/702309884.db2.gz SWFGMPHPEVKNIN-VIFPVBQESA-N 0 3 314.729 1.358 20 5 DDBDHN CCS(=O)(=O)CCN[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866257345 706659151 /nfs/dbraw/zinc/65/91/51/706659151.db2.gz YJLYZGXGFWLJKQ-SNVBAGLBSA-N 0 3 318.370 1.689 20 5 DDBDHN N[C@@H](CC(F)F)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217767 706660172 /nfs/dbraw/zinc/66/01/72/706660172.db2.gz JZMRBXODRVRBGL-VIFPVBQESA-N 0 3 307.684 1.847 20 5 DDBDHN CN(C)CCN(C)C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848586692 703566030 /nfs/dbraw/zinc/56/60/30/703566030.db2.gz BWMKTJNECHFFDF-UHFFFAOYSA-N 0 3 317.292 1.586 20 5 DDBDHN O=C(NCCNC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000818947955 704031995 /nfs/dbraw/zinc/03/19/95/704031995.db2.gz LUHSFXAOFXCTFQ-CYBMUJFWSA-N 0 3 319.317 1.241 20 5 DDBDHN CO[C@@]1(CO)CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852410507 704036630 /nfs/dbraw/zinc/03/66/30/704036630.db2.gz CDPYSWPJECBZCH-CABCVRRESA-N 0 3 310.350 1.102 20 5 DDBDHN CC(C)(C)[S@](=O)CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819057011 704062048 /nfs/dbraw/zinc/06/20/48/704062048.db2.gz RHPMPASFLWGNLI-LRTDBIEQSA-N 0 3 314.407 1.765 20 5 DDBDHN CC(C)(C)N1C[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000819126070 704072895 /nfs/dbraw/zinc/07/28/95/704072895.db2.gz IAQNRBCJLKSHPQ-JSGCOSHPSA-N 0 3 321.377 1.617 20 5 DDBDHN CN1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCC1(C)C ZINC000871151220 704231312 /nfs/dbraw/zinc/23/13/12/704231312.db2.gz YWZZXGJTSJUNBK-UHFFFAOYSA-N 0 3 321.377 1.916 20 5 DDBDHN C/C(=C\C(=O)N[C@H](CO)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000854464401 704401765 /nfs/dbraw/zinc/40/17/65/704401765.db2.gz KCWPVELHLYUVIX-YKWSONSWSA-N 0 3 307.350 1.037 20 5 DDBDHN CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000856073448 704512299 /nfs/dbraw/zinc/51/22/99/704512299.db2.gz QACKRPOGOBSDBN-VIFPVBQESA-N 0 3 310.329 1.530 20 5 DDBDHN C[C@@H]([NH3+])[C@H](C)[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766721 704622441 /nfs/dbraw/zinc/62/24/41/704622441.db2.gz VPIBMWWKKCINPF-SFYZADRCSA-N 0 3 303.265 1.418 20 5 DDBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@@](C)(O)c1ccccc1 ZINC000823591362 705274923 /nfs/dbraw/zinc/27/49/23/705274923.db2.gz KCFFYQAMIVCNTG-OAHLLOKOSA-N 0 3 304.350 1.631 20 5 DDBDHN CN(C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861719175 705550524 /nfs/dbraw/zinc/55/05/24/705550524.db2.gz XWIIEZCOZSXPNV-LBPRGKRZSA-N 0 3 317.345 1.400 20 5 DDBDHN O=[N+]([O-])c1c(N[C@H](CO)CN2CCCCC2)nc2ccccn21 ZINC000828162417 706130582 /nfs/dbraw/zinc/13/05/82/706130582.db2.gz CCRDHPGUHKJZNE-LBPRGKRZSA-N 0 3 319.365 1.501 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccnc(F)c2)c1 ZINC000872223591 707336331 /nfs/dbraw/zinc/33/63/31/707336331.db2.gz UMBQYCBRTZEDCI-ZDUSSCGKSA-N 0 3 321.308 1.658 20 5 DDBDHN COc1cc(CNCC[C@@H](O)C2CC2)c([N+](=O)[O-])cc1OC ZINC000898206129 708572545 /nfs/dbraw/zinc/57/25/45/708572545.db2.gz LWOXHKLADHINFP-CYBMUJFWSA-N 0 3 310.350 1.863 20 5 DDBDHN O=C(NC[C@H]1CCN1C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000885855390 708640284 /nfs/dbraw/zinc/64/02/84/708640284.db2.gz PWCJXTYBNKSKCW-OAHLLOKOSA-N 0 3 319.361 1.578 20 5 DDBDHN O=[N+]([O-])c1ncccc1CN1CCC(CN2CCOCC2)CC1 ZINC000885958920 708671380 /nfs/dbraw/zinc/67/13/80/708671380.db2.gz OTSCMBLXUWFUGK-UHFFFAOYSA-N 0 3 320.393 1.534 20 5 DDBDHN CCN1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910269081 709853543 /nfs/dbraw/zinc/85/35/43/709853543.db2.gz DSOGJLVYQBLFKU-WFASDCNBSA-N 0 3 321.377 1.571 20 5 DDBDHN COc1c([O-])ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000891864493 710312903 /nfs/dbraw/zinc/31/29/03/710312903.db2.gz REOAMDMRKSSMHC-CYBMUJFWSA-N 0 3 321.377 1.979 20 5 DDBDHN COc1cc(OCC(=O)N[C@H]2CCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000928442801 713197782 /nfs/dbraw/zinc/19/77/82/713197782.db2.gz CFFOFIPZLTVHGL-JQWIXIFHSA-N 0 3 323.349 1.191 20 5 DDBDHN COc1cc([C@H](C)N[C@H](C)[C@@H]2CN(C)CCO2)cc([N+](=O)[O-])c1 ZINC000903125517 711040722 /nfs/dbraw/zinc/04/07/22/711040722.db2.gz MTGSMMQRYZPQPD-OZVIIMIRSA-N 0 3 323.393 1.973 20 5 DDBDHN C[C@H](NCCCc1nnnn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903350938 711100372 /nfs/dbraw/zinc/10/03/72/711100372.db2.gz GALXTTDVUHOFPG-VIFPVBQESA-N 0 3 308.317 1.541 20 5 DDBDHN COC(=O)C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000932104363 714259518 /nfs/dbraw/zinc/25/95/18/714259518.db2.gz FIOUHMBSJVCHDD-KYOSRNDESA-N 0 3 322.361 1.759 20 5 DDBDHN COC(C)(C)[C@@H](C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000932369936 714318819 /nfs/dbraw/zinc/31/88/19/714318819.db2.gz GXPRTPUHNCAJQH-LLVKDONJSA-N 0 3 309.366 1.961 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](c1ccccn1)C1CC1 ZINC000932380654 714320871 /nfs/dbraw/zinc/32/08/71/714320871.db2.gz DEGDONVDDBUFFU-MRXNPFEDSA-N 0 3 314.345 1.892 20 5 DDBDHN CN(CCO)CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000925014866 714727483 /nfs/dbraw/zinc/72/74/83/714727483.db2.gz RNIQKTIMEAIGAQ-UHFFFAOYSA-N 0 3 323.393 1.546 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCN1C ZINC000925333469 714815175 /nfs/dbraw/zinc/81/51/75/714815175.db2.gz FCMYAZQJCBSDHA-RISCZKNCSA-N 0 3 318.377 1.755 20 5 DDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2nccn2CC(F)(F)F)C1 ZINC001168991960 762165616 /nfs/dbraw/zinc/16/56/16/762165616.db2.gz INLLCBJQPJSJIR-VHSXEESVSA-N 0 3 306.288 1.980 20 5 DDBDHN COC(=O)Cc1ccc(-n2ccc([C@@H](C)N)n2)cc1[N+](=O)[O-] ZINC001169232492 762292901 /nfs/dbraw/zinc/29/29/01/762292901.db2.gz FWUGKJVSCLKBMP-SECBINFHSA-N 0 3 304.306 1.516 20 5 DDBDHN Cc1cc(N)n(Nc2cc3c(cc2[N+](=O)[O-])CNC3)c(=O)c1 ZINC001169303814 762353214 /nfs/dbraw/zinc/35/32/14/762353214.db2.gz XPKIUEPPTFNWAV-UHFFFAOYSA-N 0 3 301.306 1.126 20 5 DDBDHN COc1ccc(C[C@H](C)n2cc(CN)cnc2=N)c([N+](=O)[O-])c1 ZINC001170325638 766253139 /nfs/dbraw/zinc/25/31/39/766253139.db2.gz XUBZCXGTRRBBFW-JTQLQIEISA-N 0 3 317.349 1.542 20 5 DDBDHN Cc1ncn(C)c1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001129959874 767072085 /nfs/dbraw/zinc/07/20/85/767072085.db2.gz QGUDPFPGKWFMNJ-UHFFFAOYSA-N 0 3 317.349 1.156 20 5 DDBDHN COCC(=O)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001048630706 769593861 /nfs/dbraw/zinc/59/38/61/769593861.db2.gz OSVYYKVXARNWRA-OKILXGFUSA-N 0 3 319.361 1.131 20 5 DDBDHN Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H](C)[C@H]2CNCCO2)n1 ZINC001159496532 771601484 /nfs/dbraw/zinc/60/14/84/771601484.db2.gz JPGKROVBPJXJIF-HTRCEHHLSA-N 0 3 301.734 1.135 20 5 DDBDHN CC(C)N(C)CC(=O)NCCN(C)c1ccccc1[N+](=O)[O-] ZINC001100149201 775734672 /nfs/dbraw/zinc/73/46/72/775734672.db2.gz AMTHMEOYMYBGRR-UHFFFAOYSA-N 0 3 308.382 1.487 20 5 DDBDHN CCN(CC)CC(=O)NCCCNc1ncccc1[N+](=O)[O-] ZINC001094441807 775878429 /nfs/dbraw/zinc/87/84/29/775878429.db2.gz CGDPTYBADACAEQ-UHFFFAOYSA-N 0 3 309.370 1.250 20 5 DDBDHN CCCN(C)CC(=O)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094517315 775974228 /nfs/dbraw/zinc/97/42/28/775974228.db2.gz LTDDBXHWKZQHQN-UHFFFAOYSA-N 0 3 308.382 1.855 20 5 DDBDHN COC(=O)CCC(=O)CN[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216416 777049192 /nfs/dbraw/zinc/04/91/92/777049192.db2.gz JDKMIZQJXCGCNT-NSHDSACASA-N 0 3 308.334 1.638 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)nc(NCc2nnn3c2CNCCC3)c1 ZINC001155390455 862030469 /nfs/dbraw/zinc/03/04/69/862030469.db2.gz PFWUMTIPGBUGED-UHFFFAOYSA-N 0 3 323.744 1.340 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3[C@H](C2)CCCN3C)n1 ZINC001157282395 863709609 /nfs/dbraw/zinc/70/96/09/863709609.db2.gz NBWPIYZLELCEHC-GWCFXTLKSA-N 0 3 320.349 1.307 20 5 DDBDHN CC(F)(F)C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001154113995 864418797 /nfs/dbraw/zinc/41/87/97/864418797.db2.gz CZQKCLXWSOJXCJ-UHFFFAOYSA-N 0 3 301.293 1.846 20 5 DDBDHN Cc1nc(Cl)nc(N[C@@H](C)[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159489151 865342323 /nfs/dbraw/zinc/34/23/23/865342323.db2.gz KKYZTLJJHUGECJ-XPUUQOCRSA-N 0 3 301.734 1.135 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(-c2nc([C@@H]3CN4CCC3CC4)no2)n1 ZINC001323915610 866946530 /nfs/dbraw/zinc/94/65/30/866946530.db2.gz UTYIENUBGJSVHZ-SECBINFHSA-N 0 3 304.310 1.188 20 5 DDBDHN CN(C)CCONC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001334408756 867547234 /nfs/dbraw/zinc/54/72/34/867547234.db2.gz OZJHCESYHSBLTG-UHFFFAOYSA-N 0 3 304.306 1.366 20 5 DDBDHN COC(=O)/C=C\c1ccc(NCCN(C)CCO)c([N+](=O)[O-])c1 ZINC001164120552 868952185 /nfs/dbraw/zinc/95/21/85/868952185.db2.gz WVBPIMCMSALUMB-XQRVVYSFSA-N 0 3 323.349 1.117 20 5 DDBDHN C[C@H](NC(=O)CNC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC001354829091 878253200 /nfs/dbraw/zinc/25/32/00/878253200.db2.gz GUZIYXNBJRHGFA-SMDDNHRTSA-N 0 3 307.350 1.541 20 5 DDBDHN O=C1C[C@]2(CCN(CCOc3ccccc3[N+](=O)[O-])C2)CN1 ZINC000278760991 214383196 /nfs/dbraw/zinc/38/31/96/214383196.db2.gz BNOGNRNNMGBMGG-OAHLLOKOSA-N 0 3 305.334 1.186 20 5 DDBDHN CC[C@H](NC[C@@H](O)Cn1ccnn1)c1cccc([N+](=O)[O-])c1 ZINC000414178796 529612735 /nfs/dbraw/zinc/61/27/35/529612735.db2.gz KFWRWNWYDVTUJK-KGLIPLIRSA-N 0 3 305.338 1.288 20 5 DDBDHN CNC(=O)CC[C@@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000286603610 219076994 /nfs/dbraw/zinc/07/69/94/219076994.db2.gz WSOYJRHYSVGXPD-LBPRGKRZSA-N 0 3 309.370 1.172 20 5 DDBDHN COCCCN(C)CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255526984 282263608 /nfs/dbraw/zinc/26/36/08/282263608.db2.gz LVEFHICVUXKXLC-HJWRWDBZSA-N 0 3 321.377 1.693 20 5 DDBDHN COC(=O)c1cc(C(=O)N[C@@H](C)CN(C)C)cc([N+](=O)[O-])c1 ZINC000286874038 219205117 /nfs/dbraw/zinc/20/51/17/219205117.db2.gz DPVAYQJGQHQFCS-VIFPVBQESA-N 0 3 309.322 1.061 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000277567936 213623322 /nfs/dbraw/zinc/62/33/22/213623322.db2.gz KWUKJXAVIGEOEJ-QWRGUYRKSA-N 0 3 319.361 1.958 20 5 DDBDHN Cc1c(NC(=O)CCN2C[C@@H](O)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000279881940 215202721 /nfs/dbraw/zinc/20/27/21/215202721.db2.gz UKMUDVIRCKRWFG-CQSZACIVSA-N 0 3 321.377 1.935 20 5 DDBDHN CN(C)CC(C)(C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000459548624 233303715 /nfs/dbraw/zinc/30/37/15/233303715.db2.gz MIBMGYWEDCNPRN-UHFFFAOYSA-N 0 3 308.382 1.487 20 5 DDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000262880913 186318420 /nfs/dbraw/zinc/31/84/20/186318420.db2.gz VXKFNTHHPTUOST-VHSXEESVSA-N 0 3 311.769 2.000 20 5 DDBDHN C[C@@H]1CCCN(CCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046861370 352465888 /nfs/dbraw/zinc/46/58/88/352465888.db2.gz YPGYNEMXOCGEEF-CYBMUJFWSA-N 0 3 305.378 1.985 20 5 DDBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000052101700 352599682 /nfs/dbraw/zinc/59/96/82/352599682.db2.gz KIHBIMCPHWAUKI-DZGCQCFKSA-N 0 3 310.350 1.445 20 5 DDBDHN C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)N1CCCC[C@H]1C ZINC000055362620 352730382 /nfs/dbraw/zinc/73/03/82/352730382.db2.gz HYFYOIFIFATVMS-NEPJUHHUSA-N 0 3 309.370 1.170 20 5 DDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H]1CN1CCCCC1 ZINC000068132788 353091216 /nfs/dbraw/zinc/09/12/16/353091216.db2.gz RDYOAALCHSTVFC-ZDUSSCGKSA-N 0 3 321.381 1.268 20 5 DDBDHN CN1CCC(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000073513905 353255534 /nfs/dbraw/zinc/25/55/34/353255534.db2.gz PYYNALKFKBGLTR-UHFFFAOYSA-N 0 3 307.350 1.432 20 5 DDBDHN CCc1nn(C)c(NC[C@H](C)N2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000092828655 353871525 /nfs/dbraw/zinc/87/15/25/353871525.db2.gz PZDGJZCLEYRLNV-LBPRGKRZSA-N 0 3 324.429 1.329 20 5 DDBDHN COc1cc(C(=O)N[C@@H]2CCN(CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000108304199 353949215 /nfs/dbraw/zinc/94/92/15/353949215.db2.gz LFXWHYDQUMZZSJ-CYBMUJFWSA-N 0 3 319.361 1.818 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000277039155 213257149 /nfs/dbraw/zinc/25/71/49/213257149.db2.gz HBIMQNHJZWFVRB-BXUZGUMPSA-N 0 3 319.361 1.770 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CN(C)Cc1ccccc1 ZINC000305356028 354470011 /nfs/dbraw/zinc/47/00/11/354470011.db2.gz XQCPFLCLCZDWQV-AWEZNQCLSA-N 0 3 304.350 1.593 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC1CCN([C@H]2CCOC2)CC1 ZINC000588823523 354939488 /nfs/dbraw/zinc/93/94/88/354939488.db2.gz AUKXCDHSCQMBAN-ZDUSSCGKSA-N 0 3 323.397 1.785 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@]1(C)CCO[C@@H]1C ZINC000494252579 235011976 /nfs/dbraw/zinc/01/19/76/235011976.db2.gz ZBGIULMSGHNTNZ-IAQYHMDHSA-N 0 3 307.350 1.999 20 5 DDBDHN CN(CC(=O)N1CC[C@@H]2CN(C)C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000590046409 355043936 /nfs/dbraw/zinc/04/39/36/355043936.db2.gz CKRSECMEWLYSPC-IUODEOHRSA-N 0 3 318.377 1.194 20 5 DDBDHN COc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590442696 355096319 /nfs/dbraw/zinc/09/63/19/355096319.db2.gz ACHHCXYGGZBWPW-YPMHNXCESA-N 0 3 305.334 1.380 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590446544 355099091 /nfs/dbraw/zinc/09/90/91/355099091.db2.gz UJAAVCQKXDYSIK-DOMZBBRYSA-N 0 3 318.377 1.559 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C[C@@H]21 ZINC000590872558 355202516 /nfs/dbraw/zinc/20/25/16/355202516.db2.gz HUNPVHDUHMJCDV-SKDRFNHKSA-N 0 3 319.317 1.100 20 5 DDBDHN CN1CC[C@@H]2[C@@H](CCCN2c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000248683297 283094536 /nfs/dbraw/zinc/09/45/36/283094536.db2.gz XTDHZEGWSRCGDX-QWHCGFSZSA-N 0 3 318.377 1.614 20 5 DDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CNCCC1(F)F ZINC000591669689 355357490 /nfs/dbraw/zinc/35/74/90/355357490.db2.gz VVTFJBBWKHRWKS-LBPRGKRZSA-N 0 3 313.304 1.498 20 5 DDBDHN CN1CC[C@]2(CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000593161974 355815522 /nfs/dbraw/zinc/81/55/22/355815522.db2.gz FUUCGSMJOISTBE-INIZCTEOSA-N 0 3 321.352 1.831 20 5 DDBDHN COCCN(C)C[C@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000593969919 356076048 /nfs/dbraw/zinc/07/60/48/356076048.db2.gz GNYIHCASRJFJJM-CHWSQXEVSA-N 0 3 311.382 1.185 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594417366 356202945 /nfs/dbraw/zinc/20/29/45/356202945.db2.gz BZDBOQOBFZCBPD-WDEREUQCSA-N 0 3 307.354 1.075 20 5 DDBDHN Cc1n[nH]c(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594418444 356203882 /nfs/dbraw/zinc/20/38/82/356203882.db2.gz JBAFFCZSRDJNJH-GHMZBOCLSA-N 0 3 307.354 1.373 20 5 DDBDHN C[NH+](C)C1CCN(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596152442 356793751 /nfs/dbraw/zinc/79/37/51/356793751.db2.gz XYGOSAHMAGBUSO-UHFFFAOYSA-N 0 3 309.370 1.133 20 5 DDBDHN O=c1[n-]ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000596168217 356800096 /nfs/dbraw/zinc/80/00/96/356800096.db2.gz QUJPXBIQLOSHBH-LLVKDONJSA-N 0 3 308.338 1.361 20 5 DDBDHN CCN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@@H]1CCN(CC)C1 ZINC000596817663 356985137 /nfs/dbraw/zinc/98/51/37/356985137.db2.gz PUYAZPDOGKZDOP-LLVKDONJSA-N 0 3 307.354 1.360 20 5 DDBDHN CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H]1CCN(C)C1 ZINC000597943877 357392136 /nfs/dbraw/zinc/39/21/36/357392136.db2.gz ADFGMJKDGUNYRA-NSHDSACASA-N 0 3 321.333 1.490 20 5 DDBDHN CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H]1CCN(C)C1 ZINC000597943876 357393116 /nfs/dbraw/zinc/39/31/16/357393116.db2.gz ADFGMJKDGUNYRA-LLVKDONJSA-N 0 3 321.333 1.490 20 5 DDBDHN CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@@H]1CCN(CC)C1 ZINC000598041415 357439269 /nfs/dbraw/zinc/43/92/69/357439269.db2.gz UIMPTOBMYCURHW-LLVKDONJSA-N 0 3 309.370 1.368 20 5 DDBDHN COC(=O)CCNC(=O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000599089457 357811868 /nfs/dbraw/zinc/81/18/68/357811868.db2.gz ULEMETHXYVSBQI-NSHDSACASA-N 0 3 323.349 1.315 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCCN([C@@H](C)CO)CC1 ZINC000358914486 299279453 /nfs/dbraw/zinc/27/94/53/299279453.db2.gz JIPASOZBPDUOSD-NSHDSACASA-N 0 3 311.386 1.013 20 5 DDBDHN CCN1CCCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601116120 358409565 /nfs/dbraw/zinc/40/95/65/358409565.db2.gz ONPHZBSZEDOECA-UHFFFAOYSA-N 0 3 321.303 1.879 20 5 DDBDHN Cc1cc(S(=O)(=O)[N-]C[C@H](C)C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601419244 358543487 /nfs/dbraw/zinc/54/34/87/358543487.db2.gz GSPZTZXYLAZBPB-QMMMGPOBSA-N 0 3 321.424 1.441 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cccc(F)c2F)c1 ZINC000601969347 358758937 /nfs/dbraw/zinc/75/89/37/358758937.db2.gz QJTZLAKXJNHMHP-NSHDSACASA-N 0 3 312.276 1.220 20 5 DDBDHN Cn1cc(CN2CCN(CCC(C)(C)C)CC2)c([N+](=O)[O-])n1 ZINC000602450451 358984914 /nfs/dbraw/zinc/98/49/14/358984914.db2.gz VZCUWHZWXSUZLC-UHFFFAOYSA-N 0 3 309.414 1.882 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602724370 359149903 /nfs/dbraw/zinc/14/99/03/359149903.db2.gz KGKVDOUGHSENHS-IYBDPMFKSA-N 0 3 317.345 1.388 20 5 DDBDHN C[C@]12CN(Cc3ccc([N+](=O)[O-])cc3)C[C@@]1(C)C(=O)NC2=O ZINC000602731567 359154075 /nfs/dbraw/zinc/15/40/75/359154075.db2.gz NHPPDELJUKVNEZ-GASCZTMLSA-N 0 3 303.318 1.079 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC2(CCN(C)C2=O)CC1 ZINC000602818751 359213008 /nfs/dbraw/zinc/21/30/08/359213008.db2.gz ONRPDYGVUYNVAG-UHFFFAOYSA-N 0 3 321.381 1.044 20 5 DDBDHN C[C@@H](C(=O)N[C@H](CO)CN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000603053791 359378281 /nfs/dbraw/zinc/37/82/81/359378281.db2.gz SJTOHIYZWDQHSM-OCCSQVGLSA-N 0 3 321.377 1.271 20 5 DDBDHN Cc1ccc(NCCCNC(=O)[C@@H]2CCCCN2)c([N+](=O)[O-])c1 ZINC000237667473 202323899 /nfs/dbraw/zinc/32/38/99/202323899.db2.gz OOUPLWHAXIXYPT-AWEZNQCLSA-N 0 3 320.393 1.964 20 5 DDBDHN COCCN1CC[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611704747 360799226 /nfs/dbraw/zinc/79/92/26/360799226.db2.gz DLFNOUJRQIYARG-NSHDSACASA-N 0 3 317.349 1.671 20 5 DDBDHN C[NH2+][C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261564489 203076944 /nfs/dbraw/zinc/07/69/44/203076944.db2.gz CSJBZJOIASOXES-SSDOTTSWSA-N 0 3 307.759 1.134 20 5 DDBDHN C[C@@H](Cn1cccn1)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000264887425 204240733 /nfs/dbraw/zinc/24/07/33/204240733.db2.gz SKAVQUWZVZPWHH-RYUDHWBXSA-N 0 3 317.349 1.797 20 5 DDBDHN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CCN1C[C@@H](C)O ZINC000266392083 205313616 /nfs/dbraw/zinc/31/36/16/205313616.db2.gz OEAXAAZFFRTDEK-CHWSQXEVSA-N 0 3 323.393 1.885 20 5 DDBDHN CC(C)N(Cc1ccco1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266507271 205396116 /nfs/dbraw/zinc/39/61/16/205396116.db2.gz CEPXAMRFKBBVKY-ZDUSSCGKSA-N 0 3 308.338 1.656 20 5 DDBDHN COc1ccc(NC(=O)CN[C@@H](C)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000274084192 211340793 /nfs/dbraw/zinc/34/07/93/211340793.db2.gz SOMHRNSMYCITHP-UWVGGRQHSA-N 0 3 311.338 1.148 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000104831901 194045315 /nfs/dbraw/zinc/04/53/15/194045315.db2.gz LIDJXVVKQQSYNO-LLVKDONJSA-N 0 3 306.366 1.700 20 5 DDBDHN CCN1CCCC[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000110994217 194378221 /nfs/dbraw/zinc/37/82/21/194378221.db2.gz QWOLEIHLDBJRKO-ZDUSSCGKSA-N 0 3 320.393 1.997 20 5 DDBDHN C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000294526590 224071742 /nfs/dbraw/zinc/07/17/42/224071742.db2.gz WUYKIAHIUPZFBK-NSHDSACASA-N 0 3 307.350 1.624 20 5 DDBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC1(CO)CCOCC1 ZINC000222271792 285116935 /nfs/dbraw/zinc/11/69/35/285116935.db2.gz YIQXBPVPAQUYNS-UHFFFAOYSA-N 0 3 300.742 1.879 20 5 DDBDHN O=C(NCC1CC1)[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157698273 197209031 /nfs/dbraw/zinc/20/90/31/197209031.db2.gz HXBJSHOREQNDHV-ZDUSSCGKSA-N 0 3 321.381 1.030 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN[C@@H]2CCO[C@H]2c2ccccc2)n1 ZINC000191934945 285168492 /nfs/dbraw/zinc/16/84/92/285168492.db2.gz OKRPHXZYXINCMP-HIFRSBDPSA-N 0 3 302.334 1.911 20 5 DDBDHN O=[N+]([O-])c1ccc(CNCCN2CCC(O)CC2)c(Cl)c1 ZINC000294778854 224215575 /nfs/dbraw/zinc/21/55/75/224215575.db2.gz GQDPBPZAXHAZJG-UHFFFAOYSA-N 0 3 313.785 1.795 20 5 DDBDHN CNC(=O)CN1CCC(N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000121794912 195349583 /nfs/dbraw/zinc/34/95/83/195349583.db2.gz AHVULSHNIUHOSJ-GFCCVEGCSA-N 0 3 320.393 1.456 20 5 DDBDHN COc1cccc(C(=O)NCCN2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000569191592 304340009 /nfs/dbraw/zinc/34/00/09/304340009.db2.gz JADXVSBRPYLQNY-NSHDSACASA-N 0 3 307.350 1.675 20 5 DDBDHN CC(COC(=O)CC[C@H](C)NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000497286058 307388739 /nfs/dbraw/zinc/38/87/39/307388739.db2.gz OTCWUQMNVPIWHX-VHSXEESVSA-N 0 3 304.343 1.888 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)N1CCN(CC)CC1 ZINC000360960360 299783220 /nfs/dbraw/zinc/78/32/20/299783220.db2.gz KUBXSIUFUJEOLK-GFCCVEGCSA-N 0 3 324.429 1.558 20 5 DDBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)C2 ZINC000073995312 406899467 /nfs/dbraw/zinc/89/94/67/406899467.db2.gz WLZMRVLRXMVKON-WDEREUQCSA-N 0 3 322.340 1.625 20 5 DDBDHN C[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)CS(C)(=O)=O ZINC000180438383 306694836 /nfs/dbraw/zinc/69/48/36/306694836.db2.gz CLCDQUCPVLTIQT-MNOVXSKESA-N 0 3 300.380 1.926 20 5 DDBDHN CC[C@H](C)[N@H+](C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000067118876 407267343 /nfs/dbraw/zinc/26/73/43/407267343.db2.gz CMEAPEWZXJZZIR-VIFPVBQESA-N 0 3 321.424 1.665 20 5 DDBDHN CC[C@H](C)[N@@H+](C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000067118876 407267344 /nfs/dbraw/zinc/26/73/44/407267344.db2.gz CMEAPEWZXJZZIR-VIFPVBQESA-N 0 3 321.424 1.665 20 5 DDBDHN CC(C)CN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000185501530 407441350 /nfs/dbraw/zinc/44/13/50/407441350.db2.gz QJZTVZNAUVXDSS-UHFFFAOYSA-N 0 3 309.370 1.232 20 5 DDBDHN CC(C)N(CCCS(N)(=O)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000170913951 407555599 /nfs/dbraw/zinc/55/55/99/407555599.db2.gz ZBFZLCWKGHBUPI-UHFFFAOYSA-N 0 3 315.395 1.484 20 5 DDBDHN COCCCN(C)CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000152404830 407628515 /nfs/dbraw/zinc/62/85/15/407628515.db2.gz BDECBPOLLZTWIK-BQYQJAHWSA-N 0 3 321.377 1.693 20 5 DDBDHN COC(=O)C[C@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178873024 407637478 /nfs/dbraw/zinc/63/74/78/407637478.db2.gz ADSHRAPYWOAJGN-OCCSQVGLSA-N 0 3 308.334 1.656 20 5 DDBDHN Cc1sc(C(=O)NC[C@@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000152919417 407716479 /nfs/dbraw/zinc/71/64/79/407716479.db2.gz VMNPCHOUVXAJSF-GFCCVEGCSA-N 0 3 301.368 1.007 20 5 DDBDHN CN(C)[C@]1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000267092302 407747980 /nfs/dbraw/zinc/74/79/80/407747980.db2.gz ITXGEQCKIAZORE-AWEZNQCLSA-N 0 3 309.391 1.762 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCNC[C@H]1c1cccc(F)c1 ZINC000262215204 407766198 /nfs/dbraw/zinc/76/61/98/407766198.db2.gz MBPJDOYXHYSLQC-ZDUSSCGKSA-N 0 3 319.340 1.614 20 5 DDBDHN C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N(C)C ZINC000298301488 286874631 /nfs/dbraw/zinc/87/46/31/286874631.db2.gz BOXVCDSCJAEBRM-VIFPVBQESA-N 0 3 309.322 1.046 20 5 DDBDHN Nc1c(C(=O)N2CC[C@@H](N3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000267245805 407806235 /nfs/dbraw/zinc/80/62/35/407806235.db2.gz JVSBXCOGAMMUFB-GFCCVEGCSA-N 0 3 318.377 1.877 20 5 DDBDHN CN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000153493312 407834192 /nfs/dbraw/zinc/83/41/92/407834192.db2.gz BEQJOTKGWPLPSF-ZDUSSCGKSA-N 0 3 321.377 1.916 20 5 DDBDHN C[C@@H]1NCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000262782432 407927955 /nfs/dbraw/zinc/92/79/55/407927955.db2.gz LSMIWGQSSIFKNY-STQMWFEESA-N 0 3 320.393 1.996 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272577422 407991888 /nfs/dbraw/zinc/99/18/88/407991888.db2.gz GJQORMICQLVFOZ-DOMZBBRYSA-N 0 3 319.361 1.526 20 5 DDBDHN CC[C@@]1(CO)CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000189663938 408073806 /nfs/dbraw/zinc/07/38/06/408073806.db2.gz YFCCRSQYJXZUGB-HNNXBMFYSA-N 0 3 307.350 1.431 20 5 DDBDHN Cc1nn(C)c(C(=O)NC[C@@H](C)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000124288551 161829031 /nfs/dbraw/zinc/82/90/31/161829031.db2.gz AAOZNJCQEQEYTK-LLVKDONJSA-N 0 3 323.397 1.487 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000269333255 408272806 /nfs/dbraw/zinc/27/28/06/408272806.db2.gz AUCGKSRMPUCEEX-MNOVXSKESA-N 0 3 323.397 1.900 20 5 DDBDHN CN(CCOc1ccccc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159724436 408429320 /nfs/dbraw/zinc/42/93/20/408429320.db2.gz CGUGBZVAMQVDMN-UHFFFAOYSA-N 0 3 317.345 1.767 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CN1C1CC1 ZINC000184486910 408628129 /nfs/dbraw/zinc/62/81/29/408628129.db2.gz NHFFPKODVWPKTA-VHSXEESVSA-N 0 3 304.350 1.532 20 5 DDBDHN CN(C)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000177536935 408648741 /nfs/dbraw/zinc/64/87/41/408648741.db2.gz NQTDGHSRCPQENP-CYBMUJFWSA-N 0 3 320.349 1.086 20 5 DDBDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000249542582 408738822 /nfs/dbraw/zinc/73/88/22/408738822.db2.gz FJBBQDJVHUNRMA-BXUZGUMPSA-N 0 3 307.350 1.626 20 5 DDBDHN CCOC(=O)c1ccnc(N(C)CCN(C)C2CC2)c1[N+](=O)[O-] ZINC000184785291 408687831 /nfs/dbraw/zinc/68/78/31/408687831.db2.gz GCMOTBUQRYOJNQ-UHFFFAOYSA-N 0 3 322.365 1.697 20 5 DDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N(C)Cc1ccccc1 ZINC000285845340 408875202 /nfs/dbraw/zinc/87/52/02/408875202.db2.gz HUEHMKNQMVPUBP-LLVKDONJSA-N 0 3 317.349 1.568 20 5 DDBDHN CN(CCCN(C)Cc1ccco1)CCn1cc([N+](=O)[O-])cn1 ZINC000285869851 408880080 /nfs/dbraw/zinc/88/00/80/408880080.db2.gz YWBBXQMQRNSDPH-UHFFFAOYSA-N 0 3 321.381 1.838 20 5 DDBDHN C[C@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000237594388 163382017 /nfs/dbraw/zinc/38/20/17/163382017.db2.gz QLVJZVCGSGUPQH-RYUDHWBXSA-N 0 3 306.366 1.240 20 5 DDBDHN O=C(CNC[C@@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000237888151 163392063 /nfs/dbraw/zinc/39/20/63/163392063.db2.gz CYQITUBWTLOMSZ-ZDUSSCGKSA-N 0 3 305.334 1.253 20 5 DDBDHN C[C@@H](c1ccccc1)[C@@H](NCCn1ccc([N+](=O)[O-])n1)C(N)=O ZINC000292180537 408996077 /nfs/dbraw/zinc/99/60/77/408996077.db2.gz MLOSPINVZFCLBK-SMDDNHRTSA-N 0 3 317.349 1.039 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CO)C1CCCC1 ZINC000289410362 409266571 /nfs/dbraw/zinc/26/65/71/409266571.db2.gz AYVLVHFOPQEKCG-HNNXBMFYSA-N 0 3 321.377 1.982 20 5 DDBDHN COc1cc(NC[C@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000317768843 164028701 /nfs/dbraw/zinc/02/87/01/164028701.db2.gz QKAMYUGUZPNYOR-STQMWFEESA-N 0 3 307.350 1.879 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000295454286 409490311 /nfs/dbraw/zinc/49/03/11/409490311.db2.gz WULLYATUGVUAMH-NSHDSACASA-N 0 3 321.381 1.042 20 5 DDBDHN CCN1CCN([C@H](C)CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000353919337 409563034 /nfs/dbraw/zinc/56/30/34/409563034.db2.gz XTXYHJVFFGYCGO-CYBMUJFWSA-N 0 3 320.393 1.351 20 5 DDBDHN CN(c1nc2sccn2c1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000354079589 409636104 /nfs/dbraw/zinc/63/61/04/409636104.db2.gz IXEXWCJLXITCFO-JTQLQIEISA-N 0 3 307.379 1.977 20 5 DDBDHN Cn1cncc1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331668205 409751652 /nfs/dbraw/zinc/75/16/52/409751652.db2.gz UECADFFZUDNNAJ-CHWSQXEVSA-N 0 3 304.354 1.798 20 5 DDBDHN CCN(CCN1CCCCCC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000346327156 409921091 /nfs/dbraw/zinc/92/10/91/409921091.db2.gz CVWVFEHDNBDYFX-UHFFFAOYSA-N 0 3 309.370 1.656 20 5 DDBDHN C[C@@H](CN1CCCCC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357321529 409975110 /nfs/dbraw/zinc/97/51/10/409975110.db2.gz YUKFEOQFIXUPIS-JTQLQIEISA-N 0 3 307.354 1.375 20 5 DDBDHN Cc1cccc(CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000298236617 410145082 /nfs/dbraw/zinc/14/50/82/410145082.db2.gz IJHGZKDSSORGMO-MRXNPFEDSA-N 0 3 318.377 1.901 20 5 DDBDHN C[C@@H](NCCNC(=O)c1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000346791233 410155908 /nfs/dbraw/zinc/15/59/08/410155908.db2.gz HXDAPITVTYVKMF-LLVKDONJSA-N 0 3 315.333 1.465 20 5 DDBDHN CCN1CC[C@H]2OCCN(Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000339399027 410161523 /nfs/dbraw/zinc/16/15/23/410161523.db2.gz YNBATDFBURBILB-HZPDHXFCSA-N 0 3 305.378 1.890 20 5 DDBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347231568 410404673 /nfs/dbraw/zinc/40/46/73/410404673.db2.gz ROYRXYWWWGKZLH-PHIMTYICSA-N 0 3 309.370 1.321 20 5 DDBDHN CCOC(=O)c1ccnc(N2CCN(C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000348174281 410837055 /nfs/dbraw/zinc/83/70/55/410837055.db2.gz KIPJQQZEKGPNMA-NSHDSACASA-N 0 3 322.365 1.697 20 5 DDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)N1CCC[C@@H](C)C1 ZINC000356150099 410864729 /nfs/dbraw/zinc/86/47/29/410864729.db2.gz HTHWUJYCCXUDRA-GHMZBOCLSA-N 0 3 309.370 1.179 20 5 DDBDHN COC(=O)c1cnc(N2CC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000302792265 410867533 /nfs/dbraw/zinc/86/75/33/410867533.db2.gz ZJJZUQNRHIJLJV-LBPRGKRZSA-N 0 3 320.349 1.451 20 5 DDBDHN C[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000330836110 410897127 /nfs/dbraw/zinc/89/71/27/410897127.db2.gz KMIAPKLTJKLNKR-MBNYWOFBSA-N 0 3 310.350 1.037 20 5 DDBDHN CN(C)CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000348342858 410926148 /nfs/dbraw/zinc/92/61/48/410926148.db2.gz ZQTJFHRLOFTJRM-CQSZACIVSA-N 0 3 303.366 1.569 20 5 DDBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])nn1C)Cc1ccccc1 ZINC000356447183 411035654 /nfs/dbraw/zinc/03/56/54/411035654.db2.gz NLKOQGDHZWSCDN-UHFFFAOYSA-N 0 3 317.349 1.190 20 5 DDBDHN Cc1cc(OCC(=O)NC[C@@H](C)N2CCCC2)ccc1[N+](=O)[O-] ZINC000580691173 422947883 /nfs/dbraw/zinc/94/78/83/422947883.db2.gz CDTDQMINAHGQST-CYBMUJFWSA-N 0 3 321.377 1.883 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)n1 ZINC000191814915 222110348 /nfs/dbraw/zinc/11/03/48/222110348.db2.gz KYURIMWZMSHPGJ-WDEREUQCSA-N 0 3 307.354 1.120 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000375053030 418595654 /nfs/dbraw/zinc/59/56/54/418595654.db2.gz DWUBOMYXJFZFGQ-UKRRQHHQSA-N 0 3 303.362 1.690 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000375053878 418596538 /nfs/dbraw/zinc/59/65/38/418596538.db2.gz IJANSJJBAVLURK-RISCZKNCSA-N 0 3 319.361 1.770 20 5 DDBDHN CNC(=O)C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000361628041 418693824 /nfs/dbraw/zinc/69/38/24/418693824.db2.gz GODGRGXJKIHLCC-AWEZNQCLSA-N 0 3 317.349 1.258 20 5 DDBDHN CCO[C@H]1COCC[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000362009294 418737986 /nfs/dbraw/zinc/73/79/86/418737986.db2.gz APLVABVCAFOGNJ-WFASDCNBSA-N 0 3 310.350 1.757 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000371544171 418799228 /nfs/dbraw/zinc/79/92/28/418799228.db2.gz DPLVYQAWWQXUDN-UKRRQHHQSA-N 0 3 303.362 1.690 20 5 DDBDHN O=[N+]([O-])c1cnc(N2CCCN(C3CCOCC3)CC2)nc1 ZINC000364927608 418823805 /nfs/dbraw/zinc/82/38/05/418823805.db2.gz AGLWPKDCDMBUQG-UHFFFAOYSA-N 0 3 307.354 1.076 20 5 DDBDHN CC[C@@](C)(NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000411391395 418899216 /nfs/dbraw/zinc/89/92/16/418899216.db2.gz OEGHDDVSDWGMDH-CQSZACIVSA-N 0 3 308.338 1.167 20 5 DDBDHN Cc1ccc([C@H](C)NC(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000417853383 419354348 /nfs/dbraw/zinc/35/43/48/419354348.db2.gz PBLGWIDMXPMHOP-LBPRGKRZSA-N 0 3 306.366 1.969 20 5 DDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C[C@H]1CCCN1C ZINC000420993407 419428911 /nfs/dbraw/zinc/42/89/11/419428911.db2.gz ATBYJVMNQOVPLL-SWLSCSKDSA-N 0 3 320.393 1.948 20 5 DDBDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000421237748 419534322 /nfs/dbraw/zinc/53/43/22/419534322.db2.gz LBQFJLADEOKKBT-CYBMUJFWSA-N 0 3 320.349 1.086 20 5 DDBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421761517 419714439 /nfs/dbraw/zinc/71/44/39/419714439.db2.gz IVFVJYPNRBFXOR-UHFFFAOYSA-N 0 3 323.393 1.862 20 5 DDBDHN CC(C)(NC(=O)NC[C@H]1CNCCO1)c1ccccc1[N+](=O)[O-] ZINC000418777865 419980225 /nfs/dbraw/zinc/98/02/25/419980225.db2.gz YXSMNODEDHHKPF-LLVKDONJSA-N 0 3 322.365 1.118 20 5 DDBDHN COc1cc(C(=O)N2C[C@H](C)NC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000423503971 420063391 /nfs/dbraw/zinc/06/33/91/420063391.db2.gz NFRKKDUUSLZMFN-UWVGGRQHSA-N 0 3 307.350 1.734 20 5 DDBDHN CC(C)(NC(=O)C[C@@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000430421852 420120085 /nfs/dbraw/zinc/12/00/85/420120085.db2.gz BIMHDHMOXQFJFJ-CYBMUJFWSA-N 0 3 307.350 1.325 20 5 DDBDHN C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H](N)c1ccccc1 ZINC000423891760 420247431 /nfs/dbraw/zinc/24/74/31/420247431.db2.gz BUURMTVJKPAEPY-FZMZJTMJSA-N 0 3 317.349 1.244 20 5 DDBDHN Cc1cc(NCC2(CC(N)=O)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000420608648 420331181 /nfs/dbraw/zinc/33/11/81/420331181.db2.gz HQMCUDXMHPQPEA-UHFFFAOYSA-N 0 3 314.345 1.941 20 5 DDBDHN COC(=O)CC1CC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000425334712 420355174 /nfs/dbraw/zinc/35/51/74/420355174.db2.gz HAXVVSUAFYQASZ-UHFFFAOYSA-N 0 3 318.333 1.902 20 5 DDBDHN O=C(NC[C@@H]1CNCCO1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000423994077 420296951 /nfs/dbraw/zinc/29/69/51/420296951.db2.gz RYDWJLGWGPXRAG-NSHDSACASA-N 0 3 321.358 1.528 20 5 DDBDHN COc1cccc(C(=O)NCCNc2ccncc2)c1[N+](=O)[O-] ZINC000444754593 230131227 /nfs/dbraw/zinc/13/12/27/230131227.db2.gz UIUNLKRFQJCXAN-UHFFFAOYSA-N 0 3 316.317 1.262 20 5 DDBDHN CNCCN(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000440836995 420611794 /nfs/dbraw/zinc/61/17/94/420611794.db2.gz VWVPIOATRDLRIM-UHFFFAOYSA-N 0 3 307.759 1.088 20 5 DDBDHN O=C(CCN[C@@H](CO)[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000447918603 420819051 /nfs/dbraw/zinc/81/90/51/420819051.db2.gz ZTNNTQHZZBYKID-KBPBESRZSA-N 0 3 323.349 1.053 20 5 DDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@@](O)(CO)C1 ZINC000459727662 420859082 /nfs/dbraw/zinc/85/90/82/420859082.db2.gz RADGWICRIFVNAM-RQPMMQJISA-N 0 3 306.362 1.817 20 5 DDBDHN COc1cc(C(=O)N[C@H]2CNCCC2(F)F)ccc1[N+](=O)[O-] ZINC000449662870 421050668 /nfs/dbraw/zinc/05/06/68/421050668.db2.gz NAKIYYDPDJYDTE-NSHDSACASA-N 0 3 315.276 1.330 20 5 DDBDHN CC(COC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496000999 421116375 /nfs/dbraw/zinc/11/63/75/421116375.db2.gz CZQRUZXOYOFBIV-NXEZZACHSA-N 0 3 304.343 1.698 20 5 DDBDHN Cc1nc(N(CCN(C)C)Cc2ccccn2)ncc1[N+](=O)[O-] ZINC000450393178 421192255 /nfs/dbraw/zinc/19/22/55/421192255.db2.gz PZBJQEIYYLVCEP-UHFFFAOYSA-N 0 3 316.365 1.656 20 5 DDBDHN Cc1nn(CCC(=O)NCCN2CC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000525291736 421285796 /nfs/dbraw/zinc/28/57/96/421285796.db2.gz PMBMTQZXEKMUEH-LLVKDONJSA-N 0 3 323.397 1.256 20 5 DDBDHN CC(COC(=O)[C@]12C[C@H]1CCN2C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000497048221 421356444 /nfs/dbraw/zinc/35/64/44/421356444.db2.gz USMCSPUHOZOSHZ-RULNRJAQSA-N 0 3 314.338 1.594 20 5 DDBDHN CNc1nccc(C(=O)N2CCCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000563375841 421496132 /nfs/dbraw/zinc/49/61/32/421496132.db2.gz FWDPRPRPEOHNHM-UHFFFAOYSA-N 0 3 321.381 1.588 20 5 DDBDHN CN1CCN(C)[C@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563418845 421506719 /nfs/dbraw/zinc/50/67/19/421506719.db2.gz QINQVXDWMRYTBR-IUODEOHRSA-N 0 3 304.394 1.418 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)c1[N+](=O)[O-] ZINC000552418441 421586116 /nfs/dbraw/zinc/58/61/16/421586116.db2.gz ZLXCUFZLTLQXQN-WDEREUQCSA-N 0 3 321.381 1.750 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)c1[N+](=O)[O-] ZINC000552418441 421586118 /nfs/dbraw/zinc/58/61/18/421586118.db2.gz ZLXCUFZLTLQXQN-WDEREUQCSA-N 0 3 321.381 1.750 20 5 DDBDHN CCc1ccccc1[C@@H](N)CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000517356947 421609849 /nfs/dbraw/zinc/60/98/49/421609849.db2.gz UUUGYRIEWNMDGC-AWEZNQCLSA-N 0 3 316.361 1.926 20 5 DDBDHN COC(=O)CCC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000531239810 421627293 /nfs/dbraw/zinc/62/72/93/421627293.db2.gz HDTOTWNOJZVHGL-UHFFFAOYSA-N 0 3 310.354 1.457 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(C)C[C@@H]1CN ZINC000574424180 422107595 /nfs/dbraw/zinc/10/75/95/422107595.db2.gz MTMFTWHEGOXZKP-LBPRGKRZSA-N 0 3 321.381 1.318 20 5 DDBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000578830343 422651268 /nfs/dbraw/zinc/65/12/68/422651268.db2.gz QKYUDYCDRJDMQI-GJZGRUSLSA-N 0 3 323.393 1.489 20 5 DDBDHN CN(C)Cc1cccc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000271462586 263626536 /nfs/dbraw/zinc/62/65/36/263626536.db2.gz XLFHRRWYVAEBLD-UHFFFAOYSA-N 0 3 317.349 1.320 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]2COCC[C@@H]21 ZINC000341583121 271127312 /nfs/dbraw/zinc/12/73/12/271127312.db2.gz UISULLXAWUIHOU-JSGCOSHPSA-N 0 3 307.350 1.257 20 5 DDBDHN CN(C)CCOCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000345969682 272378523 /nfs/dbraw/zinc/37/85/23/272378523.db2.gz WZOXEEUBFRPTDN-UHFFFAOYSA-N 0 3 320.349 1.384 20 5 DDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000347367523 272674218 /nfs/dbraw/zinc/67/42/18/272674218.db2.gz WVGBEEOSICRMHI-LLVKDONJSA-N 0 3 307.354 1.075 20 5 DDBDHN CN(C)[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@H]1O ZINC000450542059 273819745 /nfs/dbraw/zinc/81/97/45/273819745.db2.gz URPUGYQCBBJXHG-KBPBESRZSA-N 0 3 302.334 1.254 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])c(N2CC(N(C)C)C2)cc1Cl ZINC000273346458 274000788 /nfs/dbraw/zinc/00/07/88/274000788.db2.gz UKDFZLQWNNEAQE-UHFFFAOYSA-N 0 3 313.741 1.785 20 5 DDBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@@H]1N(C)C ZINC000270923772 274186589 /nfs/dbraw/zinc/18/65/89/274186589.db2.gz BEKZGSDZRVWLIK-QWRGUYRKSA-N 0 3 323.378 1.613 20 5 DDBDHN C[C@@H](NC(=O)CNC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000151461011 277604312 /nfs/dbraw/zinc/60/43/12/277604312.db2.gz ZGGMPMNXDCDSEH-BXUZGUMPSA-N 0 3 307.350 1.541 20 5 DDBDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000179710525 278242036 /nfs/dbraw/zinc/24/20/36/278242036.db2.gz ODCGDVVUYJLXJR-NSHDSACASA-N 0 3 317.349 1.568 20 5 DDBDHN C[C@@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N(C)C ZINC000279619462 278270154 /nfs/dbraw/zinc/27/01/54/278270154.db2.gz SRZKBPIYVUUZRR-QMMMGPOBSA-N 0 3 317.748 1.996 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCS(=O)(=O)[C@H]1C ZINC000449340362 278298765 /nfs/dbraw/zinc/29/87/65/278298765.db2.gz ODSWBJBNIYSQMO-GVXVVHGQSA-N 0 3 312.391 1.691 20 5 DDBDHN CCN(CCNC(=O)c1cccc(OC)c1[N+](=O)[O-])C1CC1 ZINC000192515150 279205319 /nfs/dbraw/zinc/20/53/19/279205319.db2.gz LUSICSHHCFEUIM-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN C[C@H](NC[C@H]1CC[C@H](C(=O)N(C)C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000091553284 281038513 /nfs/dbraw/zinc/03/85/13/281038513.db2.gz JBWRYHYPIMMCSQ-NILFDRSVSA-N 0 3 321.377 1.881 20 5 DDBDHN C[C@H](NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000246000733 281944233 /nfs/dbraw/zinc/94/42/33/281944233.db2.gz JBWRYHYPIMMCSQ-GLQYFDAESA-N 0 3 321.377 1.881 20 5 DDBDHN COc1c(C(=O)NCC2(N(C)C)CCC2)cccc1[N+](=O)[O-] ZINC000356957172 298925939 /nfs/dbraw/zinc/92/59/39/298925939.db2.gz WMFCWCWMOLNESW-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN COC(=O)C[C@@]1(NCCOc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000362271812 300040683 /nfs/dbraw/zinc/04/06/83/300040683.db2.gz XGJOUUCOFISULP-HNNXBMFYSA-N 0 3 324.333 1.285 20 5 DDBDHN Cc1cc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc([N+](=O)[O-])c1 ZINC000363125566 300215738 /nfs/dbraw/zinc/21/57/38/300215738.db2.gz RFBOOHWYROVARE-DZGCQCFKSA-N 0 3 319.361 1.496 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1C[C@H](F)CN1 ZINC000366464047 300700550 /nfs/dbraw/zinc/70/05/50/300700550.db2.gz SYMAYTTUQWYUOC-UWVGGRQHSA-N 0 3 315.732 1.607 20 5 DDBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[C@H](F)CN1 ZINC000368231661 300982079 /nfs/dbraw/zinc/98/20/79/300982079.db2.gz XWLXULYKPTWYFN-AAEUAGOBSA-N 0 3 324.356 1.603 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]2COC[C@H]21 ZINC000370223569 301297692 /nfs/dbraw/zinc/29/76/92/301297692.db2.gz DHGZITCHKUVJBV-KCQAQPDRSA-N 0 3 322.361 1.445 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000371825248 301503393 /nfs/dbraw/zinc/50/33/93/301503393.db2.gz QTCZJRGJJODYSE-HZPDHXFCSA-N 0 3 305.378 1.939 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000375994950 302021138 /nfs/dbraw/zinc/02/11/38/302021138.db2.gz OJLALPCUDGNNMF-YRGRVCCFSA-N 0 3 308.382 1.844 20 5 DDBDHN O=C([N-]c1ncc(C2CC[NH2+]CC2)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000376072153 302035449 /nfs/dbraw/zinc/03/54/49/302035449.db2.gz YMTZSLAYCLOWSP-UHFFFAOYSA-N 0 3 322.350 1.494 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1[NH3+] ZINC000038050059 302048656 /nfs/dbraw/zinc/04/86/56/302048656.db2.gz VELYGKLLVUEXLO-GHMZBOCLSA-N 0 3 313.379 1.451 20 5 DDBDHN COCCCN1CCCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000377856711 302243599 /nfs/dbraw/zinc/24/35/99/302243599.db2.gz QUFGJMSOANHLTF-UHFFFAOYSA-N 0 3 311.386 1.185 20 5 DDBDHN CN(C)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000514920504 302754403 /nfs/dbraw/zinc/75/44/03/302754403.db2.gz NSEMNXXHLNKSJG-UHFFFAOYSA-N 0 3 316.361 1.925 20 5 DDBDHN CSC[C@@H](O)CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372294467 307167732 /nfs/dbraw/zinc/16/77/32/307167732.db2.gz JNMAYJPFDUZMTI-PWSUYJOCSA-N 0 3 300.384 1.152 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](C[C@H]3CCOC3)C2)n1 ZINC000373142418 307180388 /nfs/dbraw/zinc/18/03/88/307180388.db2.gz TWHLPVPDYYFKIS-ZIAGYGMSSA-N 0 3 308.382 1.930 20 5 DDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000376561814 307247792 /nfs/dbraw/zinc/24/77/92/307247792.db2.gz JVNMMLWPZZGIOK-RISCZKNCSA-N 0 3 304.350 1.689 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)C[C@@H]21 ZINC000376662927 307252308 /nfs/dbraw/zinc/25/23/08/307252308.db2.gz DANQRIJTORCLAL-GWCFXTLKSA-N 0 3 307.325 1.900 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cc3ccccc3[nH]2)c1 ZINC000567681269 308089335 /nfs/dbraw/zinc/08/93/35/308089335.db2.gz OCNINUQHPAFBOP-AWEZNQCLSA-N 0 3 315.333 1.423 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCCc3occc32)c1 ZINC000572952644 308228197 /nfs/dbraw/zinc/22/81/97/308228197.db2.gz BHSWZOSSEVAKCM-DGCLKSJQSA-N 0 3 306.322 1.412 20 5 DDBDHN Cc1n[nH]cc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582355295 326017193 /nfs/dbraw/zinc/01/71/93/326017193.db2.gz FTTHJJAIWXMRMU-GFCCVEGCSA-N 0 3 306.322 1.156 20 5 DDBDHN C[C@@H]1[C@H](CO)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000488736785 484216687 /nfs/dbraw/zinc/21/66/87/484216687.db2.gz QYWDMGOFQQFENW-FRRDWIJNSA-N 0 3 310.350 1.037 20 5 DDBDHN COC(=O)c1ccc(OC[C@@H](O)CN(C)C2CC2)cc1[N+](=O)[O-] ZINC000589583757 490359289 /nfs/dbraw/zinc/35/92/89/490359289.db2.gz UMPARBKBZQQRTN-NSHDSACASA-N 0 3 324.333 1.215 20 5 DDBDHN CCOC(=O)[C@H]1NCC[C@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000422795719 528093770 /nfs/dbraw/zinc/09/37/70/528093770.db2.gz WJFMQIBSNFUSBB-OCCSQVGLSA-N 0 3 307.350 1.021 20 5 DDBDHN CN(C)CCOCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000336862792 535894352 /nfs/dbraw/zinc/89/43/52/535894352.db2.gz LGSMTPSYRWILMY-UHFFFAOYSA-N 0 3 304.350 1.555 20 5 DDBDHN CN1CCC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000746236289 700012792 /nfs/dbraw/zinc/01/27/92/700012792.db2.gz WJJKZIGJLDQAGR-JTQLQIEISA-N 0 3 311.313 1.323 20 5 DDBDHN CC(C)CNC(=O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000746655894 700035689 /nfs/dbraw/zinc/03/56/89/700035689.db2.gz RIJCDTMMWOIWQN-UHFFFAOYSA-N 0 3 323.397 1.276 20 5 DDBDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119746199 696684731 /nfs/dbraw/zinc/68/47/31/696684731.db2.gz UIRVXOJZUVZIDO-VIFPVBQESA-N 0 3 319.408 1.371 20 5 DDBDHN NC(=O)C1(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000776591798 698123771 /nfs/dbraw/zinc/12/37/71/698123771.db2.gz OTFHNCMAPBETFS-CYBMUJFWSA-N 0 3 307.350 1.406 20 5 DDBDHN CC(C)(NC[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000796583597 699940773 /nfs/dbraw/zinc/94/07/73/699940773.db2.gz WWYPMGXVHAPXOL-AWEZNQCLSA-N 0 3 321.377 1.619 20 5 DDBDHN O=c1[nH]ccc2c1CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000755208488 700556224 /nfs/dbraw/zinc/55/62/24/700556224.db2.gz XWKUGUKDHQKDKC-HNNXBMFYSA-N 0 3 315.329 1.787 20 5 DDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000816953655 702237941 /nfs/dbraw/zinc/23/79/41/702237941.db2.gz LOOSPBQXZXQKGV-IAQYHMDHSA-N 0 3 318.377 1.437 20 5 DDBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)[N+](=O)[O-] ZINC000813102047 702291092 /nfs/dbraw/zinc/29/10/92/702291092.db2.gz AGWQFJJNGMFGRN-JSGCOSHPSA-N 0 3 320.345 1.429 20 5 DDBDHN CC(COC(=O)CCOCC(F)(F)C(F)(F)F)[N+](=O)[O-] ZINC000813105244 702293052 /nfs/dbraw/zinc/29/30/52/702293052.db2.gz XBOZIZJNKSBDHI-LURJTMIESA-N 0 3 309.187 1.799 20 5 DDBDHN CC(COC(=O)[C@H]1CCCCN1C(=O)c1ccco1)[N+](=O)[O-] ZINC000813106803 702294041 /nfs/dbraw/zinc/29/40/41/702294041.db2.gz IBMFGZCVYJEDJJ-WDEREUQCSA-N 0 3 310.306 1.483 20 5 DDBDHN CC(COC(=O)[C@H](c1ccccc1)N1CCCCC1=O)[N+](=O)[O-] ZINC000813111644 702297195 /nfs/dbraw/zinc/29/71/95/702297195.db2.gz JSWOHZWJJFWSKV-DOMZBBRYSA-N 0 3 320.345 1.949 20 5 DDBDHN COc1cn(-c2ccccc2)nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813115798 702300375 /nfs/dbraw/zinc/30/03/75/702300375.db2.gz ZUIDZOJLDZYKOI-SNVBAGLBSA-N 0 3 305.290 1.703 20 5 DDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000843455383 702885477 /nfs/dbraw/zinc/88/54/77/702885477.db2.gz NOPPKFNIIJHILP-RKDXNWHRSA-N 0 3 322.321 1.634 20 5 DDBDHN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCN1 ZINC000856486067 704530822 /nfs/dbraw/zinc/53/08/22/704530822.db2.gz VDLYFUZSAOTJGX-ZDUSSCGKSA-N 0 3 322.321 1.573 20 5 DDBDHN CC(C)[C@@H]1CN(C)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823179357 705163365 /nfs/dbraw/zinc/16/33/65/705163365.db2.gz MBSPJRJIJYEQHA-HOTGVXAUSA-N 0 3 307.394 1.900 20 5 DDBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCCN2CCCO)c([N+](=O)[O-])c1 ZINC000828423067 706176695 /nfs/dbraw/zinc/17/66/95/706176695.db2.gz TVHRMFKWRQLFDY-GFCCVEGCSA-N 0 3 324.337 1.762 20 5 DDBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@]1(O)CCc2ccccc21 ZINC000829337406 706320946 /nfs/dbraw/zinc/32/09/46/706320946.db2.gz GTIXNJDWGJTBGY-MRXNPFEDSA-N 0 3 316.361 1.557 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000830015879 706438074 /nfs/dbraw/zinc/43/80/74/706438074.db2.gz GFDYBIMLQOTUNX-XPTSAGLGSA-N 0 3 307.325 1.946 20 5 DDBDHN C[C@@H](NC[C@H](O)COC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000880095341 706877420 /nfs/dbraw/zinc/87/74/20/706877420.db2.gz XWIDHAGSALNVLJ-RDBSUJKOSA-N 0 3 324.377 1.802 20 5 DDBDHN CO[C@@H]1COCC[C@H]1N(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880434018 706974464 /nfs/dbraw/zinc/97/44/64/706974464.db2.gz VOMMNTDVPXIFIM-QLFBSQMISA-N 0 3 310.350 1.364 20 5 DDBDHN Cc1cnc(N2CC[C@@H]3[C@@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC000897221609 708259265 /nfs/dbraw/zinc/25/92/65/708259265.db2.gz NSDXAKLRZJVJLE-OLZOCXBDSA-N 0 3 306.366 1.334 20 5 DDBDHN COc1ccc(CN[C@@H](CO)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000886226911 708719616 /nfs/dbraw/zinc/71/96/16/708719616.db2.gz TWOYEDMONJSYHR-CHWSQXEVSA-N 0 3 310.350 1.623 20 5 DDBDHN C[C@@H]1CN(Cc2ccc(CNCC[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000899869892 709222329 /nfs/dbraw/zinc/22/23/29/709222329.db2.gz JKECPSNXNUPIHT-ZIAGYGMSSA-N 0 3 307.394 1.662 20 5 DDBDHN Cc1nn(CCC(=O)N2CC[C@H](N3CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000912917803 713123549 /nfs/dbraw/zinc/12/35/49/713123549.db2.gz NYLAJTODHGDTRN-ZDUSSCGKSA-N 0 3 321.381 1.105 20 5 DDBDHN C[C@@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])N(C)C ZINC000891755781 710286080 /nfs/dbraw/zinc/28/60/80/710286080.db2.gz KYDHGOOFJYGPHH-JTQLQIEISA-N 0 3 304.350 1.809 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(c3ccncc3CO)CC2)cn1 ZINC000891756011 710286310 /nfs/dbraw/zinc/28/63/10/710286310.db2.gz IJSRPKYSPNUNAC-UHFFFAOYSA-N 0 3 315.333 1.204 20 5 DDBDHN C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CN(C)CCN1C ZINC000895246827 711464639 /nfs/dbraw/zinc/46/46/39/711464639.db2.gz QNLVKDDNNJISRN-IINYFYTJSA-N 0 3 318.381 1.517 20 5 DDBDHN CCN1CCN(c2ccc(CNCC[N+](=O)[O-])cc2F)CC1 ZINC000905096919 711935019 /nfs/dbraw/zinc/93/50/19/711935019.db2.gz MZIWKPDQRIAIMT-UHFFFAOYSA-N 0 3 310.373 1.334 20 5 DDBDHN CCN(CC)CC(=O)N(C)CCN(C)c1ncccc1[N+](=O)[O-] ZINC001105407985 740995919 /nfs/dbraw/zinc/99/59/19/740995919.db2.gz QBMTXSSWYMVWHG-UHFFFAOYSA-N 0 3 323.397 1.226 20 5 DDBDHN CCC(CC)n1ccc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001126936644 742842538 /nfs/dbraw/zinc/84/25/38/742842538.db2.gz OFWRWESUNHTHKY-ZIAGYGMSSA-N 0 3 323.397 1.115 20 5 DDBDHN CC(C)[C@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)c1nncn1C ZINC001181645906 743272187 /nfs/dbraw/zinc/27/21/87/743272187.db2.gz IQAQRRYAHCCTRF-XIVSLSHWSA-N 0 3 319.369 1.610 20 5 DDBDHN COc1cc(CNCCSCCCO)c([N+](=O)[O-])cc1O ZINC001200142512 748148398 /nfs/dbraw/zinc/14/83/98/748148398.db2.gz ZKRWAOIUDLLSKQ-UHFFFAOYSA-N 0 3 316.379 1.514 20 5 DDBDHN CN1CCN(C(=N)Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001168736950 748483476 /nfs/dbraw/zinc/48/34/76/748483476.db2.gz TUMLPEJXCYFYDT-UHFFFAOYSA-N 0 3 314.349 1.737 20 5 DDBDHN COCC1(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CC1 ZINC001131311356 767984491 /nfs/dbraw/zinc/98/44/91/767984491.db2.gz VKOZQCVVCRMVLV-UHFFFAOYSA-N 0 3 307.350 1.227 20 5 DDBDHN COCC1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001131426823 768123382 /nfs/dbraw/zinc/12/33/82/768123382.db2.gz WAIIVJYHOJUEJW-UHFFFAOYSA-N 0 3 321.377 1.617 20 5 DDBDHN C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@@H]1CNCCO1 ZINC001170566127 768167099 /nfs/dbraw/zinc/16/70/99/768167099.db2.gz DRSKMFUZQWPUNG-BONVTDFDSA-N 0 3 302.334 1.932 20 5 DDBDHN C[C@H](Nc1ccnc2c1cccc2[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170566441 768172446 /nfs/dbraw/zinc/17/24/46/768172446.db2.gz ANTHGHFSAJIDBD-HZMBPMFUSA-N 0 3 302.334 1.932 20 5 DDBDHN Cc1conc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001170317635 766248523 /nfs/dbraw/zinc/24/85/23/766248523.db2.gz IMPYPADRRILPMH-UHFFFAOYSA-N 0 3 324.362 1.862 20 5 DDBDHN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(Cc2ccns2)CC1 ZINC001045437670 766306378 /nfs/dbraw/zinc/30/63/78/766306378.db2.gz YDVOYDCRRXOLRR-VXGBXAGGSA-N 0 3 324.406 1.279 20 5 DDBDHN CCc1ncoc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001133584424 770015216 /nfs/dbraw/zinc/01/52/16/770015216.db2.gz UYNCTLJDVGCGFK-UHFFFAOYSA-N 0 3 318.333 1.665 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC001135656942 771632647 /nfs/dbraw/zinc/63/26/47/771632647.db2.gz ZSOHOSZMWMBZCO-UHFFFAOYSA-N 0 3 306.347 1.571 20 5 DDBDHN CCn1cnc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001148033547 773340076 /nfs/dbraw/zinc/34/00/76/773340076.db2.gz UXWYVDHIDLXBSH-UHFFFAOYSA-N 0 3 317.349 1.331 20 5 DDBDHN CCN(CC)CC(=O)NCCNc1nccc(C)c1[N+](=O)[O-] ZINC001093646529 774946628 /nfs/dbraw/zinc/94/66/28/774946628.db2.gz DQYACCIORPIPAV-UHFFFAOYSA-N 0 3 309.370 1.168 20 5 DDBDHN CN(C)C1(C(=O)NCCCNc2ccc([N+](=O)[O-])cn2)CCC1 ZINC001094621554 776142459 /nfs/dbraw/zinc/14/24/59/776142459.db2.gz DQZUDMZPXKOHBS-UHFFFAOYSA-N 0 3 321.381 1.392 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N[C@H]1C=CS(=O)(=O)C1)CC2 ZINC001172899751 776915145 /nfs/dbraw/zinc/91/51/45/776915145.db2.gz PCUYOEZYKVUONR-KGLIPLIRSA-N 0 3 322.386 1.743 20 5 DDBDHN CC(C)N(C)CC(=O)N(C)CCNc1ccccc1[N+](=O)[O-] ZINC001101657547 777352595 /nfs/dbraw/zinc/35/25/95/777352595.db2.gz CUCYMJSFOATKMH-UHFFFAOYSA-N 0 3 308.382 1.805 20 5 DDBDHN Cc1cc(NCCN(C)C(=O)CN(C)C(C)C)ncc1[N+](=O)[O-] ZINC001101657572 777352951 /nfs/dbraw/zinc/35/29/51/777352951.db2.gz DUYOMWARAXNOIR-UHFFFAOYSA-N 0 3 323.397 1.509 20 5 DDBDHN CCC1(CC)CNC(=O)[C@@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001176454026 778153235 /nfs/dbraw/zinc/15/32/35/778153235.db2.gz YETDAIOOQVMTAE-KGLIPLIRSA-N 0 3 321.377 1.523 20 5 DDBDHN COc1ncnc(-n2c3ccccc3nc2[C@H](C)N)c1[N+](=O)[O-] ZINC001155254742 861900317 /nfs/dbraw/zinc/90/03/17/861900317.db2.gz NZEQMNQBAZNDOS-QMMMGPOBSA-N 0 3 314.305 1.752 20 5 DDBDHN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC001121931898 858638516 /nfs/dbraw/zinc/63/85/16/858638516.db2.gz TVHKSQRTXKKURK-BAESOJJISA-N 0 3 303.362 1.907 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC001122492167 858850713 /nfs/dbraw/zinc/85/07/13/858850713.db2.gz HIUSTPUWUHQPAD-UHFFFAOYSA-N 0 3 307.350 1.227 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCN(C2CCC2)C1 ZINC001161176206 859944839 /nfs/dbraw/zinc/94/48/39/859944839.db2.gz SZOUPKKMLWWOCT-JTQLQIEISA-N 0 3 320.349 1.815 20 5 DDBDHN CCCN1CC[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001329416372 863654253 /nfs/dbraw/zinc/65/42/53/863654253.db2.gz LLEKPUMEEMDPAA-GXTWGEPZSA-N 0 3 307.350 1.229 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC001154108547 864414310 /nfs/dbraw/zinc/41/43/10/864414310.db2.gz FNTPGGXAUBTJOR-UHFFFAOYSA-N 0 3 321.377 1.617 20 5 DDBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC[C@@H]1Cc2ccccc2CN1 ZINC001163274371 868295793 /nfs/dbraw/zinc/29/57/93/868295793.db2.gz NZLXJJBHPREWNJ-AWEZNQCLSA-N 0 3 314.345 1.663 20 5 DDBDHN N[C@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C[C@@H]1F ZINC001165121785 869390589 /nfs/dbraw/zinc/39/05/89/869390589.db2.gz WPQZCQVIZJRBQQ-BQBZGAKWSA-N 0 3 310.663 1.674 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@H]2NCCO[C@H]2C1 ZINC001165270425 869481877 /nfs/dbraw/zinc/48/18/77/869481877.db2.gz FDNYJMNGHKFRMY-JSGCOSHPSA-N 0 3 315.333 1.105 20 5 DDBDHN N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC001340659560 871264964 /nfs/dbraw/zinc/26/49/64/871264964.db2.gz HDWDBSGBOPZFHI-REWJHTLYSA-N 0 3 307.325 1.596 20 5 DDBDHN COc1ccc(NC(=O)CCN2CC=C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001308033123 871461022 /nfs/dbraw/zinc/46/10/22/871461022.db2.gz LMKWLZUHFXJTMY-NSHDSACASA-N 0 3 321.333 1.165 20 5 DDBDHN CN(C)CCONC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001347775234 874270284 /nfs/dbraw/zinc/27/02/84/874270284.db2.gz JMTYYNFWPORSFP-UHFFFAOYSA-N 0 3 322.365 1.418 20 5 DDBDHN COCCC(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001231010924 885133085 /nfs/dbraw/zinc/13/30/85/885133085.db2.gz UOJZSLBGEZMTKT-UHFFFAOYSA-N 0 3 309.366 1.569 20 5 DDBDHN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(O[C@H]2CCN(C(C)C)C2)n1 ZINC001234910144 888247155 /nfs/dbraw/zinc/24/71/55/888247155.db2.gz MOLWHZHOCWYXPE-NSHDSACASA-N 0 3 323.353 1.513 20 5 DDBDHN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(OC2CCN(C)CC2)n1 ZINC001234919939 888248113 /nfs/dbraw/zinc/24/81/13/888248113.db2.gz GFRZHNHRUWUSME-UHFFFAOYSA-N 0 3 309.326 1.125 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)n1 ZINC000248668918 282098054 /nfs/dbraw/zinc/09/80/54/282098054.db2.gz PDMPXYUYXRYKGZ-MNOVXSKESA-N 0 3 309.370 1.223 20 5 DDBDHN C[C@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000278770459 214388172 /nfs/dbraw/zinc/38/81/72/214388172.db2.gz XVMYURDGSUSPBS-ZDUSSCGKSA-N 0 3 321.377 1.826 20 5 DDBDHN C[C@H](NC(=O)[C@H]1CN2CCN1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000452184213 231327986 /nfs/dbraw/zinc/32/79/86/231327986.db2.gz RFGYLYCKLAEGKR-SWLSCSKDSA-N 0 3 318.377 1.162 20 5 DDBDHN CN(C)c1ncc(CNCCc2cccc([N+](=O)[O-])c2)n1C ZINC000414365635 529809438 /nfs/dbraw/zinc/80/94/38/529809438.db2.gz MMPQWYKVRSUXTL-UHFFFAOYSA-N 0 3 303.366 1.727 20 5 DDBDHN CC1(C)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000279708062 215079440 /nfs/dbraw/zinc/07/94/40/215079440.db2.gz HRPSJSAVIJIJMO-OCCSQVGLSA-N 0 3 310.350 1.037 20 5 DDBDHN CC[C@]1(NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCOC1 ZINC000616865655 362853345 /nfs/dbraw/zinc/85/33/45/362853345.db2.gz ZYCRCCXTQFHSNZ-HNNXBMFYSA-N 0 3 323.349 1.701 20 5 DDBDHN C[C@@H]1CN(c2ccncc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000343425657 282661186 /nfs/dbraw/zinc/66/11/86/282661186.db2.gz LOMMRCJCGHTIIF-ZIAGYGMSSA-N 0 3 319.409 1.452 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN[C@@H](CCCO)c2ccccc2)n1 ZINC000179727747 186210700 /nfs/dbraw/zinc/21/07/00/186210700.db2.gz WDCQIDNYMYLGMC-AWEZNQCLSA-N 0 3 304.350 1.895 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](O)C1 ZINC000041886271 352317421 /nfs/dbraw/zinc/31/74/21/352317421.db2.gz KXTQGDIXDZKNRI-CYBMUJFWSA-N 0 3 307.350 1.689 20 5 DDBDHN CC1CCN(CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000054779479 352703799 /nfs/dbraw/zinc/70/37/99/352703799.db2.gz ZSIHMVGPYOSAHM-UHFFFAOYSA-N 0 3 306.366 1.639 20 5 DDBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000491561348 234204644 /nfs/dbraw/zinc/20/46/44/234204644.db2.gz JRXKHSIFJNDSNL-UJYKQDJBSA-N 0 3 301.346 1.961 20 5 DDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000064334047 352933720 /nfs/dbraw/zinc/93/37/20/352933720.db2.gz YZGJWVLRKDKTSD-RYUDHWBXSA-N 0 3 305.334 1.188 20 5 DDBDHN CNc1ccc(C(=O)NC[C@@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000075578238 353368593 /nfs/dbraw/zinc/36/85/93/353368593.db2.gz CSAMOGBXVWTENF-SNVBAGLBSA-N 0 3 306.366 1.849 20 5 DDBDHN CCc1nn(C)c(NC2CCN([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000091744564 353835912 /nfs/dbraw/zinc/83/59/12/353835912.db2.gz UGUICOHRSNAADD-GFCCVEGCSA-N 0 3 323.397 1.556 20 5 DDBDHN C[C@H]1CCC[C@H](C)N1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357244417 291030216 /nfs/dbraw/zinc/03/02/16/291030216.db2.gz ZZUAFFIVDWGYHY-QWRGUYRKSA-N 0 3 321.381 1.764 20 5 DDBDHN CN(CCc1ccccc1[N+](=O)[O-])CCn1ccccc1=O ZINC000586773416 354863687 /nfs/dbraw/zinc/86/36/87/354863687.db2.gz UCFMUNBFYOUJRD-UHFFFAOYSA-N 0 3 301.346 1.931 20 5 DDBDHN COc1ccc(OCCN2CC[C@H]3CN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000590010310 355038959 /nfs/dbraw/zinc/03/89/59/355038959.db2.gz AUZNHXZRCRARHM-SWLSCSKDSA-N 0 3 321.377 1.618 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000590443745 355097435 /nfs/dbraw/zinc/09/74/35/355097435.db2.gz GYHRDEWGBRZYHY-ZWNOBZJWSA-N 0 3 305.334 1.380 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000590445617 355098808 /nfs/dbraw/zinc/09/88/08/355098808.db2.gz QZZRWDQHDMEHRP-CABZTGNLSA-N 0 3 319.317 1.100 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCN2CCNC[C@@H]2C(F)F)cc1 ZINC000592488622 355596925 /nfs/dbraw/zinc/59/69/25/355596925.db2.gz WDOYJSXFMQOOGA-GFCCVEGCSA-N 0 3 301.293 1.513 20 5 DDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000592523769 355611844 /nfs/dbraw/zinc/61/18/44/355611844.db2.gz BJHYJOLYUQYSMX-LBPRGKRZSA-N 0 3 306.366 1.147 20 5 DDBDHN COc1ccc(CNCC(C)(C)[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000592374774 355569449 /nfs/dbraw/zinc/56/94/49/355569449.db2.gz IPPUBAUNJSAOPF-MRXNPFEDSA-N 0 3 324.377 1.871 20 5 DDBDHN Cc1c(CNC(=O)N[C@@H](CN)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000594525888 356242994 /nfs/dbraw/zinc/24/29/94/356242994.db2.gz XVYNBPSRROFIHD-JTQLQIEISA-N 0 3 320.271 1.592 20 5 DDBDHN CCNC(=O)N1CC[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000565215528 304054148 /nfs/dbraw/zinc/05/41/48/304054148.db2.gz BDVNASIAICEPDM-SMDDNHRTSA-N 0 3 318.377 1.976 20 5 DDBDHN CCCN1CC[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595470276 356506143 /nfs/dbraw/zinc/50/61/43/356506143.db2.gz SWJNAMGGXBDCDT-AWEZNQCLSA-N 0 3 320.393 1.921 20 5 DDBDHN C[C@H](N[C@@H]1C[C@@H](O)C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595779213 356649039 /nfs/dbraw/zinc/64/90/39/356649039.db2.gz APXJTVPARBEPQN-ZLKJLUDKSA-N 0 3 319.361 1.815 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597093744 357059675 /nfs/dbraw/zinc/05/96/75/357059675.db2.gz WYPQWKDUYJQESQ-ZETCQYMHSA-N 0 3 315.761 1.902 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@]3(CCN(C)C3)C2)n1 ZINC000597710894 357297516 /nfs/dbraw/zinc/29/75/16/357297516.db2.gz PWZLBWNIGXGYAN-OAHLLOKOSA-N 0 3 321.381 1.369 20 5 DDBDHN CC(C)(C)N1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000597924830 357384422 /nfs/dbraw/zinc/38/44/22/357384422.db2.gz LERFMYCKFFWOJZ-JTQLQIEISA-N 0 3 324.356 1.919 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)CNCC2 ZINC000565362014 304065096 /nfs/dbraw/zinc/06/50/96/304065096.db2.gz OCVJZLJDWAQIIX-UHFFFAOYSA-N 0 3 301.306 1.226 20 5 DDBDHN COC(=O)c1ccnc(N[C@@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000598600360 357648529 /nfs/dbraw/zinc/64/85/29/357648529.db2.gz AVUSQFCIORDKOK-VHSXEESVSA-N 0 3 320.349 1.814 20 5 DDBDHN CCCN1CC[C@H](Nc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598632778 357662630 /nfs/dbraw/zinc/66/26/30/357662630.db2.gz AVHCHJVHDCCVPJ-JTQLQIEISA-N 0 3 308.338 1.673 20 5 DDBDHN O=[N+]([O-])c1cccc2c(NCCN3CC[C@@H](O)C3)ccnc21 ZINC000599175508 357840553 /nfs/dbraw/zinc/84/05/53/357840553.db2.gz DJRZHSQNWOPLFW-LLVKDONJSA-N 0 3 302.334 1.622 20 5 DDBDHN CCOC(=O)C[C@@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000599412830 357925423 /nfs/dbraw/zinc/92/54/23/357925423.db2.gz OWWAEGBLIQTIMQ-CYBMUJFWSA-N 0 3 310.350 1.383 20 5 DDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1c[nH]nn1 ZINC000600176528 358147295 /nfs/dbraw/zinc/14/72/95/358147295.db2.gz IVXOAGDLPYJVDX-SECBINFHSA-N 0 3 304.310 1.220 20 5 DDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000600472265 358233484 /nfs/dbraw/zinc/23/34/84/358233484.db2.gz NMEXCWXHZFUUAV-LBPRGKRZSA-N 0 3 318.377 1.924 20 5 DDBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCNCC1 ZINC000237355884 202243168 /nfs/dbraw/zinc/24/31/68/202243168.db2.gz WKTYUVXAHYVQAK-LLVKDONJSA-N 0 3 309.391 1.897 20 5 DDBDHN CN(C[C@@H]1CCCN1C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601175891 358433795 /nfs/dbraw/zinc/43/37/95/358433795.db2.gz RJFRCSYSFSARAW-QMMMGPOBSA-N 0 3 321.303 1.878 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000602801075 359201416 /nfs/dbraw/zinc/20/14/16/359201416.db2.gz LFFDODLLVLXTAS-STQMWFEESA-N 0 3 310.398 1.829 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000602957756 359321733 /nfs/dbraw/zinc/32/17/33/359321733.db2.gz PQZMTIJVSZGBKZ-LBPRGKRZSA-N 0 3 321.381 1.526 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000602959327 359323007 /nfs/dbraw/zinc/32/30/07/359323007.db2.gz SUJPMPJAUBQYMH-NWDGAFQWSA-N 0 3 321.381 1.667 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000602958986 359323216 /nfs/dbraw/zinc/32/32/16/359323216.db2.gz RZEMTHGZUMNFPU-LBPRGKRZSA-N 0 3 319.365 1.422 20 5 DDBDHN C[C@@]1(O)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000189072010 200343969 /nfs/dbraw/zinc/34/39/69/200343969.db2.gz ZOATZZNGEBCZKP-CQSZACIVSA-N 0 3 311.313 1.519 20 5 DDBDHN COc1ccc(C(=O)N[C@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000609383096 360302529 /nfs/dbraw/zinc/30/25/29/360302529.db2.gz IZNVBMPHZPZDAV-ZDUSSCGKSA-N 0 3 319.361 1.818 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN(CCCO)C2CC2)c1 ZINC000609848231 360356003 /nfs/dbraw/zinc/35/60/03/360356003.db2.gz MPJGUSOVMNTSKN-CQSZACIVSA-N 0 3 310.350 1.181 20 5 DDBDHN CC[C@@H](CN1CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000610522156 360459487 /nfs/dbraw/zinc/45/94/87/360459487.db2.gz XVXKFIGALQLMFZ-NSHDSACASA-N 0 3 306.366 1.781 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CCCC[C@H]2CN(C)C)c1[N+](=O)[O-] ZINC000610922099 360572190 /nfs/dbraw/zinc/57/21/90/360572190.db2.gz ANARYLPPRVJBAZ-NSHDSACASA-N 0 3 323.397 1.998 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CCCC[C@H]2CN(C)C)c1[N+](=O)[O-] ZINC000610922099 360572198 /nfs/dbraw/zinc/57/21/98/360572198.db2.gz ANARYLPPRVJBAZ-NSHDSACASA-N 0 3 323.397 1.998 20 5 DDBDHN CN(C)C1(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000275504063 212377974 /nfs/dbraw/zinc/37/79/74/212377974.db2.gz RKPGYLONRXEAQO-UHFFFAOYSA-N 0 3 320.393 1.921 20 5 DDBDHN C[C@@H](NC(=O)C[C@H]1CSCCN1)c1cccc([N+](=O)[O-])c1 ZINC000091135441 193001918 /nfs/dbraw/zinc/00/19/18/193001918.db2.gz KDNRZEQWCOKVOO-PWSUYJOCSA-N 0 3 309.391 1.867 20 5 DDBDHN COCCN(CCN(C)C)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000566273016 304136418 /nfs/dbraw/zinc/13/64/18/304136418.db2.gz RSXPDVSPMWFBRF-UHFFFAOYSA-N 0 3 309.366 1.553 20 5 DDBDHN C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000275146979 212150577 /nfs/dbraw/zinc/15/05/77/212150577.db2.gz FWMSQWSHANNJJM-MFKMUULPSA-N 0 3 306.322 1.408 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CC3=CCCOC3)C2)nc1 ZINC000093534726 193266607 /nfs/dbraw/zinc/26/66/07/193266607.db2.gz YRXHSAWVDPWVEX-ZDUSSCGKSA-N 0 3 304.350 1.823 20 5 DDBDHN CCCc1n[n-]c(C(=O)NCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000264658927 204059314 /nfs/dbraw/zinc/05/93/14/204059314.db2.gz HTLUXMCQMZXWBQ-UHFFFAOYSA-N 0 3 306.326 1.205 20 5 DDBDHN COCCN(C)CCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271739693 209171344 /nfs/dbraw/zinc/17/13/44/209171344.db2.gz WBGYIAIZVOOHLF-GFCCVEGCSA-N 0 3 324.381 1.533 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)CN(C)C ZINC000288235624 220035386 /nfs/dbraw/zinc/03/53/86/220035386.db2.gz RWCMCBJDUIKQJL-JTQLQIEISA-N 0 3 322.365 1.216 20 5 DDBDHN CN(CCc1cccc([N+](=O)[O-])c1)CCn1ccc([N+](=O)[O-])n1 ZINC000282508105 217050294 /nfs/dbraw/zinc/05/02/94/217050294.db2.gz RPXMNJLAYFTRHZ-UHFFFAOYSA-N 0 3 319.321 1.874 20 5 DDBDHN C[C@@H](CO)[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000274125282 211377452 /nfs/dbraw/zinc/37/74/52/211377452.db2.gz XNRVQAJXJBXDSL-DTWKUNHWSA-N 0 3 315.757 1.793 20 5 DDBDHN COCCN(CCN(C)C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000104970024 194060430 /nfs/dbraw/zinc/06/04/30/194060430.db2.gz FJDVGGPKQOLBAY-UHFFFAOYSA-N 0 3 324.381 1.945 20 5 DDBDHN CN(C)[C@@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000105199254 194083983 /nfs/dbraw/zinc/08/39/83/194083983.db2.gz DRIGKLPHMIXJLG-CQSZACIVSA-N 0 3 306.366 1.830 20 5 DDBDHN CN(C)CC[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000352107487 284788107 /nfs/dbraw/zinc/78/81/07/284788107.db2.gz QJVRAQWAWAWXRM-AWEZNQCLSA-N 0 3 313.329 1.166 20 5 DDBDHN Cc1ccc(C(=O)NC[C@@](C)(O)CCN(C)C)cc1[N+](=O)[O-] ZINC000352119995 284799238 /nfs/dbraw/zinc/79/92/38/284799238.db2.gz HOODCGODBCBAPH-HNNXBMFYSA-N 0 3 309.366 1.336 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1CCS(=O)(=O)C1)CCC2 ZINC000278354974 285145188 /nfs/dbraw/zinc/14/51/88/285145188.db2.gz ZRIGKXQSKBSKEY-XHDPSFHLSA-N 0 3 324.402 1.997 20 5 DDBDHN C[C@H](NC[C@@H](O)C1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294686983 224167587 /nfs/dbraw/zinc/16/75/87/224167587.db2.gz IJQJHJDDHTTYCH-ZUZCIYMTSA-N 0 3 309.366 1.615 20 5 DDBDHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000289671717 221144390 /nfs/dbraw/zinc/14/43/90/221144390.db2.gz UVIRLTGVXZBWCR-LLVKDONJSA-N 0 3 315.395 1.602 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H](O)Cn1ccnn1)CCC2 ZINC000414199933 224311456 /nfs/dbraw/zinc/31/14/56/224311456.db2.gz XBZXGUCBVKUGHF-DZGCQCFKSA-N 0 3 317.349 1.214 20 5 DDBDHN C[C@H]1CCN[C@@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000570035723 304391219 /nfs/dbraw/zinc/39/12/19/304391219.db2.gz OLLAPTWTLWHMSI-SMDDNHRTSA-N 0 3 307.350 1.478 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000053254431 407164953 /nfs/dbraw/zinc/16/49/53/407164953.db2.gz FVZAJHOMDQUILK-QMMMGPOBSA-N 0 3 319.770 1.279 20 5 DDBDHN C[C@H](CN1CCCCC1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102331060 407321525 /nfs/dbraw/zinc/32/15/25/407321525.db2.gz WIBHGJOUXMEMTK-GFCCVEGCSA-N 0 3 323.397 1.517 20 5 DDBDHN Cc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)c(CN(C)C)c1 ZINC000122418669 407300665 /nfs/dbraw/zinc/30/06/65/407300665.db2.gz DDRUWANZKSZZPI-UHFFFAOYSA-N 0 3 317.349 1.951 20 5 DDBDHN CN(C[C@@H]1CCN(C)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000104747483 407351795 /nfs/dbraw/zinc/35/17/95/407351795.db2.gz SZGLRKYDHLVHDU-LLVKDONJSA-N 0 3 313.379 1.167 20 5 DDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124657097 407365753 /nfs/dbraw/zinc/36/57/53/407365753.db2.gz QQFZDHFRQCDQDG-NSHDSACASA-N 0 3 307.354 1.795 20 5 DDBDHN CN1CCC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000108341542 407384878 /nfs/dbraw/zinc/38/48/78/407384878.db2.gz GJQQWLLMPAUIDF-LBPRGKRZSA-N 0 3 307.350 1.432 20 5 DDBDHN CN1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000271063463 407493127 /nfs/dbraw/zinc/49/31/27/407493127.db2.gz TUTUCRVLOMYTLN-CQSZACIVSA-N 0 3 323.393 1.361 20 5 DDBDHN CCN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000112918419 407447000 /nfs/dbraw/zinc/44/70/00/407447000.db2.gz DJJSTHAGTGCSFU-UHFFFAOYSA-N 0 3 320.393 1.271 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000271001298 407462743 /nfs/dbraw/zinc/46/27/43/407462743.db2.gz LQDABOBDYCBZQC-NSHDSACASA-N 0 3 323.397 1.288 20 5 DDBDHN C[C@@H](O)C[C@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000153191978 407774026 /nfs/dbraw/zinc/77/40/26/407774026.db2.gz WWPGNGLGERCYGL-ZWNOBZJWSA-N 0 3 307.350 1.429 20 5 DDBDHN C[C@H](NCC1(C(N)=O)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000153202552 407775312 /nfs/dbraw/zinc/77/53/12/407775312.db2.gz FQVUTIMMMLKRAM-NSHDSACASA-N 0 3 307.350 1.528 20 5 DDBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCC[C@H](N2CCCC2)C1 ZINC000153670213 407873165 /nfs/dbraw/zinc/87/31/65/407873165.db2.gz NGBBIDHWLUGIHK-NSHDSACASA-N 0 3 307.354 1.408 20 5 DDBDHN CCN(C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268267073 407980444 /nfs/dbraw/zinc/98/04/44/407980444.db2.gz VYHAHPSRJSOCGV-UHFFFAOYSA-N 0 3 314.773 1.999 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000268276225 407982028 /nfs/dbraw/zinc/98/20/28/407982028.db2.gz WGHODFVLYIRGOD-NHYWBVRUSA-N 0 3 303.362 1.736 20 5 DDBDHN CN1CCC[C@@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181663503 408024711 /nfs/dbraw/zinc/02/47/11/408024711.db2.gz NLAFWVDQLQAKAA-JTQLQIEISA-N 0 3 321.333 1.395 20 5 DDBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCN1CC(C)(C)O ZINC000189876854 408126449 /nfs/dbraw/zinc/12/64/49/408126449.db2.gz IFWHNSMIVFVGIJ-ZDUSSCGKSA-N 0 3 307.394 1.872 20 5 DDBDHN Cc1nn(CCC(=O)N2CCNC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000175420188 408128781 /nfs/dbraw/zinc/12/87/81/408128781.db2.gz LXIKPMOVSLBUTF-UHFFFAOYSA-N 0 3 309.370 1.009 20 5 DDBDHN COc1ccc([C@@H](CO)N(C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176243423 408321811 /nfs/dbraw/zinc/32/18/11/408321811.db2.gz DTEQQFHKMMYYSI-CQSZACIVSA-N 0 3 320.349 1.465 20 5 DDBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc([N+](=O)[O-])c1N)C2 ZINC000177006782 408495110 /nfs/dbraw/zinc/49/51/10/408495110.db2.gz ZJLWCNGZJSSHQY-WDEREUQCSA-N 0 3 304.350 1.486 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000177133907 408530273 /nfs/dbraw/zinc/53/02/73/408530273.db2.gz FNIMYLZJIQDGDJ-NWDGAFQWSA-N 0 3 319.361 1.715 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000177154598 408536485 /nfs/dbraw/zinc/53/64/85/408536485.db2.gz XZBJJXOBUOCYFP-GXSJLCMTSA-N 0 3 304.350 1.532 20 5 DDBDHN COCCN1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000274802680 408538809 /nfs/dbraw/zinc/53/88/09/408538809.db2.gz KVKVASOYUOJXAR-CYBMUJFWSA-N 0 3 322.365 1.745 20 5 DDBDHN C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N1CCC[C@H](C)C1 ZINC000162085752 408669423 /nfs/dbraw/zinc/66/94/23/408669423.db2.gz DGUGWEBIWSYPPM-QWRGUYRKSA-N 0 3 309.370 1.179 20 5 DDBDHN C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249550063 408740479 /nfs/dbraw/zinc/74/04/79/408740479.db2.gz HPDTXANIZJCYTP-BXUZGUMPSA-N 0 3 307.350 1.626 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN(CCO)C2CCC2)c1 ZINC000275801256 408683114 /nfs/dbraw/zinc/68/31/14/408683114.db2.gz GFYKAQXAXLMCLJ-AWEZNQCLSA-N 0 3 310.350 1.181 20 5 DDBDHN CCOC(=O)[C@@]1(C(C)C)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000194856067 408800963 /nfs/dbraw/zinc/80/09/63/408800963.db2.gz CTYSKZMVCOZWDY-HNNXBMFYSA-N 0 3 324.381 1.703 20 5 DDBDHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000185215760 408781229 /nfs/dbraw/zinc/78/12/29/408781229.db2.gz UYTKYHJSMOFMBR-SNVBAGLBSA-N 0 3 307.354 1.128 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000277567932 408966191 /nfs/dbraw/zinc/96/61/91/408966191.db2.gz KWUKJXAVIGEOEJ-GHMZBOCLSA-N 0 3 319.361 1.958 20 5 DDBDHN Cn1cc([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2CO)cn1 ZINC000277795428 409012575 /nfs/dbraw/zinc/01/25/75/409012575.db2.gz OXEMMTOYRLKHDZ-HOCLYGCPSA-N 0 3 316.361 1.536 20 5 DDBDHN C[N@H+](CCCOC([O-])=NC(N)=O)CCc1cccc([N+](=O)[O-])c1 ZINC000282383962 409045453 /nfs/dbraw/zinc/04/54/53/409045453.db2.gz GEYRYGFGOYMGMS-UHFFFAOYSA-N 0 3 324.337 1.264 20 5 DDBDHN C[N@@H+](CCCOC([O-])=NC(N)=O)CCc1cccc([N+](=O)[O-])c1 ZINC000282383962 409045458 /nfs/dbraw/zinc/04/54/58/409045458.db2.gz GEYRYGFGOYMGMS-UHFFFAOYSA-N 0 3 324.337 1.264 20 5 DDBDHN C[N@H+](CCCOC(=O)N=C(N)[O-])CCc1cccc([N+](=O)[O-])c1 ZINC000282383962 409045461 /nfs/dbraw/zinc/04/54/61/409045461.db2.gz GEYRYGFGOYMGMS-UHFFFAOYSA-N 0 3 324.337 1.264 20 5 DDBDHN C[N@@H+](CCCOC(=O)N=C(N)[O-])CCc1cccc([N+](=O)[O-])c1 ZINC000282383962 409045464 /nfs/dbraw/zinc/04/54/64/409045464.db2.gz GEYRYGFGOYMGMS-UHFFFAOYSA-N 0 3 324.337 1.264 20 5 DDBDHN C[C@H](NCCN1CCSCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293670320 409158384 /nfs/dbraw/zinc/15/83/84/409158384.db2.gz JSRAGUSUXOTQFV-NSHDSACASA-N 0 3 310.423 1.876 20 5 DDBDHN CCN1CCC(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000283558319 409176514 /nfs/dbraw/zinc/17/65/14/409176514.db2.gz UOJZKWWZCJGPAX-UHFFFAOYSA-N 0 3 310.329 1.530 20 5 DDBDHN Cc1c(C(=O)Nc2ccnn2CCN(C)C)cccc1[N+](=O)[O-] ZINC000293921116 409206372 /nfs/dbraw/zinc/20/63/72/409206372.db2.gz AZUXRALKSIBXOJ-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN CNC(=O)[C@@]1(C)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000280721293 409424996 /nfs/dbraw/zinc/42/49/96/409424996.db2.gz IAYJDADTFAWPQV-ZFWWWQNUSA-N 0 3 307.350 1.086 20 5 DDBDHN CNc1c(C(=O)NCC2(N(C)C)CCC2)cccc1[N+](=O)[O-] ZINC000318680119 164032603 /nfs/dbraw/zinc/03/26/03/164032603.db2.gz MOKWLDZGUVVZOW-UHFFFAOYSA-N 0 3 306.366 1.851 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000331533976 409611111 /nfs/dbraw/zinc/61/11/11/409611111.db2.gz POWVGFFLXBATOO-RNCFNFMXSA-N 0 3 307.325 1.946 20 5 DDBDHN COc1cc(C(=O)NCCNc2ccncc2)ccc1[N+](=O)[O-] ZINC000338050988 409678985 /nfs/dbraw/zinc/67/89/85/409678985.db2.gz CFAUYLHTIGQYRW-UHFFFAOYSA-N 0 3 316.317 1.262 20 5 DDBDHN Cn1cncc1CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331668211 409751109 /nfs/dbraw/zinc/75/11/09/409751109.db2.gz UECADFFZUDNNAJ-STQMWFEESA-N 0 3 304.354 1.798 20 5 DDBDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357038011 409810484 /nfs/dbraw/zinc/81/04/84/409810484.db2.gz MXMJGVPQAQTVDH-MNOVXSKESA-N 0 3 307.354 1.027 20 5 DDBDHN CN(C(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000354479353 409882991 /nfs/dbraw/zinc/88/29/91/409882991.db2.gz NQKIWLYTLJJYEW-LLVKDONJSA-N 0 3 304.350 1.486 20 5 DDBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000298383068 410207639 /nfs/dbraw/zinc/20/76/39/410207639.db2.gz ZCFNMJIDSFQUBO-QMMMGPOBSA-N 0 3 310.310 1.491 20 5 DDBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)N1CCC[C@@H](C)C1 ZINC000298755314 410382786 /nfs/dbraw/zinc/38/27/86/410382786.db2.gz YACISCNPJBTAGD-MNOVXSKESA-N 0 3 321.381 1.621 20 5 DDBDHN CNC(=O)NC(=O)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000298753740 410383080 /nfs/dbraw/zinc/38/30/80/410383080.db2.gz CLLLKMDTCPSKPZ-SNVBAGLBSA-N 0 3 308.338 1.400 20 5 DDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[C@H]1N1CCN(C)CC1 ZINC000343420813 410439450 /nfs/dbraw/zinc/43/94/50/410439450.db2.gz BHYBYJWZGVDKQS-UKRRQHHQSA-N 0 3 319.409 1.452 20 5 DDBDHN COc1c(C(=O)NC[C@@H](C)N(C)C2CC2)cccc1[N+](=O)[O-] ZINC000355639643 410620594 /nfs/dbraw/zinc/62/05/94/410620594.db2.gz ZGEHRGSFXXCANR-SNVBAGLBSA-N 0 3 307.350 1.816 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000340098174 410675445 /nfs/dbraw/zinc/67/54/45/410675445.db2.gz VVPHIMVYLITDJU-OCCSQVGLSA-N 0 3 320.393 1.919 20 5 DDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@@H]1N(C)C ZINC000330500932 410732168 /nfs/dbraw/zinc/73/21/68/410732168.db2.gz RWYCROKTSOGYGG-STQMWFEESA-N 0 3 324.406 1.416 20 5 DDBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CN2CCC1CC2 ZINC000347949425 410812019 /nfs/dbraw/zinc/81/20/19/410812019.db2.gz NFBDUQSPYGCLRN-HNNXBMFYSA-N 0 3 303.362 1.690 20 5 DDBDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356448572 411035985 /nfs/dbraw/zinc/03/59/85/411035985.db2.gz RVVFLJZOBNDURV-NSHDSACASA-N 0 3 323.397 1.569 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](c3ccco3)C2)c1 ZINC000374139252 418494009 /nfs/dbraw/zinc/49/40/09/418494009.db2.gz ABKDLWAHKNDYTF-YPMHNXCESA-N 0 3 306.322 1.235 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CN2CCCCC2)n1 ZINC000191770632 222109088 /nfs/dbraw/zinc/10/90/88/222109088.db2.gz VQRJENMPPUTQGL-LLVKDONJSA-N 0 3 309.370 1.415 20 5 DDBDHN CCOc1cc(CN2CC[C@@H]3C(=O)NC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000368063184 418682546 /nfs/dbraw/zinc/68/25/46/418682546.db2.gz MLSLBHXJOMLPQM-STQMWFEESA-N 0 3 319.361 1.561 20 5 DDBDHN Cn1ccc(N2CC[C@H](NCc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000371714235 418810602 /nfs/dbraw/zinc/81/06/02/418810602.db2.gz IYOMAZNWIUIOHF-ZDUSSCGKSA-N 0 3 301.350 1.697 20 5 DDBDHN CN(C)CCN(Cc1ccsc1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000413446741 419783828 /nfs/dbraw/zinc/78/38/28/419783828.db2.gz HOWPPDGHTBKVPX-UHFFFAOYSA-N 0 3 322.394 1.597 20 5 DDBDHN CCOc1ccc([C@H](C)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423550558 420079573 /nfs/dbraw/zinc/07/95/73/420079573.db2.gz FQCURCUGPJNMRL-WCQYABFASA-N 0 3 309.366 1.633 20 5 DDBDHN COC(=O)c1cc(C(=O)N2CCN[C@@H](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000423591606 420092185 /nfs/dbraw/zinc/09/21/85/420092185.db2.gz CKCROKMJPCTLBD-VHSXEESVSA-N 0 3 321.333 1.204 20 5 DDBDHN CC[C@H](NCCC(=O)N1CCNCC1)c1cccc([N+](=O)[O-])c1 ZINC000420393952 420260416 /nfs/dbraw/zinc/26/04/16/420260416.db2.gz CFCOYKMFYXEVST-HNNXBMFYSA-N 0 3 320.393 1.457 20 5 DDBDHN CNCCN(C)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000440837917 420611242 /nfs/dbraw/zinc/61/12/42/420611242.db2.gz ZLAQWERPJIJHEW-UHFFFAOYSA-N 0 3 301.368 1.052 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCN1CCCO ZINC000452781828 420659722 /nfs/dbraw/zinc/65/97/22/420659722.db2.gz ISQXBOGSYLMJOX-HNNXBMFYSA-N 0 3 321.377 1.100 20 5 DDBDHN CN(C)C/C=C/C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000493288762 420809351 /nfs/dbraw/zinc/80/93/51/420809351.db2.gz GYTMPOCZYAQQSD-ONEGZZNKSA-N 0 3 305.334 1.434 20 5 DDBDHN COc1cc(C(=O)N[C@@H]2CNCCC2(F)F)ccc1[N+](=O)[O-] ZINC000449662869 421050854 /nfs/dbraw/zinc/05/08/54/421050854.db2.gz NAKIYYDPDJYDTE-LLVKDONJSA-N 0 3 315.276 1.330 20 5 DDBDHN CNc1nc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456019966 421090161 /nfs/dbraw/zinc/09/01/61/421090161.db2.gz IOKUWNFUAOTOEZ-JOYOIKCWSA-N 0 3 319.365 1.244 20 5 DDBDHN CC(COC(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000496825175 421323315 /nfs/dbraw/zinc/32/33/15/421323315.db2.gz ABSHJXOJEWPYRF-ZANVPECISA-N 0 3 320.317 1.544 20 5 DDBDHN C[C@H](O)CCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583500180 422173984 /nfs/dbraw/zinc/17/39/84/422173984.db2.gz PALIQCGATQRVJG-NSHDSACASA-N 0 3 316.379 1.119 20 5 DDBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3c([N+](=O)[O-])ncn3C)[C@H]2C1 ZINC000344121214 271951040 /nfs/dbraw/zinc/95/10/40/271951040.db2.gz SROWEOZZHYDDFD-RWMBFGLXSA-N 0 3 321.381 1.065 20 5 DDBDHN CC1(C)C[C@H](NCC2(CO)COC2)c2cc([N+](=O)[O-])ccc21 ZINC000279151843 275867333 /nfs/dbraw/zinc/86/73/33/275867333.db2.gz SSICFVBNGALMSB-AWEZNQCLSA-N 0 3 306.362 1.916 20 5 DDBDHN CN(C)[C@@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000062984510 276837926 /nfs/dbraw/zinc/83/79/26/276837926.db2.gz ZAPMXCCNWUZMOL-SECBINFHSA-N 0 3 315.171 1.893 20 5 DDBDHN C[C@@H]1C[C@H](CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000453573032 278962219 /nfs/dbraw/zinc/96/22/19/278962219.db2.gz GENXLWGGUFECMX-ZIAGYGMSSA-N 0 3 320.393 1.927 20 5 DDBDHN C[C@H](CN)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415602322 279294539 /nfs/dbraw/zinc/29/45/39/279294539.db2.gz RFBSPACODJFFNU-SECBINFHSA-N 0 3 322.365 1.294 20 5 DDBDHN CN(CCN1CCCC1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000089899990 281027874 /nfs/dbraw/zinc/02/78/74/281027874.db2.gz YJKYQADWVAKABU-UHFFFAOYSA-N 0 3 320.393 1.585 20 5 DDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1csc([N+](=O)[O-])c1 ZINC000363143934 300219402 /nfs/dbraw/zinc/21/94/02/300219402.db2.gz OBEHSWREMNLQJW-MNOVXSKESA-N 0 3 311.363 1.249 20 5 DDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000363198073 300229920 /nfs/dbraw/zinc/22/99/20/300229920.db2.gz YZGJWVLRKDKTSD-VXGBXAGGSA-N 0 3 305.334 1.188 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c(=O)[n-]1 ZINC000370263413 301304559 /nfs/dbraw/zinc/30/45/59/301304559.db2.gz XOXPIIFZKQIUQI-PWSUYJOCSA-N 0 3 320.349 1.170 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c(=O)[n-]1 ZINC000370263413 301304564 /nfs/dbraw/zinc/30/45/64/301304564.db2.gz XOXPIIFZKQIUQI-PWSUYJOCSA-N 0 3 320.349 1.170 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c(=O)[n-]1 ZINC000370263414 301304885 /nfs/dbraw/zinc/30/48/85/301304885.db2.gz XOXPIIFZKQIUQI-ZYHUDNBSSA-N 0 3 320.349 1.170 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])c(=O)[n-]1 ZINC000370263414 301304887 /nfs/dbraw/zinc/30/48/87/301304887.db2.gz XOXPIIFZKQIUQI-ZYHUDNBSSA-N 0 3 320.349 1.170 20 5 DDBDHN O=C1OCC[C@H]1CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376047357 302030884 /nfs/dbraw/zinc/03/08/84/302030884.db2.gz UIXKOHDDXPADRO-LLVKDONJSA-N 0 3 308.338 1.381 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C[NH3+])CC(C)C ZINC000111829850 302047933 /nfs/dbraw/zinc/04/79/33/302047933.db2.gz GVSYEYUQHNOSFL-LLVKDONJSA-N 0 3 315.395 1.555 20 5 DDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000377468634 302181968 /nfs/dbraw/zinc/18/19/68/302181968.db2.gz CIDNPQDIYJATOW-ZIAGYGMSSA-N 0 3 305.334 1.188 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2c2ccccn2)c1 ZINC000530963068 303222664 /nfs/dbraw/zinc/22/26/64/303222664.db2.gz BJBIZILWCHPDFY-ZFWWWQNUSA-N 0 3 317.349 1.384 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000532873517 303300340 /nfs/dbraw/zinc/30/03/40/303300340.db2.gz PCRBDDJMHNKITI-WCQYABFASA-N 0 3 306.366 1.490 20 5 DDBDHN Cc1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000364060016 307040823 /nfs/dbraw/zinc/04/08/23/307040823.db2.gz JYAQKKUFFJESKE-ZIAGYGMSSA-N 0 3 319.361 1.496 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@]2(C1)CCCOC2 ZINC000367075221 307084735 /nfs/dbraw/zinc/08/47/35/307084735.db2.gz SZKFUXDBSCDRJF-OAHLLOKOSA-N 0 3 307.350 1.259 20 5 DDBDHN COc1cc(CNC[C@@H]2[C@H]3COC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000375772334 307230489 /nfs/dbraw/zinc/23/04/89/307230489.db2.gz XCIWHPBFPPFCOV-CNDDSTCGSA-N 0 3 308.334 1.594 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](c3ccncc3)C2)c1 ZINC000570118846 308159769 /nfs/dbraw/zinc/15/97/69/308159769.db2.gz YWHNPMKLKOUCEF-ZFWWWQNUSA-N 0 3 317.349 1.037 20 5 DDBDHN N[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCC1 ZINC000583629371 336001236 /nfs/dbraw/zinc/00/12/36/336001236.db2.gz FAMURIUHKJNLNV-ZDUSSCGKSA-N 0 3 307.354 1.082 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H](n3cncn3)C2)c1 ZINC000372370478 483932608 /nfs/dbraw/zinc/93/26/08/483932608.db2.gz UBSAKUIZRVSRHK-UONOGXRCSA-N 0 3 303.322 1.167 20 5 DDBDHN COC(=O)Cc1ccc(NCC2(N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000419008006 533761145 /nfs/dbraw/zinc/76/11/45/533761145.db2.gz KWQWQAAHRRZXQG-UHFFFAOYSA-N 0 3 307.350 1.816 20 5 DDBDHN C[C@H]1CN(CCCCNc2c([N+](=O)[O-])ncn2C)C[C@H](C)O1 ZINC000443951540 533928424 /nfs/dbraw/zinc/92/84/24/533928424.db2.gz KETYGTSUHUEGKC-RYUDHWBXSA-N 0 3 311.386 1.630 20 5 DDBDHN CS[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000330747786 534120677 /nfs/dbraw/zinc/12/06/77/534120677.db2.gz GMCYGFRXFPYEME-RYUDHWBXSA-N 0 3 324.406 1.295 20 5 DDBDHN Cc1cc(CN)cc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000424439848 534177285 /nfs/dbraw/zinc/17/72/85/534177285.db2.gz SONLGTYCFPASHQ-UHFFFAOYSA-N 0 3 318.337 1.380 20 5 DDBDHN C[C@@H]1OCC[C@@]1(C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000494225952 534186514 /nfs/dbraw/zinc/18/65/14/534186514.db2.gz DPFQKHRPSNQNDB-XHDPSFHLSA-N 0 3 307.350 1.715 20 5 DDBDHN C[C@@H]1[C@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C ZINC000444688245 534249951 /nfs/dbraw/zinc/24/99/51/534249951.db2.gz IXNNWQYUAJKGKC-MNOVXSKESA-N 0 3 303.366 1.996 20 5 DDBDHN Cc1nc(NCCCCN2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000297616124 534489368 /nfs/dbraw/zinc/48/93/68/534489368.db2.gz VZNVLUZVPQHFFN-TXEJJXNPSA-N 0 3 323.397 1.995 20 5 DDBDHN CCCC[C@@H](N)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000154584377 521061784 /nfs/dbraw/zinc/06/17/84/521061784.db2.gz RPQBQYRNKOKQCC-WCQYABFASA-N 0 3 321.381 1.520 20 5 DDBDHN CC1(C)CCCN[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000422937629 528944795 /nfs/dbraw/zinc/94/47/95/528944795.db2.gz OMPAQGOTYKOYKG-CQSZACIVSA-N 0 3 320.393 1.901 20 5 DDBDHN C[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000820770245 606804034 /nfs/dbraw/zinc/80/40/34/606804034.db2.gz ZXKHRZLCIRHXKF-TVQRCGJNSA-N 0 3 317.353 1.161 20 5 DDBDHN C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000820770245 606804036 /nfs/dbraw/zinc/80/40/36/606804036.db2.gz ZXKHRZLCIRHXKF-TVQRCGJNSA-N 0 3 317.353 1.161 20 5 DDBDHN CN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825859907 608583545 /nfs/dbraw/zinc/58/35/45/608583545.db2.gz IOFWSNJBRXTSDO-UHFFFAOYSA-N 0 3 305.342 1.163 20 5 DDBDHN CN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825859907 608583546 /nfs/dbraw/zinc/58/35/46/608583546.db2.gz IOFWSNJBRXTSDO-UHFFFAOYSA-N 0 3 305.342 1.163 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000072501211 696394127 /nfs/dbraw/zinc/39/41/27/696394127.db2.gz FCFGLPDCEZTAIE-ZDUSSCGKSA-N 0 3 320.393 1.875 20 5 DDBDHN CCN(C[C@@H]1CCOC1)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749953227 700194498 /nfs/dbraw/zinc/19/44/98/700194498.db2.gz CJFAQWQAHJMRJY-LBPRGKRZSA-N 0 3 319.365 1.964 20 5 DDBDHN NC(=O)CC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278363 698091164 /nfs/dbraw/zinc/09/11/64/698091164.db2.gz UZBDLHVEAODZCE-CQSZACIVSA-N 0 3 307.350 1.216 20 5 DDBDHN CNC(=O)[C@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582443 698121606 /nfs/dbraw/zinc/12/16/06/698121606.db2.gz QOYVJOBTSZLIDS-JSGCOSHPSA-N 0 3 307.350 1.086 20 5 DDBDHN O=C1NCC2(CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)O1 ZINC000781998208 698670708 /nfs/dbraw/zinc/67/07/08/698670708.db2.gz LBIHROPSFVBGEJ-UHFFFAOYSA-N 0 3 321.333 1.548 20 5 DDBDHN CC[C@@H](CO)N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000737387118 699739347 /nfs/dbraw/zinc/73/93/47/699739347.db2.gz KYICRECKFYREMA-UWVGGRQHSA-N 0 3 311.338 1.291 20 5 DDBDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000761074703 700839560 /nfs/dbraw/zinc/83/95/60/700839560.db2.gz FDRSQCOXOXFEPJ-GFCCVEGCSA-N 0 3 306.366 1.559 20 5 DDBDHN C[C@@]12CN(Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@]1(C)C(=O)NC2=O ZINC000879158115 706601766 /nfs/dbraw/zinc/60/17/66/706601766.db2.gz NQTQHNGEDUAWLS-GJZGRUSLSA-N 0 3 321.308 1.219 20 5 DDBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H](CO)CN1CCCC1 ZINC000808223811 701509344 /nfs/dbraw/zinc/50/93/44/701509344.db2.gz ZKNZGPVZFSLHFI-BMWLXYDHSA-N 0 3 319.361 1.181 20 5 DDBDHN CC(C)N(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCC(=O)N1 ZINC000839671027 701776102 /nfs/dbraw/zinc/77/61/02/701776102.db2.gz XXRQWNAXSOWXOL-UKRRQHHQSA-N 0 3 321.377 1.617 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]2[C@@H](O)c2ccccc2)c1 ZINC000879245408 706627601 /nfs/dbraw/zinc/62/76/01/706627601.db2.gz XLWALMHTLCZDBB-CVEARBPZSA-N 0 3 316.361 1.989 20 5 DDBDHN CO[C@@H]1CC[C@H](C)N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000879320868 706648783 /nfs/dbraw/zinc/64/87/83/706648783.db2.gz JSHBEQYEORECAY-BFHYXJOUSA-N 0 3 324.377 1.834 20 5 DDBDHN CC(COC(=O)c1ccnc(OCC(F)(F)F)c1)[N+](=O)[O-] ZINC000813111660 702297133 /nfs/dbraw/zinc/29/71/33/702297133.db2.gz KAOXJGURWYIXFE-ZETCQYMHSA-N 0 3 308.212 1.845 20 5 DDBDHN Cc1ccc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813114481 702299250 /nfs/dbraw/zinc/29/92/50/702299250.db2.gz CGJSNNZGIRFCNH-VXGBXAGGSA-N 0 3 306.318 1.556 20 5 DDBDHN CC(COC(=O)[C@H](C)NC(=O)CC1CCCCC1)[N+](=O)[O-] ZINC000813114743 702299531 /nfs/dbraw/zinc/29/95/31/702299531.db2.gz VZSPCCAUHXZKSR-QWRGUYRKSA-N 0 3 300.355 1.670 20 5 DDBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCC(=O)NCC1CC1 ZINC000866336784 706676302 /nfs/dbraw/zinc/67/63/02/706676302.db2.gz MNIIQNVPCUHMSG-JTQLQIEISA-N 0 3 309.341 1.781 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H](CO)CC(F)(F)F)cc1 ZINC000843089416 702816534 /nfs/dbraw/zinc/81/65/34/702816534.db2.gz STZINOKUGFISFB-GXSJLCMTSA-N 0 3 308.256 1.531 20 5 DDBDHN CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](Cc2ccccc2)C1 ZINC000844922706 703085927 /nfs/dbraw/zinc/08/59/27/703085927.db2.gz CVKYODBXSASHGF-RBSFLKMASA-N 0 3 303.362 1.037 20 5 DDBDHN CC[C@H]1CN(C)CCCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846972304 703359232 /nfs/dbraw/zinc/35/92/32/703359232.db2.gz MMWKJAPOBYVRCG-DZGCQCFKSA-N 0 3 321.377 1.571 20 5 DDBDHN COc1cccc([N+](=O)[O-])c1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000848659582 703572832 /nfs/dbraw/zinc/57/28/32/703572832.db2.gz MPSLQAVJWCFHTJ-RYUDHWBXSA-N 0 3 307.350 1.879 20 5 DDBDHN C[C@H]([NH3+])[C@H](C)[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766938 704622368 /nfs/dbraw/zinc/62/23/68/704622368.db2.gz YVEZGABAVZQPTF-YUMQZZPRSA-N 0 3 303.265 1.418 20 5 DDBDHN COCCN(C)CCNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000874299305 705001754 /nfs/dbraw/zinc/00/17/54/705001754.db2.gz QWYGBTHJIWWNFZ-UHFFFAOYSA-N 0 3 309.366 1.520 20 5 DDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1-c1cnccn1 ZINC000860777195 705280024 /nfs/dbraw/zinc/28/00/24/705280024.db2.gz MBZGIQSCTLVGTR-SNVBAGLBSA-N 0 3 304.306 1.706 20 5 DDBDHN CO[C@H]1CN(C)[C@](C)(COC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000861342994 705434618 /nfs/dbraw/zinc/43/46/18/705434618.db2.gz FZEDVKNEXREHRF-RISCZKNCSA-N 0 3 311.338 1.199 20 5 DDBDHN Nc1ccc(C(=O)NC[C@@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000863033760 705853064 /nfs/dbraw/zinc/85/30/64/705853064.db2.gz MFORKNSZYOBRSN-ZDUSSCGKSA-N 0 3 318.377 1.924 20 5 DDBDHN CC(C)N1CCC[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000829539151 706353043 /nfs/dbraw/zinc/35/30/43/706353043.db2.gz MXOCGPIHAFEPJC-DZGCQCFKSA-N 0 3 321.377 1.617 20 5 DDBDHN O=C1CC2(CCC2)N(CCOc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000880171050 706900637 /nfs/dbraw/zinc/90/06/37/706900637.db2.gz TVPVFGFZKGUDCG-UHFFFAOYSA-N 0 3 319.361 1.718 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC=C[C@H]1CO ZINC000880489716 706992761 /nfs/dbraw/zinc/99/27/61/706992761.db2.gz HSWPUFANEYSJAF-ZDUSSCGKSA-N 0 3 305.334 1.465 20 5 DDBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1(CO)COC1 ZINC000872050860 707285739 /nfs/dbraw/zinc/28/57/39/707285739.db2.gz CZFSIZGZPHYZQG-SNVBAGLBSA-N 0 3 312.391 1.976 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000839412162 708047033 /nfs/dbraw/zinc/04/70/33/708047033.db2.gz NCUGJJSTEIIIMI-OQPBUACISA-N 0 3 311.288 1.649 20 5 DDBDHN CN(CCO)CCN(C)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000912603854 713044251 /nfs/dbraw/zinc/04/42/51/713044251.db2.gz ORZJJTFVYFPRMC-UHFFFAOYSA-N 0 3 315.757 1.244 20 5 DDBDHN C[C@@H]1COCCN1C1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886212843 708716218 /nfs/dbraw/zinc/71/62/18/708716218.db2.gz GWRMCJKZERTTKF-CYBMUJFWSA-N 0 3 320.393 1.675 20 5 DDBDHN CCCN1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000891438973 710201437 /nfs/dbraw/zinc/20/14/37/710201437.db2.gz XHJAXLJWJIAUEG-UHFFFAOYSA-N 0 3 309.366 1.837 20 5 DDBDHN CCN1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000891993969 710348899 /nfs/dbraw/zinc/34/88/99/710348899.db2.gz XSTLUYDQYPHEJK-NSHDSACASA-N 0 3 309.366 1.835 20 5 DDBDHN CC(COC(=O)c1nn2c(c1Br)CCC2)[N+](=O)[O-] ZINC000893046477 710546597 /nfs/dbraw/zinc/54/65/97/710546597.db2.gz CMCZCJAFOJFAPV-ZCFIWIBFSA-N 0 3 318.127 1.414 20 5 DDBDHN COc1cc([C@@H](C)N[C@@H]2CCN(C(C)=O)C2)cc([N+](=O)[O-])c1 ZINC000903207105 711064649 /nfs/dbraw/zinc/06/46/49/711064649.db2.gz VJFPJZCVBUZOAW-ZWNOBZJWSA-N 0 3 307.350 1.875 20 5 DDBDHN C[C@]1(NC(=O)CNc2ccccc2[N+](=O)[O-])CN2CCC1CC2 ZINC000912381235 711302889 /nfs/dbraw/zinc/30/28/89/711302889.db2.gz XQWUWLQUJZKDCJ-INIZCTEOSA-N 0 3 318.377 1.607 20 5 DDBDHN CCN1CCC[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000905551887 712074941 /nfs/dbraw/zinc/07/49/41/712074941.db2.gz OBKMEDASBIVXFO-ZIAGYGMSSA-N 0 3 307.350 1.229 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@@H](O)c2ccco2)c1 ZINC000915223425 713413526 /nfs/dbraw/zinc/41/35/26/713413526.db2.gz JIVUAODLYVAKII-GXTWGEPZSA-N 0 3 322.317 1.251 20 5 DDBDHN CN(C)[C@@H](CNC(=O)Cn1ccnc1[N+](=O)[O-])c1ccccc1 ZINC000918342121 713538139 /nfs/dbraw/zinc/53/81/39/713538139.db2.gz BCQXTDQCMZJMAQ-ZDUSSCGKSA-N 0 3 317.349 1.210 20 5 DDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000923312377 714307536 /nfs/dbraw/zinc/30/75/36/714307536.db2.gz HQXLETDBNRQTPW-DZGCQCFKSA-N 0 3 303.362 1.832 20 5 DDBDHN CCN(CC)CC(=O)NCCN(CC)c1ccc([N+](=O)[O-])cn1 ZINC001100543199 734493204 /nfs/dbraw/zinc/49/32/04/734493204.db2.gz VIQJRBIDUTWCPL-UHFFFAOYSA-N 0 3 323.397 1.274 20 5 DDBDHN O=[N+]([O-])c1ccc(CC[NH+]2CCC(Cc3nnn[n-]3)CC2)cc1 ZINC001197440025 747164837 /nfs/dbraw/zinc/16/48/37/747164837.db2.gz URSSERRSOYEPNG-UHFFFAOYSA-N 0 3 316.365 1.605 20 5 DDBDHN O=[N+]([O-])c1ccc(CC[NH+]2CCC(Cc3nn[n-]n3)CC2)cc1 ZINC001197440025 747164843 /nfs/dbraw/zinc/16/48/43/747164843.db2.gz URSSERRSOYEPNG-UHFFFAOYSA-N 0 3 316.365 1.605 20 5 DDBDHN Cc1cccc(N2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169006709 762174848 /nfs/dbraw/zinc/17/48/48/762174848.db2.gz IZPVCCHTAXJZHB-HUUCEWRRSA-N 0 3 304.394 1.957 20 5 DDBDHN Cc1cc(N2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)nc(C)n1 ZINC001169027853 762184647 /nfs/dbraw/zinc/18/46/47/762184647.db2.gz RDYVFLNCCWAYPI-HUUCEWRRSA-N 0 3 319.409 1.661 20 5 DDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(CCc3ccncc3)CC2)C1 ZINC001169030243 762186268 /nfs/dbraw/zinc/18/62/68/762186268.db2.gz XHQLMKDKPBVSFI-DLBZAZTESA-N 0 3 318.421 1.687 20 5 DDBDHN Cc1cncn1CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001131377402 768102030 /nfs/dbraw/zinc/10/20/30/768102030.db2.gz PVQQJZSXZQSHJZ-UHFFFAOYSA-N 0 3 317.349 1.006 20 5 DDBDHN COC(=O)Cc1ccc(N[C@@H](C)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170569578 768182845 /nfs/dbraw/zinc/18/28/45/768182845.db2.gz JVDCMZVOQCMDKM-IINYFYTJSA-N 0 3 323.349 1.099 20 5 DDBDHN CCOC(=O)c1cc(N[C@H](C)[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001170574709 768225562 /nfs/dbraw/zinc/22/55/62/768225562.db2.gz NYVKHNDMPGVFKD-YGRLFVJLSA-N 0 3 323.349 1.560 20 5 DDBDHN C[C@H](Nc1ccc([N+](=O)[O-])c2c1CCN(C)C2)[C@H]1CNCCO1 ZINC001170577368 768264215 /nfs/dbraw/zinc/26/42/15/768264215.db2.gz ZFFNTXJYUKMEBX-MEDUHNTESA-N 0 3 320.393 1.372 20 5 DDBDHN COc1ccc(C[C@@H](C)NCC(=O)NC2CCC2)c([N+](=O)[O-])c1 ZINC001170318165 766248716 /nfs/dbraw/zinc/24/87/16/766248716.db2.gz NPRZSZUUZLNFNY-LLVKDONJSA-N 0 3 321.377 1.793 20 5 DDBDHN CCc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)no1 ZINC001148321500 773435513 /nfs/dbraw/zinc/43/55/13/773435513.db2.gz CLUIVVLTHJFYAY-UHFFFAOYSA-N 0 3 318.333 1.665 20 5 DDBDHN CCCN(C)CC(=O)NCCCNc1ncc(C)cc1[N+](=O)[O-] ZINC001094517532 775975675 /nfs/dbraw/zinc/97/56/75/775975675.db2.gz WGIOONFKMSZCCQ-UHFFFAOYSA-N 0 3 323.397 1.558 20 5 DDBDHN Cc1[nH]cnc1CC(=O)NCCCNc1ncccc1[N+](=O)[O-] ZINC001094525137 775984545 /nfs/dbraw/zinc/98/45/45/775984545.db2.gz YURMRLAVKGQOFJ-UHFFFAOYSA-N 0 3 318.337 1.182 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCC(=O)N(C)C)c1F ZINC001173174889 777034234 /nfs/dbraw/zinc/03/42/34/777034234.db2.gz FHLBOJBMVXLYCV-SECBINFHSA-N 0 3 313.329 1.351 20 5 DDBDHN CCC1(CC)CNC(=O)[C@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001176454029 778153354 /nfs/dbraw/zinc/15/33/54/778153354.db2.gz YETDAIOOQVMTAE-ZIAGYGMSSA-N 0 3 321.377 1.523 20 5 DDBDHN COc1ncnc(-n2c3ccccc3nc2[C@@H](C)N)c1[N+](=O)[O-] ZINC001155254740 861896622 /nfs/dbraw/zinc/89/66/22/861896622.db2.gz NZEQMNQBAZNDOS-MRVPVSSYSA-N 0 3 314.305 1.752 20 5 DDBDHN CSc1nc(Cl)nc(-n2nc(CN)cc2C)c1[N+](=O)[O-] ZINC001156039096 862660188 /nfs/dbraw/zinc/66/01/88/862660188.db2.gz MMUPWAKCUMVPMW-UHFFFAOYSA-N 0 3 314.758 1.713 20 5 DDBDHN O=C(N[C@H]1COC2(CNC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001122142767 858696229 /nfs/dbraw/zinc/69/62/29/858696229.db2.gz ZUYJMJIBHWXOHY-SNVBAGLBSA-N 0 3 311.725 1.109 20 5 DDBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001139628263 860441707 /nfs/dbraw/zinc/44/17/07/860441707.db2.gz UTDPECWAYYJNFH-GFCCVEGCSA-N 0 3 306.366 1.855 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001329416375 863655258 /nfs/dbraw/zinc/65/52/58/863655258.db2.gz LLEKPUMEEMDPAA-OCCSQVGLSA-N 0 3 307.350 1.229 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1cc(F)c[nH]1 ZINC001162724849 867769226 /nfs/dbraw/zinc/76/92/26/867769226.db2.gz UZVOHWHSGNBJKI-UHFFFAOYSA-N 0 3 320.324 1.972 20 5 DDBDHN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CN2CCC1CC2 ZINC001336628742 869057873 /nfs/dbraw/zinc/05/78/73/869057873.db2.gz OECFSBDXOZROAL-ZDUSSCGKSA-N 0 3 304.350 1.217 20 5 DDBDHN O=c1[nH][nH]cc1CCCNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001164381961 869171017 /nfs/dbraw/zinc/17/10/17/869171017.db2.gz IQQOSMHTHOEANO-VIFPVBQESA-N 0 3 303.322 1.122 20 5 DDBDHN CCN1CC[C@H](Oc2cc(C(=O)OC)c([N+](=O)[O-])cc2OC)C1 ZINC001226441553 882434443 /nfs/dbraw/zinc/43/44/43/882434443.db2.gz RICWHBLAMLCOBC-JTQLQIEISA-N 0 3 324.333 1.863 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCN1C ZINC001303799180 871155586 /nfs/dbraw/zinc/15/55/86/871155586.db2.gz DHFCYMBXQYIYGB-SKDRFNHKSA-N 0 3 311.769 2.000 20 5 DDBDHN C[C@H](CNC(=O)C[C@H]1CNCCO1)c1ccccc1[N+](=O)[O-] ZINC001341429668 871656414 /nfs/dbraw/zinc/65/64/14/871656414.db2.gz VTKVVDGEOVRJBD-NEPJUHHUSA-N 0 3 307.350 1.193 20 5 DDBDHN Nc1cc(O[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)ccn1 ZINC001226653883 882568786 /nfs/dbraw/zinc/56/87/86/882568786.db2.gz RSFNSNUVBCJJFH-LBPRGKRZSA-N 0 3 301.306 1.625 20 5 DDBDHN O=C(N[C@@H]1COC2(CNC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001344000085 872831700 /nfs/dbraw/zinc/83/17/00/872831700.db2.gz NUTXDAIOLBRDJZ-VIFPVBQESA-N 0 3 311.725 1.109 20 5 DDBDHN Cc1n[nH]c(=O)c(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC001345606878 873454168 /nfs/dbraw/zinc/45/41/68/873454168.db2.gz ROEOLFXFYGKWGP-CQSZACIVSA-N 0 3 318.333 1.530 20 5 DDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCN(C)CCO ZINC001219043247 877885765 /nfs/dbraw/zinc/88/57/65/877885765.db2.gz HUNZVPZLULJHIA-UHFFFAOYSA-N 0 3 310.354 1.203 20 5 DDBDHN CC[C@@H](C)N1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC)CC1 ZINC001356351800 879007564 /nfs/dbraw/zinc/00/75/64/879007564.db2.gz NBPRDZSMBHYZFT-VXGBXAGGSA-N 0 3 310.402 1.556 20 5 DDBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CC3(CC3)CN2)n1 ZINC001249213807 893874415 /nfs/dbraw/zinc/87/44/15/893874415.db2.gz IGAKCFYSNOTBNZ-QMMMGPOBSA-N 0 3 305.269 1.994 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000278453604 214163603 /nfs/dbraw/zinc/16/36/03/214163603.db2.gz RDBVZNBEWGGPDU-GXSJLCMTSA-N 0 3 307.354 1.047 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000278453604 214163607 /nfs/dbraw/zinc/16/36/07/214163607.db2.gz RDBVZNBEWGGPDU-GXSJLCMTSA-N 0 3 307.354 1.047 20 5 DDBDHN CC[C@@H](O)CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278535221 214219229 /nfs/dbraw/zinc/21/92/29/214219229.db2.gz UOBRTFHZICVUMN-GFCCVEGCSA-N 0 3 319.365 1.364 20 5 DDBDHN COCCN1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278714465 214347963 /nfs/dbraw/zinc/34/79/63/214347963.db2.gz OWEDLDITSDGYJV-LLVKDONJSA-N 0 3 319.365 1.281 20 5 DDBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc([S@](C)=O)cc1 ZINC000090539597 185301610 /nfs/dbraw/zinc/30/16/10/185301610.db2.gz AJEANENIKJWAOG-KPWVOAKYSA-N 0 3 322.390 1.880 20 5 DDBDHN COc1cc(C(=O)NC(C)(C)CN(C)C)cc([N+](=O)[O-])c1C ZINC000457256143 232024565 /nfs/dbraw/zinc/02/45/65/232024565.db2.gz YUMHQHDMCLGXEE-UHFFFAOYSA-N 0 3 309.366 1.982 20 5 DDBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)CCN1C ZINC000330790359 232070985 /nfs/dbraw/zinc/07/09/85/232070985.db2.gz AOGWGFBYFQORTF-UWVGGRQHSA-N 0 3 307.354 1.127 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272662118 210066633 /nfs/dbraw/zinc/06/66/33/210066633.db2.gz HCHQDRJIMCSVFH-NSHDSACASA-N 0 3 321.381 1.256 20 5 DDBDHN CC1(C)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000279708064 215079727 /nfs/dbraw/zinc/07/97/27/215079727.db2.gz HRPSJSAVIJIJMO-TZMCWYRMSA-N 0 3 310.350 1.037 20 5 DDBDHN CC1(O)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182007799 199373702 /nfs/dbraw/zinc/37/37/02/199373702.db2.gz QPEREBGOLGLGOF-GFCCVEGCSA-N 0 3 310.350 1.181 20 5 DDBDHN Cc1n[nH]c(C(=O)N[C@H]2CCN(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000331383852 233256167 /nfs/dbraw/zinc/25/61/67/233256167.db2.gz HNQDVPPOZQNSPO-JTQLQIEISA-N 0 3 307.354 1.373 20 5 DDBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCN(C2CC2)C1 ZINC000358468201 299162704 /nfs/dbraw/zinc/16/27/04/299162704.db2.gz QDBMKPGCJSPCBS-CQSZACIVSA-N 0 3 321.352 1.972 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)N1CCCC1 ZINC000617350004 363065150 /nfs/dbraw/zinc/06/51/50/363065150.db2.gz UYKUTIJFLUMHPE-LLVKDONJSA-N 0 3 307.350 1.818 20 5 DDBDHN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(C2CC2)C1 ZINC000057553942 352820082 /nfs/dbraw/zinc/82/00/82/352820082.db2.gz JEIVVEOGSREHEI-LLVKDONJSA-N 0 3 305.334 1.327 20 5 DDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1csc([N+](=O)[O-])c1 ZINC000061649248 352892057 /nfs/dbraw/zinc/89/20/57/352892057.db2.gz OBEHSWREMNLQJW-QWRGUYRKSA-N 0 3 311.363 1.249 20 5 DDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000061649424 352892140 /nfs/dbraw/zinc/89/21/40/352892140.db2.gz CIDNPQDIYJATOW-UONOGXRCSA-N 0 3 305.334 1.188 20 5 DDBDHN C[C@@H]1[C@H](C)N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000331908284 234263325 /nfs/dbraw/zinc/26/33/25/234263325.db2.gz ALQZSRQGYVHPQL-ZJUUUORDSA-N 0 3 317.349 1.636 20 5 DDBDHN COCCCN(C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000173552166 198226414 /nfs/dbraw/zinc/22/64/14/198226414.db2.gz FTVFUSLAFCLJMY-UHFFFAOYSA-N 0 3 324.381 1.184 20 5 DDBDHN CN(CCOc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174654238 198365557 /nfs/dbraw/zinc/36/55/57/198365557.db2.gz CRGOYXDNJYOEHV-CQSZACIVSA-N 0 3 320.349 1.163 20 5 DDBDHN CCN(CC)CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000076825470 353439769 /nfs/dbraw/zinc/43/97/69/353439769.db2.gz CTJCVYXMQZVDQG-UHFFFAOYSA-N 0 3 315.395 1.523 20 5 DDBDHN C[C@@H](c1ccco1)N(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000086233757 353739713 /nfs/dbraw/zinc/73/97/13/353739713.db2.gz SLEXFAUXMWGPQQ-SMDDNHRTSA-N 0 3 320.349 1.971 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C[C@H](C)[NH3+])cc1C ZINC000320756192 354529518 /nfs/dbraw/zinc/52/95/18/354529518.db2.gz WNKUKTKPDNVEGU-WDEREUQCSA-N 0 3 315.395 1.616 20 5 DDBDHN COc1cc(C(=O)N2CCNCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000321098524 354531005 /nfs/dbraw/zinc/53/10/05/354531005.db2.gz OPXZXMVZVWHTFC-UHFFFAOYSA-N 0 3 323.349 1.436 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1CCNC2 ZINC000316722364 354505550 /nfs/dbraw/zinc/50/55/50/354505550.db2.gz MUWPIANMRYHHCO-UHFFFAOYSA-N 0 3 300.318 1.831 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](CO)c1ccccc1 ZINC000183657897 199627969 /nfs/dbraw/zinc/62/79/69/199627969.db2.gz NVJAKIZINGQKRX-CQSZACIVSA-N 0 3 303.318 1.080 20 5 DDBDHN COc1cc(N(C)C[C@@H]2C[C@H](OC)CN2C)ccc1[N+](=O)[O-] ZINC000585783525 354842195 /nfs/dbraw/zinc/84/21/95/354842195.db2.gz RSSXWGXPKIDBRJ-STQMWFEESA-N 0 3 309.366 1.759 20 5 DDBDHN CCOc1cc(CN(CCO)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000276989229 213224407 /nfs/dbraw/zinc/22/44/07/213224407.db2.gz ZSEZVJBFYBTXTB-UHFFFAOYSA-N 0 3 324.377 1.967 20 5 DDBDHN Nc1cc(NC2CCN(C3CC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587093231 354880903 /nfs/dbraw/zinc/88/09/03/354880903.db2.gz VKZSTDYODQZCNT-UHFFFAOYSA-N 0 3 306.366 1.708 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000590044131 355042428 /nfs/dbraw/zinc/04/24/28/355042428.db2.gz HGHYQLITGDWLKP-AAEUAGOBSA-N 0 3 305.334 1.136 20 5 DDBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590589926 355122361 /nfs/dbraw/zinc/12/23/61/355122361.db2.gz TWGDHKQQFIQTSS-GWCFXTLKSA-N 0 3 313.379 1.308 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590442837 355096444 /nfs/dbraw/zinc/09/64/44/355096444.db2.gz HLYSCOOTNPVXSX-RISCZKNCSA-N 0 3 304.350 1.169 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590446357 355099789 /nfs/dbraw/zinc/09/97/89/355099789.db2.gz UTPAZNMRFOSNOL-SMDDNHRTSA-N 0 3 321.402 1.849 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1C[C@H](F)CN1)OCCO2 ZINC000591281872 355277561 /nfs/dbraw/zinc/27/75/61/355277561.db2.gz QNULUPYURPKCHR-QWRGUYRKSA-N 0 3 311.313 1.156 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCc2cscn2)c1 ZINC000591754407 355377969 /nfs/dbraw/zinc/37/79/69/355377969.db2.gz JNRBHFUVSXLZMJ-CYBMUJFWSA-N 0 3 323.374 1.623 20 5 DDBDHN COC(=O)[C@@H]1CNCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000592433438 355582777 /nfs/dbraw/zinc/58/27/77/355582777.db2.gz FPXLSGDBTDFNOZ-ZDUSSCGKSA-N 0 3 311.313 1.071 20 5 DDBDHN CC1(OCC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CNC1 ZINC000592558232 355627940 /nfs/dbraw/zinc/62/79/40/355627940.db2.gz CJQRWTOYJCVQIM-UHFFFAOYSA-N 0 3 319.361 1.464 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CCN1CCCCC1 ZINC000593884664 356040465 /nfs/dbraw/zinc/04/04/65/356040465.db2.gz WEJCWXLOCCDGLZ-UHFFFAOYSA-N 0 3 309.370 1.044 20 5 DDBDHN NC[C@H](NC(=O)NCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000594523408 356242603 /nfs/dbraw/zinc/24/26/03/356242603.db2.gz BGTZPRSGAPIODS-VIFPVBQESA-N 0 3 306.244 1.284 20 5 DDBDHN Cc1ccc([C@H](C)NC[C@]2(OCCO)CCOC2)cc1[N+](=O)[O-] ZINC000595078285 356379282 /nfs/dbraw/zinc/37/92/82/356379282.db2.gz OLYZNZJLIJNNSY-XJKSGUPXSA-N 0 3 324.377 1.722 20 5 DDBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@H](CO)Cc1ccccc1 ZINC000595596530 356568768 /nfs/dbraw/zinc/56/87/68/356568768.db2.gz NNNIOWTWJHDJHF-AWEZNQCLSA-N 0 3 304.350 1.327 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000595744149 356632693 /nfs/dbraw/zinc/63/26/93/356632693.db2.gz TVXJDOXJUXFWST-JHJVBQTASA-N 0 3 324.377 1.283 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@]2(C)CC[NH2+]C2)c1[N+](=O)[O-] ZINC000596052216 356753966 /nfs/dbraw/zinc/75/39/66/356753966.db2.gz UVCIMWDUPCNRBY-CYBMUJFWSA-N 0 3 313.379 1.242 20 5 DDBDHN O=c1[nH]ccc(N2CCC[C@@H](N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000596294526 356848496 /nfs/dbraw/zinc/84/84/96/356848496.db2.gz LVQSEYXNZYZYLB-GFCCVEGCSA-N 0 3 322.365 1.387 20 5 DDBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000596476844 356892343 /nfs/dbraw/zinc/89/23/43/356892343.db2.gz UGEBBEDYLAMQME-GFCCVEGCSA-N 0 3 308.382 1.784 20 5 DDBDHN COc1ccc(CN[C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000237259769 202208402 /nfs/dbraw/zinc/20/84/02/202208402.db2.gz WPWBPHOBWVVRBX-LBPRGKRZSA-N 0 3 309.366 1.414 20 5 DDBDHN CC(=O)NCC[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000347622522 283243430 /nfs/dbraw/zinc/24/34/30/283243430.db2.gz JAFHLRBBDOVKCB-CYBMUJFWSA-N 0 3 309.370 1.030 20 5 DDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000597857315 357360318 /nfs/dbraw/zinc/36/03/18/357360318.db2.gz DBVIPDAFQVIQKB-NSHDSACASA-N 0 3 323.397 1.515 20 5 DDBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000598266448 357514980 /nfs/dbraw/zinc/51/49/80/357514980.db2.gz YAGVEUSRBPJKGZ-GFCCVEGCSA-N 0 3 308.382 1.784 20 5 DDBDHN CCCN1CC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000598343798 357546920 /nfs/dbraw/zinc/54/69/20/357546920.db2.gz YFVCRRVMHXWLLJ-JTQLQIEISA-N 0 3 321.333 1.538 20 5 DDBDHN CN1CCC[C@H]1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000599015055 357794334 /nfs/dbraw/zinc/79/43/34/357794334.db2.gz VJGYUBPFDLAEPN-LBPRGKRZSA-N 0 3 307.350 1.550 20 5 DDBDHN CN1CCOC[C@H]1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599079791 357808946 /nfs/dbraw/zinc/80/89/46/357808946.db2.gz OWYPWWUHNMOKCZ-ZBFHGGJFSA-N 0 3 305.378 1.892 20 5 DDBDHN CCOC(=O)c1ccnc(N2C[C@@H](C)N[C@@H](C)C2)c1[N+](=O)[O-] ZINC000599102949 357815716 /nfs/dbraw/zinc/81/57/16/357815716.db2.gz HJVLXDUQKWGZPR-AOOOYVTPSA-N 0 3 308.338 1.353 20 5 DDBDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599622394 357995342 /nfs/dbraw/zinc/99/53/42/357995342.db2.gz BPLIXVOPTLYSHP-JNIYBQFBSA-N 0 3 307.350 1.935 20 5 DDBDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599622397 357995390 /nfs/dbraw/zinc/99/53/90/357995390.db2.gz BPLIXVOPTLYSHP-ZVXAKGHKSA-N 0 3 307.350 1.935 20 5 DDBDHN COC(=O)c1cnc(N(C)C[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000276712125 213060484 /nfs/dbraw/zinc/06/04/84/213060484.db2.gz JJYVVRSKWQBJCY-LLVKDONJSA-N 0 3 322.365 1.554 20 5 DDBDHN CC1([NH+]2CCOCC2)CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000600409968 358213214 /nfs/dbraw/zinc/21/32/14/358213214.db2.gz JOLWXNVNKYSDAS-UHFFFAOYSA-N 0 3 322.365 1.250 20 5 DDBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180565494 199177053 /nfs/dbraw/zinc/17/70/53/199177053.db2.gz DEBZACKUKOQYTB-LLVKDONJSA-N 0 3 321.381 1.566 20 5 DDBDHN CCN1C[C@H](C)N(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H]1C ZINC000348109423 283372778 /nfs/dbraw/zinc/37/27/78/283372778.db2.gz VLXMWIGSXGNZTM-QWRGUYRKSA-N 0 3 304.354 1.556 20 5 DDBDHN C[C@H]1COCCN1C1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602838860 359229272 /nfs/dbraw/zinc/22/92/72/359229272.db2.gz UHSAMPADSVZPNW-LBPRGKRZSA-N 0 3 323.397 1.013 20 5 DDBDHN COC(=O)[C@@]1(C)CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602929913 359299927 /nfs/dbraw/zinc/29/99/27/359299927.db2.gz YSYMCNQBCIVWFJ-HZMBPMFUSA-N 0 3 310.354 1.231 20 5 DDBDHN C[C@@H](NCc1ccccc1[N+](=O)[O-])C1CCS(=O)(=O)CC1 ZINC000187317483 200094228 /nfs/dbraw/zinc/09/42/28/200094228.db2.gz NLZJSDCTCSXPAT-LLVKDONJSA-N 0 3 312.391 1.898 20 5 DDBDHN C[C@H]1COCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610990902 360592266 /nfs/dbraw/zinc/59/22/66/360592266.db2.gz UFQGIZKERFOUGH-JSGCOSHPSA-N 0 3 310.350 1.445 20 5 DDBDHN CN(C)CCO[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000611132740 360631418 /nfs/dbraw/zinc/63/14/18/360631418.db2.gz FICOIPLVEYYOIC-NSHDSACASA-N 0 3 314.773 1.800 20 5 DDBDHN CN1CC=C(CNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000271859726 209275044 /nfs/dbraw/zinc/27/50/44/209275044.db2.gz KDOAFRRETUDURR-UHFFFAOYSA-N 0 3 305.334 1.352 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CCCN(CC3CCC3)CC2)c1[N+](=O)[O-] ZINC000619868432 364167701 /nfs/dbraw/zinc/16/77/01/364167701.db2.gz FKUNJIAGCCCKFX-UHFFFAOYSA-N 0 3 321.381 1.574 20 5 DDBDHN Cc1[nH]nc(C(=O)N2CCCN(CC3CCC3)CC2)c1[N+](=O)[O-] ZINC000619868432 364167709 /nfs/dbraw/zinc/16/77/09/364167709.db2.gz FKUNJIAGCCCKFX-UHFFFAOYSA-N 0 3 321.381 1.574 20 5 DDBDHN COCCNCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000262071900 203190442 /nfs/dbraw/zinc/19/04/42/203190442.db2.gz CLFLWHROQGEPDL-UHFFFAOYSA-N 0 3 307.306 1.307 20 5 DDBDHN CC(C)N1CCC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000274520377 211686231 /nfs/dbraw/zinc/68/62/31/211686231.db2.gz SCQLHVBATIRFHN-ZDUSSCGKSA-N 0 3 321.377 1.963 20 5 DDBDHN COc1ccc(NC(=O)CN[C@H](C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000274046680 211304893 /nfs/dbraw/zinc/30/48/93/211304893.db2.gz OZZIDMQYHTVYKQ-MNOVXSKESA-N 0 3 323.349 1.557 20 5 DDBDHN COC(=O)c1cn(CCN[C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000284516779 218061469 /nfs/dbraw/zinc/06/14/69/218061469.db2.gz YVOYIPLYEMAQHW-JTQLQIEISA-N 0 3 319.321 1.324 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC(=O)NC1(C)C ZINC000338593848 250046135 /nfs/dbraw/zinc/04/61/35/250046135.db2.gz VDVUSJJYSFGTSV-ZDUSSCGKSA-N 0 3 307.350 1.750 20 5 DDBDHN CCCN(CCN1CCN(CC)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000341046798 251354270 /nfs/dbraw/zinc/35/42/70/251354270.db2.gz SFNASUUEAJQPCD-UHFFFAOYSA-N 0 3 321.425 1.844 20 5 DDBDHN COc1ccc(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272944068 210330558 /nfs/dbraw/zinc/33/05/58/210330558.db2.gz MEKOGDSSZPPAPL-NSHDSACASA-N 0 3 319.361 1.984 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)[C@@H](C)CO ZINC000295773167 533138415 /nfs/dbraw/zinc/13/84/15/533138415.db2.gz QBCNEYHXHJEQTH-VHSXEESVSA-N 0 3 311.338 1.148 20 5 DDBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000330799325 533389422 /nfs/dbraw/zinc/38/94/22/533389422.db2.gz BUCIWOFYJSZYAG-JTQLQIEISA-N 0 3 321.381 1.374 20 5 DDBDHN C[C@H](CCS(C)(=O)=O)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569000667 304329294 /nfs/dbraw/zinc/32/92/94/304329294.db2.gz MKCKPMAFMXHUEK-ZWNOBZJWSA-N 0 3 312.391 1.995 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCCN1CCC(O)CC1 ZINC000360948829 299779828 /nfs/dbraw/zinc/77/98/28/299779828.db2.gz DQSZBHDZZPIAFR-UHFFFAOYSA-N 0 3 311.386 1.378 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)CN1CCCCC1 ZINC000122659942 407307697 /nfs/dbraw/zinc/30/76/97/407307697.db2.gz KSYSPVSSVAQZLG-LLVKDONJSA-N 0 3 309.370 1.090 20 5 DDBDHN Cc1cc(C(=O)N(CCN(C)C)CCN(C)C)cc([N+](=O)[O-])c1 ZINC000103212961 407334002 /nfs/dbraw/zinc/33/40/02/407334002.db2.gz VYKNBXFEHVOHRZ-UHFFFAOYSA-N 0 3 322.409 1.469 20 5 DDBDHN C[C@H](O)[C@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000106865791 407363925 /nfs/dbraw/zinc/36/39/25/407363925.db2.gz GPYKWJJWLXWZFD-DUVNUKRYSA-N 0 3 324.377 1.570 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H]1CCOC1 ZINC000106884152 407364833 /nfs/dbraw/zinc/36/48/33/407364833.db2.gz PJUANTUIJQVJGO-ZDUSSCGKSA-N 0 3 307.350 1.953 20 5 DDBDHN CNC(=O)[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000111263945 407403888 /nfs/dbraw/zinc/40/38/88/407403888.db2.gz CDXXZQWHLZNYHW-GFCCVEGCSA-N 0 3 307.350 1.432 20 5 DDBDHN CSCC[C@@H](N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000151711785 407483160 /nfs/dbraw/zinc/48/31/60/407483160.db2.gz IFGATPLRWSCHPI-SNVBAGLBSA-N 0 3 312.395 1.203 20 5 DDBDHN O=C(C[C@@H]1CSCCN1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000178753273 407584089 /nfs/dbraw/zinc/58/40/89/407584089.db2.gz BUNQLZDVGIWPKM-SNVBAGLBSA-N 0 3 307.375 1.579 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](c3ccccc3)C2)c1 ZINC000266528363 407546536 /nfs/dbraw/zinc/54/65/36/407546536.db2.gz LCKZXHWNLNPITC-GOEBONIOSA-N 0 3 316.361 1.642 20 5 DDBDHN COCCNCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000152289772 407604534 /nfs/dbraw/zinc/60/45/34/407604534.db2.gz RXMSMFSGGHHNKK-UHFFFAOYSA-N 0 3 301.730 1.214 20 5 DDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000115443173 407680700 /nfs/dbraw/zinc/68/07/00/407680700.db2.gz RURYAUDFKKENFS-JTQLQIEISA-N 0 3 324.356 1.730 20 5 DDBDHN CN(C)[C@@]1(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCSC1 ZINC000267082933 407741808 /nfs/dbraw/zinc/74/18/08/407741808.db2.gz GVJYRKLDYCNIJY-CQSZACIVSA-N 0 3 324.406 1.344 20 5 DDBDHN CN1CCC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000171756283 407762468 /nfs/dbraw/zinc/76/24/68/407762468.db2.gz XRYWMKUHTBHVAU-CYBMUJFWSA-N 0 3 306.366 1.736 20 5 DDBDHN C[C@@H]1CN(CCCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)O1 ZINC000268041056 407864997 /nfs/dbraw/zinc/86/49/97/407864997.db2.gz XZQXSYICSFBCFK-TXEJJXNPSA-N 0 3 324.381 1.542 20 5 DDBDHN CN1CC[C@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272528848 407966243 /nfs/dbraw/zinc/96/62/43/407966243.db2.gz MHBZSHWHVNRPJA-MRVPVSSYSA-N 0 3 321.362 1.281 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(C3OCCO3)CC2)c1 ZINC000153920205 407933505 /nfs/dbraw/zinc/93/35/05/407933505.db2.gz DROVTNNXWJUQGC-HNNXBMFYSA-N 0 3 322.361 1.713 20 5 DDBDHN Cc1cc(C(=O)N[C@@H](C)C2=CCN(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000273069356 408045441 /nfs/dbraw/zinc/04/54/41/408045441.db2.gz ZJJTUTQJSZCCTF-NSHDSACASA-N 0 3 318.377 1.866 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272570168 407988436 /nfs/dbraw/zinc/98/84/36/407988436.db2.gz FTCDKOMRRXAYDK-SWLSCSKDSA-N 0 3 319.361 1.526 20 5 DDBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN2CCC[C@H]2C1 ZINC000246383082 408237939 /nfs/dbraw/zinc/23/79/39/408237939.db2.gz OTVMHRMIFUDWKR-STQMWFEESA-N 0 3 318.377 1.702 20 5 DDBDHN CCN(CCNC(=O)COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000263791339 408258390 /nfs/dbraw/zinc/25/83/90/408258390.db2.gz XLGAADRRDHPHRX-UHFFFAOYSA-N 0 3 307.350 1.574 20 5 DDBDHN COc1ccc(OCCN2CC[C@@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000190401665 408236137 /nfs/dbraw/zinc/23/61/37/408236137.db2.gz SKIBTXCYIIUYPB-BXUZGUMPSA-N 0 3 310.350 1.685 20 5 DDBDHN COc1ccccc1CCN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176231175 408318216 /nfs/dbraw/zinc/31/82/16/408318216.db2.gz MCVBNXWUWOFUML-UHFFFAOYSA-N 0 3 304.350 1.974 20 5 DDBDHN CN(C)CCOc1ccc(CNc2ncc([N+](=O)[O-])cn2)cc1 ZINC000273634750 408274950 /nfs/dbraw/zinc/27/49/50/408274950.db2.gz QXPOLFNXKDBDMR-UHFFFAOYSA-N 0 3 317.349 1.937 20 5 DDBDHN CN(C)C[C@H]1CCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000263909206 408309240 /nfs/dbraw/zinc/30/92/40/408309240.db2.gz IUAYLAVMSXPHSG-CYBMUJFWSA-N 0 3 320.393 1.949 20 5 DDBDHN CN(C)[C@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000263992824 408338672 /nfs/dbraw/zinc/33/86/72/408338672.db2.gz GYFOSBANXRDVSI-NSHDSACASA-N 0 3 302.334 1.852 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@H]1CCC[NH2+]1 ZINC000166808231 162169353 /nfs/dbraw/zinc/16/93/53/162169353.db2.gz RXIHYPAGMWOIJR-LLVKDONJSA-N 0 3 313.379 1.324 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000171807612 162242526 /nfs/dbraw/zinc/24/25/26/162242526.db2.gz FWNHPVVADIPLJZ-JTQLQIEISA-N 0 3 307.354 1.191 20 5 DDBDHN CS[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270519343 408559778 /nfs/dbraw/zinc/55/97/78/408559778.db2.gz SKHSNTASQLANEE-KGLIPLIRSA-N 0 3 323.418 1.641 20 5 DDBDHN C[C@]1(O)CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248470449 408573959 /nfs/dbraw/zinc/57/39/59/408573959.db2.gz VCZWPRXSMCASAO-DOMZBBRYSA-N 0 3 310.350 1.181 20 5 DDBDHN C[C@H](O)CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000281367907 408884279 /nfs/dbraw/zinc/88/42/79/408884279.db2.gz OICSYSOMQITISU-NSHDSACASA-N 0 3 319.365 1.364 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(OC[C@@H](O)CN(C)C2CC2)c1 ZINC000290780821 408830578 /nfs/dbraw/zinc/83/05/78/408830578.db2.gz MXICEMYAPLZDIB-LBPRGKRZSA-N 0 3 324.333 1.215 20 5 DDBDHN CNC(=O)c1ccc(N2CC[C@@]3(CCN(C)C3)C2)c([N+](=O)[O-])c1 ZINC000291614651 408895526 /nfs/dbraw/zinc/89/55/26/408895526.db2.gz AJALGSFWMRNDGH-MRXNPFEDSA-N 0 3 318.377 1.486 20 5 DDBDHN Cc1cnc(NCCN2CCN(C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000281735020 408919544 /nfs/dbraw/zinc/91/95/44/408919544.db2.gz WLVHAMWPPPOXGG-UHFFFAOYSA-N 0 3 307.398 1.736 20 5 DDBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CN3CCC[C@@H]3CO2)c(Cl)c1 ZINC000227650793 163339080 /nfs/dbraw/zinc/33/90/80/163339080.db2.gz JFLGLJUACKKVPX-MWLCHTKSSA-N 0 3 312.757 1.918 20 5 DDBDHN C[C@H](N[C@H]1CCOC[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000278017602 409052158 /nfs/dbraw/zinc/05/21/58/409052158.db2.gz WFLGHYFZXJEHGE-MJVIPROJSA-N 0 3 307.350 1.936 20 5 DDBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1=CCN(C)CC1 ZINC000283246637 409120887 /nfs/dbraw/zinc/12/08/87/409120887.db2.gz UJYXDYAEQRZHCZ-SECBINFHSA-N 0 3 322.340 1.696 20 5 DDBDHN COC[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000279046008 409138968 /nfs/dbraw/zinc/13/89/68/409138968.db2.gz JXKYMGWNARTYRY-ZNMIVQPWSA-N 0 3 310.350 1.412 20 5 DDBDHN NC(=O)c1ccc(CN[C@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000279167520 409161688 /nfs/dbraw/zinc/16/16/88/409161688.db2.gz BRFSSMVVFNQKJF-MFKMUULPSA-N 0 3 307.350 1.334 20 5 DDBDHN CCCN[C@@H](C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000295525708 409330053 /nfs/dbraw/zinc/33/00/53/409330053.db2.gz WFGRQZRGEYIIRL-VIFPVBQESA-N 0 3 309.322 1.708 20 5 DDBDHN CCC(=O)c1ccc(NC[C@@](C)(O)CN(C)C)c([N+](=O)[O-])c1 ZINC000280654123 409396721 /nfs/dbraw/zinc/39/67/21/409396721.db2.gz FVCAFTNNMWTLMY-OAHLLOKOSA-N 0 3 309.366 1.912 20 5 DDBDHN Cc1nc(N[C@H](C)CCN2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000295117094 409330609 /nfs/dbraw/zinc/33/06/09/409330609.db2.gz WDYQQQWUWXUDEC-LLVKDONJSA-N 0 3 308.386 1.131 20 5 DDBDHN CN(C[C@H](O)CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000290493129 409421559 /nfs/dbraw/zinc/42/15/59/409421559.db2.gz ABHJPSJNCPVFDR-AWEZNQCLSA-N 0 3 321.377 1.113 20 5 DDBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000318746113 164033624 /nfs/dbraw/zinc/03/36/24/164033624.db2.gz YGRJQQHAHLLALN-SNVBAGLBSA-N 0 3 310.329 1.482 20 5 DDBDHN Cn1c(C(=O)NCCCNCc2cccnc2)ccc1[N+](=O)[O-] ZINC000319640888 164037768 /nfs/dbraw/zinc/03/77/68/164037768.db2.gz QMBAWVWOGLABAP-UHFFFAOYSA-N 0 3 317.349 1.238 20 5 DDBDHN COC(=O)Cc1ccc(NCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000296462074 409570728 /nfs/dbraw/zinc/57/07/28/409570728.db2.gz JJCSQSRURVDWKJ-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN C[C@H]1CCN(C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000354001356 409591731 /nfs/dbraw/zinc/59/17/31/409591731.db2.gz OAEONKCSVDAKMX-LBPRGKRZSA-N 0 3 306.366 1.559 20 5 DDBDHN Cc1c(NC(=O)C(=O)NCC(C)(C)N(C)C)cccc1[N+](=O)[O-] ZINC000298607339 410310954 /nfs/dbraw/zinc/31/09/54/410310954.db2.gz PAFLNPXIMVVJLQ-UHFFFAOYSA-N 0 3 322.365 1.298 20 5 DDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000347367527 410498180 /nfs/dbraw/zinc/49/81/80/410498180.db2.gz WVGBEEOSICRMHI-NSHDSACASA-N 0 3 307.354 1.075 20 5 DDBDHN CCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000339883949 410529327 /nfs/dbraw/zinc/52/93/27/410529327.db2.gz GYHVUZSMRQRZGM-LBPRGKRZSA-N 0 3 306.366 1.851 20 5 DDBDHN COc1cc(C(=O)NCCN(C)C2CC2)cc([N+](=O)[O-])c1C ZINC000359177615 410567416 /nfs/dbraw/zinc/56/74/16/410567416.db2.gz ZBGLJAWKXRQCQV-UHFFFAOYSA-N 0 3 307.350 1.736 20 5 DDBDHN O=[N+]([O-])c1cnc(NC[C@H]2CN3CCC[C@H]3CO2)c(Cl)c1 ZINC000300405247 410644224 /nfs/dbraw/zinc/64/42/24/410644224.db2.gz JFLGLJUACKKVPX-ONGXEEELSA-N 0 3 312.757 1.918 20 5 DDBDHN COc1ccc(CNC(=O)C(N)C(F)(F)F)cc1[N+](=O)[O-] ZINC000353153059 410816574 /nfs/dbraw/zinc/81/65/74/410816574.db2.gz QAGJFZCJTMMJRO-VIFPVBQESA-N 0 3 307.228 1.109 20 5 DDBDHN CCOC(=O)c1ccnc(NCCN(C)C2CC2)c1[N+](=O)[O-] ZINC000348184835 410842580 /nfs/dbraw/zinc/84/25/80/410842580.db2.gz IUSOZJXTNWPYFS-UHFFFAOYSA-N 0 3 308.338 1.673 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCC1(CO)COC1)CCCC2 ZINC000417313912 225290962 /nfs/dbraw/zinc/29/09/62/225290962.db2.gz XKNTVXDLVQMDIC-HNNXBMFYSA-N 0 3 306.362 1.961 20 5 DDBDHN C[C@@H]1CN(CCO)[C@@H](C)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000419336574 226121875 /nfs/dbraw/zinc/12/18/75/226121875.db2.gz XHRUDGNGMWGPDC-KGLIPLIRSA-N 0 3 307.394 1.524 20 5 DDBDHN CCN(C[C@@H](C)OC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000291348790 222330100 /nfs/dbraw/zinc/33/01/00/222330100.db2.gz XQHMJHLNLMXWPD-TZMCWYRMSA-N 0 3 312.366 1.691 20 5 DDBDHN CN(C)CCn1ccc(NC(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000338652570 418620285 /nfs/dbraw/zinc/62/02/85/418620285.db2.gz RAAFEHYAXAIBAG-UHFFFAOYSA-N 0 3 309.351 1.667 20 5 DDBDHN C[C@@H]1COCCN1CCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375610810 418661294 /nfs/dbraw/zinc/66/12/94/418661294.db2.gz HDTQXXZUGZGHKB-KGLIPLIRSA-N 0 3 323.397 1.149 20 5 DDBDHN C[C@H]1OCC[C@H]1N(CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000361587115 418688218 /nfs/dbraw/zinc/68/82/18/418688218.db2.gz UWNFTDBMEYHTSN-IUODEOHRSA-N 0 3 310.350 1.445 20 5 DDBDHN C[C@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000381423072 418729444 /nfs/dbraw/zinc/72/94/44/418729444.db2.gz AXZWTPMDMQYXBR-BQBZGAKWSA-N 0 3 307.759 1.262 20 5 DDBDHN NC1(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000424171611 228240329 /nfs/dbraw/zinc/24/03/29/228240329.db2.gz MJCCFXBNQRSUBJ-UHFFFAOYSA-N 0 3 313.741 1.372 20 5 DDBDHN CCOc1cc(CN2CC[C@@H](C(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000411951940 419516738 /nfs/dbraw/zinc/51/67/38/419516738.db2.gz PEZIPJGGACUOIU-CYBMUJFWSA-N 0 3 321.377 1.904 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000427058709 419589063 /nfs/dbraw/zinc/58/90/63/419589063.db2.gz FIPLTUINBOLBGI-GXFFZTMASA-N 0 3 307.350 1.816 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(CN(C)C)cc1 ZINC000299434231 229114460 /nfs/dbraw/zinc/11/44/60/229114460.db2.gz YDFBRYVGKYTAMI-UHFFFAOYSA-N 0 3 317.349 1.800 20 5 DDBDHN C[C@@H]1C[C@@H]1N1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000429005577 419961241 /nfs/dbraw/zinc/96/12/41/419961241.db2.gz MNMRJNRJCPYETF-UPJWGTAASA-N 0 3 307.398 1.490 20 5 DDBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1OC ZINC000429783438 420047138 /nfs/dbraw/zinc/04/71/38/420047138.db2.gz HRPNUGUWALCABE-OLZOCXBDSA-N 0 3 307.350 1.608 20 5 DDBDHN CN(C)C1(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000416291688 420310646 /nfs/dbraw/zinc/31/06/46/420310646.db2.gz PLWUVJJYHINDIM-UHFFFAOYSA-N 0 3 318.377 1.993 20 5 DDBDHN C[C@H]1CCCCN1CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420591238 420325194 /nfs/dbraw/zinc/32/51/94/420325194.db2.gz XFYVQFMHHMEAGA-NSHDSACASA-N 0 3 306.366 1.980 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000453038724 420706396 /nfs/dbraw/zinc/70/63/96/420706396.db2.gz QNEVXAKTFKROCU-RISCZKNCSA-N 0 3 321.402 1.849 20 5 DDBDHN COc1cc(CNC[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000453634469 420738925 /nfs/dbraw/zinc/73/89/25/420738925.db2.gz SXTLNUFRUSZMHM-MFKMUULPSA-N 0 3 310.350 1.863 20 5 DDBDHN CN1CCCC(C)(C)[C@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000447816464 420803364 /nfs/dbraw/zinc/80/33/64/420803364.db2.gz KYQMNOQDZMHFPG-GFCCVEGCSA-N 0 3 321.381 1.621 20 5 DDBDHN COc1cc(CNCCc2cn(C)cn2)c([N+](=O)[O-])cc1OC ZINC000459651954 420839977 /nfs/dbraw/zinc/83/99/77/420839977.db2.gz BBOCUXSWEDWLRS-UHFFFAOYSA-N 0 3 320.349 1.678 20 5 DDBDHN CN(C)C1(CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000493644472 420905656 /nfs/dbraw/zinc/90/56/56/420905656.db2.gz GCNFHQQPHVIPML-XQRVVYSFSA-N 0 3 307.325 1.958 20 5 DDBDHN O=C(N[C@H]1CNCCC1(F)F)c1ccc(F)cc1[N+](=O)[O-] ZINC000449660816 421050529 /nfs/dbraw/zinc/05/05/29/421050529.db2.gz GYUPGXIJTHHQDW-JTQLQIEISA-N 0 3 303.240 1.461 20 5 DDBDHN O=C(N[C@@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000449664577 421051972 /nfs/dbraw/zinc/05/19/72/421051972.db2.gz PWBJPMYMXNBADJ-SNVBAGLBSA-N 0 3 303.240 1.461 20 5 DDBDHN CC(COC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC1)[N+](=O)[O-] ZINC000496920741 421337964 /nfs/dbraw/zinc/33/79/64/421337964.db2.gz CIZNAPBVWDJZSB-GXSJLCMTSA-N 0 3 316.354 1.888 20 5 DDBDHN CC(COC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000497207506 421386897 /nfs/dbraw/zinc/38/68/97/421386897.db2.gz HOGKVDNZZSRZNF-UTLUCORTSA-N 0 3 304.343 1.744 20 5 DDBDHN C[C@H]1C[C@H](C)CN(CCSc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000565243511 421596996 /nfs/dbraw/zinc/59/69/96/421596996.db2.gz YWSBREKYFUVBDA-UWVGGRQHSA-N 0 3 311.411 2.037 20 5 DDBDHN C[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000572301298 421776483 /nfs/dbraw/zinc/77/64/83/421776483.db2.gz ASCGHSFVYGHJLO-LBPRGKRZSA-N 0 3 303.362 1.821 20 5 DDBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000598259940 422395225 /nfs/dbraw/zinc/39/52/25/422395225.db2.gz GNMJIEVSGJPEBL-LLVKDONJSA-N 0 3 321.381 1.422 20 5 DDBDHN COc1cc(CNC[C@@H](CO)C(C)C)c([N+](=O)[O-])cc1OC ZINC000342225466 271346095 /nfs/dbraw/zinc/34/60/95/271346095.db2.gz WVRORGIUBYMZMI-LBPRGKRZSA-N 0 3 312.366 1.966 20 5 DDBDHN CC(=O)c1cc(NCC2CCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000342230709 271346939 /nfs/dbraw/zinc/34/69/39/271346939.db2.gz SXWKORYIVPVHAA-UHFFFAOYSA-N 0 3 321.377 1.914 20 5 DDBDHN CN(CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000345660051 272298163 /nfs/dbraw/zinc/29/81/63/272298163.db2.gz RWOOTRNCPRTPGY-UHFFFAOYSA-N 0 3 314.345 1.967 20 5 DDBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C)C1 ZINC000346229193 272439688 /nfs/dbraw/zinc/43/96/88/272439688.db2.gz ROXQSCVDGWXFEA-QJPTWQEYSA-N 0 3 307.350 1.990 20 5 DDBDHN CC(C)[C@@H](CO)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000156302931 273544885 /nfs/dbraw/zinc/54/48/85/273544885.db2.gz SPSORBXCQDOGTN-CYBMUJFWSA-N 0 3 307.350 1.090 20 5 DDBDHN CCCC[C@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000236779037 275985427 /nfs/dbraw/zinc/98/54/27/275985427.db2.gz CEDCRZBQCWMKLF-ZDUSSCGKSA-N 0 3 320.393 1.761 20 5 DDBDHN C[C@@H](CN)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415658932 277570935 /nfs/dbraw/zinc/57/09/35/277570935.db2.gz RFBSPACODJFFNU-VIFPVBQESA-N 0 3 322.365 1.294 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CCCC23CCN(C)CC3)c1[N+](=O)[O-] ZINC000408067468 280187673 /nfs/dbraw/zinc/18/76/73/280187673.db2.gz CJMRCJROSMYFFF-UHFFFAOYSA-N 0 3 307.354 1.327 20 5 DDBDHN Cc1[nH]nc(C(=O)N2CCCC23CCN(C)CC3)c1[N+](=O)[O-] ZINC000408067468 280187677 /nfs/dbraw/zinc/18/76/77/280187677.db2.gz CJMRCJROSMYFFF-UHFFFAOYSA-N 0 3 307.354 1.327 20 5 DDBDHN Cc1c(CC(=O)NC[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000121834977 281145366 /nfs/dbraw/zinc/14/53/66/281145366.db2.gz DCRGXJORCLALAC-CYBMUJFWSA-N 0 3 305.378 1.904 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](C2CCOCC2)C1 ZINC000362471779 300072147 /nfs/dbraw/zinc/07/21/47/300072147.db2.gz SSNJAWXJCZQIKV-CQSZACIVSA-N 0 3 321.377 1.505 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C[C@@H]21 ZINC000364307974 300373290 /nfs/dbraw/zinc/37/32/90/300373290.db2.gz NTTLXUNWYNSWHL-HZMBPMFUSA-N 0 3 304.350 1.343 20 5 DDBDHN O=C1CC[C@@H](NCc2ccc([N+](=O)[O-])c(F)c2)[C@H](C2CC2)N1 ZINC000368501061 301042513 /nfs/dbraw/zinc/04/25/13/301042513.db2.gz ZPULKHCNVIASRR-DOMZBBRYSA-N 0 3 307.325 1.881 20 5 DDBDHN C[C@H](CO)N1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368966166 301113003 /nfs/dbraw/zinc/11/30/03/301113003.db2.gz NLCHNDLEPWJAMO-CZUORRHYSA-N 0 3 323.393 1.017 20 5 DDBDHN CC(C)CN1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000369695124 301213885 /nfs/dbraw/zinc/21/38/85/301213885.db2.gz LDNPLAWWWAAUHD-UHFFFAOYSA-N 0 3 320.393 1.862 20 5 DDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000375901208 302013206 /nfs/dbraw/zinc/01/32/06/302013206.db2.gz LCRMPXIPYXJENA-WCQYABFASA-N 0 3 304.350 1.689 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1CCC([NH3+])CC1 ZINC000051693253 302047159 /nfs/dbraw/zinc/04/71/59/302047159.db2.gz ZZOXDHPSAOZWMC-UHFFFAOYSA-N 0 3 313.379 1.451 20 5 DDBDHN COc1c(C(=O)N2CC[C@@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000527243157 302948834 /nfs/dbraw/zinc/94/88/34/302948834.db2.gz WAHOTSIUSVZOKJ-GFCCVEGCSA-N 0 3 319.361 1.914 20 5 DDBDHN C[C@H](O)CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000531143182 303232543 /nfs/dbraw/zinc/23/25/43/303232543.db2.gz QEXJAYAZUAPYJQ-ZDUSSCGKSA-N 0 3 304.350 1.674 20 5 DDBDHN CN(C)CCOCCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000538650360 303386137 /nfs/dbraw/zinc/38/61/37/303386137.db2.gz UIPWRTFFNNNZFX-UHFFFAOYSA-N 0 3 309.366 1.222 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccncc2)c1 ZINC000551574696 303633847 /nfs/dbraw/zinc/63/38/47/303633847.db2.gz NCJHJWMVHMVLKR-AWEZNQCLSA-N 0 3 303.318 1.519 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000374220998 307204199 /nfs/dbraw/zinc/20/41/99/307204199.db2.gz TYMFFXVXVZLTPF-AWEZNQCLSA-N 0 3 319.409 1.514 20 5 DDBDHN C[C@@H](CO)N1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000375505426 307227091 /nfs/dbraw/zinc/22/70/91/307227091.db2.gz HBXSXRHXIBEXJV-NSHDSACASA-N 0 3 324.337 1.396 20 5 DDBDHN CN1C[C@@H]2CCCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425059414 307301761 /nfs/dbraw/zinc/30/17/61/307301761.db2.gz ROJXDTWQYLIMSY-SWLSCSKDSA-N 0 3 318.377 1.559 20 5 DDBDHN CN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000572375681 308219838 /nfs/dbraw/zinc/21/98/38/308219838.db2.gz SZUIAXPZCLGTBV-UHFFFAOYSA-N 0 3 320.393 1.949 20 5 DDBDHN O=C1NCC[C@@H]1CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000575192652 308273284 /nfs/dbraw/zinc/27/32/84/308273284.db2.gz JMIKJCRHCFVURF-NEPJUHHUSA-N 0 3 319.365 1.002 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccc(O)cc1 ZINC000576339699 308307580 /nfs/dbraw/zinc/30/75/80/308307580.db2.gz WLEBYKNJAOIODE-AWEZNQCLSA-N 0 3 318.329 1.830 20 5 DDBDHN CN1CC[C@H](Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 ZINC000577371152 308382907 /nfs/dbraw/zinc/38/29/07/308382907.db2.gz QCUXFOWPIWFNHI-JTQLQIEISA-N 0 3 304.306 1.363 20 5 DDBDHN CNc1nc(C(=O)NCCN2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000582530248 337105483 /nfs/dbraw/zinc/10/54/83/337105483.db2.gz MEGHEPXOYKGIJW-JTQLQIEISA-N 0 3 307.354 1.103 20 5 DDBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1N(C)C ZINC000413204633 534012364 /nfs/dbraw/zinc/01/23/64/534012364.db2.gz JGXOEODFTULHRM-WDEREUQCSA-N 0 3 300.359 1.611 20 5 DDBDHN C[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000292624418 534120699 /nfs/dbraw/zinc/12/06/99/534120699.db2.gz MENBDTVFNMVOQY-SNVBAGLBSA-N 0 3 301.368 1.071 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1CCc2c1cccc2O ZINC000451180575 534319810 /nfs/dbraw/zinc/31/98/10/534319810.db2.gz TUWQIVJSDCEQRO-CQSZACIVSA-N 0 3 315.329 1.739 20 5 DDBDHN COCCN1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000158351915 523816536 /nfs/dbraw/zinc/81/65/36/523816536.db2.gz OHWOULKQNVDRQT-UHFFFAOYSA-N 0 3 320.353 1.160 20 5 DDBDHN CC(C)(CCNCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000414510000 527048320 /nfs/dbraw/zinc/04/83/20/527048320.db2.gz DAOSFYFILLOWFZ-UHFFFAOYSA-N 0 3 300.380 1.898 20 5 DDBDHN C[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000736024923 598522578 /nfs/dbraw/zinc/52/25/78/598522578.db2.gz CIPURFGQGBRUNO-SECBINFHSA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000736024923 598522579 /nfs/dbraw/zinc/52/25/79/598522579.db2.gz CIPURFGQGBRUNO-SECBINFHSA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000736024923 598522582 /nfs/dbraw/zinc/52/25/82/598522582.db2.gz CIPURFGQGBRUNO-SECBINFHSA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000736024923 598522583 /nfs/dbraw/zinc/52/25/83/598522583.db2.gz CIPURFGQGBRUNO-SECBINFHSA-N 0 3 317.353 1.670 20 5 DDBDHN C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000826023091 608587140 /nfs/dbraw/zinc/58/71/40/608587140.db2.gz XCSBFCSEXSPGGU-UHFFFAOYSA-N 0 3 315.337 1.449 20 5 DDBDHN C[N@@H+]1CC=C(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000826023091 608587141 /nfs/dbraw/zinc/58/71/41/608587141.db2.gz XCSBFCSEXSPGGU-UHFFFAOYSA-N 0 3 315.337 1.449 20 5 DDBDHN C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000826023091 608587143 /nfs/dbraw/zinc/58/71/43/608587143.db2.gz XCSBFCSEXSPGGU-UHFFFAOYSA-N 0 3 315.337 1.449 20 5 DDBDHN C[N@@H+]1CC=C(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000826023091 608587145 /nfs/dbraw/zinc/58/71/45/608587145.db2.gz XCSBFCSEXSPGGU-UHFFFAOYSA-N 0 3 315.337 1.449 20 5 DDBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119525876 696681831 /nfs/dbraw/zinc/68/18/31/696681831.db2.gz XVLOKPBOMFHTNU-SECBINFHSA-N 0 3 321.424 1.665 20 5 DDBDHN COC(=O)[C@@H](C)CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153920745 696923526 /nfs/dbraw/zinc/92/35/26/696923526.db2.gz WOEMMHMHEKODFY-NHYWBVRUSA-N 0 3 322.361 1.902 20 5 DDBDHN Cc1ncsc1CN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000981137363 697015553 /nfs/dbraw/zinc/01/55/53/697015553.db2.gz QYAGSPYINZQXCG-VXGBXAGGSA-N 0 3 324.406 1.151 20 5 DDBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000194731297 697719051 /nfs/dbraw/zinc/71/90/51/697719051.db2.gz VDNBNMMSYIWDFL-LLVKDONJSA-N 0 3 322.321 1.635 20 5 DDBDHN COC(=O)[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776590431 698123527 /nfs/dbraw/zinc/12/35/27/698123527.db2.gz DNNCWUIJMPFJST-HONMWMINSA-N 0 3 308.334 1.369 20 5 DDBDHN O=C1OCC[C@@H]1CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246983604 698358859 /nfs/dbraw/zinc/35/88/59/698358859.db2.gz QAGWSUMBXJLCBW-NWDGAFQWSA-N 0 3 320.349 1.429 20 5 DDBDHN CN1CCN(C)[C@H](CNCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783628718 698861992 /nfs/dbraw/zinc/86/19/92/698861992.db2.gz LSDHOPSENFJARQ-GFCCVEGCSA-N 0 3 312.801 1.584 20 5 DDBDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839718435 701795797 /nfs/dbraw/zinc/79/57/97/701795797.db2.gz POWFVVJUBHXFIP-SJXGUFTOSA-N 0 3 317.389 1.773 20 5 DDBDHN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102578 702291224 /nfs/dbraw/zinc/29/12/24/702291224.db2.gz SHVCUUOBQKVEEI-TZMCWYRMSA-N 0 3 320.345 1.694 20 5 DDBDHN CC(COC(=O)Cc1cc(Cl)c2c(c1)OCCO2)[N+](=O)[O-] ZINC000813110842 702297124 /nfs/dbraw/zinc/29/71/24/702297124.db2.gz KMMJTBLTRIGIFE-QMMMGPOBSA-N 0 3 315.709 1.862 20 5 DDBDHN Cc1cc(F)ccc1-n1cc(C(=O)OCC(C)[N+](=O)[O-])nn1 ZINC000813113425 702297872 /nfs/dbraw/zinc/29/78/72/702297872.db2.gz PUCSVKMERDABBZ-VIFPVBQESA-N 0 3 308.269 1.537 20 5 DDBDHN CC(COC(=O)CCCOc1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000813115312 702299259 /nfs/dbraw/zinc/29/92/59/702299259.db2.gz OUUXWXCUACMJNG-JTQLQIEISA-N 0 3 311.290 1.783 20 5 DDBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCC(=O)NCC(F)F ZINC000866351146 706679169 /nfs/dbraw/zinc/67/91/69/706679169.db2.gz MYMWXDIHCJWXAR-QMMMGPOBSA-N 0 3 319.283 1.636 20 5 DDBDHN Cc1cc(-c2noc(C[C@H]3CNCCO3)n2)cc([N+](=O)[O-])c1 ZINC000843239013 702847908 /nfs/dbraw/zinc/84/79/08/702847908.db2.gz CUUWGLHMLXDXOS-LBPRGKRZSA-N 0 3 304.306 1.484 20 5 DDBDHN O=C1O[C@@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000848677638 703574675 /nfs/dbraw/zinc/57/46/75/703574675.db2.gz FHLIKWFNDDRVCR-UONOGXRCSA-N 0 3 321.333 1.201 20 5 DDBDHN CC([C@@H](OC(=O)[C@H]1[C@@H]2COC[C@@H]21)c1ccccc1F)[N+](=O)[O-] ZINC000851108338 703780970 /nfs/dbraw/zinc/78/09/70/703780970.db2.gz MFZNZVWLFHEMKY-NQTPJRRRSA-N 0 3 309.293 1.968 20 5 DDBDHN COC(=O)c1ccnc(NCCN2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000856733290 704535923 /nfs/dbraw/zinc/53/59/23/704535923.db2.gz WCRYVEJSIIWMFC-SNVBAGLBSA-N 0 3 308.338 1.673 20 5 DDBDHN CC(C)([NH3+])C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857768265 704623166 /nfs/dbraw/zinc/62/31/66/704623166.db2.gz NYKBITMRSMXSDC-UHFFFAOYSA-N 0 3 303.265 1.420 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@](O)(c3ccccc3)C2)n1 ZINC000859585812 704943661 /nfs/dbraw/zinc/94/36/61/704943661.db2.gz CYNLNNOECVNSAF-MRXNPFEDSA-N 0 3 316.361 1.775 20 5 DDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000874845928 705200890 /nfs/dbraw/zinc/20/08/90/705200890.db2.gz YUROPSXLQFQSHA-GJZGRUSLSA-N 0 3 319.361 1.669 20 5 DDBDHN CN(CCOC(=O)c1nn(C)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000837611524 707695611 /nfs/dbraw/zinc/69/56/11/707695611.db2.gz DHNZIYUOGOUIEI-UHFFFAOYSA-N 0 3 318.333 1.617 20 5 DDBDHN CCOC(=O)c1ccnc(N2CC[C@@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000893941815 710894998 /nfs/dbraw/zinc/89/49/98/710894998.db2.gz WWXPVMKHDVDUOZ-ZYHUDNBSSA-N 0 3 320.349 1.307 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCN1CCCOCC1 ZINC000903227684 711073003 /nfs/dbraw/zinc/07/30/03/711073003.db2.gz MPMYLPUJYRPYOD-CYBMUJFWSA-N 0 3 323.393 1.976 20 5 DDBDHN C[C@@H](NC[C@H](C)CS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000932179742 714280226 /nfs/dbraw/zinc/28/02/26/714280226.db2.gz LWJBFQCKWVKZOC-WDEREUQCSA-N 0 3 300.380 1.926 20 5 DDBDHN Cc1c[nH]nc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126852018 742379363 /nfs/dbraw/zinc/37/93/63/742379363.db2.gz JNXFHGQWPRQFQB-UHFFFAOYSA-N 0 3 303.322 1.146 20 5 DDBDHN O=C(NC1CN(CCC2CCCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030294052 744027372 /nfs/dbraw/zinc/02/73/72/744027372.db2.gz VRPVNEYAFHWNER-HUUCEWRRSA-N 0 3 309.410 1.813 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccc(F)nc1 ZINC001124937363 748679485 /nfs/dbraw/zinc/67/94/85/748679485.db2.gz VFTDDKVUIRTWNP-UHFFFAOYSA-N 0 3 318.308 1.649 20 5 DDBDHN CCCN(C)CC(=O)NCCNc1ncc([N+](=O)[O-])cc1C ZINC001093787371 775078449 /nfs/dbraw/zinc/07/84/49/775078449.db2.gz AZIXQJXMWYVQIP-UHFFFAOYSA-N 0 3 309.370 1.168 20 5 DDBDHN CCCN(C)CC(=O)NCCN(CC)c1ncccc1[N+](=O)[O-] ZINC001100576554 776320690 /nfs/dbraw/zinc/32/06/90/776320690.db2.gz IJCVMMSLTSAWJJ-UHFFFAOYSA-N 0 3 323.397 1.274 20 5 DDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2nncn2CC1 ZINC001173219955 777052552 /nfs/dbraw/zinc/05/25/52/777052552.db2.gz ADLGVROIAJEPEF-LBPRGKRZSA-N 0 3 301.350 1.676 20 5 DDBDHN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001119386253 781430899 /nfs/dbraw/zinc/43/08/99/781430899.db2.gz GWPQUSZFQMLOLU-WDEREUQCSA-N 0 3 324.312 1.017 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001119984888 781709473 /nfs/dbraw/zinc/70/94/73/781709473.db2.gz WZNLULNCDVLPPQ-CHWSQXEVSA-N 0 3 306.366 1.334 20 5 DDBDHN CCOC(=O)[C@H]1CNCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC001326223374 861206747 /nfs/dbraw/zinc/20/67/47/861206747.db2.gz ZTALVYLDPORSDJ-ZQMJAJRESA-N 0 3 319.361 1.445 20 5 DDBDHN O=C(COC1CCCC1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001124097198 859577065 /nfs/dbraw/zinc/57/70/65/859577065.db2.gz RPKSVGANNGSQQN-UHFFFAOYSA-N 0 3 321.377 1.760 20 5 DDBDHN Cc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)n(C)n1 ZINC001124257587 859655755 /nfs/dbraw/zinc/65/57/55/859655755.db2.gz QAQRAQPXDDWKOX-UHFFFAOYSA-N 0 3 317.349 1.156 20 5 DDBDHN CSc1nc(Cl)c([N+](=O)[O-])c(-n2ccc([C@@H](C)N)n2)n1 ZINC001158348896 864594362 /nfs/dbraw/zinc/59/43/62/864594362.db2.gz MVZDNZHXQGAKPI-RXMQYKEDSA-N 0 3 314.758 1.966 20 5 DDBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1cc[nH]c1 ZINC001158594456 864748337 /nfs/dbraw/zinc/74/83/37/864748337.db2.gz DQTBQUSTEPFFQI-UHFFFAOYSA-N 0 3 308.363 1.894 20 5 DDBDHN Cc1ncc([N+](=O)[O-])c(N2CCCc3ccc(CN)nc32)n1 ZINC001158649490 864784908 /nfs/dbraw/zinc/78/49/08/864784908.db2.gz LRNHFCVNGWUDCP-UHFFFAOYSA-N 0 3 300.322 1.631 20 5 DDBDHN CCC1(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001165966466 869786900 /nfs/dbraw/zinc/78/69/00/869786900.db2.gz CYJUCTFZGLGMSD-UHFFFAOYSA-N 0 3 309.370 1.114 20 5 DDBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001341027563 871474910 /nfs/dbraw/zinc/47/49/10/871474910.db2.gz JBSLSTVHEIGPPN-GRYCIOLGSA-N 0 3 306.366 1.604 20 5 DDBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001341027338 871475147 /nfs/dbraw/zinc/47/51/47/871475147.db2.gz HTSJEZOJTFEXRF-FRRDWIJNSA-N 0 3 320.393 1.628 20 5 DDBDHN O=C(N[C@H]1COC2(CNC2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001341366703 871621497 /nfs/dbraw/zinc/62/14/97/871621497.db2.gz GGVMFMVVNDYECP-SECBINFHSA-N 0 3 311.725 1.109 20 5 DDBDHN O=[N+]([O-])c1ccccc1CNC[C@H](O)COC1CCOCC1 ZINC001356534107 879090750 /nfs/dbraw/zinc/09/07/50/879090750.db2.gz WJGXEFYZFUGXML-ZDUSSCGKSA-N 0 3 310.350 1.241 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@H]1COCCC13OCCO3)C2 ZINC001254576194 896511212 /nfs/dbraw/zinc/51/12/12/896511212.db2.gz VBMAOHJQUJCVLB-HIFRSBDPSA-N 0 3 320.345 1.184 20 5 DDBDHN COCCn1cnc(CN[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254580051 896513313 /nfs/dbraw/zinc/51/33/13/896513313.db2.gz AFKAAUYJUNDIHQ-AWEZNQCLSA-N 0 3 316.361 1.695 20 5 DDBDHN C[C@H]1CN(CCCCNc2c([N+](=O)[O-])cnn2C)C[C@H](C)O1 ZINC001262360007 900130834 /nfs/dbraw/zinc/13/08/34/900130834.db2.gz RUHMTQZEZYHNKK-RYUDHWBXSA-N 0 3 311.386 1.630 20 5 DDBDHN CN1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358069430 299066595 /nfs/dbraw/zinc/06/65/95/299066595.db2.gz STLAZIRADNYYRG-ZDUSSCGKSA-N 0 3 313.741 1.045 20 5 DDBDHN Cc1sc(C(=O)Nc2ccn(CCN(C)C)n2)cc1[N+](=O)[O-] ZINC000303016867 230876273 /nfs/dbraw/zinc/87/62/73/230876273.db2.gz LOLZUWKKVZUXJW-UHFFFAOYSA-N 0 3 323.378 1.975 20 5 DDBDHN CN(C)C[C@](C)(O)CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255492423 282259866 /nfs/dbraw/zinc/25/98/66/282259866.db2.gz WCBCRDSLQQTCLR-ZPIQOJFGSA-N 0 3 307.350 1.037 20 5 DDBDHN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272670164 210074318 /nfs/dbraw/zinc/07/43/18/210074318.db2.gz IRMJIGQWFFQMCZ-LBPRGKRZSA-N 0 3 303.362 1.904 20 5 DDBDHN COCCNCCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000152437260 186072346 /nfs/dbraw/zinc/07/23/46/186072346.db2.gz XAXKCHQIJCSZKJ-UHFFFAOYSA-N 0 3 313.379 1.283 20 5 DDBDHN Cc1cc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000564869561 304021086 /nfs/dbraw/zinc/02/10/86/304021086.db2.gz ZNRPGKIUDJOZKW-CYBMUJFWSA-N 0 3 320.349 1.166 20 5 DDBDHN CCOC(=O)c1ccnc(NCCN2CCCC2)c1[N+](=O)[O-] ZINC000172362249 198085170 /nfs/dbraw/zinc/08/51/70/198085170.db2.gz MRZBREWINCTGCE-UHFFFAOYSA-N 0 3 308.338 1.674 20 5 DDBDHN COC(=O)c1cc(NC(=O)NCCN(C)C)c(C)c([N+](=O)[O-])c1 ZINC000277150343 213329399 /nfs/dbraw/zinc/32/93/99/213329399.db2.gz FPVSTYPGWVJTCL-UHFFFAOYSA-N 0 3 324.337 1.373 20 5 DDBDHN Cc1c(C(=O)NCCN(C)C2CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000066924582 353025693 /nfs/dbraw/zinc/02/56/93/353025693.db2.gz JCQRSNZOXRMCHN-UHFFFAOYSA-N 0 3 322.321 1.635 20 5 DDBDHN O=[N+]([O-])c1cn(C[C@@H](O)CN2CCc3ccccc3C2)cn1 ZINC000066482907 353000243 /nfs/dbraw/zinc/00/02/43/353000243.db2.gz TZLXARHSSDNFIF-AWEZNQCLSA-N 0 3 302.334 1.211 20 5 DDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)C1CC1 ZINC000067701415 353062531 /nfs/dbraw/zinc/06/25/31/353062531.db2.gz FPDFPHZKWSVPFR-UHFFFAOYSA-N 0 3 306.366 1.485 20 5 DDBDHN COc1ccc(CC(=O)NCCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000067912074 353074663 /nfs/dbraw/zinc/07/46/63/353074663.db2.gz DNFSZHRNXIHWAO-UHFFFAOYSA-N 0 3 307.350 1.356 20 5 DDBDHN CNc1ccc(C(=O)N(C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000068192349 353095123 /nfs/dbraw/zinc/09/51/23/353095123.db2.gz ZJTHPFCKJHABRY-UHFFFAOYSA-N 0 3 306.366 1.803 20 5 DDBDHN CNC(=O)c1ccc(N[C@@H]2CCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000069000609 353140348 /nfs/dbraw/zinc/14/03/48/353140348.db2.gz XSJKHEUVCWQUTN-GFCCVEGCSA-N 0 3 306.366 1.849 20 5 DDBDHN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1 ZINC000072952888 353227209 /nfs/dbraw/zinc/22/72/09/353227209.db2.gz MAWGNAYUPRIYJD-AWEZNQCLSA-N 0 3 302.334 1.956 20 5 DDBDHN Cc1cc(NCCCCN2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000074740367 353327723 /nfs/dbraw/zinc/32/77/23/353327723.db2.gz XDCXYHQHCJAZGU-UHFFFAOYSA-N 0 3 307.398 1.738 20 5 DDBDHN COCCCN1CCCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000078302326 353509872 /nfs/dbraw/zinc/50/98/72/353509872.db2.gz LWVAZXYWEFPPAW-UHFFFAOYSA-N 0 3 308.382 1.847 20 5 DDBDHN Cc1ccc(C(=O)N(CCN(C)C)CCN(C)C)cc1[N+](=O)[O-] ZINC000103210736 353928304 /nfs/dbraw/zinc/92/83/04/353928304.db2.gz WKKQTZQUOPIGRB-UHFFFAOYSA-N 0 3 322.409 1.469 20 5 DDBDHN C[C@@H]1CN[C@@H](C)CN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000591433894 355310630 /nfs/dbraw/zinc/31/06/30/355310630.db2.gz HNDNGGKRFUIHHW-JGVFFNPUSA-N 0 3 319.408 1.246 20 5 DDBDHN CC1(C)CNCCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000591678105 355360209 /nfs/dbraw/zinc/36/02/09/355360209.db2.gz JCWVXPOAYNNFEK-UHFFFAOYSA-N 0 3 321.333 1.190 20 5 DDBDHN CCCc1[nH]nc(C(=O)Nc2cccc(CN)c2)c1[N+](=O)[O-] ZINC000592285037 355553238 /nfs/dbraw/zinc/55/32/38/355553238.db2.gz VPDMFXCJZPNTJJ-UHFFFAOYSA-N 0 3 303.322 1.981 20 5 DDBDHN CSc1ccc(C(=O)N[C@@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594451613 356221928 /nfs/dbraw/zinc/22/19/28/356221928.db2.gz OJKAUMUVXDORSX-VIFPVBQESA-N 0 3 323.296 1.936 20 5 DDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594419788 356204628 /nfs/dbraw/zinc/20/46/28/356204628.db2.gz RLEVQTSVLOLULK-STQMWFEESA-N 0 3 318.377 1.924 20 5 DDBDHN NC(=O)c1ccnc(N[C@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594596964 356259945 /nfs/dbraw/zinc/25/99/45/356259945.db2.gz BPNWVDFWHOWSND-RYUDHWBXSA-N 0 3 319.365 1.518 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000595607968 356574168 /nfs/dbraw/zinc/57/41/68/356574168.db2.gz MDIBRYNZNAZYDG-ZDUSSCGKSA-N 0 3 317.349 1.587 20 5 DDBDHN O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000595943503 356716871 /nfs/dbraw/zinc/71/68/71/356716871.db2.gz QEVBLDYDEGNWNP-LBPRGKRZSA-N 0 3 317.305 1.231 20 5 DDBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)[C@@H]2C1 ZINC000596189725 356806561 /nfs/dbraw/zinc/80/65/61/356806561.db2.gz QGHLRECYVULPHF-QMTHXVAHSA-N 0 3 304.350 1.224 20 5 DDBDHN COc1cc(NC[C@@]2(O)CCN(C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596198045 356810342 /nfs/dbraw/zinc/81/03/42/356810342.db2.gz PMDIYUXKIRAFIA-ZDUSSCGKSA-N 0 3 315.757 1.735 20 5 DDBDHN O=c1[n-]ccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000596129670 356784926 /nfs/dbraw/zinc/78/49/26/356784926.db2.gz ILIVACPKYONRDT-NSHDSACASA-N 0 3 322.365 1.608 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000597859805 357362135 /nfs/dbraw/zinc/36/21/35/357362135.db2.gz YHYYXJJETDVDPL-GFCCVEGCSA-N 0 3 323.397 1.479 20 5 DDBDHN CCCN1CC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000598342485 357545311 /nfs/dbraw/zinc/54/53/11/357545311.db2.gz JBUZRGUUVCDAOP-LBPRGKRZSA-N 0 3 307.350 1.574 20 5 DDBDHN COC(=O)c1ccnc(N[C@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000598600361 357648600 /nfs/dbraw/zinc/64/86/00/357648600.db2.gz AVUSQFCIORDKOK-ZJUUUORDSA-N 0 3 320.349 1.814 20 5 DDBDHN CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CN2CCC1CC2 ZINC000347915175 283299952 /nfs/dbraw/zinc/29/99/52/283299952.db2.gz ILSZFEUHYWMQBZ-HNNXBMFYSA-N 0 3 318.377 1.559 20 5 DDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CCN1C1CCCCC1 ZINC000600229135 358163713 /nfs/dbraw/zinc/16/37/13/358163713.db2.gz PWLAWDBKMXZPGW-ZDUSSCGKSA-N 0 3 321.381 1.315 20 5 DDBDHN C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1 ZINC000237406192 202255752 /nfs/dbraw/zinc/25/57/52/202255752.db2.gz GJQPYLVMNOGMGN-CHWSQXEVSA-N 0 3 320.393 1.996 20 5 DDBDHN CC[C@H](C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000601775626 358689723 /nfs/dbraw/zinc/68/97/23/358689723.db2.gz GQPHFJGCRNNMSC-HIFRSBDPSA-N 0 3 309.366 1.259 20 5 DDBDHN O=[N+]([O-])c1cn(C[C@]2(O)CCN(Cc3ccccc3)C2)cn1 ZINC000601953302 358751156 /nfs/dbraw/zinc/75/11/56/358751156.db2.gz DXNQTOIYSIPRIM-HNNXBMFYSA-N 0 3 302.334 1.428 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](c2cc[nH]n2)C1 ZINC000602769910 359178408 /nfs/dbraw/zinc/17/84/08/359178408.db2.gz XIBOWZZJKUOYKO-LBPRGKRZSA-N 0 3 304.354 1.702 20 5 DDBDHN COCCNC(=O)C1(NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602687028 359126185 /nfs/dbraw/zinc/12/61/85/359126185.db2.gz HGXQRPSRZBDANY-UHFFFAOYSA-N 0 3 307.350 1.022 20 5 DDBDHN COC(=O)CCC1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602789549 359193164 /nfs/dbraw/zinc/19/31/64/359193164.db2.gz XHTRRLLTKRGCQL-UHFFFAOYSA-N 0 3 324.381 1.765 20 5 DDBDHN C[C@@H]1CC(C)(C)C[C@@](CO)(NCc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602793212 359195029 /nfs/dbraw/zinc/19/50/29/359195029.db2.gz HXJNLILJEOHGSZ-ABAIWWIYSA-N 0 3 310.398 1.995 20 5 DDBDHN Cn1cncc1CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000602817943 359212759 /nfs/dbraw/zinc/21/27/59/359212759.db2.gz KNKAFDZZAMFLLQ-UHFFFAOYSA-N 0 3 304.354 1.404 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CSCCN2)c1 ZINC000603418624 359628609 /nfs/dbraw/zinc/62/86/09/359628609.db2.gz HUSNZFNKHBXGGI-SNVBAGLBSA-N 0 3 311.363 1.498 20 5 DDBDHN Cc1nc(N2CCC(OCCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000348371879 283486333 /nfs/dbraw/zinc/48/63/33/283486333.db2.gz YHXXJAFMOOXMFC-UHFFFAOYSA-N 0 3 308.382 1.845 20 5 DDBDHN C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000359029746 299311581 /nfs/dbraw/zinc/31/15/81/299311581.db2.gz SOWIHTXJBXYJCS-NWDGAFQWSA-N 0 3 321.381 1.796 20 5 DDBDHN CCOc1ccc([C@H](C)N[C@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000349206368 283873829 /nfs/dbraw/zinc/87/38/29/283873829.db2.gz ACIQIVNYTDENKS-JQWIXIFHSA-N 0 3 307.350 1.923 20 5 DDBDHN N[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000261996163 203169371 /nfs/dbraw/zinc/16/93/71/203169371.db2.gz NDNMIWFVNWVFHL-CQSZACIVSA-N 0 3 307.350 1.007 20 5 DDBDHN CCN(C)CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134642095 284333494 /nfs/dbraw/zinc/33/34/94/284333494.db2.gz HICPCRHKYROFKP-UHFFFAOYSA-N 0 3 304.350 1.687 20 5 DDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000288473187 220165138 /nfs/dbraw/zinc/16/51/38/220165138.db2.gz QNGMAAAPGGREKA-WCQYABFASA-N 0 3 318.377 1.876 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC[NH2+]CC2)c(Cl)c1 ZINC000019232188 182110185 /nfs/dbraw/zinc/11/01/85/182110185.db2.gz ZVIIBDNTAWKEKD-UHFFFAOYSA-N 0 3 319.770 1.279 20 5 DDBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H]1CN1CCCCC1 ZINC000132198134 284767220 /nfs/dbraw/zinc/76/72/20/284767220.db2.gz OEUKJOFUIRGNJN-LLVKDONJSA-N 0 3 307.354 1.408 20 5 DDBDHN CSc1ccc(C(=O)NC[C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000110653772 194346627 /nfs/dbraw/zinc/34/66/27/194346627.db2.gz VGIDGPZWWIGNEB-JTQLQIEISA-N 0 3 309.391 1.998 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(CN(C)C)c1 ZINC000065731992 184377853 /nfs/dbraw/zinc/37/78/53/184377853.db2.gz UCIOAGLYQUOBLT-UHFFFAOYSA-N 0 3 317.349 1.800 20 5 DDBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000272969451 210352879 /nfs/dbraw/zinc/35/28/79/210352879.db2.gz BETPXVWPUCPMJR-ZIAGYGMSSA-N 0 3 324.377 1.835 20 5 DDBDHN Cn1cc(CN2CCC[C@@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000158749109 197297943 /nfs/dbraw/zinc/29/79/43/197297943.db2.gz HHIRCFUHZUXURE-OAHLLOKOSA-N 0 3 316.361 1.952 20 5 DDBDHN CCCCNC(=O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157960839 197230802 /nfs/dbraw/zinc/23/08/02/197230802.db2.gz SNCRHMMWDAAHCM-UHFFFAOYSA-N 0 3 323.397 1.420 20 5 DDBDHN COC[C@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000452035169 533130386 /nfs/dbraw/zinc/13/03/86/533130386.db2.gz GDRVOODIDLLGDF-KGLIPLIRSA-N 0 3 324.377 1.835 20 5 DDBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000157152723 197165936 /nfs/dbraw/zinc/16/59/36/197165936.db2.gz SIUOQMCXZLWAGP-DGCLKSJQSA-N 0 3 318.377 1.733 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CO)C(C)C ZINC000156371962 197107890 /nfs/dbraw/zinc/10/78/90/197107890.db2.gz LURNZQDCYNNKNE-GFCCVEGCSA-N 0 3 311.338 1.148 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000414662654 533226307 /nfs/dbraw/zinc/22/63/07/533226307.db2.gz ZLWPSSNMCDJCBP-VHSXEESVSA-N 0 3 308.338 1.818 20 5 DDBDHN CC1(C)CCCN1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000579731468 422823047 /nfs/dbraw/zinc/82/30/47/422823047.db2.gz URULXVWATATJOB-UHFFFAOYSA-N 0 3 307.354 1.176 20 5 DDBDHN C[C@H]1C[C@H](N(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCN1C ZINC000123246561 407323826 /nfs/dbraw/zinc/32/38/26/407323826.db2.gz WHTUENXVUYFUOZ-NWDGAFQWSA-N 0 3 323.397 1.468 20 5 DDBDHN COc1cc(C[NH2+]CCc2cnn(C)c2)c([N+](=O)[O-])cc1[O-] ZINC000101593981 407312603 /nfs/dbraw/zinc/31/26/03/407312603.db2.gz XYVSZYPIRNKPKK-UHFFFAOYSA-N 0 3 306.322 1.375 20 5 DDBDHN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000111304071 407407070 /nfs/dbraw/zinc/40/70/70/407407070.db2.gz AAIGBFRZURKLBV-ZETCQYMHSA-N 0 3 307.759 1.264 20 5 DDBDHN CCCCN(C)CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000112310097 407425676 /nfs/dbraw/zinc/42/56/76/407425676.db2.gz ZOXDXTMIFXQLHP-UHFFFAOYSA-N 0 3 309.366 1.822 20 5 DDBDHN CCS(=O)(=O)NCCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000127698491 407454883 /nfs/dbraw/zinc/45/48/83/407454883.db2.gz BIXKXZFTQQHHBJ-NSHDSACASA-N 0 3 315.395 1.575 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000128548459 407548869 /nfs/dbraw/zinc/54/88/69/407548869.db2.gz CLDIVELLORBZQE-WDEREUQCSA-N 0 3 323.397 1.487 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H](C3OCCO3)C2)c1 ZINC000178859899 407630878 /nfs/dbraw/zinc/63/08/78/407630878.db2.gz WGOPHAAYUSPEPK-DZGCQCFKSA-N 0 3 322.361 1.713 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000115436588 407681054 /nfs/dbraw/zinc/68/10/54/407681054.db2.gz DEFCFJGWPWKJDD-CYBMUJFWSA-N 0 3 323.397 1.290 20 5 DDBDHN C[C@@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])[C@H](C)CN1 ZINC000237463489 407821703 /nfs/dbraw/zinc/82/17/03/407821703.db2.gz QBRLMXRXHKWRGY-JYBZGJHDSA-N 0 3 307.325 1.956 20 5 DDBDHN Cn1cc(CN(CCO)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153592120 407857800 /nfs/dbraw/zinc/85/78/00/407857800.db2.gz CRRGFQHPEAFECC-UHFFFAOYSA-N 0 3 316.361 1.952 20 5 DDBDHN Cc1c(NC(=O)C(=O)NCCN(C)C(C)C)cccc1[N+](=O)[O-] ZINC000118123365 407900034 /nfs/dbraw/zinc/90/00/34/407900034.db2.gz PALMDZPEYULKQY-UHFFFAOYSA-N 0 3 322.365 1.298 20 5 DDBDHN CNC(=O)c1ccc(N(C)[C@@H]2CCN(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000267599236 407849261 /nfs/dbraw/zinc/84/92/61/407849261.db2.gz JBFABSXIDMFDPH-WCQYABFASA-N 0 3 320.393 1.731 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000268216224 407951433 /nfs/dbraw/zinc/95/14/33/407951433.db2.gz PNXGBLYEUFLPCL-SKDRFNHKSA-N 0 3 304.350 1.390 20 5 DDBDHN COc1cc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000268162933 407923121 /nfs/dbraw/zinc/92/31/21/407923121.db2.gz ILSBHFSSDNCDSJ-GWCFXTLKSA-N 0 3 319.361 1.816 20 5 DDBDHN O=C(c1n[nH]c2c1CNCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000188292595 407932925 /nfs/dbraw/zinc/93/29/25/407932925.db2.gz TXEXCTBIWGGGAQ-UHFFFAOYSA-N 0 3 313.317 1.167 20 5 DDBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000137398995 408153888 /nfs/dbraw/zinc/15/38/88/408153888.db2.gz HSXOLVZQDWWPKX-LBPRGKRZSA-N 0 3 317.349 1.221 20 5 DDBDHN CCN(CCO)CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000190785775 408318535 /nfs/dbraw/zinc/31/85/35/408318535.db2.gz BBFFXTNGPMYYAC-UHFFFAOYSA-N 0 3 323.393 1.762 20 5 DDBDHN CN(C)C[C@@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000263938635 408322086 /nfs/dbraw/zinc/32/20/86/408322086.db2.gz YNMYFEMPKYYSKX-ZDUSSCGKSA-N 0 3 307.350 1.526 20 5 DDBDHN COc1ccc(OCCN2CC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183197094 408348964 /nfs/dbraw/zinc/34/89/64/408348964.db2.gz MVDYXJUNXOXCFN-RYUDHWBXSA-N 0 3 310.350 1.685 20 5 DDBDHN Nc1c(C(=O)N2CC[C@@H](N3CCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000171439603 162217827 /nfs/dbraw/zinc/21/78/27/162217827.db2.gz NLVWVVKQMPHAJZ-LLVKDONJSA-N 0 3 322.340 1.626 20 5 DDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000247369718 408458988 /nfs/dbraw/zinc/45/89/88/408458988.db2.gz KRXSLTVHWKYVIE-CHWSQXEVSA-N 0 3 321.377 1.772 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCCN2CC)n1 ZINC000191810810 408496747 /nfs/dbraw/zinc/49/67/47/408496747.db2.gz DAIYWXXOYJGKTH-NSHDSACASA-N 0 3 309.370 1.415 20 5 DDBDHN O=C(NCC1CCN(CCO)CC1)c1ccccc1[N+](=O)[O-] ZINC000160575847 408499083 /nfs/dbraw/zinc/49/90/83/408499083.db2.gz KGRKGSISSIWLIR-UHFFFAOYSA-N 0 3 307.350 1.029 20 5 DDBDHN CN(C)[C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000264502049 408514329 /nfs/dbraw/zinc/51/43/29/408514329.db2.gz YFARPEDMWLGIMG-LLVKDONJSA-N 0 3 317.349 1.637 20 5 DDBDHN CCN(CCO)CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000274598734 408465052 /nfs/dbraw/zinc/46/50/52/408465052.db2.gz WPHGTMAKDZRAPB-UHFFFAOYSA-N 0 3 320.349 1.120 20 5 DDBDHN Cc1cc(C(=O)NC[C@H](O)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000160311893 408470880 /nfs/dbraw/zinc/47/08/80/408470880.db2.gz BCNQLKJUZSUPMB-AWEZNQCLSA-N 0 3 321.377 1.480 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000248479640 408577509 /nfs/dbraw/zinc/57/75/09/408577509.db2.gz ZXVGBDRWWXNVCC-CHWSQXEVSA-N 0 3 310.350 1.445 20 5 DDBDHN CS[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000270472331 408542401 /nfs/dbraw/zinc/54/24/01/408542401.db2.gz MASCERNFDFQXOA-UONOGXRCSA-N 0 3 323.418 1.641 20 5 DDBDHN CN(CCN(C)C1CC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248686021 408615566 /nfs/dbraw/zinc/61/55/66/408615566.db2.gz HGOXBEFITKWLNQ-CQSZACIVSA-N 0 3 323.393 1.361 20 5 DDBDHN CC[C@@H]1CN(CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1O ZINC000270855084 408709539 /nfs/dbraw/zinc/70/95/39/408709539.db2.gz HGYXFZWRMWGFDJ-BXUZGUMPSA-N 0 3 310.350 1.685 20 5 DDBDHN COCCN1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000265653650 408730918 /nfs/dbraw/zinc/73/09/18/408730918.db2.gz XZLJFJJBDVHVBS-ZDUSSCGKSA-N 0 3 322.365 1.115 20 5 DDBDHN CS(=O)(=O)CCCCCNCc1cccc([N+](=O)[O-])c1 ZINC000185206498 408779555 /nfs/dbraw/zinc/77/95/55/408779555.db2.gz SDAWWPGMFZMNFK-UHFFFAOYSA-N 0 3 300.380 1.899 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCCN1CCC(O)CC1 ZINC000192513899 163225443 /nfs/dbraw/zinc/22/54/43/163225443.db2.gz LPWBVZYVWRHTEB-UHFFFAOYSA-N 0 3 311.386 1.378 20 5 DDBDHN C[C@H]1COCC[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000277439631 408941135 /nfs/dbraw/zinc/94/11/35/408941135.db2.gz LFDRRGDPNRBGAF-SMDDNHRTSA-N 0 3 307.350 1.572 20 5 DDBDHN CCCN(CCN1CCCCC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000286207677 408942033 /nfs/dbraw/zinc/94/20/33/408942033.db2.gz BIUBMKAWAMEYFA-UHFFFAOYSA-N 0 3 308.386 1.669 20 5 DDBDHN CN1CCN(CCNc2ccc(N)cc2[N+](=O)[O-])CC1(C)C ZINC000286347984 408967597 /nfs/dbraw/zinc/96/75/97/408967597.db2.gz HEKRSCAMQZKCSW-UHFFFAOYSA-N 0 3 307.398 1.615 20 5 DDBDHN CO[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000282271347 409024141 /nfs/dbraw/zinc/02/41/41/409024141.db2.gz HPWSVYHUXSHRAZ-VHDGCEQUSA-N 0 3 324.377 1.834 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@]3(CCN(C)C3)C2)n1 ZINC000292364792 409027824 /nfs/dbraw/zinc/02/78/24/409027824.db2.gz ROSAVQBQLCGLEG-HNNXBMFYSA-N 0 3 320.349 1.308 20 5 DDBDHN C[C@H](N[C@@H]1CCOC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000277900432 409031832 /nfs/dbraw/zinc/03/18/32/409031832.db2.gz OXZJRPDDRNPVKG-UHIISALHSA-N 0 3 307.350 1.936 20 5 DDBDHN C[C@@H](NC[C@@H]1CN(C)CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293668332 409158020 /nfs/dbraw/zinc/15/80/20/409158020.db2.gz JPMLFWIXVHELFN-DGCLKSJQSA-N 0 3 307.398 1.073 20 5 DDBDHN COC[C@H](NCCOc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000279155848 409159730 /nfs/dbraw/zinc/15/97/30/409159730.db2.gz ZHMWAYVNCCININ-GXTWGEPZSA-N 0 3 310.350 1.757 20 5 DDBDHN CN(C)CCn1nccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000294150988 409250028 /nfs/dbraw/zinc/25/00/28/409250028.db2.gz RMLOPMMWWWKNQI-UHFFFAOYSA-N 0 3 317.349 1.534 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN[C@@]2(CO)CCc3ccccc32)c1 ZINC000305255590 164001298 /nfs/dbraw/zinc/00/12/98/164001298.db2.gz WJXXPUIMBFNZJM-OAHLLOKOSA-N 0 3 302.334 1.215 20 5 DDBDHN Cc1[nH]nc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000295425856 409475518 /nfs/dbraw/zinc/47/55/18/409475518.db2.gz UJKSOZLRZBBUIA-VIFPVBQESA-N 0 3 307.354 1.183 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CCN(C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000295425856 409475522 /nfs/dbraw/zinc/47/55/22/409475522.db2.gz UJKSOZLRZBBUIA-VIFPVBQESA-N 0 3 307.354 1.183 20 5 DDBDHN CNC(=O)c1ccc(N(C)[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000354080689 409635846 /nfs/dbraw/zinc/63/58/46/409635846.db2.gz WVVQOHZKOIOJKM-ZDUSSCGKSA-N 0 3 318.377 1.627 20 5 DDBDHN COc1c(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000331520071 409594266 /nfs/dbraw/zinc/59/42/66/409594266.db2.gz NVPNIHAVQHHCIW-MFKMUULPSA-N 0 3 319.361 1.816 20 5 DDBDHN Cc1sc(C(=O)NCCNc2ccncc2)cc1[N+](=O)[O-] ZINC000338070107 409696667 /nfs/dbraw/zinc/69/66/67/409696667.db2.gz NZDHMIGUYUYJMV-UHFFFAOYSA-N 0 3 306.347 1.624 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000342471208 409658731 /nfs/dbraw/zinc/65/87/31/409658731.db2.gz WUPHNLZKBSKSRV-HZMBPMFUSA-N 0 3 319.361 1.816 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000342474126 409663031 /nfs/dbraw/zinc/66/30/31/409663031.db2.gz NKYCPKNBIQTKAA-XPTSAGLGSA-N 0 3 307.325 1.946 20 5 DDBDHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357038010 409809417 /nfs/dbraw/zinc/80/94/17/409809417.db2.gz MXMJGVPQAQTVDH-GHMZBOCLSA-N 0 3 307.354 1.027 20 5 DDBDHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357038015 409810821 /nfs/dbraw/zinc/81/08/21/409810821.db2.gz MXMJGVPQAQTVDH-WDEREUQCSA-N 0 3 307.354 1.027 20 5 DDBDHN CNc1ccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000317099099 409861140 /nfs/dbraw/zinc/86/11/40/409861140.db2.gz BIAQNKFBILJHQE-ZYHUDNBSSA-N 0 3 306.366 1.849 20 5 DDBDHN Cc1[nH]nc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346244100 409870456 /nfs/dbraw/zinc/87/04/56/409870456.db2.gz UNHIFFSBEGBRHS-HOSYDEDBSA-N 0 3 321.381 1.429 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346244100 409870461 /nfs/dbraw/zinc/87/04/61/409870461.db2.gz UNHIFFSBEGBRHS-HOSYDEDBSA-N 0 3 321.381 1.429 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)N1C ZINC000339617409 410331118 /nfs/dbraw/zinc/33/11/18/410331118.db2.gz NIWCFUDNCHPELC-MCIONIFRSA-N 0 3 323.393 1.359 20 5 DDBDHN CC[C@H](C)N[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccco1 ZINC000359554368 410726603 /nfs/dbraw/zinc/72/66/03/410726603.db2.gz IXPQKDSZFDGXOF-GXSJLCMTSA-N 0 3 321.337 1.770 20 5 DDBDHN CCCN(C)CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000348207819 410855654 /nfs/dbraw/zinc/85/56/54/410855654.db2.gz YRRHLJUOXJEEMF-UHFFFAOYSA-N 0 3 307.350 1.526 20 5 DDBDHN Cc1c(NC(=O)CCN2CCN(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000330679537 410873920 /nfs/dbraw/zinc/87/39/20/410873920.db2.gz XUKXPQRVZUZRBZ-LBPRGKRZSA-N 0 3 320.393 1.868 20 5 DDBDHN CCCN(C)CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331160268 410988101 /nfs/dbraw/zinc/98/81/01/410988101.db2.gz COZMKLZQXXVUNJ-UHFFFAOYSA-N 0 3 309.370 1.297 20 5 DDBDHN C[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H](C)CN1 ZINC000356391914 411004233 /nfs/dbraw/zinc/00/42/33/411004233.db2.gz QLVJZVCGSGUPQH-VXGBXAGGSA-N 0 3 306.366 1.240 20 5 DDBDHN C[C@H]1NCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000417232137 225257623 /nfs/dbraw/zinc/25/76/23/225257623.db2.gz LZFFDIXVFZYAPM-NEPJUHHUSA-N 0 3 306.366 1.529 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(C)[C@H](C)C1 ZINC000361075666 418578291 /nfs/dbraw/zinc/57/82/91/418578291.db2.gz CQBZEACTWVTGIC-MNOVXSKESA-N 0 3 306.366 1.849 20 5 DDBDHN Cc1c(CN2CCCN([C@@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000375487321 418646871 /nfs/dbraw/zinc/64/68/71/418646871.db2.gz VSKKFGUQCOZBAB-ZDUSSCGKSA-N 0 3 307.394 1.792 20 5 DDBDHN Cc1ccc([C@@H](C)NCCNc2cnccn2)cc1[N+](=O)[O-] ZINC000361981246 418734624 /nfs/dbraw/zinc/73/46/24/418734624.db2.gz NQCSUVQZHUPITC-GFCCVEGCSA-N 0 3 301.350 2.456 20 5 DDBDHN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000364924587 418822353 /nfs/dbraw/zinc/82/23/53/418822353.db2.gz AXJYWWQSPNTYKW-YUELXQCFSA-N 0 3 303.362 1.723 20 5 DDBDHN COC1(CN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CCOCC1 ZINC000365426242 418859733 /nfs/dbraw/zinc/85/97/33/418859733.db2.gz UXVYBMISGHFPKG-ZDUSSCGKSA-N 0 3 324.381 1.624 20 5 DDBDHN CN1CCC2(CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000372724416 418895459 /nfs/dbraw/zinc/89/54/59/418895459.db2.gz DFVJLDTZHBJCLY-UHFFFAOYSA-N 0 3 318.377 1.877 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](O)C[C@H]1C ZINC000411413827 418901682 /nfs/dbraw/zinc/90/16/82/418901682.db2.gz AONLDTWRLPHYJY-PWSUYJOCSA-N 0 3 323.349 1.387 20 5 DDBDHN Cc1cc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000372943698 418915036 /nfs/dbraw/zinc/91/50/36/418915036.db2.gz CFPNLPUTFBOTBO-KBPBESRZSA-N 0 3 319.361 1.496 20 5 DDBDHN Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000417822247 419341957 /nfs/dbraw/zinc/34/19/57/419341957.db2.gz FJFLUCYWYMXEQC-AAEUAGOBSA-N 0 3 322.365 1.252 20 5 DDBDHN C[C@@H]1COCC[C@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000432235689 229089112 /nfs/dbraw/zinc/08/91/12/229089112.db2.gz LIQYHSSRJQIUKT-DFBGVHRSSA-N 0 3 319.361 1.715 20 5 DDBDHN CN1CCNC[C@H]1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423517858 420069579 /nfs/dbraw/zinc/06/95/79/420069579.db2.gz OJFZKFMBVPZIDI-GOEBONIOSA-N 0 3 304.394 1.465 20 5 DDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CNCCO1 ZINC000415770375 420170923 /nfs/dbraw/zinc/17/09/23/420170923.db2.gz YSLKCAUKAOSYHN-GFCCVEGCSA-N 0 3 308.338 1.267 20 5 DDBDHN CC(C)N1CC[C@@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000457103536 420615686 /nfs/dbraw/zinc/61/56/86/420615686.db2.gz BCCOXQFXPYEDAL-CQSZACIVSA-N 0 3 321.377 1.915 20 5 DDBDHN CN(C)CC(C)(C)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000458442582 420659554 /nfs/dbraw/zinc/65/95/54/420659554.db2.gz AVKDHDRBIIYWEX-UHFFFAOYSA-N 0 3 308.382 1.777 20 5 DDBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000447994165 420831310 /nfs/dbraw/zinc/83/13/10/420831310.db2.gz TTWINYWTFATHKT-CYBMUJFWSA-N 0 3 321.381 1.654 20 5 DDBDHN O=C(/C=C\c1ccccc1[N+](=O)[O-])N[C@H]1CNCCC1(F)F ZINC000493447393 420852904 /nfs/dbraw/zinc/85/29/04/420852904.db2.gz GJUJRMDRXBGXKC-FJOGCWAESA-N 0 3 311.288 1.721 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](O)[C@H](C3CCCC3)C2)n1 ZINC000459785948 420871609 /nfs/dbraw/zinc/87/16/09/420871609.db2.gz CPHHRPHAIRWGQY-UONOGXRCSA-N 0 3 308.382 1.664 20 5 DDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N(C)C ZINC000448677394 420880930 /nfs/dbraw/zinc/88/09/30/420880930.db2.gz MGSHJWQMSHXMGG-LLVKDONJSA-N 0 3 317.349 1.460 20 5 DDBDHN CC(C)C[C@H](Nc1ccc([N+](=O)[O-])nc1)C(=O)NCCN(C)C ZINC000450414751 421194982 /nfs/dbraw/zinc/19/49/82/421194982.db2.gz ZQAUTLAUOYLMON-ZDUSSCGKSA-N 0 3 323.397 1.494 20 5 DDBDHN C[C@]1(CO)CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000546810968 421310808 /nfs/dbraw/zinc/31/08/08/421310808.db2.gz DRBANJHDLSYPCQ-SWLSCSKDSA-N 0 3 310.350 1.181 20 5 DDBDHN COC[C@H](C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000526115923 421332696 /nfs/dbraw/zinc/33/26/96/421332696.db2.gz IYZUTEYEIKOAOE-LLVKDONJSA-N 0 3 316.379 1.241 20 5 DDBDHN CNc1nccc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000563547531 421520639 /nfs/dbraw/zinc/52/06/39/421520639.db2.gz VNYFWYKXLQCKLU-WDEREUQCSA-N 0 3 321.381 1.586 20 5 DDBDHN CNc1nccc(C(=O)N[C@@H]2CCCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000566923421 421609848 /nfs/dbraw/zinc/60/98/48/421609848.db2.gz IAPSDPPAUXJFHE-LLVKDONJSA-N 0 3 321.381 1.634 20 5 DDBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H](C)C1 ZINC000554128840 421632579 /nfs/dbraw/zinc/63/25/79/421632579.db2.gz SWZXXCGQGZBWGH-OUCADQQQSA-N 0 3 320.393 1.736 20 5 DDBDHN CC(=O)NCCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000570716104 421664568 /nfs/dbraw/zinc/66/45/68/421664568.db2.gz ZKCLJXNAXJXZDE-UHFFFAOYSA-N 0 3 322.365 1.300 20 5 DDBDHN C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCCC1 ZINC000541846803 421807728 /nfs/dbraw/zinc/80/77/28/421807728.db2.gz WEZQPMYXRKVROH-SNVBAGLBSA-N 0 3 321.333 1.538 20 5 DDBDHN CN1CC[C@@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])C[C@@H]21 ZINC000574999801 422234468 /nfs/dbraw/zinc/23/44/68/422234468.db2.gz SDAGXBYHKDJLDT-OTYXRUKQSA-N 0 3 315.333 1.384 20 5 DDBDHN CO[C@H](C)[C@@H](C)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000341474288 271086042 /nfs/dbraw/zinc/08/60/42/271086042.db2.gz DUVLAODOPVRKNJ-JTNHKYCSSA-N 0 3 307.350 1.713 20 5 DDBDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000345938382 272370030 /nfs/dbraw/zinc/37/00/30/272370030.db2.gz WMMSORNREDMMFW-BETUJISGSA-N 0 3 320.393 1.996 20 5 DDBDHN CN(C)CCOCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000346023604 272391655 /nfs/dbraw/zinc/39/16/55/272391655.db2.gz YVBXJUBOAHTAHE-UHFFFAOYSA-N 0 3 321.333 1.649 20 5 DDBDHN C[C@@H](CN1CCN(C)CC1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000155085874 274218784 /nfs/dbraw/zinc/21/87/84/274218784.db2.gz RENGXNFUOGPKPP-KBPBESRZSA-N 0 3 306.410 1.881 20 5 DDBDHN CN(C)c1cc(F)c(C(=O)NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000279138328 276799355 /nfs/dbraw/zinc/79/93/55/276799355.db2.gz FTYLTOKMJMTITJ-UHFFFAOYSA-N 0 3 324.356 1.624 20 5 DDBDHN C[C@@H]1Cc2ccccc2CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247347530 282047682 /nfs/dbraw/zinc/04/76/82/282047682.db2.gz GLQMLHMIUYTUQV-MLGOLLRUSA-N 0 3 316.361 1.599 20 5 DDBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@H](CO)C3CCOCC3)nc2c1 ZINC000361608973 299904893 /nfs/dbraw/zinc/90/48/93/299904893.db2.gz ICCVDXZUMJBARY-CQSZACIVSA-N 0 3 320.349 1.348 20 5 DDBDHN COc1ccc(NC(=O)CCN2CCCOCC2)c([N+](=O)[O-])c1 ZINC000363379681 300259870 /nfs/dbraw/zinc/25/98/70/300259870.db2.gz VHWKUBSIHYSSNX-UHFFFAOYSA-N 0 3 323.349 1.654 20 5 DDBDHN CC(=O)N1CCC[C@H]1[C@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000364350382 300382250 /nfs/dbraw/zinc/38/22/50/300382250.db2.gz XTEZEFSDJIXDSR-CABCVRRESA-N 0 3 321.381 1.267 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](OCC3CC3)C2)c1 ZINC000364451244 300398866 /nfs/dbraw/zinc/39/88/66/300398866.db2.gz XOMNTTZCINUWGM-CABCVRRESA-N 0 3 324.381 1.043 20 5 DDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000371869265 301507426 /nfs/dbraw/zinc/50/74/26/301507426.db2.gz FVSUALXLVNJQPD-LLVKDONJSA-N 0 3 319.365 1.272 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CC[NH2+]C[C@H]1C ZINC000262808405 302048619 /nfs/dbraw/zinc/04/86/19/302048619.db2.gz XNIHRYPAAWKSAO-GHMZBOCLSA-N 0 3 313.379 1.180 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1C[NH2+]CC[C@H]1C ZINC000193403647 302049455 /nfs/dbraw/zinc/04/94/55/302049455.db2.gz DXANEFXUYJDBAD-MWLCHTKSSA-N 0 3 313.379 1.180 20 5 DDBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000376398158 302072395 /nfs/dbraw/zinc/07/23/95/302072395.db2.gz UTPYUGMPSWTDEK-QWRGUYRKSA-N 0 3 307.354 1.027 20 5 DDBDHN Cn1ccc(N2CC[C@@H](NCc3ccccc3[N+](=O)[O-])C2)n1 ZINC000378480253 302332401 /nfs/dbraw/zinc/33/24/01/302332401.db2.gz ZJSXSLWYZLLGCY-CYBMUJFWSA-N 0 3 301.350 1.697 20 5 DDBDHN Cn1ccnc1[C@@H]1CNCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000261812875 302998536 /nfs/dbraw/zinc/99/85/36/302998536.db2.gz SUXNYYMTFKOQKK-HNNXBMFYSA-N 0 3 315.377 1.517 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC12CCN(C)CC2 ZINC000408072039 303052848 /nfs/dbraw/zinc/05/28/48/303052848.db2.gz QHWPRJADIHCYHX-UHFFFAOYSA-N 0 3 307.354 1.029 20 5 DDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882869 303263306 /nfs/dbraw/zinc/26/33/06/303263306.db2.gz TYSJVOLNDDNDGX-ZDUSSCGKSA-N 0 3 322.365 1.173 20 5 DDBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547755799 303551873 /nfs/dbraw/zinc/55/18/73/303551873.db2.gz AFWFOVWHCOSHSN-MXWKQRLJSA-N 0 3 309.370 1.414 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN[C@H]2c3ccccc3CC[C@H]2CO)c1 ZINC000364584067 307048821 /nfs/dbraw/zinc/04/88/21/307048821.db2.gz PDMIDWNIPQNKLQ-XJKSGUPXSA-N 0 3 316.361 1.677 20 5 DDBDHN CC(C)OC(=O)CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365121064 307059450 /nfs/dbraw/zinc/05/94/50/307059450.db2.gz IOMDPODIZSOWCR-UHFFFAOYSA-N 0 3 310.354 1.770 20 5 DDBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000366473778 307074608 /nfs/dbraw/zinc/07/46/08/307074608.db2.gz LEOOZNGLQGJYJD-LLVKDONJSA-N 0 3 309.322 1.171 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](c2ccco2)C1 ZINC000367142449 307087032 /nfs/dbraw/zinc/08/70/32/307087032.db2.gz WRUWXULKRUQLLF-LBPRGKRZSA-N 0 3 303.318 1.839 20 5 DDBDHN Cc1c(NC(=O)CCN2C[C@@H](O)C3(CC3)C2)cccc1[N+](=O)[O-] ZINC000372358655 307168507 /nfs/dbraw/zinc/16/85/07/307168507.db2.gz NUEHCSSKQJCHBP-CQSZACIVSA-N 0 3 319.361 1.689 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC([C@H]2CCOC2)C1 ZINC000373633733 307193312 /nfs/dbraw/zinc/19/33/12/307193312.db2.gz BWLFPKJQOWIUND-JSGCOSHPSA-N 0 3 322.361 1.303 20 5 DDBDHN O=C1NC[C@H]2CN(CCOc3ccccc3[N+](=O)[O-])CC[C@@H]12 ZINC000377683739 307275854 /nfs/dbraw/zinc/27/58/54/307275854.db2.gz UZVIEAWEUMLMOZ-NWDGAFQWSA-N 0 3 305.334 1.042 20 5 DDBDHN CC[C@@H]1CN(C)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000575384152 308275957 /nfs/dbraw/zinc/27/59/57/308275957.db2.gz GMFYCFXZOOUOFS-CYBMUJFWSA-N 0 3 320.393 1.949 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)[C@@H](C)[NH3+])cc1C ZINC000381427550 325741755 /nfs/dbraw/zinc/74/17/55/325741755.db2.gz BWOJGLJRNQZPSZ-NXEZZACHSA-N 0 3 301.368 1.226 20 5 DDBDHN COC(=O)[C@]12CN(Cc3ccccc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000375681024 483952203 /nfs/dbraw/zinc/95/22/03/483952203.db2.gz XCGDDSMIFWPQFI-XJKSGUPXSA-N 0 3 320.345 1.606 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@]2(C)CC[NH2+]C2)cc1C ZINC000230734947 484169184 /nfs/dbraw/zinc/16/91/84/484169184.db2.gz WRWKFFOGGJFIKN-ZDUSSCGKSA-N 0 3 313.379 1.242 20 5 DDBDHN CC(C)(C)c1ccc(C(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423985948 526767555 /nfs/dbraw/zinc/76/75/55/526767555.db2.gz FBJHADYBRHWCOM-GFCCVEGCSA-N 0 3 321.377 1.611 20 5 DDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])n1C ZINC000434062955 527895877 /nfs/dbraw/zinc/89/58/77/527895877.db2.gz PIDWIYZNIOZQER-NEPJUHHUSA-N 0 3 306.366 1.632 20 5 DDBDHN CCN1C[C@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000459478309 527972489 /nfs/dbraw/zinc/97/24/89/527972489.db2.gz MZXGJZARRJVXGU-STQMWFEESA-N 0 3 308.382 1.171 20 5 DDBDHN CC(C)N(Cc1cccnc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305712143 528956751 /nfs/dbraw/zinc/95/67/51/528956751.db2.gz YFLOAENFMACBBY-HNNXBMFYSA-N 0 3 319.365 1.458 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](c3ccccn3)C2)c1 ZINC000799191556 700127707 /nfs/dbraw/zinc/12/77/07/700127707.db2.gz NAELIFJNSVYBRE-OCCSQVGLSA-N 0 3 317.349 1.037 20 5 DDBDHN Cc1nn(CN(C)C[C@@H]2CCCOC2)c2ncc([N+](=O)[O-])cc12 ZINC000749951792 700193716 /nfs/dbraw/zinc/19/37/16/700193716.db2.gz CVHUJLKVBKSUPM-LBPRGKRZSA-N 0 3 319.365 1.964 20 5 DDBDHN CCN1CCN([C@H](C)CNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804348631 701181285 /nfs/dbraw/zinc/18/12/85/701181285.db2.gz CRIXYMCGXJWQIO-GFCCVEGCSA-N 0 3 307.398 1.615 20 5 DDBDHN Cc1nn(CCC(=O)OCC(C)[N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000813104568 702292125 /nfs/dbraw/zinc/29/21/25/702292125.db2.gz DVLCEWRLEALHIP-ZETCQYMHSA-N 0 3 300.271 1.007 20 5 DDBDHN CC(C)C(=O)Nc1nc(CC(=O)OCC(C)[N+](=O)[O-])cs1 ZINC000813103741 702292329 /nfs/dbraw/zinc/29/23/29/702292329.db2.gz SCHPJECNRSQGGF-MRVPVSSYSA-N 0 3 315.351 1.489 20 5 DDBDHN COc1ccc(-n2nnc(C(=O)OCC(C)[N+](=O)[O-])c2C)cc1 ZINC000813107322 702294150 /nfs/dbraw/zinc/29/41/50/702294150.db2.gz PDFTWBUZUWZTEM-VIFPVBQESA-N 0 3 320.305 1.406 20 5 DDBDHN CC(=O)N[C@H](CC(=O)OCC(C)[N+](=O)[O-])c1ccc(C)cc1 ZINC000813108424 702295043 /nfs/dbraw/zinc/29/50/43/702295043.db2.gz FTTZVNQVEOIMRM-BXUZGUMPSA-N 0 3 308.334 1.771 20 5 DDBDHN CC(COC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)[N+](=O)[O-] ZINC000813112768 702298101 /nfs/dbraw/zinc/29/81/01/702298101.db2.gz KQYNOHPCIRKTHX-SECBINFHSA-N 0 3 317.301 1.165 20 5 DDBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)[N+](=O)[O-] ZINC000813113857 702298374 /nfs/dbraw/zinc/29/83/74/702298374.db2.gz VNERIHATECSFIK-AAEUAGOBSA-N 0 3 306.318 1.500 20 5 DDBDHN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113945 702299293 /nfs/dbraw/zinc/29/92/93/702299293.db2.gz WTJWLKBJMDEEGR-QMTHXVAHSA-N 0 3 306.318 1.168 20 5 DDBDHN CC(COC(=O)c1cc(Cl)ccc1-n1cncn1)[N+](=O)[O-] ZINC000842801751 702776423 /nfs/dbraw/zinc/77/64/23/702776423.db2.gz KRGXZETVZITCRX-QMMMGPOBSA-N 0 3 310.697 1.743 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H](CO)CC(F)(F)F)cc1 ZINC000843089419 702816461 /nfs/dbraw/zinc/81/64/61/702816461.db2.gz STZINOKUGFISFB-MWLCHTKSSA-N 0 3 308.256 1.531 20 5 DDBDHN CC(COC(=O)c1ccc(Nc2ccn(C)n2)cc1)[N+](=O)[O-] ZINC000851036029 703774765 /nfs/dbraw/zinc/77/47/65/703774765.db2.gz DSPWUHGSGYCUMD-SNVBAGLBSA-N 0 3 304.306 1.986 20 5 DDBDHN CC(COC(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1)[N+](=O)[O-] ZINC000851037231 703774816 /nfs/dbraw/zinc/77/48/16/703774816.db2.gz SSFROPVLGPAEAQ-GHMZBOCLSA-N 0 3 324.308 1.777 20 5 DDBDHN CC(COC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccc(F)c1)[N+](=O)[O-] ZINC000870377671 704014752 /nfs/dbraw/zinc/01/47/52/704014752.db2.gz RXDALAJNYBIHTI-IUPBHXKESA-N 0 3 324.308 1.554 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@](O)(C3CC3)C2)c1 ZINC000852500985 704064494 /nfs/dbraw/zinc/06/44/94/704064494.db2.gz HFWBVBZQQYVKLA-JKSUJKDBSA-N 0 3 306.362 1.865 20 5 DDBDHN CCO[C@@H]1C[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1OC ZINC000819226943 704090382 /nfs/dbraw/zinc/09/03/82/704090382.db2.gz MANXAJQGPYJHHC-YJNKXOJESA-N 0 3 310.350 1.410 20 5 DDBDHN Cc1noc(CONC(=N)COC[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000853728799 704306402 /nfs/dbraw/zinc/30/64/02/704306402.db2.gz ODPPKGNDGAIPTL-VIFPVBQESA-N 0 3 314.298 1.085 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CO)CN(C)C)cc1Cl ZINC000854467703 704402560 /nfs/dbraw/zinc/40/25/60/704402560.db2.gz JQYGKEGHVBFWRN-SECBINFHSA-N 0 3 315.757 1.209 20 5 DDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000855163810 704471792 /nfs/dbraw/zinc/47/17/92/704471792.db2.gz GIXVDKDEPLLODO-NSHDSACASA-N 0 3 306.366 1.780 20 5 DDBDHN C[NH2+]C[C@@H](C)[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765009 704621945 /nfs/dbraw/zinc/62/19/45/704621945.db2.gz HZXCRTZGUZUKMR-MRVPVSSYSA-N 0 3 303.265 1.291 20 5 DDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000874834924 705191977 /nfs/dbraw/zinc/19/19/77/705191977.db2.gz VSDQGCGDVDSDSB-NWDGAFQWSA-N 0 3 304.350 1.486 20 5 DDBDHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000861352440 705441486 /nfs/dbraw/zinc/44/14/86/705441486.db2.gz JDISQSIEPGTBPT-SMDDNHRTSA-N 0 3 302.371 1.474 20 5 DDBDHN O=[N+]([O-])c1c(N[C@H]2CCCN(CCCO)C2)nc2ccccn21 ZINC000828461380 706184189 /nfs/dbraw/zinc/18/41/89/706184189.db2.gz VHIYYYYQFSFHEG-LBPRGKRZSA-N 0 3 319.365 1.501 20 5 DDBDHN CC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000829243265 706308108 /nfs/dbraw/zinc/30/81/08/706308108.db2.gz AEMJWUXICUFJFM-GFCCVEGCSA-N 0 3 320.393 1.875 20 5 DDBDHN CC(=O)N1C[C@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000880311478 706937538 /nfs/dbraw/zinc/93/75/38/706937538.db2.gz IDPVNZGVHSDACN-IJEWVQPXSA-N 0 3 319.361 1.038 20 5 DDBDHN NC(=O)c1ccc(CN2CC[C@H]([C@@H]3CCCO3)C2)c([N+](=O)[O-])c1 ZINC000886827925 708855625 /nfs/dbraw/zinc/85/56/25/708855625.db2.gz UFWDTHKRSMIRMS-ZFWWWQNUSA-N 0 3 319.361 1.695 20 5 DDBDHN C[C@H]1[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCN1C ZINC000928444783 713198842 /nfs/dbraw/zinc/19/88/42/713198842.db2.gz MLGGHNJTRINTNB-GXSJLCMTSA-N 0 3 302.334 1.899 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCN1C ZINC000928450122 713202315 /nfs/dbraw/zinc/20/23/15/713202315.db2.gz SHNDEZSYVZZIEP-CABZTGNLSA-N 0 3 321.333 1.188 20 5 DDBDHN O=C1C[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CN1CC1CC1 ZINC000905452090 712041408 /nfs/dbraw/zinc/04/14/08/712041408.db2.gz MUWRXCTVXANAGW-UKRRQHHQSA-N 0 3 319.361 1.229 20 5 DDBDHN Cc1c(CNC(=O)N[C@H]2CCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000922167839 713980931 /nfs/dbraw/zinc/98/09/31/713980931.db2.gz GYRKRBHXFFHQOL-AAEUAGOBSA-N 0 3 306.366 1.795 20 5 DDBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924474620 714590527 /nfs/dbraw/zinc/59/05/27/714590527.db2.gz MMJQGVYNEAVGDW-CABZTGNLSA-N 0 3 306.322 1.138 20 5 DDBDHN Cc1ccc([C@@H](C)N2C(=O)N[C@H](CN(C)C)C2=O)cc1[N+](=O)[O-] ZINC000924795673 714666071 /nfs/dbraw/zinc/66/60/71/714666071.db2.gz YLSIEAWDXAECII-ZYHUDNBSSA-N 0 3 320.349 1.446 20 5 DDBDHN C[C@@H](c1ccc([N+](=O)[O-])cc1)N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924902048 714692439 /nfs/dbraw/zinc/69/24/39/714692439.db2.gz VTEBIXBOFNECRJ-JOYOIKCWSA-N 0 3 306.322 1.138 20 5 DDBDHN C[C@H]1[C@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCN1C ZINC000925333470 714815586 /nfs/dbraw/zinc/81/55/86/714815586.db2.gz FCMYAZQJCBSDHA-SMDDNHRTSA-N 0 3 318.377 1.755 20 5 DDBDHN Cn1cc(CN2CCCC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])n1 ZINC000934832074 714912717 /nfs/dbraw/zinc/91/27/17/714912717.db2.gz NIFDRDMJQCTBSO-CHWSQXEVSA-N 0 3 308.382 1.967 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000935663226 715112641 /nfs/dbraw/zinc/11/26/41/715112641.db2.gz PTQBLFVXBLGYAW-ZDUSSCGKSA-N 0 3 321.381 1.233 20 5 DDBDHN Cc1nc(C)c(CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001002787134 743428783 /nfs/dbraw/zinc/42/87/83/743428783.db2.gz GBWACVHXJFZNHZ-CHWSQXEVSA-N 0 3 322.365 1.037 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CC1CCC1 ZINC001156186360 761943601 /nfs/dbraw/zinc/94/36/01/761943601.db2.gz LADARTOEWBIIPC-UHFFFAOYSA-N 0 3 309.370 1.114 20 5 DDBDHN CCOC(=O)c1cccc([N+](=O)[O-])c1-n1ccc([C@H](C)N)n1 ZINC001169232719 762293123 /nfs/dbraw/zinc/29/31/23/762293123.db2.gz IZVGVSDWBBIUFQ-VIFPVBQESA-N 0 3 304.306 1.977 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CN1C1CC1 ZINC001137492696 766350135 /nfs/dbraw/zinc/35/01/35/766350135.db2.gz XKJYELPGUCOFHQ-RNFRBKRXSA-N 0 3 313.745 1.326 20 5 DDBDHN Cc1n[nH]c(C)c1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001135421322 771511243 /nfs/dbraw/zinc/51/12/43/771511243.db2.gz WQLZZMMBYAARLS-UHFFFAOYSA-N 0 3 317.349 1.454 20 5 DDBDHN O=C(Cc1ccco1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001135587420 771590075 /nfs/dbraw/zinc/59/00/75/771590075.db2.gz YZLLCUQBEDWHOM-UHFFFAOYSA-N 0 3 303.318 1.636 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)no1 ZINC001148647892 773549021 /nfs/dbraw/zinc/54/90/21/773549021.db2.gz AHPWZQDFGJJRJR-UHFFFAOYSA-N 0 3 324.724 1.756 20 5 DDBDHN CCN(CC)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001110148471 775027620 /nfs/dbraw/zinc/02/76/20/775027620.db2.gz CIEOHHNCOQBEDI-UHFFFAOYSA-N 0 3 320.393 1.997 20 5 DDBDHN Cc1nc(NCCCNC(=O)CN(C)C(C)C)ccc1[N+](=O)[O-] ZINC001094456936 775895952 /nfs/dbraw/zinc/89/59/52/775895952.db2.gz VJQMMURAMFDJBS-UHFFFAOYSA-N 0 3 323.397 1.557 20 5 DDBDHN COC(=O)C1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906194 776917134 /nfs/dbraw/zinc/91/71/34/776917134.db2.gz WNYCGXWHZOHYLG-CQSZACIVSA-N 0 3 304.346 1.947 20 5 DDBDHN CC[C@H](N[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(N)=O ZINC001173176095 777033894 /nfs/dbraw/zinc/03/38/94/777033894.db2.gz XIRXBZLRULHVMT-SCZZXKLOSA-N 0 3 313.329 1.527 20 5 DDBDHN CCCN(C)CC(=O)N(C)CCNc1ncc([N+](=O)[O-])cc1C ZINC001101705841 777416382 /nfs/dbraw/zinc/41/63/82/777416382.db2.gz ZPWWBGFMXCCKDQ-UHFFFAOYSA-N 0 3 323.397 1.510 20 5 DDBDHN CCOC(=O)[C@@H]1C[C@H]1CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001175323486 777751328 /nfs/dbraw/zinc/75/13/28/777751328.db2.gz MWRJIJVVBZUNQY-SGIREYDYSA-N 0 3 322.361 1.591 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC(c3ncccn3)CC2)n1 ZINC001176293960 778105233 /nfs/dbraw/zinc/10/52/33/778105233.db2.gz ANTCLRUHVXZUTI-UHFFFAOYSA-N 0 3 302.338 1.461 20 5 DDBDHN COc1ncnc(N2CCCc3ccc(CN)nc32)c1[N+](=O)[O-] ZINC001158652289 864788303 /nfs/dbraw/zinc/78/83/03/864788303.db2.gz NELDHQXIAQCASB-UHFFFAOYSA-N 0 3 316.321 1.331 20 5 DDBDHN C[C@H](Nc1ccc2cccc([N+](=O)[O-])c2n1)[C@H]1CNCCO1 ZINC001159498836 865349968 /nfs/dbraw/zinc/34/99/68/865349968.db2.gz RMYXGYNDRNSIAN-GXFFZTMASA-N 0 3 302.334 1.932 20 5 DDBDHN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(Nc2ccc(CN)nc2)n1 ZINC001160406739 865819318 /nfs/dbraw/zinc/81/93/18/865819318.db2.gz UWIJXYNKAXBRER-UHFFFAOYSA-N 0 3 317.309 1.249 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1-c1nc([C@@H]2CN3CCC2CC3)no1 ZINC001321126765 867339943 /nfs/dbraw/zinc/33/99/43/867339943.db2.gz XCPBJUGVPYMDSG-LLVKDONJSA-N 0 3 303.322 1.793 20 5 DDBDHN O=[N+]([O-])c1cc[n+]([O-])c(NC[C@@H]2Cc3ccccc3CN2)c1 ZINC001163269971 868287777 /nfs/dbraw/zinc/28/77/77/868287777.db2.gz IOCCLZVAICZSSB-ZDUSSCGKSA-N 0 3 300.318 1.355 20 5 DDBDHN Cn1nnnc1CCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC001335576904 868397229 /nfs/dbraw/zinc/39/72/29/868397229.db2.gz CFVFOHYGBQTJIX-UHFFFAOYSA-N 0 3 310.745 1.494 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2ccc(-n3cnc4c3CNCC4)nn2)cc1 ZINC001164317075 869120183 /nfs/dbraw/zinc/12/01/83/869120183.db2.gz WQUAOZUGPFKQRF-UHFFFAOYSA-N 0 3 322.328 1.883 20 5 DDBDHN NC1(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001337069740 869305218 /nfs/dbraw/zinc/30/52/18/869305218.db2.gz ZQUMEGUJPQBMAV-UHFFFAOYSA-N 0 3 314.139 1.465 20 5 DDBDHN O=[N+]([O-])c1cc[n+]([O-])c(N2C[C@H]3c4ccccc4CN[C@@H]3C2)c1 ZINC001165349464 869535590 /nfs/dbraw/zinc/53/55/90/869535590.db2.gz ARDZKQQUIWAXAO-LSDHHAIUSA-N 0 3 312.329 1.304 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCN1C ZINC001303799175 871155546 /nfs/dbraw/zinc/15/55/46/871155546.db2.gz DHFCYMBXQYIYGB-CABZTGNLSA-N 0 3 311.769 2.000 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@H](C)CN[C@H](C)[C@H]1C ZINC001344845978 873143092 /nfs/dbraw/zinc/14/30/92/873143092.db2.gz HRYNSSNXOUBUDQ-GMTAPVOTSA-N 0 3 309.370 1.087 20 5 DDBDHN CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C(C)(C)C1 ZINC001472059017 877631621 /nfs/dbraw/zinc/63/16/21/877631621.db2.gz RQPYGYMVEUITRT-CYBMUJFWSA-N 0 3 306.366 1.637 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@](C)(CO)[C@H](O)C1 ZINC001254553294 896499367 /nfs/dbraw/zinc/49/93/67/896499367.db2.gz UQIKMOKMRJMVPR-DAXOMENPSA-N 0 3 308.378 1.591 20 5 DDBDHN COc1ccc(NC(=O)N2CC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000272857354 210250781 /nfs/dbraw/zinc/25/07/81/210250781.db2.gz RMVZCTBLWHAIHC-LLVKDONJSA-N 0 3 308.338 1.771 20 5 DDBDHN CO[C@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000451864617 231216057 /nfs/dbraw/zinc/21/60/57/231216057.db2.gz ZXEVRKUAACTEAM-KGLIPLIRSA-N 0 3 321.377 1.646 20 5 DDBDHN CC[C@H](NCCN1C(=O)CNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000181527584 199311873 /nfs/dbraw/zinc/31/18/73/199311873.db2.gz TVFQECCFFLTJIU-LBPRGKRZSA-N 0 3 306.322 1.187 20 5 DDBDHN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 ZINC000616092300 362543379 /nfs/dbraw/zinc/54/33/79/362543379.db2.gz YLGJRGYFHQYFQQ-OAHLLOKOSA-N 0 3 316.361 1.966 20 5 DDBDHN C[C@H](NCCC(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000159256171 290755285 /nfs/dbraw/zinc/75/52/85/290755285.db2.gz LTBUZKBAHFSUIP-LBPRGKRZSA-N 0 3 307.350 1.494 20 5 DDBDHN CN(CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CC1 ZINC000063116542 352905635 /nfs/dbraw/zinc/90/56/35/352905635.db2.gz JHXUXSDRPXVHBT-UHFFFAOYSA-N 0 3 302.334 1.900 20 5 DDBDHN Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(N)n2)N(C)C)cc1 ZINC000064114117 352930510 /nfs/dbraw/zinc/93/05/10/352930510.db2.gz KWSNGBWKCGUPQH-LBPRGKRZSA-N 0 3 316.365 1.990 20 5 DDBDHN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccccc1 ZINC000074237175 353301893 /nfs/dbraw/zinc/30/18/93/353301893.db2.gz GXODKEKQUJJFEO-NSHDSACASA-N 0 3 302.338 1.682 20 5 DDBDHN O=[N+]([O-])c1ccc(CNCC[C@@]2(O)CCOC2)c(Cl)c1 ZINC000404209093 354674752 /nfs/dbraw/zinc/67/47/52/354674752.db2.gz OXIGVIFBERNODY-CYBMUJFWSA-N 0 3 300.742 1.879 20 5 DDBDHN CN(C)C[C@@H](CO)Nc1ncc([N+](=O)[O-])cc1Br ZINC000589101775 354959210 /nfs/dbraw/zinc/95/92/10/354959210.db2.gz KMWVYDDKAZIDSM-ZETCQYMHSA-N 0 3 319.159 1.087 20 5 DDBDHN CCc1nn(C)c(N2CC[C@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000590141912 355053243 /nfs/dbraw/zinc/05/32/43/355053243.db2.gz JDIWNYZSVIIZLW-OAHLLOKOSA-N 0 3 307.398 1.813 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000590446354 355099801 /nfs/dbraw/zinc/09/98/01/355099801.db2.gz UTPAZNMRFOSNOL-RISCZKNCSA-N 0 3 321.402 1.849 20 5 DDBDHN Cc1n[nH]cc1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591724944 355372223 /nfs/dbraw/zinc/37/22/23/355372223.db2.gz ZKBCMHKJJNSPBF-UHFFFAOYSA-N 0 3 303.322 1.745 20 5 DDBDHN CC1(C)CN[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000591675191 355359178 /nfs/dbraw/zinc/35/91/78/355359178.db2.gz XYQDKDBHJZRSAH-CQSZACIVSA-N 0 3 318.377 1.241 20 5 DDBDHN COC(=O)[C@@H]1CNCCCN1Cc1cccc([N+](=O)[O-])c1C ZINC000592488855 355596831 /nfs/dbraw/zinc/59/68/31/355596831.db2.gz MLWIBOFFIFXVQU-AWEZNQCLSA-N 0 3 307.350 1.240 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593392999 355871393 /nfs/dbraw/zinc/87/13/93/355871393.db2.gz XNIDTGJGLDMQFM-ZDUSSCGKSA-N 0 3 309.341 1.877 20 5 DDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594198110 356137125 /nfs/dbraw/zinc/13/71/25/356137125.db2.gz CXFPOGWXZNSHNF-KGLIPLIRSA-N 0 3 321.381 1.315 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H]1CCS(=O)(=O)C1 ZINC000594489824 356236195 /nfs/dbraw/zinc/23/61/95/356236195.db2.gz FDZWDKHFPJWBPJ-GXFFZTMASA-N 0 3 310.375 1.606 20 5 DDBDHN C[C@H](N[C@H]1CCc2c(nnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594522375 356241815 /nfs/dbraw/zinc/24/18/15/356241815.db2.gz QNQZKFBIAZAKRJ-JQWIXIFHSA-N 0 3 301.350 1.931 20 5 DDBDHN C[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000594815643 356326220 /nfs/dbraw/zinc/32/62/20/356326220.db2.gz AFFCFWUBZPHHQV-SECBINFHSA-N 0 3 319.358 1.352 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCN1CCOC[C@@H]1C ZINC000595014363 356372218 /nfs/dbraw/zinc/37/22/18/356372218.db2.gz UZQSVCQCXNYJJO-QWHCGFSZSA-N 0 3 323.393 1.975 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@]1(O)CCN(C)C1 ZINC000595032294 356374401 /nfs/dbraw/zinc/37/44/01/356374401.db2.gz MCVGCLPUDOIYEC-XHDPSFHLSA-N 0 3 309.366 1.321 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](CO)[C@@H]1CCOC1 ZINC000595055151 356377315 /nfs/dbraw/zinc/37/73/15/356377315.db2.gz UCFYIRKTLJWLEM-XQQFMLRXSA-N 0 3 324.377 1.899 20 5 DDBDHN CC[C@H](C)[C@@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000237052374 202136667 /nfs/dbraw/zinc/13/66/67/202136667.db2.gz JKSBZNFYNNBZHD-SWLSCSKDSA-N 0 3 320.393 1.617 20 5 DDBDHN COc1ccc(OCCN2C[C@H](C)[C@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000595872663 356686860 /nfs/dbraw/zinc/68/68/60/356686860.db2.gz KLOYHUHEBMQXKW-LRDDRELGSA-N 0 3 324.377 1.933 20 5 DDBDHN C[NH+]1CCC([C@H]2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC000596173832 356801794 /nfs/dbraw/zinc/80/17/94/356801794.db2.gz AJZHOTLLDBTPCO-LBPRGKRZSA-N 0 3 306.366 1.864 20 5 DDBDHN Cc1ccc(S(=O)(=O)NCCNC2CC2)c(C)c1[N+](=O)[O-] ZINC000598716266 357701692 /nfs/dbraw/zinc/70/16/92/357701692.db2.gz FZBOHCDMWDJWCC-UHFFFAOYSA-N 0 3 313.379 1.242 20 5 DDBDHN CN1CCOC[C@H]1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599079788 357808867 /nfs/dbraw/zinc/80/88/67/357808867.db2.gz OWYPWWUHNMOKCZ-GDBMZVCRSA-N 0 3 305.378 1.892 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCN1CC[C@H](O)C1 ZINC000599093322 357813374 /nfs/dbraw/zinc/81/33/74/357813374.db2.gz ORZYPVSBWGZMAV-YPMHNXCESA-N 0 3 309.366 1.321 20 5 DDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN1C ZINC000600693791 358285089 /nfs/dbraw/zinc/28/50/89/358285089.db2.gz RQLGJUXIEXLIDA-NSHDSACASA-N 0 3 307.350 1.818 20 5 DDBDHN CN(C)C[C@@H]1CCCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601127428 358413289 /nfs/dbraw/zinc/41/32/89/358413289.db2.gz GHIOEKZEXONZKA-QMMMGPOBSA-N 0 3 321.303 1.878 20 5 DDBDHN NC(=O)[C@H]1C[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602724534 359149880 /nfs/dbraw/zinc/14/98/80/359149880.db2.gz VIBGKABKAOMSLC-CZMCAQCFSA-N 0 3 317.267 1.967 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](c2cccnc2)C1 ZINC000602851496 359238357 /nfs/dbraw/zinc/23/83/57/359238357.db2.gz KRRFVMFIYYBNJR-AWEZNQCLSA-N 0 3 301.350 1.984 20 5 DDBDHN C[C@H]1CC[C@](CO)(N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000187982218 200186658 /nfs/dbraw/zinc/18/66/58/200186658.db2.gz VYNUQHZYQBGADJ-ZBEGNZNMSA-N 0 3 321.377 1.677 20 5 DDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000618923667 363803717 /nfs/dbraw/zinc/80/37/17/363803717.db2.gz KAHYGGIRGQZZON-HNNXBMFYSA-N 0 3 307.350 1.124 20 5 DDBDHN Cn1nnnc1CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618985528 363828080 /nfs/dbraw/zinc/82/80/80/363828080.db2.gz GIWWUHSIMRWKNW-CYBMUJFWSA-N 0 3 316.365 1.673 20 5 DDBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000288473182 220165126 /nfs/dbraw/zinc/16/51/26/220165126.db2.gz QNGMAAAPGGREKA-AAEUAGOBSA-N 0 3 318.377 1.876 20 5 DDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000288473190 220165427 /nfs/dbraw/zinc/16/54/27/220165427.db2.gz QNGMAAAPGGREKA-YPMHNXCESA-N 0 3 318.377 1.876 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)CN1CCCCC1 ZINC000288516171 220194269 /nfs/dbraw/zinc/19/42/69/220194269.db2.gz NJFIDXDZWJSVRG-CQSZACIVSA-N 0 3 321.377 1.100 20 5 DDBDHN C[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])CN(C)C ZINC000336848634 249255205 /nfs/dbraw/zinc/25/52/05/249255205.db2.gz LSGRAKIENYLLLL-SNVBAGLBSA-N 0 3 315.395 1.608 20 5 DDBDHN CN(C)[C@@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000103945146 193967206 /nfs/dbraw/zinc/96/72/06/193967206.db2.gz WTAUDDRPJIKSRN-GFCCVEGCSA-N 0 3 306.366 1.559 20 5 DDBDHN NC[C@H]1c2ccccc2CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000567354082 304214322 /nfs/dbraw/zinc/21/43/22/304214322.db2.gz WLECINZEOHOZEZ-ZDUSSCGKSA-N 0 3 300.318 1.621 20 5 DDBDHN COc1cc(CN(CCOCCO)C(C)C)ccc1[N+](=O)[O-] ZINC000338590856 250044987 /nfs/dbraw/zinc/04/49/87/250044987.db2.gz FOQRXVIFCADKKO-UHFFFAOYSA-N 0 3 312.366 1.823 20 5 DDBDHN C[C@H]1C[C@H](O)CN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000340921167 251277539 /nfs/dbraw/zinc/27/75/39/251277539.db2.gz XLEBANITEIXGNR-JQWIXIFHSA-N 0 3 321.333 1.348 20 5 DDBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000341068135 251365800 /nfs/dbraw/zinc/36/58/00/251365800.db2.gz YCTMWNUAEPMJRT-RYUDHWBXSA-N 0 3 309.370 1.170 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC2(CCOCC2)C1 ZINC000270613916 285221277 /nfs/dbraw/zinc/22/12/77/285221277.db2.gz ZXSKSFPVXZMHFH-UHFFFAOYSA-N 0 3 321.377 1.649 20 5 DDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCN(C)C1CC1 ZINC000352741082 285268407 /nfs/dbraw/zinc/26/84/07/285268407.db2.gz VRLZVCBUIMTQJZ-UHFFFAOYSA-N 0 3 306.366 1.830 20 5 DDBDHN Cc1n[nH]c(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000352820993 285320778 /nfs/dbraw/zinc/32/07/78/285320778.db2.gz RPDFTKVLHXIVLU-NXEZZACHSA-N 0 3 309.370 1.477 20 5 DDBDHN COCCN(C)CCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000122022324 195392251 /nfs/dbraw/zinc/39/22/51/195392251.db2.gz NSSGADMKGDNZRH-UHFFFAOYSA-N 0 3 309.366 1.601 20 5 DDBDHN COc1cccc(C(=O)N[C@H](C)C2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000444366718 533415341 /nfs/dbraw/zinc/41/53/41/533415341.db2.gz YBHCDAWBFGPAFJ-LLVKDONJSA-N 0 3 319.361 1.984 20 5 DDBDHN C[C@@H](N[C@@H]1COCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451815384 533527966 /nfs/dbraw/zinc/52/79/66/533527966.db2.gz ZMYBXVMIIKNOKV-ZWNOBZJWSA-N 0 3 307.350 1.936 20 5 DDBDHN CCN1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000068127849 406618080 /nfs/dbraw/zinc/61/80/80/406618080.db2.gz PXQVEQBGPKIUSP-UHFFFAOYSA-N 0 3 306.366 1.561 20 5 DDBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C2 ZINC000073993006 406900054 /nfs/dbraw/zinc/90/00/54/406900054.db2.gz USSRZZIUZHQKMZ-GXTWGEPZSA-N 0 3 319.361 1.669 20 5 DDBDHN CCN1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000067595217 407277327 /nfs/dbraw/zinc/27/73/27/407277327.db2.gz LIWZXCZDIIFYRS-UHFFFAOYSA-N 0 3 320.393 1.271 20 5 DDBDHN CCN1CCN([C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000107368938 407373856 /nfs/dbraw/zinc/37/38/56/407373856.db2.gz ZPFPJMPCDLSGPX-QGZVFWFLSA-N 0 3 318.421 1.807 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000111321319 407407371 /nfs/dbraw/zinc/40/73/71/407407371.db2.gz HUAFIPJOXJLXGC-BNGAQMRFSA-N 0 3 322.361 1.322 20 5 DDBDHN NC(=O)N1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000111688649 407415218 /nfs/dbraw/zinc/41/52/18/407415218.db2.gz VUBHOAQRWKDUMT-UHFFFAOYSA-N 0 3 322.365 1.450 20 5 DDBDHN CN(C)[C@H](CNC(=O)Cn1nccc1[N+](=O)[O-])c1ccccc1 ZINC000178465838 407464066 /nfs/dbraw/zinc/46/40/66/407464066.db2.gz FIKPPDINAWUWIB-CYBMUJFWSA-N 0 3 317.349 1.210 20 5 DDBDHN C[C@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000170768231 407500025 /nfs/dbraw/zinc/50/00/25/407500025.db2.gz OWUCDDOSKZKTFU-JSGCOSHPSA-N 0 3 310.350 1.445 20 5 DDBDHN CC(C)N(CCN(C)C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000151967961 407538402 /nfs/dbraw/zinc/53/84/02/407538402.db2.gz OTQRHXBOUXIMCQ-UHFFFAOYSA-N 0 3 319.365 1.883 20 5 DDBDHN CN(CCc1cnccn1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271411915 407673414 /nfs/dbraw/zinc/67/34/14/407673414.db2.gz YZAFYWMULBOCTJ-HNNXBMFYSA-N 0 3 302.334 1.593 20 5 DDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000115433359 407679204 /nfs/dbraw/zinc/67/92/04/407679204.db2.gz SPZKTZXODZYNCI-CYBMUJFWSA-N 0 3 321.377 1.774 20 5 DDBDHN CC(C)C[C@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236664131 407742935 /nfs/dbraw/zinc/74/29/35/407742935.db2.gz JALXGABCCWMZRB-HNNXBMFYSA-N 0 3 320.393 1.617 20 5 DDBDHN O=C(NC[C@H]1NCCc2ccccc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000262575893 407870712 /nfs/dbraw/zinc/87/07/12/407870712.db2.gz YEPJTURCHKBAII-CYBMUJFWSA-N 0 3 300.318 1.540 20 5 DDBDHN C[C@H](NC[C@@H](O)COC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000180428593 407888567 /nfs/dbraw/zinc/88/85/67/407888567.db2.gz IXBLNTIZCAZINJ-MAZHCROVSA-N 0 3 324.377 1.802 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000268233465 407961346 /nfs/dbraw/zinc/96/13/46/407961346.db2.gz SPFXCJDDDMBGAL-SMDDNHRTSA-N 0 3 318.377 1.606 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000245419090 407969976 /nfs/dbraw/zinc/96/99/76/407969976.db2.gz GWEXASAPDQAIKV-DAXOMENPSA-N 0 3 316.361 1.845 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000268177649 407930572 /nfs/dbraw/zinc/93/05/72/407930572.db2.gz KWSHIZRJLPPIEF-ABAIWWIYSA-N 0 3 319.361 1.573 20 5 DDBDHN CN(CCOc1ccccc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000189786767 408107934 /nfs/dbraw/zinc/10/79/34/408107934.db2.gz RIQXNXKCGRRDPE-UHFFFAOYSA-N 0 3 310.350 1.447 20 5 DDBDHN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000273308897 408147071 /nfs/dbraw/zinc/14/70/71/408147071.db2.gz OPSKSRBUNHAMHT-SMDDNHRTSA-N 0 3 320.349 1.419 20 5 DDBDHN CCN1CCN(C[C@H](C)CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273587491 408257076 /nfs/dbraw/zinc/25/70/76/408257076.db2.gz GTGAEZVOYRTFHY-GFCCVEGCSA-N 0 3 308.386 1.070 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)n1 ZINC000246518874 408279787 /nfs/dbraw/zinc/27/97/87/408279787.db2.gz IPUKQCNMPHFQGS-ZFWWWQNUSA-N 0 3 319.409 1.740 20 5 DDBDHN O=[N+]([O-])c1cnn(CCNCC2=Cc3ccccc3OC2)c1 ZINC000151250965 408283961 /nfs/dbraw/zinc/28/39/61/408283961.db2.gz BPQWENDQRLWJLJ-UHFFFAOYSA-N 0 3 300.318 1.857 20 5 DDBDHN O=C(CNC[C@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000157470256 408303765 /nfs/dbraw/zinc/30/37/65/408303765.db2.gz DRMAMHISFUIERS-OAHLLOKOSA-N 0 3 319.361 1.248 20 5 DDBDHN COCCN(CCN(C)C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000264134063 408374582 /nfs/dbraw/zinc/37/45/82/408374582.db2.gz FIZJYCOWUMJDPH-UHFFFAOYSA-N 0 3 309.366 1.174 20 5 DDBDHN CC(C)N1CCC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000274472955 408420253 /nfs/dbraw/zinc/42/02/53/408420253.db2.gz LMBIUZJERMMEHH-CYBMUJFWSA-N 0 3 320.393 1.996 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000247210368 408430870 /nfs/dbraw/zinc/43/08/70/408430870.db2.gz CFWJLSFMUFSWES-CMPLNLGQSA-N 0 3 309.370 1.041 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000247534428 408490092 /nfs/dbraw/zinc/49/00/92/408490092.db2.gz XNRBTZVELILIHX-JQWIXIFHSA-N 0 3 306.366 1.853 20 5 DDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)N1CCC[C@@H](C)C1 ZINC000248438758 408566671 /nfs/dbraw/zinc/56/66/71/408566671.db2.gz TWUVZLYIPOEJHV-GHMZBOCLSA-N 0 3 321.381 1.422 20 5 DDBDHN CC1(C)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000275544145 408595380 /nfs/dbraw/zinc/59/53/80/408595380.db2.gz ZLRIYRBXYMLJQS-UKRRQHHQSA-N 0 3 324.377 1.427 20 5 DDBDHN CC1(C)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000275544134 408596638 /nfs/dbraw/zinc/59/66/38/408596638.db2.gz ZLRIYRBXYMLJQS-DZGCQCFKSA-N 0 3 324.377 1.427 20 5 DDBDHN CN(CCNC(=O)c1c([N+](=O)[O-])cnn1C)Cc1ccccc1 ZINC000163595912 408782562 /nfs/dbraw/zinc/78/25/62/408782562.db2.gz RMRCDAFBKKHYEU-UHFFFAOYSA-N 0 3 317.349 1.190 20 5 DDBDHN C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N1CCC(C)CC1 ZINC000164488466 408799451 /nfs/dbraw/zinc/79/94/51/408799451.db2.gz STYMYNDTRSGTIH-NSHDSACASA-N 0 3 309.370 1.179 20 5 DDBDHN CON(C)C(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000291811635 408926590 /nfs/dbraw/zinc/92/65/90/408926590.db2.gz NMBJAQIBWYMZHA-UHFFFAOYSA-N 0 3 321.377 1.869 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000277403683 408934192 /nfs/dbraw/zinc/93/41/92/408934192.db2.gz HGBSJXOSWCHGSQ-SNVBAGLBSA-N 0 3 307.350 1.816 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)N1CCN(CC)CC1 ZINC000192496765 163225875 /nfs/dbraw/zinc/22/58/75/163225875.db2.gz BDFQCTXDGYIFAO-GFCCVEGCSA-N 0 3 324.429 1.558 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCCCN1CCC(O)CC1 ZINC000278024738 409053338 /nfs/dbraw/zinc/05/33/38/409053338.db2.gz QLWUBMNPEMFTGE-UHFFFAOYSA-N 0 3 321.377 1.480 20 5 DDBDHN Cc1[nH]nc(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000293578273 409141889 /nfs/dbraw/zinc/14/18/89/409141889.db2.gz AYPICKHIBXWTIC-SNVBAGLBSA-N 0 3 321.381 1.573 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000293578273 409141891 /nfs/dbraw/zinc/14/18/91/409141891.db2.gz AYPICKHIBXWTIC-SNVBAGLBSA-N 0 3 321.381 1.573 20 5 DDBDHN C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCN(C2CCC2)C1 ZINC000293716415 409167540 /nfs/dbraw/zinc/16/75/40/409167540.db2.gz PBBIMZAVFRBVOD-GFCCVEGCSA-N 0 3 321.381 1.124 20 5 DDBDHN O=C1C[C@@]2(CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)CN1 ZINC000279364387 409199406 /nfs/dbraw/zinc/19/94/06/409199406.db2.gz HKOHEUFVBHZWMF-WMHVBEDNSA-N 0 3 301.346 1.820 20 5 DDBDHN CN(C)Cc1cccc(NC(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000347018577 164097265 /nfs/dbraw/zinc/09/72/65/164097265.db2.gz VJLBZYFERSDSNT-UHFFFAOYSA-N 0 3 303.322 1.642 20 5 DDBDHN C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](C)CN1C ZINC000408075848 164220039 /nfs/dbraw/zinc/22/00/39/164220039.db2.gz ZYLWWTSLUVZGDQ-ZJUUUORDSA-N 0 3 317.349 1.636 20 5 DDBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408103125 164228736 /nfs/dbraw/zinc/22/87/36/164228736.db2.gz KREGURGQMXYBNQ-QWRGUYRKSA-N 0 3 307.354 1.027 20 5 DDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H]1CN(C)CCN1C ZINC000344918383 409552323 /nfs/dbraw/zinc/55/23/23/409552323.db2.gz XOFRILVQWCBZRH-ZGUWOUCSSA-N 0 3 318.421 1.834 20 5 DDBDHN CC[C@@H](CNS(C)(=O)=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296658233 409629233 /nfs/dbraw/zinc/62/92/33/409629233.db2.gz ZNTCVBCUAYVASQ-PWSUYJOCSA-N 0 3 315.395 1.573 20 5 DDBDHN CC(C)N1C[C@@H](C)[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000342558959 409722737 /nfs/dbraw/zinc/72/27/37/409722737.db2.gz DSUYZFLCFPZAEQ-ZWNOBZJWSA-N 0 3 306.366 1.834 20 5 DDBDHN NC1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000338156037 409755236 /nfs/dbraw/zinc/75/52/36/409755236.db2.gz PBJVIYQXOKUMEX-UHFFFAOYSA-N 0 3 321.377 1.542 20 5 DDBDHN CCN1C[C@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000346185045 409848636 /nfs/dbraw/zinc/84/86/36/409848636.db2.gz GNBHNVMYNZQDTE-STQMWFEESA-N 0 3 308.382 1.171 20 5 DDBDHN CCNC(=O)[C@H](NCCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000339324067 410093632 /nfs/dbraw/zinc/09/36/32/410093632.db2.gz ZFMQLQHCALACQN-CQSZACIVSA-N 0 3 309.366 1.724 20 5 DDBDHN C[C@@H](CN1CCCCC1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000298464505 410241473 /nfs/dbraw/zinc/24/14/73/410241473.db2.gz MYVWVQBHOZLPJL-NSHDSACASA-N 0 3 306.366 1.980 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)[C@@H](O)C1 ZINC000351945777 410356513 /nfs/dbraw/zinc/35/65/13/410356513.db2.gz ULEJACICEDUGJC-MFKMUULPSA-N 0 3 323.349 1.245 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343464889 410475084 /nfs/dbraw/zinc/47/50/84/410475084.db2.gz YVUPJVFNUCZCRI-RYUDHWBXSA-N 0 3 307.350 1.573 20 5 DDBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[C@@H]1N1CCN(C)CC1 ZINC000343420815 410437960 /nfs/dbraw/zinc/43/79/60/410437960.db2.gz BHYBYJWZGVDKQS-ZFWWWQNUSA-N 0 3 319.409 1.452 20 5 DDBDHN CCN1CCN([C@@H](C)CNc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000301242994 410684801 /nfs/dbraw/zinc/68/48/01/410684801.db2.gz AFYOPLKIJIRICX-NSHDSACASA-N 0 3 310.402 1.075 20 5 DDBDHN CC1(C)[C@H](O)C[C@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000579975484 422868855 /nfs/dbraw/zinc/86/88/55/422868855.db2.gz UIMBLYCKSOVTDS-MGPQQGTHSA-N 0 3 319.361 1.449 20 5 DDBDHN CN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000134206876 196370710 /nfs/dbraw/zinc/37/07/10/196370710.db2.gz GXCNCERXRVEMDJ-UHFFFAOYSA-N 0 3 316.155 1.649 20 5 DDBDHN C[C@@H]1CN(CCO)[C@@H](C)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000419331829 226120557 /nfs/dbraw/zinc/12/05/57/226120557.db2.gz RXEGQPRARFJCJK-UONOGXRCSA-N 0 3 323.393 1.361 20 5 DDBDHN CN1CCC[C@@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C1 ZINC000360536603 418458564 /nfs/dbraw/zinc/45/85/64/418458564.db2.gz LDIRKRFIELDXBU-GFCCVEGCSA-N 0 3 322.365 1.040 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCC[C@@H]1CO ZINC000194361029 418543419 /nfs/dbraw/zinc/54/34/19/418543419.db2.gz BZMPORYJMHIJSV-CHWSQXEVSA-N 0 3 310.350 1.181 20 5 DDBDHN CO[C@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000361385457 418641199 /nfs/dbraw/zinc/64/11/99/418641199.db2.gz QCEJCVUXWNBXSE-LBPRGKRZSA-N 0 3 321.333 1.614 20 5 DDBDHN CN1CC[C@]2(CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)C1 ZINC000368299409 418716796 /nfs/dbraw/zinc/71/67/96/418716796.db2.gz OHZPRWDFONGXRI-AWEZNQCLSA-N 0 3 302.338 1.170 20 5 DDBDHN O=C(Nc1cnc2c(c1)CNCC2)c1csc([N+](=O)[O-])c1 ZINC000361696511 418699016 /nfs/dbraw/zinc/69/90/16/418699016.db2.gz QKTRBNZVNPPPAZ-UHFFFAOYSA-N 0 3 304.331 1.949 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N2CCCN(CC(C)(C)O)CC2)n1 ZINC000372590953 418886355 /nfs/dbraw/zinc/88/63/55/418886355.db2.gz DQFKOSHISCXFEY-UHFFFAOYSA-N 0 3 308.382 1.581 20 5 DDBDHN C[C@@H]1C[C@H](O)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000412042131 419581080 /nfs/dbraw/zinc/58/10/80/419581080.db2.gz TWVVAQHRBWQYIP-FRRDWIJNSA-N 0 3 310.350 1.037 20 5 DDBDHN C[C@@H]1COCC[C@@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000432235691 229089290 /nfs/dbraw/zinc/08/92/90/229089290.db2.gz LIQYHSSRJQIUKT-UGFHNGPFSA-N 0 3 319.361 1.715 20 5 DDBDHN COc1cccc(C(=O)NCC2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000444336937 230084716 /nfs/dbraw/zinc/08/47/16/230084716.db2.gz BVLPIAXKFXUVAP-UHFFFAOYSA-N 0 3 305.334 1.595 20 5 DDBDHN NC(=O)c1cccc(NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000439097215 420479764 /nfs/dbraw/zinc/47/97/64/420479764.db2.gz HEIPKQINYNDRIU-UHFFFAOYSA-N 0 3 306.366 1.982 20 5 DDBDHN NC(=O)c1ccc(CNC2(CCO)CCCCC2)c([N+](=O)[O-])c1 ZINC000440890350 420617028 /nfs/dbraw/zinc/61/70/28/420617028.db2.gz SOWCPPMTRAVANH-UHFFFAOYSA-N 0 3 321.377 1.869 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@]2(CCSC2)C1 ZINC000451986026 420618983 /nfs/dbraw/zinc/61/89/83/420618983.db2.gz XDPNTZHYTRKKNM-OAHLLOKOSA-N 0 3 323.418 1.976 20 5 DDBDHN CCN(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000443198227 420748125 /nfs/dbraw/zinc/74/81/25/420748125.db2.gz MZWHPYGZRKIPFT-UHFFFAOYSA-N 0 3 315.395 1.603 20 5 DDBDHN C[C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N(C)C ZINC000458707297 420718710 /nfs/dbraw/zinc/71/87/10/420718710.db2.gz PNEVWZMYSQWIIE-VIFPVBQESA-N 0 3 320.353 1.220 20 5 DDBDHN CC[N@@H+]1CCC[C@H]1C[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000450220265 421164925 /nfs/dbraw/zinc/16/49/25/421164925.db2.gz YJYXSWQUYYJMEJ-ZDUSSCGKSA-N 0 3 317.349 2.541 20 5 DDBDHN CC[N@H+]1CCC[C@H]1C[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000450220265 421164928 /nfs/dbraw/zinc/16/49/28/421164928.db2.gz YJYXSWQUYYJMEJ-ZDUSSCGKSA-N 0 3 317.349 2.541 20 5 DDBDHN C[C@@H]1CCN(CCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000524719957 421266020 /nfs/dbraw/zinc/26/60/20/421266020.db2.gz RQFZKPPPLZPECW-GFCCVEGCSA-N 0 3 306.366 1.465 20 5 DDBDHN C[C@H]1CCN(CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000524775234 421271178 /nfs/dbraw/zinc/27/11/78/421271178.db2.gz AVQPTVZHVZSXRG-JTQLQIEISA-N 0 3 317.349 1.543 20 5 DDBDHN CC(COC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2)[N+](=O)[O-] ZINC000496558820 421274620 /nfs/dbraw/zinc/27/46/20/421274620.db2.gz LFGFYZNIHMESQD-NXEZZACHSA-N 0 3 314.338 1.452 20 5 DDBDHN Cc1c(C(=O)NC[C@@]2(O)CN3CCC2CC3)cccc1[N+](=O)[O-] ZINC000552210600 421581079 /nfs/dbraw/zinc/58/10/79/421581079.db2.gz MEDSOFLSQPGGKS-MRXNPFEDSA-N 0 3 319.361 1.090 20 5 DDBDHN CNc1nccc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000566467335 421606137 /nfs/dbraw/zinc/60/61/37/421606137.db2.gz VVEUIIFKMWEJEA-NSHDSACASA-N 0 3 321.381 1.586 20 5 DDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)N1CCCC[C@H]1C ZINC000518219675 421645252 /nfs/dbraw/zinc/64/52/52/421645252.db2.gz KWOKYFZKZOMHLP-VXGBXAGGSA-N 0 3 308.382 1.926 20 5 DDBDHN Nc1nccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000571940970 421755450 /nfs/dbraw/zinc/75/54/50/421755450.db2.gz VOQJBEVFKMORET-LLVKDONJSA-N 0 3 319.365 1.272 20 5 DDBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CCN(C2CC2)C1 ZINC000581232822 421927520 /nfs/dbraw/zinc/92/75/20/421927520.db2.gz RTOWWDVZVMSBLY-NSHDSACASA-N 0 3 306.366 1.490 20 5 DDBDHN Nc1nccc(C(=O)NC2CC(N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000584664620 422300850 /nfs/dbraw/zinc/30/08/50/422300850.db2.gz LDHVRFDRJADFSB-UHFFFAOYSA-N 0 3 319.365 1.319 20 5 DDBDHN Nc1nccc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594418494 422347480 /nfs/dbraw/zinc/34/74/80/422347480.db2.gz JMOKFPHYETVWSR-VXGBXAGGSA-N 0 3 319.365 1.319 20 5 DDBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)c2cccnc2)c(F)c1 ZINC000342276617 271364181 /nfs/dbraw/zinc/36/41/81/271364181.db2.gz KKVIITMPLUAKBC-CYBMUJFWSA-N 0 3 305.309 1.995 20 5 DDBDHN CCCN(CCN(C)C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000344867538 272131835 /nfs/dbraw/zinc/13/18/35/272131835.db2.gz SCHOMRSQZRDDLC-UHFFFAOYSA-N 0 3 309.366 1.774 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCCN([C@@H](C)CO)CC2)n1 ZINC000345044331 272162682 /nfs/dbraw/zinc/16/26/82/272162682.db2.gz OIGMNGLTSBWUDT-ZDUSSCGKSA-N 0 3 308.382 1.500 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)N3C)n1 ZINC000281079589 274004608 /nfs/dbraw/zinc/00/46/08/274004608.db2.gz BPZAMPZUYZIBOP-MNOVXSKESA-N 0 3 320.349 1.449 20 5 DDBDHN COC(=O)[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H]1C(C)C ZINC000429391283 277394638 /nfs/dbraw/zinc/39/46/38/277394638.db2.gz CGTZQISRJOMJNO-AAEUAGOBSA-N 0 3 310.354 1.311 20 5 DDBDHN C[C@@H](NCCCN1C(=O)CNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000173402433 298255243 /nfs/dbraw/zinc/25/52/43/298255243.db2.gz UXIFSOZSINBNPL-SNVBAGLBSA-N 0 3 306.322 1.187 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN(CCO)CC1CCCCC1 ZINC000362578740 300101263 /nfs/dbraw/zinc/10/12/63/300101263.db2.gz GBGHYCIIQYPOOH-UHFFFAOYSA-N 0 3 323.393 1.631 20 5 DDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)Nc1cccc([N+](=O)[O-])c1 ZINC000363094693 300209592 /nfs/dbraw/zinc/20/95/92/300209592.db2.gz HJUNASPVYGGADS-KBPBESRZSA-N 0 3 320.349 1.580 20 5 DDBDHN CC(C)NC(=O)CCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364322583 300376080 /nfs/dbraw/zinc/37/60/80/300376080.db2.gz GRIWGSLDIYEUDT-GFCCVEGCSA-N 0 3 309.370 1.343 20 5 DDBDHN CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000364350383 300381875 /nfs/dbraw/zinc/38/18/75/300381875.db2.gz XTEZEFSDJIXDSR-GJZGRUSLSA-N 0 3 321.381 1.267 20 5 DDBDHN CCC[C@H](C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N(C)C ZINC000364366911 300384842 /nfs/dbraw/zinc/38/48/42/300384842.db2.gz AESNPONYBJLGTP-TZMCWYRMSA-N 0 3 323.397 1.685 20 5 DDBDHN CC[C@@H](C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N(C)C ZINC000368411469 301021842 /nfs/dbraw/zinc/02/18/42/301021842.db2.gz IAEKNOBUSRWOBN-YPMHNXCESA-N 0 3 309.370 1.295 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000368595222 301061104 /nfs/dbraw/zinc/06/11/04/301061104.db2.gz SIERBSLNASWEIP-QWHCGFSZSA-N 0 3 321.381 1.042 20 5 DDBDHN COc1cc(N2CCN([C@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000375901679 302013187 /nfs/dbraw/zinc/01/31/87/302013187.db2.gz CRIOCWMJSJGTAX-DZGCQCFKSA-N 0 3 321.377 1.639 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1C[NH2+]CC[C@@H]1C ZINC000193403638 302050211 /nfs/dbraw/zinc/05/02/11/302050211.db2.gz DXANEFXUYJDBAD-ONGXEEELSA-N 0 3 313.379 1.180 20 5 DDBDHN CO[C@@H]1C[C@@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000451497520 302399879 /nfs/dbraw/zinc/39/98/79/302399879.db2.gz MTFPVWVGBVVIKQ-ZIAGYGMSSA-N 0 3 321.377 1.961 20 5 DDBDHN CN(C)CCN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000531512087 303247995 /nfs/dbraw/zinc/24/79/95/303247995.db2.gz NFBCOXBDDAAFHA-UHFFFAOYSA-N 0 3 320.349 1.730 20 5 DDBDHN N[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1c1ccc(F)cc1 ZINC000364164731 307042502 /nfs/dbraw/zinc/04/25/02/307042502.db2.gz BSTTUAHIMLLDOI-VXGBXAGGSA-N 0 3 319.292 1.894 20 5 DDBDHN Cc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c(CN(C)C)c1 ZINC000548741478 307790843 /nfs/dbraw/zinc/79/08/43/307790843.db2.gz KKHHYKYMTKAVQB-UHFFFAOYSA-N 0 3 303.322 1.940 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCc2ccccc2[C@@H]1CN ZINC000565421934 308030741 /nfs/dbraw/zinc/03/07/41/308030741.db2.gz IWJBCCOFKURXOW-ZDUSSCGKSA-N 0 3 301.350 1.386 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000382482719 325745892 /nfs/dbraw/zinc/74/58/92/325745892.db2.gz XOMGIOGIROLBDC-GHMZBOCLSA-N 0 3 313.379 1.309 20 5 DDBDHN Cc1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])ccc1CN(C)C ZINC000582951051 337221514 /nfs/dbraw/zinc/22/15/14/337221514.db2.gz VGIAIJNPJUVEGW-UHFFFAOYSA-N 0 3 303.322 1.940 20 5 DDBDHN Cc1cc(NC(=O)c2c[n-]nc2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000582951051 337221515 /nfs/dbraw/zinc/22/15/15/337221515.db2.gz VGIAIJNPJUVEGW-UHFFFAOYSA-N 0 3 303.322 1.940 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000374528168 483939175 /nfs/dbraw/zinc/93/91/75/483939175.db2.gz ATYTZKUHILKRFL-GFCCVEGCSA-N 0 3 317.349 1.971 20 5 DDBDHN C[C@]1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC000230736251 484170276 /nfs/dbraw/zinc/17/02/76/484170276.db2.gz MLXULYRCOYFKHD-NSHDSACASA-N 0 3 319.770 1.279 20 5 DDBDHN CC(C)c1ccc([C@H](N)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000422798390 528144358 /nfs/dbraw/zinc/14/43/58/528144358.db2.gz QXBIFSDJYYNWKX-GFCCVEGCSA-N 0 3 317.349 1.871 20 5 DDBDHN CC1(C)COC[C@@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451809694 529134058 /nfs/dbraw/zinc/13/40/58/529134058.db2.gz JUIZLHZEFJLJPN-KGLIPLIRSA-N 0 3 319.361 1.715 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(C)(C)CN1CCOCC1 ZINC000308647380 536955713 /nfs/dbraw/zinc/95/57/13/536955713.db2.gz KSFPYVRPNGOENY-UHFFFAOYSA-N 0 3 323.393 1.804 20 5 DDBDHN C[NH+](C)[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC000736758374 598386438 /nfs/dbraw/zinc/38/64/38/598386438.db2.gz GRCFSBUEXFDKRF-ZDUSSCGKSA-N 0 3 317.353 1.527 20 5 DDBDHN C[NH+](C)[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC000736758374 598386440 /nfs/dbraw/zinc/38/64/40/598386440.db2.gz GRCFSBUEXFDKRF-ZDUSSCGKSA-N 0 3 317.353 1.527 20 5 DDBDHN CC(COC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)[N+](=O)[O-] ZINC000797278277 700002765 /nfs/dbraw/zinc/00/27/65/700002765.db2.gz DUWQGXPIEKZCAF-UKKRHICBSA-N 0 3 314.338 1.308 20 5 DDBDHN Cc1nn(CN2CCN(C3CCOCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000747471504 700072119 /nfs/dbraw/zinc/07/21/19/700072119.db2.gz NZEADCMNFXWJFY-UHFFFAOYSA-N 0 3 323.397 1.162 20 5 DDBDHN NC(=O)C[C@@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750053817 700201430 /nfs/dbraw/zinc/20/14/30/700201430.db2.gz UPLYFANXJRGWGU-JSGCOSHPSA-N 0 3 307.350 1.358 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000742058395 699858872 /nfs/dbraw/zinc/85/88/72/699858872.db2.gz BDMDYHXZBOONGU-CHWSQXEVSA-N 0 3 319.361 1.496 20 5 DDBDHN COc1ccc(CNC[C@H](O)c2cccnc2)cc1[N+](=O)[O-] ZINC000771979402 701339135 /nfs/dbraw/zinc/33/91/35/701339135.db2.gz OBPBQFGRFUNCRW-AWEZNQCLSA-N 0 3 303.318 1.822 20 5 DDBDHN Cc1ccccc1[C@H](CC(=O)OCC(C)[N+](=O)[O-])NC(N)=O ZINC000813109818 702295918 /nfs/dbraw/zinc/29/59/18/702295918.db2.gz PLZNUOOIDWJRQN-JQWIXIFHSA-N 0 3 309.322 1.303 20 5 DDBDHN Cc1cc(F)cc(-n2cc(C(=O)OCC(C)[N+](=O)[O-])nn2)c1 ZINC000813111228 702297251 /nfs/dbraw/zinc/29/72/51/702297251.db2.gz DIHKNSVKSJHNJC-SECBINFHSA-N 0 3 308.269 1.537 20 5 DDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](O)CO ZINC000817417829 702376432 /nfs/dbraw/zinc/37/64/32/702376432.db2.gz RQANTAJKHDDSQN-LLVKDONJSA-N 0 3 302.758 1.812 20 5 DDBDHN CC[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000843090519 702816833 /nfs/dbraw/zinc/81/68/33/702816833.db2.gz YIIPTUIKWHBWPV-QJPTWQEYSA-N 0 3 322.283 1.920 20 5 DDBDHN O=C1O[C@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000848679181 703574895 /nfs/dbraw/zinc/57/48/95/703574895.db2.gz RQCCGPHNZPBXML-KGLIPLIRSA-N 0 3 321.333 1.201 20 5 DDBDHN CC(COC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CC1)[N+](=O)[O-] ZINC000851036985 703774932 /nfs/dbraw/zinc/77/49/32/703774932.db2.gz PAWXMGMBOIWLPJ-QMMMGPOBSA-N 0 3 305.290 1.899 20 5 DDBDHN CC(C)N1C[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000818996457 704047552 /nfs/dbraw/zinc/04/75/52/704047552.db2.gz QWKMTIONNIDEKF-OCCSQVGLSA-N 0 3 307.350 1.227 20 5 DDBDHN CCS(=O)(=O)CCNCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000819212216 704087544 /nfs/dbraw/zinc/08/75/44/704087544.db2.gz KGOBKJLKVFQYJX-UHFFFAOYSA-N 0 3 320.798 1.815 20 5 DDBDHN CCO[C@@H]1C[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1OC ZINC000819226941 704090392 /nfs/dbraw/zinc/09/03/92/704090392.db2.gz MANXAJQGPYJHHC-XQLPTFJDSA-N 0 3 310.350 1.410 20 5 DDBDHN CCO[C@@H]1C[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000819228697 704090708 /nfs/dbraw/zinc/09/07/08/704090708.db2.gz XCNWSGCHXKYCAT-GBJTYRQASA-N 0 3 310.350 1.410 20 5 DDBDHN C/C(=C\C(=O)N[C@@H](CO)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000854464399 704401790 /nfs/dbraw/zinc/40/17/90/704401790.db2.gz KCWPVELHLYUVIX-RUNBWSAHSA-N 0 3 307.350 1.037 20 5 DDBDHN CCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000855360250 704480587 /nfs/dbraw/zinc/48/05/87/704480587.db2.gz DFCZGCNYHHGSFU-KBPBESRZSA-N 0 3 307.350 1.181 20 5 DDBDHN CC(COC(=O)c1cc(Br)c[nH]c1=O)[N+](=O)[O-] ZINC000857030093 704548170 /nfs/dbraw/zinc/54/81/70/704548170.db2.gz TVGICNMDLRCQLZ-RXMQYKEDSA-N 0 3 305.084 1.372 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(c3ccnc(CO)c3)CC2)cc1 ZINC000858311099 704693365 /nfs/dbraw/zinc/69/33/65/704693365.db2.gz BESVTNZRGWXQAQ-UHFFFAOYSA-N 0 3 314.345 1.809 20 5 DDBDHN COc1ccc(CN(C)[C@@H]2CCOC[C@H]2OC)cc1[N+](=O)[O-] ZINC000880425585 706970411 /nfs/dbraw/zinc/97/04/11/706970411.db2.gz GHAWSLYHBHVUPG-IUODEOHRSA-N 0 3 310.350 1.839 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC=C[C@@H]1CO ZINC000880490414 706992681 /nfs/dbraw/zinc/99/26/81/706992681.db2.gz QLSRBPKTHHPUAS-CYBMUJFWSA-N 0 3 305.334 1.465 20 5 DDBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCOCCO ZINC000872018804 707281512 /nfs/dbraw/zinc/28/15/12/707281512.db2.gz PTHUXYHCQKFGAG-JTQLQIEISA-N 0 3 300.380 1.976 20 5 DDBDHN Cc1nc(N2CC[C@H]3[C@@H]2CCCN3CCO)ccc1[N+](=O)[O-] ZINC000897221119 708258724 /nfs/dbraw/zinc/25/87/24/708258724.db2.gz HLOXKMMTJRIJSF-KBPBESRZSA-N 0 3 306.366 1.334 20 5 DDBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCC2)C1 ZINC000912928340 713127089 /nfs/dbraw/zinc/12/70/89/713127089.db2.gz IIFBIAIOLSQEMJ-SZTZYQKNSA-N 0 3 301.346 1.915 20 5 DDBDHN COc1cnccc1N1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000893634394 710757148 /nfs/dbraw/zinc/75/71/48/710757148.db2.gz AZJFDNVSBFDMKK-UHFFFAOYSA-N 0 3 318.337 1.059 20 5 DDBDHN CN(CCO)CCN(C)c1ncc([N+](=O)[O-])c2ccccc21 ZINC000894590499 711198438 /nfs/dbraw/zinc/19/84/38/711198438.db2.gz CQGRFECCARESIB-UHFFFAOYSA-N 0 3 304.350 1.503 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c1C ZINC000908347226 712748118 /nfs/dbraw/zinc/74/81/18/712748118.db2.gz KRPHHXCWHVBQRK-JSGCOSHPSA-N 0 3 303.362 1.988 20 5 DDBDHN C[C@H]1COC[C@@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000932493551 714345693 /nfs/dbraw/zinc/34/56/93/714345693.db2.gz HUTLBEAXRAVMAU-KWQFWETISA-N 0 3 313.741 1.811 20 5 DDBDHN Cc1cc(CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)sn1 ZINC001002789620 743419380 /nfs/dbraw/zinc/41/93/80/743419380.db2.gz WGWLMRJPQIVTRJ-CHWSQXEVSA-N 0 3 324.406 1.197 20 5 DDBDHN O=C(CCOCC1CC1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001127072735 743703300 /nfs/dbraw/zinc/70/33/00/743703300.db2.gz NHKFRFXLWYBNOQ-UHFFFAOYSA-N 0 3 321.377 1.617 20 5 DDBDHN O=C(NCC1CN(C/C=C/c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031661985 747336713 /nfs/dbraw/zinc/33/67/13/747336713.db2.gz QAWCPBKQZNXLEM-KEMBLGFASA-N 0 3 315.373 1.413 20 5 DDBDHN CCOCCCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001123992580 747348884 /nfs/dbraw/zinc/34/88/84/747348884.db2.gz RCLJCRGDNXQMIA-UHFFFAOYSA-N 0 3 309.366 1.617 20 5 DDBDHN COc1cc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)c([N+](=O)[O-])cc1[O-] ZINC001200691772 748321432 /nfs/dbraw/zinc/32/14/32/748321432.db2.gz HEWPVZFYRDEGRN-ZYHUDNBSSA-N 0 3 310.350 1.950 20 5 DDBDHN COc1cccnc1N1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169040190 762195022 /nfs/dbraw/zinc/19/50/22/762195022.db2.gz YPIAALPEGWSNQR-KBPBESRZSA-N 0 3 320.393 1.658 20 5 DDBDHN C[C@H](N)c1ccn(-c2cc([N+](=O)[O-])cc(Br)n2)n1 ZINC001169231942 762293210 /nfs/dbraw/zinc/29/32/10/762293210.db2.gz WXQRMTYDIGLZKU-LURJTMIESA-N 0 3 312.127 1.958 20 5 DDBDHN C[C@H](Nc1cc2cccnc2c([N+](=O)[O-])c1)[C@@H]1CNCCO1 ZINC001170567282 768176034 /nfs/dbraw/zinc/17/60/34/768176034.db2.gz CQKWVISSWFGZTE-HZMBPMFUSA-N 0 3 302.334 1.932 20 5 DDBDHN CCOC(=O)C1=C(Nc2cccc(OC)c2[N+](=O)[O-])CCNC1 ZINC001170517211 767754100 /nfs/dbraw/zinc/75/41/00/767754100.db2.gz LQSHTNCVUWYHCF-UHFFFAOYSA-N 0 3 321.333 1.826 20 5 DDBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001136189442 771913672 /nfs/dbraw/zinc/91/36/72/771913672.db2.gz SJWQBAIJNIAINF-JTQLQIEISA-N 0 3 307.354 1.176 20 5 DDBDHN Cc1cc(NCCNC(=O)CN(C)C(C)C)ncc1[N+](=O)[O-] ZINC001093674053 774989028 /nfs/dbraw/zinc/98/90/28/774989028.db2.gz LWFSVPRRILUITB-UHFFFAOYSA-N 0 3 309.370 1.167 20 5 DDBDHN Cc1nc(N(C)CCNC(=O)CN(C)C(C)C)ccc1[N+](=O)[O-] ZINC001100149803 775735178 /nfs/dbraw/zinc/73/51/78/775735178.db2.gz QPXAVAIAUDGFNE-UHFFFAOYSA-N 0 3 323.397 1.191 20 5 DDBDHN CC[C@@H](N)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001119317321 781403256 /nfs/dbraw/zinc/40/32/56/781403256.db2.gz XIQHNOQDYDRBHB-SECBINFHSA-N 0 3 316.155 1.711 20 5 DDBDHN NCc1cn(-c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])cn1 ZINC001154907173 861560020 /nfs/dbraw/zinc/56/00/20/861560020.db2.gz WQWOCXSLMMZFKO-UHFFFAOYSA-N 0 3 304.697 1.836 20 5 DDBDHN O=C(NCc1ccc2c[nH+]cn2c1)c1[n-]nc([N+](=O)[O-])c1Cl ZINC001141947651 860978547 /nfs/dbraw/zinc/97/85/47/860978547.db2.gz DXAWATZCHYBZSG-UHFFFAOYSA-N 0 3 320.696 1.549 20 5 DDBDHN NCc1ccc2c(n1)N(c1cc(N)c([N+](=O)[O-])cn1)CCC2 ZINC001158652602 864788435 /nfs/dbraw/zinc/78/84/35/864788435.db2.gz RIHJOUULSQJOIY-UHFFFAOYSA-N 0 3 300.322 1.510 20 5 DDBDHN COc1nc(N[C@]2(C)CCCN(C)C2)nc(OC)c1[N+](=O)[O-] ZINC001162341389 867473860 /nfs/dbraw/zinc/47/38/60/867473860.db2.gz MARDQGXSGPMDQR-CYBMUJFWSA-N 0 3 311.342 1.298 20 5 DDBDHN CN(C)C1CN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)C1 ZINC001163942710 868814591 /nfs/dbraw/zinc/81/45/91/868814591.db2.gz LPPDQRRUINWVFQ-UHFFFAOYSA-N 0 3 307.741 1.942 20 5 DDBDHN COC(=O)c1cc(C)nc(-n2nc(CN)cc2C)c1[N+](=O)[O-] ZINC001163981194 868843737 /nfs/dbraw/zinc/84/37/37/868843737.db2.gz GAHCQFUXKVVSCM-UHFFFAOYSA-N 0 3 305.294 1.038 20 5 DDBDHN Cc1cc(CNCC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)no1 ZINC001164490574 869229657 /nfs/dbraw/zinc/22/96/57/869229657.db2.gz MWSNHZYMDGUHBO-CHWSQXEVSA-N 0 3 322.365 1.024 20 5 DDBDHN CC[C@@H](C)N1CCN(c2nnc(CCC[N+](=O)[O-])n2CC)CC1 ZINC001339232813 870412896 /nfs/dbraw/zinc/41/28/96/870412896.db2.gz GKWIAVDEQAMMMG-CYBMUJFWSA-N 0 3 324.429 1.428 20 5 DDBDHN CSc1ccc(C(=O)N[C@@H]2COC3(CNC3)C2)cc1[N+](=O)[O-] ZINC001340616511 871236799 /nfs/dbraw/zinc/23/67/99/871236799.db2.gz SUZJWUTYMWCOKV-JTQLQIEISA-N 0 3 323.374 1.177 20 5 DDBDHN COC(=O)C(C)(C)CNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001308645601 871517510 /nfs/dbraw/zinc/51/75/10/871517510.db2.gz MXFKZVDKPMKOJH-UHFFFAOYSA-N 0 3 312.322 1.598 20 5 DDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CN2CCC1CC2 ZINC001347226742 874064809 /nfs/dbraw/zinc/06/48/09/874064809.db2.gz GWUCUVWFIPNNMV-AWEZNQCLSA-N 0 3 318.377 1.607 20 5 DDBDHN Cc1ccc(Br)c(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC001348534337 874620165 /nfs/dbraw/zinc/62/01/65/874620165.db2.gz UZAFIEFUKHZGPP-SSDOTTSWSA-N 0 3 303.112 1.975 20 5 DDBDHN C[C@@]1(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CN2CCC1CC2 ZINC001300609680 877975306 /nfs/dbraw/zinc/97/53/06/877975306.db2.gz HINWZPUMAWVYJB-OAHLLOKOSA-N 0 3 304.350 1.391 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H](O)[C@](C)(CO)C1 ZINC001254553819 896499336 /nfs/dbraw/zinc/49/93/36/896499336.db2.gz ZQALIKTUIKTVQP-KCXAZCMYSA-N 0 3 308.378 1.591 20 5 DDBDHN O=C(CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)NCc1ccco1 ZINC001254578190 896510852 /nfs/dbraw/zinc/51/08/52/896510852.db2.gz KFJHWVGQFJBQGM-CYBMUJFWSA-N 0 3 315.329 1.561 20 5 DDBDHN C[C@](O)(CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC001262572129 900253829 /nfs/dbraw/zinc/25/38/29/900253829.db2.gz LTQRAQAPMNVSKU-MNOVXSKESA-N 0 3 308.256 1.531 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCN1C ZINC000319016653 231179056 /nfs/dbraw/zinc/17/90/56/231179056.db2.gz CPKLVXMJPCGWLS-WCBMZHEXSA-N 0 3 310.329 1.529 20 5 DDBDHN CN(c1ncc(Cl)cc1[N+](=O)[O-])C1CCN(CCO)CC1 ZINC000434950459 530038513 /nfs/dbraw/zinc/03/85/13/530038513.db2.gz JVTGCMABNUCGNB-UHFFFAOYSA-N 0 3 314.773 1.536 20 5 DDBDHN CN1C(=O)CC[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1=O ZINC000424203317 530042441 /nfs/dbraw/zinc/04/24/41/530042441.db2.gz KBUCXEYXRCEWOA-RNZFLTOJSA-N 0 3 303.318 1.345 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](O)C(C)(C)C1 ZINC000279790386 215148440 /nfs/dbraw/zinc/14/84/40/215148440.db2.gz OGTRKTFUTSUYRQ-AWEZNQCLSA-N 0 3 321.377 1.935 20 5 DDBDHN CN(C)CCN(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000080400980 192154800 /nfs/dbraw/zinc/15/48/00/192154800.db2.gz ZJONWBUPUAIGKZ-UHFFFAOYSA-N 0 3 317.349 1.414 20 5 DDBDHN CN(C)CCN(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000080394824 192154943 /nfs/dbraw/zinc/15/49/43/192154943.db2.gz KAWRURXKJUDUMT-UHFFFAOYSA-N 0 3 317.349 1.414 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(CO)CC2)c1 ZINC000046090529 352436637 /nfs/dbraw/zinc/43/66/37/352436637.db2.gz CFVLOGNVQCFNCJ-CQSZACIVSA-N 0 3 310.350 1.039 20 5 DDBDHN CN1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000061031628 352883801 /nfs/dbraw/zinc/88/38/01/352883801.db2.gz JQIIFPXLHLARRC-UHFFFAOYSA-N 0 3 321.333 1.190 20 5 DDBDHN Cc1cc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000064334022 352933806 /nfs/dbraw/zinc/93/38/06/352933806.db2.gz CFPNLPUTFBOTBO-UONOGXRCSA-N 0 3 319.361 1.496 20 5 DDBDHN COCCCN(CCOC)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065535869 352954412 /nfs/dbraw/zinc/95/44/12/352954412.db2.gz XYJXKOPEKMZPTP-UHFFFAOYSA-N 0 3 312.366 1.959 20 5 DDBDHN COCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000069502707 353164026 /nfs/dbraw/zinc/16/40/26/353164026.db2.gz XIQBPKSNGCSNLQ-AWEZNQCLSA-N 0 3 321.377 1.744 20 5 DDBDHN CN(C)CCN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000088229668 353753250 /nfs/dbraw/zinc/75/32/50/353753250.db2.gz SLPUNIJWSFPDJO-UHFFFAOYSA-N 0 3 306.322 1.720 20 5 DDBDHN CC(C)CN1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000586980784 354878319 /nfs/dbraw/zinc/87/83/19/354878319.db2.gz KWOYLEQURCWZTE-UHFFFAOYSA-N 0 3 308.382 1.447 20 5 DDBDHN Cc1c(CC(=O)N2CC[C@@H]3CN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590046695 355043397 /nfs/dbraw/zinc/04/33/97/355043397.db2.gz MMNCGAYGBVSGDE-UKRRQHHQSA-N 0 3 303.362 1.608 20 5 DDBDHN CNc1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590441567 355095479 /nfs/dbraw/zinc/09/54/79/355095479.db2.gz DAKPKNWYHNDAFA-BXUZGUMPSA-N 0 3 304.350 1.413 20 5 DDBDHN CNc1c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590443455 355097493 /nfs/dbraw/zinc/09/74/93/355097493.db2.gz KKVUJZJVTKDJAD-GWCFXTLKSA-N 0 3 304.350 1.413 20 5 DDBDHN C[C@H](CCO)CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590654645 355138986 /nfs/dbraw/zinc/13/89/86/355138986.db2.gz ZKWWWGFWIVLJPB-NSHDSACASA-N 0 3 310.350 1.864 20 5 DDBDHN CCN1CCN([C@@H](C)CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591139830 355254238 /nfs/dbraw/zinc/25/42/38/355254238.db2.gz OXQQJEQMOKYPEI-NSHDSACASA-N 0 3 311.361 1.567 20 5 DDBDHN CCn1cc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000591766643 355381009 /nfs/dbraw/zinc/38/10/09/355381009.db2.gz RBHCUWKKAOWFTF-CQSZACIVSA-N 0 3 320.349 1.341 20 5 DDBDHN CN1CCC2(CC1)CN(C(=O)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000592899412 355734723 /nfs/dbraw/zinc/73/47/23/355734723.db2.gz QTYCPMWJAVIDCX-UHFFFAOYSA-N 0 3 319.361 1.532 20 5 DDBDHN CN1CC[C@@]2(CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000593161975 355815000 /nfs/dbraw/zinc/81/50/00/355815000.db2.gz FUUCGSMJOISTBE-MRXNPFEDSA-N 0 3 321.352 1.831 20 5 DDBDHN CN(C)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593448259 355887981 /nfs/dbraw/zinc/88/79/81/355887981.db2.gz LZUCCSOOGOIKPL-ZDUSSCGKSA-N 0 3 309.341 1.829 20 5 DDBDHN CCN(CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000593450254 355888725 /nfs/dbraw/zinc/88/87/25/355888725.db2.gz JLONAKFRJWLQFE-UHFFFAOYSA-N 0 3 309.341 1.877 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000593485964 355900455 /nfs/dbraw/zinc/90/04/55/355900455.db2.gz DRZSJBMUUCYXHG-GWCFXTLKSA-N 0 3 309.341 1.875 20 5 DDBDHN CN(C)C1(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000593640790 355951318 /nfs/dbraw/zinc/95/13/18/355951318.db2.gz PTVCCLZYRLDTLA-UHFFFAOYSA-N 0 3 309.341 1.877 20 5 DDBDHN Cn1cc(CN[C@H](CO)CCF)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593688387 355967369 /nfs/dbraw/zinc/96/73/69/355967369.db2.gz HTGWWHCAUVZEMV-ZDUSSCGKSA-N 0 3 322.340 1.805 20 5 DDBDHN CCOCCOC[C@@H](O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594498961 356238712 /nfs/dbraw/zinc/23/87/12/356238712.db2.gz DTJZAGIXBZQDJM-WFASDCNBSA-N 0 3 324.377 1.586 20 5 DDBDHN Cc1c([C@@H](C)NC[C@@]2(OCCO)CCOC2)cccc1[N+](=O)[O-] ZINC000595077623 356378848 /nfs/dbraw/zinc/37/88/48/356378848.db2.gz KNHASIAKATZHRR-CJNGLKHVSA-N 0 3 324.377 1.722 20 5 DDBDHN CC[C@@H](C)[C@H](N)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000236973125 202102606 /nfs/dbraw/zinc/10/26/06/202102606.db2.gz XGSGRKYYWWGZMT-PELKAZGASA-N 0 3 309.322 1.693 20 5 DDBDHN C[C@H](N[C@H]1C[C@H](O)C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595779210 356649156 /nfs/dbraw/zinc/64/91/56/356649156.db2.gz APXJTVPARBEPQN-BPNCWPANSA-N 0 3 319.361 1.815 20 5 DDBDHN O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000595967135 356727787 /nfs/dbraw/zinc/72/77/87/356727787.db2.gz XMEGTTKSCJNZFH-AWEZNQCLSA-N 0 3 316.317 1.836 20 5 DDBDHN COc1cc(CN2CC[C@@H](F)[C@H](N)C2)c([N+](=O)[O-])cc1OC ZINC000596105239 356773830 /nfs/dbraw/zinc/77/38/30/356773830.db2.gz IBUCTCPNEKWEPP-GHMZBOCLSA-N 0 3 313.329 1.483 20 5 DDBDHN Nc1ccc(N2CCN(CC3CCOCC3)CC2)nc1[N+](=O)[O-] ZINC000596129323 356784240 /nfs/dbraw/zinc/78/42/40/356784240.db2.gz GORNSVWRXCZPTC-UHFFFAOYSA-N 0 3 321.381 1.121 20 5 DDBDHN CC(C)[C@@H]1CN(C)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596133999 356785626 /nfs/dbraw/zinc/78/56/26/356785626.db2.gz BSUIZJBFIPJYAB-AWEZNQCLSA-N 0 3 306.366 1.470 20 5 DDBDHN Cc1cc(N2CCN(CCN(C)C)C(=O)C2)c([N+](=O)[O-])s1 ZINC000596290207 356846838 /nfs/dbraw/zinc/84/68/38/356846838.db2.gz LKTZNEZDMRRSDA-UHFFFAOYSA-N 0 3 312.395 1.175 20 5 DDBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])n1C)C2 ZINC000597714734 357298687 /nfs/dbraw/zinc/29/86/87/357298687.db2.gz ISDRSLTUWYUEKA-OAHLLOKOSA-N 0 3 306.366 1.491 20 5 DDBDHN COC(=O)c1ccnc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000598600354 357648709 /nfs/dbraw/zinc/64/87/09/357648709.db2.gz AVUSQFCIORDKOK-NXEZZACHSA-N 0 3 320.349 1.814 20 5 DDBDHN CCOc1ccc([C@H](C)NC[C@H]2COCCN2C)cc1[N+](=O)[O-] ZINC000599080714 357809029 /nfs/dbraw/zinc/80/90/29/357809029.db2.gz QNDPCQBMRRAMLA-JSGCOSHPSA-N 0 3 323.393 1.975 20 5 DDBDHN CCOc1ccc([C@H](C)NCCN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599085623 357810455 /nfs/dbraw/zinc/81/04/55/357810455.db2.gz UILYBRRFSYGYAP-GXTWGEPZSA-N 0 3 323.393 1.711 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180006528 199105443 /nfs/dbraw/zinc/10/54/43/199105443.db2.gz JKGBWKCROZKPNB-LLVKDONJSA-N 0 3 321.333 1.538 20 5 DDBDHN CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)C1CCN(C)CC1 ZINC000599986723 358096511 /nfs/dbraw/zinc/09/65/11/358096511.db2.gz YOYKHFGYNXBWSW-UHFFFAOYSA-N 0 3 323.397 1.433 20 5 DDBDHN C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](C)CN1 ZINC000237411725 202258371 /nfs/dbraw/zinc/25/83/71/202258371.db2.gz XYBURMXBSGIMJS-VXGBXAGGSA-N 0 3 306.366 1.606 20 5 DDBDHN C[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H](C)N1 ZINC000601196754 358443508 /nfs/dbraw/zinc/44/35/08/358443508.db2.gz UOYSRUMKTBZQIF-KNVOCYPGSA-N 0 3 307.276 1.534 20 5 DDBDHN CN(CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)CC(C)(C)C ZINC000602135231 358836620 /nfs/dbraw/zinc/83/66/20/358836620.db2.gz YXFPHVWVEUBXNM-UHFFFAOYSA-N 0 3 320.393 1.852 20 5 DDBDHN C[C@@H]1C[C@@H]1N1C[C@@H](NCCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000602560462 359046047 /nfs/dbraw/zinc/04/60/47/359046047.db2.gz ZSBSGUNAZDOFJD-ZLDLUXBVSA-N 0 3 303.362 1.736 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(n2ccnc2)CC1 ZINC000602783083 359189393 /nfs/dbraw/zinc/18/93/93/359189393.db2.gz YDCBRRBMEYHDEW-UHFFFAOYSA-N 0 3 304.354 1.633 20 5 DDBDHN C[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000602931189 359300513 /nfs/dbraw/zinc/30/05/13/359300513.db2.gz MJZOEUBALIEKHX-VHDGCEQUSA-N 0 3 324.377 1.427 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000602959328 359322795 /nfs/dbraw/zinc/32/27/95/359322795.db2.gz SUJPMPJAUBQYMH-RYUDHWBXSA-N 0 3 321.381 1.667 20 5 DDBDHN CCOc1cc(Cn2cc(CCN(C)C)nn2)ccc1[N+](=O)[O-] ZINC000603237030 359505565 /nfs/dbraw/zinc/50/55/65/359505565.db2.gz IRMHYXXVXVHQOZ-UHFFFAOYSA-N 0 3 319.365 1.737 20 5 DDBDHN CCO[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000604436832 359750762 /nfs/dbraw/zinc/75/07/62/359750762.db2.gz ASQVPBYQBVPZDN-GDBMZVCRSA-N 0 3 324.377 1.835 20 5 DDBDHN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCNCC1 ZINC000237875460 202375207 /nfs/dbraw/zinc/37/52/07/202375207.db2.gz QMVRJICGIUUQIH-UHFFFAOYSA-N 0 3 315.333 1.216 20 5 DDBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000609594379 360331053 /nfs/dbraw/zinc/33/10/53/360331053.db2.gz IWPJLKXTMGJXSH-GFCCVEGCSA-N 0 3 308.382 1.928 20 5 DDBDHN CN1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000609675065 360343054 /nfs/dbraw/zinc/34/30/54/360343054.db2.gz RFMBUGPEENNJKI-GFCCVEGCSA-N 0 3 310.423 1.873 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](C(F)F)C2)c1 ZINC000611180230 360651955 /nfs/dbraw/zinc/65/19/55/360651955.db2.gz VGILWVDWTVSJCA-ZYHUDNBSSA-N 0 3 316.304 1.922 20 5 DDBDHN CCN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611092572 360621513 /nfs/dbraw/zinc/62/15/13/360621513.db2.gz ZXWZEJLEPRSPTL-ZDUSSCGKSA-N 0 3 320.393 1.949 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000292596651 223164643 /nfs/dbraw/zinc/16/46/43/223164643.db2.gz RIQXUGDPVHDKBY-OAHLLOKOSA-N 0 3 321.381 1.044 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](O)CN2CCCCC2)n1 ZINC000359079522 299322386 /nfs/dbraw/zinc/32/23/86/299322386.db2.gz BQGVWPFKVQKWQF-CYBMUJFWSA-N 0 3 308.382 1.865 20 5 DDBDHN C[C@H](NC(=O)C[C@H]1CSCCN1)c1cccc([N+](=O)[O-])c1 ZINC000091135440 193001863 /nfs/dbraw/zinc/00/18/63/193001863.db2.gz KDNRZEQWCOKVOO-JQWIXIFHSA-N 0 3 309.391 1.867 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCNC[C@@H]1C(F)F ZINC000566242691 304132144 /nfs/dbraw/zinc/13/21/44/304132144.db2.gz IMQRSJZAFSPZOE-LLVKDONJSA-N 0 3 301.293 1.642 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCNC[C@H]1C(F)F ZINC000566242692 304132158 /nfs/dbraw/zinc/13/21/58/304132158.db2.gz IMQRSJZAFSPZOE-NSHDSACASA-N 0 3 301.293 1.642 20 5 DDBDHN COCCN1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000264593105 204014699 /nfs/dbraw/zinc/01/46/99/204014699.db2.gz LUHWOTJXLCGPDA-LBPRGKRZSA-N 0 3 308.338 1.437 20 5 DDBDHN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCCN(CC2CCC2)CC1 ZINC000566960567 304189640 /nfs/dbraw/zinc/18/96/40/304189640.db2.gz QAUGPVQYHJKMRP-UHFFFAOYSA-N 0 3 307.354 1.266 20 5 DDBDHN COCC(=O)N1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000336850618 249255913 /nfs/dbraw/zinc/25/59/13/249255913.db2.gz XZJWBSNVDDBNTB-UHFFFAOYSA-N 0 3 307.350 1.322 20 5 DDBDHN CCNC(=O)C[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000284794152 218180236 /nfs/dbraw/zinc/18/02/36/218180236.db2.gz OERPLHXNHHGJDD-GFCCVEGCSA-N 0 3 309.370 1.172 20 5 DDBDHN CC[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000105825723 194138088 /nfs/dbraw/zinc/13/80/88/194138088.db2.gz XGLYJJYLFLZQPJ-UKRRQHHQSA-N 0 3 307.394 1.872 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H](N(C)C)C1 ZINC000109808060 194287789 /nfs/dbraw/zinc/28/77/89/194287789.db2.gz IFGAZMWNCCWKGI-CQSZACIVSA-N 0 3 320.393 1.868 20 5 DDBDHN CN(C)[C@@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000109805714 194288842 /nfs/dbraw/zinc/28/88/42/194288842.db2.gz HTASMSKCIBNRHM-OAHLLOKOSA-N 0 3 320.393 1.584 20 5 DDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc2c(c1)CNCC2 ZINC000269230122 207354492 /nfs/dbraw/zinc/35/44/92/207354492.db2.gz VGRCRUYBKZAQNB-UHFFFAOYSA-N 0 3 301.306 1.076 20 5 DDBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000157019864 197156303 /nfs/dbraw/zinc/15/63/03/197156303.db2.gz PBCGEQMXEZFIFI-TZMCWYRMSA-N 0 3 318.377 1.733 20 5 DDBDHN CC(C)[C@@](C)(CO)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000352894001 285368103 /nfs/dbraw/zinc/36/81/03/285368103.db2.gz QOYAIRNJFYDKAI-OAHLLOKOSA-N 0 3 310.350 1.958 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000073991418 406898172 /nfs/dbraw/zinc/89/81/72/406898172.db2.gz WHVJUKOBDKNFMQ-MNOVXSKESA-N 0 3 321.381 1.579 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000073991418 406898173 /nfs/dbraw/zinc/89/81/73/406898173.db2.gz WHVJUKOBDKNFMQ-MNOVXSKESA-N 0 3 321.381 1.579 20 5 DDBDHN CC[C@H](NC[C@H](O)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000089515124 407138301 /nfs/dbraw/zinc/13/83/01/407138301.db2.gz DUEYZMVZBTYISY-GJZGRUSLSA-N 0 3 321.377 1.619 20 5 DDBDHN C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCN1C ZINC000123246790 407323784 /nfs/dbraw/zinc/32/37/84/407323784.db2.gz WHTUENXVUYFUOZ-NEPJUHHUSA-N 0 3 323.397 1.468 20 5 DDBDHN COC(=O)C(C)(C)CN[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000151835251 407506699 /nfs/dbraw/zinc/50/66/99/407506699.db2.gz RXWCCQKESHLJRU-SNVBAGLBSA-N 0 3 323.349 1.711 20 5 DDBDHN CN1CCC(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000170639339 407461676 /nfs/dbraw/zinc/46/16/76/407461676.db2.gz JKUXGBYNYDTSFN-UHFFFAOYSA-N 0 3 304.350 1.986 20 5 DDBDHN COc1cc(CCNC(=O)CNC2CC2)c([N+](=O)[O-])cc1OC ZINC000178910430 407653501 /nfs/dbraw/zinc/65/35/01/407653501.db2.gz RIJFDEZMQPECQG-UHFFFAOYSA-N 0 3 323.349 1.023 20 5 DDBDHN COc1ccc(C(=O)N(C)CCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000186715202 407752730 /nfs/dbraw/zinc/75/27/30/407752730.db2.gz YVNFKNOKBXMHBN-UHFFFAOYSA-N 0 3 307.350 1.770 20 5 DDBDHN CN1CCC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000171756289 407762412 /nfs/dbraw/zinc/76/24/12/407762412.db2.gz XRYWMKUHTBHVAU-ZDUSSCGKSA-N 0 3 306.366 1.736 20 5 DDBDHN CN(C)C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000116788444 407776348 /nfs/dbraw/zinc/77/63/48/407776348.db2.gz YTVLYEUKMLPIJE-HSBSLETESA-N 0 3 319.361 1.397 20 5 DDBDHN CC[C@H](NCC1(C(N)=O)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153172219 407768727 /nfs/dbraw/zinc/76/87/27/407768727.db2.gz CGWILPMVZHIYBM-AWEZNQCLSA-N 0 3 321.377 1.918 20 5 DDBDHN CC(=O)NC[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153784860 407900424 /nfs/dbraw/zinc/90/04/24/407900424.db2.gz WDIVRPSSFFXETD-BBRMVZONSA-N 0 3 321.377 1.476 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272601489 408000137 /nfs/dbraw/zinc/00/01/37/408000137.db2.gz HERRHLAHXCIDNP-SKDRFNHKSA-N 0 3 304.350 1.390 20 5 DDBDHN CC[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000273121060 408064123 /nfs/dbraw/zinc/06/41/23/408064123.db2.gz HMMOILAFVIHNSM-MBNYWOFBSA-N 0 3 310.350 1.037 20 5 DDBDHN COC(=O)c1cc(N2CCCN(C)CC2)cc(C)c1[N+](=O)[O-] ZINC000268518329 408081240 /nfs/dbraw/zinc/08/12/40/408081240.db2.gz ZBQQDHXYAGQEQN-UHFFFAOYSA-N 0 3 307.350 1.832 20 5 DDBDHN COC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000136636410 408116666 /nfs/dbraw/zinc/11/66/66/408116666.db2.gz ZDQKPOXMCPOTRL-GXFFZTMASA-N 0 3 307.350 1.936 20 5 DDBDHN Cc1c([C@H](C)NC[C@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000268733122 408183224 /nfs/dbraw/zinc/18/32/24/408183224.db2.gz CSJVQZHHOHTWMV-NWDGAFQWSA-N 0 3 312.391 1.989 20 5 DDBDHN CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000151100592 408255318 /nfs/dbraw/zinc/25/53/18/408255318.db2.gz YPRSQQCYOKACRS-GFCCVEGCSA-N 0 3 306.366 1.559 20 5 DDBDHN CCN(CCNC(=O)CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000263739977 408235960 /nfs/dbraw/zinc/23/59/60/408235960.db2.gz OHBKVVRMCCAVGW-UHFFFAOYSA-N 0 3 320.393 1.997 20 5 DDBDHN CN1CCN(CCCNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000269349992 408279114 /nfs/dbraw/zinc/27/91/14/408279114.db2.gz FUAHLOUBCRSUJP-UHFFFAOYSA-N 0 3 313.789 1.693 20 5 DDBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000246810256 408344639 /nfs/dbraw/zinc/34/46/39/408344639.db2.gz DGQAWKPSBNGHOA-ZYHUDNBSSA-N 0 3 306.366 1.636 20 5 DDBDHN CC(C)N1CCC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000274466379 408415306 /nfs/dbraw/zinc/41/53/06/408415306.db2.gz KRKSQUOFAIIPAE-LBPRGKRZSA-N 0 3 309.370 1.170 20 5 DDBDHN CCOC(=O)[C@](C)(O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000274671088 408489123 /nfs/dbraw/zinc/48/91/23/408489123.db2.gz SMIZFFYUXRXEKP-IAQYHMDHSA-N 0 3 310.350 1.868 20 5 DDBDHN C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000270847513 408706831 /nfs/dbraw/zinc/70/68/31/408706831.db2.gz XENUILWEIIWGMG-NSHDSACASA-N 0 3 309.370 1.179 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@H]1CCOC1 ZINC000163082121 408758731 /nfs/dbraw/zinc/75/87/31/408758731.db2.gz ZZURGYUHBOKZDX-RYUDHWBXSA-N 0 3 307.350 1.856 20 5 DDBDHN C[C@@H]1CN(CCCNC(=O)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000277343462 408922975 /nfs/dbraw/zinc/92/29/75/408922975.db2.gz BDMHSISYKDYSSX-CYBMUJFWSA-N 0 3 321.377 1.826 20 5 DDBDHN COC[C@@H](Cc1ccccc1)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000191482912 163188892 /nfs/dbraw/zinc/18/88/92/163188892.db2.gz SSDLEKAQTBOUDK-OAHLLOKOSA-N 0 3 318.377 1.981 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCC[C@@H]1CCO ZINC000286172933 408935454 /nfs/dbraw/zinc/93/54/54/408935454.db2.gz OSUQJYPACXBHMV-DOMZBBRYSA-N 0 3 321.377 1.982 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000286989438 409002968 /nfs/dbraw/zinc/00/29/68/409002968.db2.gz GXVHQJYVZHKGAX-GHMZBOCLSA-N 0 3 307.354 1.325 20 5 DDBDHN Cc1[nH]nc(C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000286989438 409002970 /nfs/dbraw/zinc/00/29/70/409002970.db2.gz GXVHQJYVZHKGAX-GHMZBOCLSA-N 0 3 307.354 1.325 20 5 DDBDHN CN1CC[C@@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)C1 ZINC000293861864 409196102 /nfs/dbraw/zinc/19/61/02/409196102.db2.gz KQOLGHFJYFBELY-OAHLLOKOSA-N 0 3 304.350 1.345 20 5 DDBDHN CN(C(=O)CN[C@@H]1CCC[C@@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000279289290 409185183 /nfs/dbraw/zinc/18/51/83/409185183.db2.gz PGDBHBQBAJDXNR-IUODEOHRSA-N 0 3 321.377 1.698 20 5 DDBDHN CN(C)c1cc(F)c(C(=O)NC[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000294908298 409306550 /nfs/dbraw/zinc/30/65/50/409306550.db2.gz SCBNOVICCTYEFS-JTQLQIEISA-N 0 3 324.356 1.624 20 5 DDBDHN C[C@H](CN1CCOCC1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000285176790 409403217 /nfs/dbraw/zinc/40/32/17/409403217.db2.gz BLASBPBJJFAWBI-CQSZACIVSA-N 0 3 307.394 1.790 20 5 DDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCN2CCC[C@@H]2C1 ZINC000332114507 409896994 /nfs/dbraw/zinc/89/69/94/409896994.db2.gz WTQIKLZOJNIETN-OAHLLOKOSA-N 0 3 318.377 1.627 20 5 DDBDHN CCN1CC[C@@H]2OCCN(CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000339393323 410152560 /nfs/dbraw/zinc/15/25/60/410152560.db2.gz FOCNWHNXAFSCCW-SJORKVTESA-N 0 3 319.405 1.932 20 5 DDBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C(N)=O ZINC000298363002 410195848 /nfs/dbraw/zinc/19/58/48/410195848.db2.gz NCOUHVGNZLLPPL-UHFFFAOYSA-N 0 3 308.338 1.119 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)CN(C)C ZINC000351772202 410220405 /nfs/dbraw/zinc/22/04/05/410220405.db2.gz YTWFZTNALHSCTO-SNVBAGLBSA-N 0 3 310.354 1.353 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343444143 410458841 /nfs/dbraw/zinc/45/88/41/410458841.db2.gz BACASZCRRBFRGP-CMPLNLGQSA-N 0 3 309.370 1.089 20 5 DDBDHN Cc1nn(CCC(=O)N[C@H]2CCCN(C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000343459879 410469930 /nfs/dbraw/zinc/46/99/30/410469930.db2.gz WTJNRUXNCSIALK-AAEUAGOBSA-N 0 3 323.397 1.397 20 5 DDBDHN C[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000343415858 410432148 /nfs/dbraw/zinc/43/21/48/410432148.db2.gz LPVLZNPDNXGZJM-VNHYZAJKSA-N 0 3 324.377 1.427 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000334042895 410627005 /nfs/dbraw/zinc/62/70/05/410627005.db2.gz ZJOOVADPLCQLMS-MNOVXSKESA-N 0 3 307.350 1.816 20 5 DDBDHN Cc1ccnc(NC[C@H](O)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000301306558 410695419 /nfs/dbraw/zinc/69/54/19/410695419.db2.gz VDIIXHFZSOFJBA-ZDUSSCGKSA-N 0 3 308.382 1.803 20 5 DDBDHN C[C@@H]1CCC[C@@H](C)N1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000347885065 410772956 /nfs/dbraw/zinc/77/29/56/410772956.db2.gz ZKLRCVGHKBUSOF-VXGBXAGGSA-N 0 3 318.381 2.312 20 5 DDBDHN CC(C)(C)C1=CCN(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000330610470 410824999 /nfs/dbraw/zinc/82/49/99/410824999.db2.gz UPEOCZUUGXPFHJ-UHFFFAOYSA-N 0 3 321.381 1.726 20 5 DDBDHN CN(C)[C@H]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000330632824 410841370 /nfs/dbraw/zinc/84/13/70/410841370.db2.gz IVCCKBRXZNREKO-NSHDSACASA-N 0 3 309.370 1.079 20 5 DDBDHN CN1CCC[C@]2(CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)C1 ZINC000356294371 410950799 /nfs/dbraw/zinc/95/07/99/410950799.db2.gz SJMWREFAEPGLKD-INIZCTEOSA-N 0 3 318.377 1.735 20 5 DDBDHN C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1CCO ZINC000419322453 226113827 /nfs/dbraw/zinc/11/38/27/226113827.db2.gz HKDGQTWFYUWDMQ-KBPBESRZSA-N 0 3 323.393 1.361 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)n1 ZINC000191633139 222106413 /nfs/dbraw/zinc/10/64/13/222106413.db2.gz TWCQAYSQYPHLMQ-MNOVXSKESA-N 0 3 309.370 1.366 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)CN(CCN1CCCOCC1)CC2 ZINC000361313272 418623992 /nfs/dbraw/zinc/62/39/92/418623992.db2.gz IICJEUFLZJOTKW-UHFFFAOYSA-N 0 3 305.378 1.675 20 5 DDBDHN CCN(CCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1)C1CC1 ZINC000389805275 418751413 /nfs/dbraw/zinc/75/14/13/418751413.db2.gz LECDEPQVKUTNJB-UHFFFAOYSA-N 0 3 306.366 1.851 20 5 DDBDHN C[C@H]1CCN[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000422939800 227271181 /nfs/dbraw/zinc/27/11/81/227271181.db2.gz RVDKKUXTYYBYPX-FZMZJTMJSA-N 0 3 306.366 1.511 20 5 DDBDHN O=[N+]([O-])c1ccn(C2CCN(CCOCC(F)F)CC2)n1 ZINC000365516472 418869939 /nfs/dbraw/zinc/86/99/39/418869939.db2.gz RNDNJDIUURCSBK-UHFFFAOYSA-N 0 3 304.297 1.710 20 5 DDBDHN CN(C)C(=O)C1(NCCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000411917630 419482460 /nfs/dbraw/zinc/48/24/60/419482460.db2.gz YZSMOJWCCYABLP-UHFFFAOYSA-N 0 3 320.349 1.134 20 5 DDBDHN C[C@]12CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1C2(F)F ZINC000428711734 419919320 /nfs/dbraw/zinc/91/93/20/419919320.db2.gz LWUXKMKWCJRREG-UTUOFQBUSA-N 0 3 316.308 1.129 20 5 DDBDHN C[C@H]1CC[C@@H](N(CCO)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000429794233 420049062 /nfs/dbraw/zinc/04/90/62/420049062.db2.gz WTQKGLWUFBGJIV-SMDDNHRTSA-N 0 3 321.377 1.677 20 5 DDBDHN Cc1cc(NC(=O)NCCNc2ccncc2)ccc1[N+](=O)[O-] ZINC000429974500 420065001 /nfs/dbraw/zinc/06/50/01/420065001.db2.gz YFUVPDXYNPDIQQ-UHFFFAOYSA-N 0 3 315.333 1.954 20 5 DDBDHN COc1cccc(C(=O)N[C@@H]2CNCCC2(F)F)c1[N+](=O)[O-] ZINC000423694727 420129172 /nfs/dbraw/zinc/12/91/72/420129172.db2.gz HZODNWXJAPAZSP-SNVBAGLBSA-N 0 3 315.276 1.330 20 5 DDBDHN CCCC[C@@H](CN)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000415489836 420087371 /nfs/dbraw/zinc/08/73/71/420087371.db2.gz BPKFRSKMPRRETK-NSHDSACASA-N 0 3 322.365 1.475 20 5 DDBDHN O=C(C[C@H]1CSCCN1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423729707 420146801 /nfs/dbraw/zinc/14/68/01/420146801.db2.gz VEILOLQRVGAHBK-QMMMGPOBSA-N 0 3 321.362 1.505 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCNCC2)c1 ZINC000420399961 420263889 /nfs/dbraw/zinc/26/38/89/420263889.db2.gz CVOLKMCSEMJOPG-UHFFFAOYSA-N 0 3 313.379 1.196 20 5 DDBDHN CN(C)C1(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000416292988 420309589 /nfs/dbraw/zinc/30/95/89/420309589.db2.gz TYZPROXDCFISJM-UHFFFAOYSA-N 0 3 320.393 1.997 20 5 DDBDHN C[C@H](CO)[C@H](C)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000450738285 420519339 /nfs/dbraw/zinc/51/93/39/420519339.db2.gz MKWWMXXCGDUSOO-UHIISALHSA-N 0 3 307.350 1.307 20 5 DDBDHN C[C@@H]1C[C@@H](O)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000452068433 420620402 /nfs/dbraw/zinc/62/04/02/420620402.db2.gz NYJKOKVLTPWQKH-VXGBXAGGSA-N 0 3 307.350 1.626 20 5 DDBDHN CNc1nc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455657474 421049364 /nfs/dbraw/zinc/04/93/64/421049364.db2.gz MFEZJUZEXLUVAZ-QWRGUYRKSA-N 0 3 319.365 1.340 20 5 DDBDHN C[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N(C)C ZINC000455439503 421015826 /nfs/dbraw/zinc/01/58/26/421015826.db2.gz ZTSSUTNJFGBVCD-NSHDSACASA-N 0 3 306.366 1.613 20 5 DDBDHN CO[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1OC ZINC000488097403 421070736 /nfs/dbraw/zinc/07/07/36/421070736.db2.gz UHGOGQASTJXRFN-ZIAGYGMSSA-N 0 3 323.349 1.269 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(CC[C@@H]3CCOC3)CC2)cn1 ZINC000525865050 421307348 /nfs/dbraw/zinc/30/73/48/421307348.db2.gz NRSCNFGZEQEVHG-CYBMUJFWSA-N 0 3 306.366 1.538 20 5 DDBDHN CC(COC(=O)C1(CNC(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000496412942 421250911 /nfs/dbraw/zinc/25/09/11/421250911.db2.gz VJAQVMQYXIKQTC-VIFPVBQESA-N 0 3 302.327 1.500 20 5 DDBDHN C[C@@H]1CCN(C)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000524590596 421262902 /nfs/dbraw/zinc/26/29/02/421262902.db2.gz MERNYVKTGRQZOY-GFCCVEGCSA-N 0 3 306.366 1.830 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000524783284 421272832 /nfs/dbraw/zinc/27/28/32/421272832.db2.gz FTGMFNKPELCJOC-DGCLKSJQSA-N 0 3 306.366 1.877 20 5 DDBDHN CC(COC(=O)CC1CN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000497101945 421362841 /nfs/dbraw/zinc/36/28/41/421362841.db2.gz MHKDDCLJEIQJEO-VIFPVBQESA-N 0 3 302.327 1.452 20 5 DDBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000562557239 421381271 /nfs/dbraw/zinc/38/12/71/421381271.db2.gz KWQRCXLMRDQRBM-NSHDSACASA-N 0 3 309.370 1.558 20 5 DDBDHN CN1CCC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000517456855 421614857 /nfs/dbraw/zinc/61/48/57/421614857.db2.gz AROHNCIZNBEXQR-JTQLQIEISA-N 0 3 321.333 1.395 20 5 DDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)N1CCC[C@@H](C)C1 ZINC000518772206 421667410 /nfs/dbraw/zinc/66/74/10/421667410.db2.gz ZYNLXLMVKZXSSG-VXGBXAGGSA-N 0 3 308.382 1.784 20 5 DDBDHN Cc1cc(NC(=O)N2CCN(C)C[C@H]2CN)ccc1[N+](=O)[O-] ZINC000580880963 421853791 /nfs/dbraw/zinc/85/37/91/421853791.db2.gz IPJOMTUQOKRROJ-GFCCVEGCSA-N 0 3 307.354 1.010 20 5 DDBDHN CC[C@@H](CCO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573120039 421924805 /nfs/dbraw/zinc/92/48/05/421924805.db2.gz CJJVTILTOWQBRX-NSHDSACASA-N 0 3 316.379 1.119 20 5 DDBDHN Cc1c(NC(=O)c2ccn(CCN(C)C)n2)cccc1[N+](=O)[O-] ZINC000583508720 422175095 /nfs/dbraw/zinc/17/50/95/422175095.db2.gz RNLBMZRFCYNRNC-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN COC(=O)CN(C)C(=O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341590217 271131073 /nfs/dbraw/zinc/13/10/73/271131073.db2.gz UUAVADFLCQHBQT-LLVKDONJSA-N 0 3 323.349 1.267 20 5 DDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000344650266 272079653 /nfs/dbraw/zinc/07/96/53/272079653.db2.gz WSCPQTMEOUJZFR-LLVKDONJSA-N 0 3 309.370 1.179 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1CCS(=O)(=O)C1)CCC2 ZINC000278354967 275038190 /nfs/dbraw/zinc/03/81/90/275038190.db2.gz ZRIGKXQSKBSKEY-IAQYHMDHSA-N 0 3 324.402 1.997 20 5 DDBDHN CN1CCC[C@@H](N2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)C1 ZINC000301285353 277053739 /nfs/dbraw/zinc/05/37/39/277053739.db2.gz LNMLZXQKTZWBOO-CYBMUJFWSA-N 0 3 322.384 1.950 20 5 DDBDHN C[C@@H]1CNCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000261538113 278838880 /nfs/dbraw/zinc/83/88/80/278838880.db2.gz DBSNYPDHDQIUOO-SSDOTTSWSA-N 0 3 301.144 1.550 20 5 DDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420635549 297411944 /nfs/dbraw/zinc/41/19/44/297411944.db2.gz ZLDIJIYXCHTNNG-NEPJUHHUSA-N 0 3 318.377 1.757 20 5 DDBDHN C[C@@H](CN1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000356464244 298798700 /nfs/dbraw/zinc/79/87/00/298798700.db2.gz JENDMFUTWVNUOZ-LBPRGKRZSA-N 0 3 308.382 1.928 20 5 DDBDHN COCCO[C@@H]1COCC[C@H]1NCc1ccc([N+](=O)[O-])cc1C ZINC000362506480 300080968 /nfs/dbraw/zinc/08/09/68/300080968.db2.gz AYGQQSIMSPFXIA-HZPDHXFCSA-N 0 3 324.377 1.813 20 5 DDBDHN COCCO[C@@H]1COCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1C ZINC000362506481 300081070 /nfs/dbraw/zinc/08/10/70/300081070.db2.gz AYGQQSIMSPFXIA-JKSUJKDBSA-N 0 3 324.377 1.813 20 5 DDBDHN CCN1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000363395151 300261874 /nfs/dbraw/zinc/26/18/74/300261874.db2.gz HUFOSTVISIAWJY-UHFFFAOYSA-N 0 3 317.349 1.639 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000367399492 300842863 /nfs/dbraw/zinc/84/28/63/300842863.db2.gz PGLVCVIRGLYACH-NSHDSACASA-N 0 3 320.349 1.314 20 5 DDBDHN COc1cc(N2CCCN(CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000368722233 301081266 /nfs/dbraw/zinc/08/12/66/301081266.db2.gz NZTULLULPGOPOZ-UHFFFAOYSA-N 0 3 323.393 1.886 20 5 DDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000370465579 301344525 /nfs/dbraw/zinc/34/45/25/301344525.db2.gz TWVADDFRNRVSHC-NEPJUHHUSA-N 0 3 323.324 1.327 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000420435419 301557108 /nfs/dbraw/zinc/55/71/08/301557108.db2.gz GSRNSLLHCNDJBK-VHSXEESVSA-N 0 3 301.368 1.226 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC[C@@H]1CN(C)C ZINC000519142353 302834512 /nfs/dbraw/zinc/83/45/12/302834512.db2.gz IRXQOVMSRDDWBL-CYBMUJFWSA-N 0 3 323.397 1.433 20 5 DDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@H]1N(C)C ZINC000537924108 303381490 /nfs/dbraw/zinc/38/14/90/303381490.db2.gz OXSAQPAMUYJVCA-NEPJUHHUSA-N 0 3 312.395 1.051 20 5 DDBDHN COC[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000542524883 303441437 /nfs/dbraw/zinc/44/14/37/303441437.db2.gz DQOWAOZUNVUYJM-LSDHHAIUSA-N 0 3 321.377 1.961 20 5 DDBDHN Cc1nc(N2CCCN(CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000368724224 307108754 /nfs/dbraw/zinc/10/87/54/307108754.db2.gz ZBSFHLWUFLBOLE-UHFFFAOYSA-N 0 3 308.382 1.581 20 5 DDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc2c1CNCC2 ZINC000375956124 307235755 /nfs/dbraw/zinc/23/57/55/307235755.db2.gz AIJUMNKPLWAKED-UHFFFAOYSA-N 0 3 301.306 1.076 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000376643033 307251226 /nfs/dbraw/zinc/25/12/26/307251226.db2.gz MSTRXQXZQSUFFX-RISCZKNCSA-N 0 3 304.350 1.464 20 5 DDBDHN NC[C@H]1c2ccccc2CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000516570820 307417856 /nfs/dbraw/zinc/41/78/56/307417856.db2.gz GYNGZDMNNRHVAI-AWEZNQCLSA-N 0 3 301.350 1.349 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC[C@@H](F)C2)cc1 ZINC000566131423 308045828 /nfs/dbraw/zinc/04/58/28/308045828.db2.gz ZBFXMEYRPUUXND-GHMZBOCLSA-N 0 3 316.354 1.849 20 5 DDBDHN C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000577290582 308377811 /nfs/dbraw/zinc/37/78/11/308377811.db2.gz RGSMDQRISPAAAB-ZWKOPEQDSA-N 0 3 307.350 1.671 20 5 DDBDHN COCCCN(C)CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000577437248 308387821 /nfs/dbraw/zinc/38/78/21/308387821.db2.gz NILBGSTYDIHPSV-ZDUSSCGKSA-N 0 3 323.393 1.783 20 5 DDBDHN CC1(C)CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCN1 ZINC000581122423 308655166 /nfs/dbraw/zinc/65/51/66/308655166.db2.gz LMJVDKMEZDCHFB-UHFFFAOYSA-N 0 3 303.322 1.432 20 5 DDBDHN CN(C)C[C@H](O)CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000584118272 331835790 /nfs/dbraw/zinc/83/57/90/331835790.db2.gz PHKUMBRGCQCDAC-VXGBXAGGSA-N 0 3 321.299 1.710 20 5 DDBDHN C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000584478659 337348225 /nfs/dbraw/zinc/34/82/25/337348225.db2.gz YHNRSBLJAYZRRA-ZWKOPEQDSA-N 0 3 307.350 1.671 20 5 DDBDHN C[C@H](NCCN1C(=O)CN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595413584 500926705 /nfs/dbraw/zinc/92/67/05/500926705.db2.gz CNPAJNMELLCXBI-JTQLQIEISA-N 0 3 306.322 1.139 20 5 DDBDHN COC(=O)Cc1ccc(NC[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000295641932 533761932 /nfs/dbraw/zinc/76/19/32/533761932.db2.gz YNCGQDDXNPYBKN-LBPRGKRZSA-N 0 3 307.350 1.816 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCSC[C@H]1C1CCC1 ZINC000419376547 534321927 /nfs/dbraw/zinc/32/19/27/534321927.db2.gz SDKSMQDYNPGRER-AWEZNQCLSA-N 0 3 323.418 1.974 20 5 DDBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCC[N@H+](C)C1 ZINC000736856697 599120085 /nfs/dbraw/zinc/12/00/85/599120085.db2.gz LZJVAEODYQMBCM-NSHDSACASA-N 0 3 317.353 1.305 20 5 DDBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCC[N@@H+](C)C1 ZINC000736856697 599120086 /nfs/dbraw/zinc/12/00/86/599120086.db2.gz LZJVAEODYQMBCM-NSHDSACASA-N 0 3 317.353 1.305 20 5 DDBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCC[N@H+](C)C1 ZINC000736856697 599120088 /nfs/dbraw/zinc/12/00/88/599120088.db2.gz LZJVAEODYQMBCM-NSHDSACASA-N 0 3 317.353 1.305 20 5 DDBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCC[N@@H+](C)C1 ZINC000736856697 599120090 /nfs/dbraw/zinc/12/00/90/599120090.db2.gz LZJVAEODYQMBCM-NSHDSACASA-N 0 3 317.353 1.305 20 5 DDBDHN CC[C@@H](C)[N@H+](C)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736324697 598420577 /nfs/dbraw/zinc/42/05/77/598420577.db2.gz HPRQLMWGUMSUQN-SNVBAGLBSA-N 0 3 319.369 1.917 20 5 DDBDHN CC[C@@H](C)[N@@H+](C)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736324697 598420578 /nfs/dbraw/zinc/42/05/78/598420578.db2.gz HPRQLMWGUMSUQN-SNVBAGLBSA-N 0 3 319.369 1.917 20 5 DDBDHN CC[C@@H](C)[N@H+](C)CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736324697 598420580 /nfs/dbraw/zinc/42/05/80/598420580.db2.gz HPRQLMWGUMSUQN-SNVBAGLBSA-N 0 3 319.369 1.917 20 5 DDBDHN CC[C@@H](C)[N@@H+](C)CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736324697 598420581 /nfs/dbraw/zinc/42/05/81/598420581.db2.gz HPRQLMWGUMSUQN-SNVBAGLBSA-N 0 3 319.369 1.917 20 5 DDBDHN CC[N@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC000736537478 598500857 /nfs/dbraw/zinc/50/08/57/598500857.db2.gz TYCMRQYZGWWWHY-UHFFFAOYSA-N 0 3 318.341 1.066 20 5 DDBDHN CC[N@@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC000736537478 598500858 /nfs/dbraw/zinc/50/08/58/598500858.db2.gz TYCMRQYZGWWWHY-UHFFFAOYSA-N 0 3 318.341 1.066 20 5 DDBDHN CC[N@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC000736537478 598500859 /nfs/dbraw/zinc/50/08/59/598500859.db2.gz TYCMRQYZGWWWHY-UHFFFAOYSA-N 0 3 318.341 1.066 20 5 DDBDHN CC[N@@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC000736537478 598500860 /nfs/dbraw/zinc/50/08/60/598500860.db2.gz TYCMRQYZGWWWHY-UHFFFAOYSA-N 0 3 318.341 1.066 20 5 DDBDHN Cc1cccnc1CN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000981137394 697015541 /nfs/dbraw/zinc/01/55/41/697015541.db2.gz SGLGJWFDUJOILV-UKRRQHHQSA-N 0 3 318.377 1.090 20 5 DDBDHN CN(CCc1cnccn1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776599210 698125530 /nfs/dbraw/zinc/12/55/30/698125530.db2.gz XDFSXOWFLUABFD-HNNXBMFYSA-N 0 3 302.334 1.593 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(C2OCCO2)CC1 ZINC000718987825 699296766 /nfs/dbraw/zinc/29/67/66/699296766.db2.gz KJHCONQEEYVNLD-UHFFFAOYSA-N 0 3 310.354 1.185 20 5 DDBDHN C[C@@H]1OCC[C@@H]1N(CCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796575373 699939808 /nfs/dbraw/zinc/93/98/08/699939808.db2.gz OILNKEAFOLEXGZ-TUKIKUTGSA-N 0 3 310.350 1.100 20 5 DDBDHN C[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000744385203 699947481 /nfs/dbraw/zinc/94/74/81/699947481.db2.gz MZKFFYHYVHAYNT-WFASDCNBSA-N 0 3 316.361 1.772 20 5 DDBDHN CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1CCN(C2CC2)C1 ZINC000801891053 700351289 /nfs/dbraw/zinc/35/12/89/700351289.db2.gz GNAYFLQWFZVQBI-JTQLQIEISA-N 0 3 322.340 1.625 20 5 DDBDHN COC(=O)C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000754524387 700508167 /nfs/dbraw/zinc/50/81/67/700508167.db2.gz XENFKZTZEBEGFN-LBPRGKRZSA-N 0 3 321.333 1.465 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N2CCCN(C[C@H]3CCCO3)CC2)n1 ZINC000765461401 701013935 /nfs/dbraw/zinc/01/39/35/701013935.db2.gz ABMLHTWCGHEQGL-CQSZACIVSA-N 0 3 320.393 1.989 20 5 DDBDHN CCN(CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC000810043759 701716116 /nfs/dbraw/zinc/71/61/16/701716116.db2.gz DWSZPQRUWSWBOJ-UHFFFAOYSA-N 0 3 320.342 1.784 20 5 DDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1ccc(C)cc1 ZINC000813102263 702290737 /nfs/dbraw/zinc/29/07/37/702290737.db2.gz CVXJRBAKQCCBGU-SNVBAGLBSA-N 0 3 304.306 1.706 20 5 DDBDHN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813101726 702290893 /nfs/dbraw/zinc/29/08/93/702290893.db2.gz HSPSUCVCHWJRAN-SSDOTTSWSA-N 0 3 323.271 1.813 20 5 DDBDHN COc1ccc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813103115 702291364 /nfs/dbraw/zinc/29/13/64/702291364.db2.gz OCMGLFBZVYBXPB-GHMZBOCLSA-N 0 3 322.317 1.257 20 5 DDBDHN CC(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)[N+](=O)[O-] ZINC000813103993 702291888 /nfs/dbraw/zinc/29/18/88/702291888.db2.gz VUVJPILKIYXBNZ-VIFPVBQESA-N 0 3 305.290 1.476 20 5 DDBDHN CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813103448 702291995 /nfs/dbraw/zinc/29/19/95/702291995.db2.gz AYMPNAQXRWBKFK-CMPLNLGQSA-N 0 3 309.322 1.044 20 5 DDBDHN CCC(CC)[C@H](C(=O)OCC(C)[N+](=O)[O-])N1CCOCC1 ZINC000813103787 702292228 /nfs/dbraw/zinc/29/22/28/702292228.db2.gz TZTHIKATGJGSNG-DGCLKSJQSA-N 0 3 302.371 1.332 20 5 DDBDHN CC(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)[N+](=O)[O-] ZINC000813115017 702299017 /nfs/dbraw/zinc/29/90/17/702299017.db2.gz IYFWUVWTTHKMDS-DGCLKSJQSA-N 0 3 306.318 1.244 20 5 DDBDHN O=[N+]([O-])c1ccccc1Cc1noc(C[C@H]2CNCCO2)n1 ZINC000843170922 702832593 /nfs/dbraw/zinc/83/25/93/702832593.db2.gz NAGVSBTYDXVTME-NSHDSACASA-N 0 3 304.306 1.100 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879534845 706711581 /nfs/dbraw/zinc/71/15/81/706711581.db2.gz YXNWXTUQXWJGDI-HONMWMINSA-N 0 3 317.345 1.511 20 5 DDBDHN CC(C)(C)N1CC[C@H]1COC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000845736059 703195102 /nfs/dbraw/zinc/19/51/02/703195102.db2.gz RHGDHDLHLZRSJK-NSHDSACASA-N 0 3 324.381 1.942 20 5 DDBDHN CC([C@H](OC(=O)[C@@H]1CCN(C)C1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845878087 703211619 /nfs/dbraw/zinc/21/16/19/703211619.db2.gz QNHLDYZSEQBEMZ-XWIASGKRSA-N 0 3 324.308 1.554 20 5 DDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC(=O)N(C)C1 ZINC000846920832 703352029 /nfs/dbraw/zinc/35/20/29/703352029.db2.gz OHDNONXBUJAWFG-KBPBESRZSA-N 0 3 307.350 1.181 20 5 DDBDHN CC[C@@H]1CN(C)CCCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846972750 703359184 /nfs/dbraw/zinc/35/91/84/703359184.db2.gz MMWKJAPOBYVRCG-UKRRQHHQSA-N 0 3 321.377 1.571 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN(CCOCCO)C2CCC2)c1 ZINC000852291382 703998586 /nfs/dbraw/zinc/99/85/86/703998586.db2.gz WBLRVJPBMPZDJU-INIZCTEOSA-N 0 3 324.377 1.492 20 5 DDBDHN Cc1noc(CONC(=N)[C@@H](C)OCC(C)C)c1[N+](=O)[O-] ZINC000853675651 704297425 /nfs/dbraw/zinc/29/74/25/704297425.db2.gz ZBWRYPOUOWERGS-SECBINFHSA-N 0 3 300.315 1.951 20 5 DDBDHN CC(C)[C@@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000856490362 704531028 /nfs/dbraw/zinc/53/10/28/704531028.db2.gz JYIMVQMJAFEYMI-KBPBESRZSA-N 0 3 307.350 1.085 20 5 DDBDHN CC[NH2+][C@H](C)C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857768830 704623153 /nfs/dbraw/zinc/62/31/53/704623153.db2.gz VDKQSPVJLIOVCH-SECBINFHSA-N 0 3 317.292 1.681 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874827076 705185568 /nfs/dbraw/zinc/18/55/68/705185568.db2.gz AXDOFSOVTYSJAD-KGLIPLIRSA-N 0 3 319.361 1.912 20 5 DDBDHN CCN(CCO)CCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860894339 705312855 /nfs/dbraw/zinc/31/28/55/705312855.db2.gz QCZCMXRFETVYGQ-UHFFFAOYSA-N 0 3 315.757 1.292 20 5 DDBDHN CO[C@H]1CN(C)[C@](C)(COC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000861343129 705434742 /nfs/dbraw/zinc/43/47/42/705434742.db2.gz YYEATNIWWZEMQO-ABAIWWIYSA-N 0 3 323.349 1.443 20 5 DDBDHN CN(C)CCONC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861857833 705588208 /nfs/dbraw/zinc/58/82/08/705588208.db2.gz IOZDOJPGPWDMMK-UHFFFAOYSA-N 0 3 303.318 1.971 20 5 DDBDHN CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000865718305 706505089 /nfs/dbraw/zinc/50/50/89/706505089.db2.gz XXVAVMNAPLHXSH-CYBMUJFWSA-N 0 3 321.352 1.972 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN[C@@]2(c3ccccc3)C[C@@H](O)C2)n1 ZINC000880225493 706914042 /nfs/dbraw/zinc/91/40/42/706914042.db2.gz SGEWPWMICMBSIP-OTVXOJSOSA-N 0 3 302.334 1.431 20 5 DDBDHN CO[C@@H]1COCC[C@@H]1N(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880434021 706974841 /nfs/dbraw/zinc/97/48/41/706974841.db2.gz VOMMNTDVPXIFIM-SOUVJXGZSA-N 0 3 310.350 1.364 20 5 DDBDHN Cc1c(CNC[C@H]2CC[C@H](C(=O)N(C)C)O2)cccc1[N+](=O)[O-] ZINC000873100935 707732137 /nfs/dbraw/zinc/73/21/37/707732137.db2.gz JFLDRMWLZHQZRB-UKRRQHHQSA-N 0 3 321.377 1.629 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H]2CCCN3CCO)c(F)c1 ZINC000897220529 708258908 /nfs/dbraw/zinc/25/89/08/708258908.db2.gz XCDXIFYUDIIXLQ-LSDHHAIUSA-N 0 3 309.341 1.769 20 5 DDBDHN O=[N+]([O-])c1ncccc1CN1CCC[C@H](N2CCOCC2)CC1 ZINC000886188160 708712043 /nfs/dbraw/zinc/71/20/43/708712043.db2.gz MENSLUBVGYBHGT-HNNXBMFYSA-N 0 3 320.393 1.677 20 5 DDBDHN CCOc1ccc([C@H](C)NCCN2CCNC2=O)cc1[N+](=O)[O-] ZINC000886743295 708832341 /nfs/dbraw/zinc/83/23/41/708832341.db2.gz ZTPWHGUBTOJJKN-NSHDSACASA-N 0 3 322.365 1.669 20 5 DDBDHN COc1cc([C@@H](C)NCCN2CCNC2=O)cc([N+](=O)[O-])c1 ZINC000903218133 711069857 /nfs/dbraw/zinc/06/98/57/711069857.db2.gz AXKQOQNXJNYJTK-SNVBAGLBSA-N 0 3 308.338 1.279 20 5 DDBDHN CC(C)Oc1nc(N(C)CCN(C)CCO)ccc1[N+](=O)[O-] ZINC000894592608 711199073 /nfs/dbraw/zinc/19/90/73/711199073.db2.gz ZGXHUYWWJJOMPD-UHFFFAOYSA-N 0 3 312.370 1.137 20 5 DDBDHN COc1c(O)ccc(CN2C[C@@H](C)N(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000894638822 711226489 /nfs/dbraw/zinc/22/64/89/711226489.db2.gz HFPJOAMLPOCPIN-PHIMTYICSA-N 0 3 309.366 1.833 20 5 DDBDHN CN1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H]1C(C)(C)C ZINC000895100667 711411393 /nfs/dbraw/zinc/41/13/93/711411393.db2.gz DTFOISQZPBLHFQ-AWEZNQCLSA-N 0 3 320.393 1.860 20 5 DDBDHN C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CN(C)CCN1C ZINC000895246826 711464541 /nfs/dbraw/zinc/46/45/41/711464541.db2.gz QNLVKDDNNJISRN-HZMBPMFUSA-N 0 3 318.381 1.517 20 5 DDBDHN COc1cc(CN2CC[C@@H](NCC[N+](=O)[O-])C2)cc(OC)c1 ZINC000905158501 711954999 /nfs/dbraw/zinc/95/49/99/711954999.db2.gz GUMHRAVEOCHXNB-CYBMUJFWSA-N 0 3 309.366 1.144 20 5 DDBDHN C[C@@H]1CN(CC[N+](=O)[O-])C[C@H]1CCNC(=O)OC(C)(C)C ZINC000931956515 714220358 /nfs/dbraw/zinc/22/03/58/714220358.db2.gz LYAZVNZZLQRQMN-VXGBXAGGSA-N 0 3 301.387 1.746 20 5 DDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000923297537 714301804 /nfs/dbraw/zinc/30/18/04/714301804.db2.gz JNRUOYXWCSKWAB-QWHCGFSZSA-N 0 3 318.377 1.702 20 5 DDBDHN Cc1ccc(N2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169037236 762192589 /nfs/dbraw/zinc/19/25/89/762192589.db2.gz RGWNCWDKZKFRIK-LSDHHAIUSA-N 0 3 304.394 1.957 20 5 DDBDHN Cc1cnc(N2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169048646 762206029 /nfs/dbraw/zinc/20/60/29/762206029.db2.gz AGPCUPOTNFPNKJ-ZIAGYGMSSA-N 0 3 305.382 1.352 20 5 DDBDHN CCC(CC)C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001154828991 759327372 /nfs/dbraw/zinc/32/73/72/759327372.db2.gz KQPXUBUOZMDUFI-UHFFFAOYSA-N 0 3 311.386 1.360 20 5 DDBDHN CCOC(=O)c1ccc(N[C@@H](C)[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001170569513 768182782 /nfs/dbraw/zinc/18/27/82/768182782.db2.gz JFTJYBKFDQGVKH-HZMBPMFUSA-N 0 3 323.349 1.560 20 5 DDBDHN CCC(=O)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001048630498 769592857 /nfs/dbraw/zinc/59/28/57/769592857.db2.gz HHOHBVNUTZPPMK-OKILXGFUSA-N 0 3 303.362 1.895 20 5 DDBDHN Cc1[nH]cnc1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1F ZINC001093776595 775101321 /nfs/dbraw/zinc/10/13/21/775101321.db2.gz JXINUBSLZJIFLY-UHFFFAOYSA-N 0 3 321.312 1.536 20 5 DDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001173222729 777056283 /nfs/dbraw/zinc/05/62/83/777056283.db2.gz UZRGCJRGYOHNDL-DAXOMENPSA-N 0 3 308.378 1.591 20 5 DDBDHN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1c(C)noc1C ZINC001266560239 836469051 /nfs/dbraw/zinc/46/90/51/836469051.db2.gz FLYWNMRNPCSUCZ-TZMCWYRMSA-N 0 3 324.381 1.285 20 5 DDBDHN CCCN1CC[C@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001329416374 863654529 /nfs/dbraw/zinc/65/45/29/863654529.db2.gz LLEKPUMEEMDPAA-JSGCOSHPSA-N 0 3 307.350 1.229 20 5 DDBDHN N[C@H]1CN(C(=O)c2ccnc3c2ccc2cccnc23)C[C@H]1F ZINC001157559405 863923419 /nfs/dbraw/zinc/92/34/19/863923419.db2.gz FXDHMFUNHUFOGA-KGLIPLIRSA-N 0 3 310.332 1.904 20 5 DDBDHN Cc1ccnc(N2CCO[C@H](CN3CCCC3)C2)c1[N+](=O)[O-] ZINC001158304877 864558761 /nfs/dbraw/zinc/55/87/61/864558761.db2.gz OHTDXPFTPXLZQO-CYBMUJFWSA-N 0 3 306.366 1.599 20 5 DDBDHN CN(C)CCONC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001331184464 864928865 /nfs/dbraw/zinc/92/88/65/864928865.db2.gz LZLQQKZZOPSRCQ-UHFFFAOYSA-N 0 3 319.321 1.208 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H]1CCCN2CCO ZINC001335565332 868388246 /nfs/dbraw/zinc/38/82/46/868388246.db2.gz HYCRISVRUHFJHN-UONOGXRCSA-N 0 3 306.366 1.334 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC001335985242 868661920 /nfs/dbraw/zinc/66/19/20/868661920.db2.gz AWROHLCULGRCMP-ULQDDVLXSA-N 0 3 314.341 1.876 20 5 DDBDHN N[C@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C[C@@H]1F ZINC001165116963 869384331 /nfs/dbraw/zinc/38/43/31/869384331.db2.gz LIQYIWXYVPGDBS-YUMQZZPRSA-N 0 3 310.663 1.674 20 5 DDBDHN CC(COC(=O)[C@H]1CCN(Cc2ccccc2)C1=O)[N+](=O)[O-] ZINC001344996366 873214047 /nfs/dbraw/zinc/21/40/47/873214047.db2.gz DVKLRPXJESHXHL-AAEUAGOBSA-N 0 3 306.318 1.244 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1COC2(CNC2)C1 ZINC001357845983 880225939 /nfs/dbraw/zinc/22/59/39/880225939.db2.gz JCARYIODZTUGQZ-LLVKDONJSA-N 0 3 305.334 1.072 20 5 DDBDHN COC(=O)c1cccc(CO[C@@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC001223663418 881049999 /nfs/dbraw/zinc/04/99/99/881049999.db2.gz WNSWPEUTCCIKPL-CQSZACIVSA-N 0 3 320.345 1.992 20 5 DDBDHN C[C@]1(CO)CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001254545138 896496112 /nfs/dbraw/zinc/49/61/12/896496112.db2.gz JEBJSZLTNZEBCX-CJNGLKHVSA-N 0 3 324.377 1.429 20 5 DDBDHN CN(C)C(=O)C1(N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC001254588337 896518893 /nfs/dbraw/zinc/51/88/93/896518893.db2.gz DLBXKIYMASLWFF-ZDUSSCGKSA-N 0 3 303.362 1.663 20 5 DDBDHN Cc1ccc2c(c1)[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CO2 ZINC000563529885 303958939 /nfs/dbraw/zinc/95/89/39/303958939.db2.gz KBGHUANIKFHOPT-TZMCWYRMSA-N 0 3 318.333 1.184 20 5 DDBDHN CN(C)C[C@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000255880876 282283498 /nfs/dbraw/zinc/28/34/98/282283498.db2.gz RUSADUNWBDLOBQ-XHPSBEMXSA-N 0 3 319.361 1.397 20 5 DDBDHN C[C@H](C(=O)NC[C@](C)(O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000320158949 290819539 /nfs/dbraw/zinc/81/95/39/290819539.db2.gz HUSLGYJJHFGRMD-NHYWBVRUSA-N 0 3 309.366 1.127 20 5 DDBDHN CC[C@@]1(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000616865527 362851567 /nfs/dbraw/zinc/85/15/67/362851567.db2.gz SZCLKYCNYXBWMH-MRXNPFEDSA-N 0 3 319.361 1.643 20 5 DDBDHN CC(C)C(=O)NC[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000265994985 186352492 /nfs/dbraw/zinc/35/24/92/186352492.db2.gz JJCVHGREOGODLL-CYBMUJFWSA-N 0 3 323.397 1.276 20 5 DDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CNCCO2)c1 ZINC000564841362 304018122 /nfs/dbraw/zinc/01/81/22/304018122.db2.gz FXUMTBOAZYZUAM-VIFPVBQESA-N 0 3 311.363 1.035 20 5 DDBDHN COCCN1CC[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000491559810 234203046 /nfs/dbraw/zinc/20/30/46/234203046.db2.gz BJYCJJTYMZGVIA-ZBKLQPJUSA-N 0 3 319.361 1.445 20 5 DDBDHN C[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000063769291 352924371 /nfs/dbraw/zinc/92/43/71/352924371.db2.gz VOWXYFVELSNXKN-LBPRGKRZSA-N 0 3 308.382 1.853 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000139417929 354127857 /nfs/dbraw/zinc/12/78/57/354127857.db2.gz LAYWJMZDPGZJQN-CQSZACIVSA-N 0 3 321.381 1.400 20 5 DDBDHN CCc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000231658188 354328442 /nfs/dbraw/zinc/32/84/42/354328442.db2.gz QGFWRZHNBIAUME-LLVKDONJSA-N 0 3 310.379 1.566 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](CO)CC2)c1 ZINC000293114300 354454201 /nfs/dbraw/zinc/45/42/01/354454201.db2.gz LVKSBXOYNPTBIA-DZGCQCFKSA-N 0 3 324.377 1.429 20 5 DDBDHN Cc1cccc(C(=O)N[C@@H](CO)CN2CCCC2)c1[N+](=O)[O-] ZINC000588870009 354945235 /nfs/dbraw/zinc/94/52/35/354945235.db2.gz SELZEFAQCQORKN-GFCCVEGCSA-N 0 3 307.350 1.090 20 5 DDBDHN COC(=O)c1ccnc(N[C@@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000590582631 355120179 /nfs/dbraw/zinc/12/01/79/355120179.db2.gz BAINTBFDLMFLAY-SNVBAGLBSA-N 0 3 308.338 1.671 20 5 DDBDHN O=C1C[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CN1C1CC1 ZINC000594500370 356238718 /nfs/dbraw/zinc/23/87/18/356238718.db2.gz RSXYFIHHIBNKHZ-QMTHXVAHSA-N 0 3 301.346 1.935 20 5 DDBDHN COCCC1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000594717714 356295442 /nfs/dbraw/zinc/29/54/42/356295442.db2.gz FIQQYTRVADHAHO-CQSZACIVSA-N 0 3 310.350 1.303 20 5 DDBDHN Cc1ccc([C@H](C)NC[C@@]2(OCCO)CCOC2)cc1[N+](=O)[O-] ZINC000595078282 356379194 /nfs/dbraw/zinc/37/91/94/356379194.db2.gz OLYZNZJLIJNNSY-BBRMVZONSA-N 0 3 324.377 1.722 20 5 DDBDHN O=C1CC[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595736439 356628512 /nfs/dbraw/zinc/62/85/12/356628512.db2.gz GOECIWRFBOWWRU-CHWSQXEVSA-N 0 3 319.361 1.574 20 5 DDBDHN N[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@H]1F ZINC000595905324 356699802 /nfs/dbraw/zinc/69/98/02/356699802.db2.gz BRCLYFBWWVYADL-MGPQQGTHSA-N 0 3 322.340 1.071 20 5 DDBDHN N[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@H]1F ZINC000595908162 356700517 /nfs/dbraw/zinc/70/05/17/356700517.db2.gz ZBTZCGVHXYVBID-VXGBXAGGSA-N 0 3 321.312 1.516 20 5 DDBDHN COc1cccc([N+](=O)[O-])c1NCCCN1CCC(O)CC1 ZINC000596088150 356768205 /nfs/dbraw/zinc/76/82/05/356768205.db2.gz YPQZQBSXLWLXST-UHFFFAOYSA-N 0 3 309.366 1.862 20 5 DDBDHN C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1C ZINC000596137025 356787341 /nfs/dbraw/zinc/78/73/41/356787341.db2.gz OCOUWMXJLSARGC-JQWIXIFHSA-N 0 3 306.366 1.613 20 5 DDBDHN Cc1n[nH]c(C(=O)N[C@H]2CCN(C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598221531 357497187 /nfs/dbraw/zinc/49/71/87/357497187.db2.gz XDGICIKCXTYRMR-NSHDSACASA-N 0 3 321.381 1.763 20 5 DDBDHN CCOc1ccc([C@@H](C)NC[C@H]2COCCN2C)cc1[N+](=O)[O-] ZINC000599080715 357808942 /nfs/dbraw/zinc/80/89/42/357808942.db2.gz QNDPCQBMRRAMLA-OCCSQVGLSA-N 0 3 323.393 1.975 20 5 DDBDHN C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[NH2+]1 ZINC000599105765 357817493 /nfs/dbraw/zinc/81/74/93/357817493.db2.gz QBKRMRVODVZMOU-YUMQZZPRSA-N 0 3 305.381 1.075 20 5 DDBDHN C[C@H](NCCNC(=O)c1ccn[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000180215066 199131526 /nfs/dbraw/zinc/13/15/26/199131526.db2.gz NSGOTGYFKYGGLE-JTQLQIEISA-N 0 3 303.322 1.399 20 5 DDBDHN CO[C@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000600761788 358310222 /nfs/dbraw/zinc/31/02/22/358310222.db2.gz SCOKKERVUUFVLT-UMSPYCQHSA-N 0 3 314.363 1.136 20 5 DDBDHN O=[N+]([O-])c1ccccc1/C=C\CNC1CN(c2ccncn2)C1 ZINC000601157705 358426119 /nfs/dbraw/zinc/42/61/19/358426119.db2.gz DPPJFBDVPJKYQW-HYXAFXHYSA-N 0 3 311.345 1.876 20 5 DDBDHN O=[N+]([O-])c1ccn(C[C@@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000601960891 358754062 /nfs/dbraw/zinc/75/40/62/358754062.db2.gz XIWVXXGUSVBSGZ-OAHLLOKOSA-N 0 3 302.334 1.428 20 5 DDBDHN Cc1noc(CN2CCCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000602848433 359235186 /nfs/dbraw/zinc/23/51/86/359235186.db2.gz NKYMXPVLCDNJEB-UHFFFAOYSA-N 0 3 317.349 1.999 20 5 DDBDHN CO[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@](C)(CO)C1 ZINC000602964442 359327933 /nfs/dbraw/zinc/32/79/33/359327933.db2.gz PNLVSYXNQSMROH-HZPDHXFCSA-N 0 3 324.377 1.835 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000186908766 200029679 /nfs/dbraw/zinc/02/96/79/200029679.db2.gz AGGVRCOBRWMDOF-DYEKYZERSA-N 0 3 310.350 1.037 20 5 DDBDHN Cc1nn(CCC(=O)N[C@H]2CCCN(C)C2)c(C)c1[N+](=O)[O-] ZINC000608839546 360249473 /nfs/dbraw/zinc/24/94/73/360249473.db2.gz GGCUTFNPQMTGBY-LBPRGKRZSA-N 0 3 309.370 1.009 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000609383034 360303241 /nfs/dbraw/zinc/30/32/41/360303241.db2.gz IKNJFHXSHAPXKU-GFCCVEGCSA-N 0 3 319.361 1.818 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H](CCO)C2)c1 ZINC000609204399 360273714 /nfs/dbraw/zinc/27/37/14/360273714.db2.gz MUQXDZKGYRNRMX-HIFRSBDPSA-N 0 3 324.377 1.429 20 5 DDBDHN CN1CC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000609521481 360317349 /nfs/dbraw/zinc/31/73/49/360317349.db2.gz ISYFKWKJANTGLN-VIFPVBQESA-N 0 3 307.306 1.005 20 5 DDBDHN CCCc1n[nH]c(C(=O)NCC2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000272017828 209386984 /nfs/dbraw/zinc/38/69/84/209386984.db2.gz UUABFDLTTZXYQJ-UHFFFAOYSA-N 0 3 307.354 1.262 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CCCC[NH3+])c1[N+](=O)[O-] ZINC000193316049 201028437 /nfs/dbraw/zinc/02/84/37/201028437.db2.gz UUNGRNHLXFOWJQ-UHFFFAOYSA-N 0 3 301.368 1.229 20 5 DDBDHN CCOC(=O)[C@@]1(C(C)C)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000194878150 201305537 /nfs/dbraw/zinc/30/55/37/201305537.db2.gz VJUFHNJMXCLMPI-HNNXBMFYSA-N 0 3 324.381 1.703 20 5 DDBDHN COc1cc(OCC(=O)N2CCN[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000262734375 203395092 /nfs/dbraw/zinc/39/50/92/203395092.db2.gz CCEHEYLHJOLBBZ-GHMZBOCLSA-N 0 3 323.349 1.191 20 5 DDBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000264670896 204066716 /nfs/dbraw/zinc/06/67/16/204066716.db2.gz JGUCPROXTSTKGH-GFCCVEGCSA-N 0 3 306.366 1.781 20 5 DDBDHN C[C@@H](NC[C@@H](O)COC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000271685683 209125606 /nfs/dbraw/zinc/12/56/06/209125606.db2.gz DIVNHBTUACFMHC-CHWSQXEVSA-N 0 3 324.377 1.802 20 5 DDBDHN C[C@@]1(CO)CCC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000351525463 284361891 /nfs/dbraw/zinc/36/18/91/284361891.db2.gz SKMZSYQXKOZZBE-HIFRSBDPSA-N 0 3 307.350 1.674 20 5 DDBDHN CCN1CCCC[C@@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000267514987 206119144 /nfs/dbraw/zinc/11/91/44/206119144.db2.gz JZQMYRUNRYZSAO-GFCCVEGCSA-N 0 3 306.366 1.980 20 5 DDBDHN C[C@@H]1CC[C@@H](O)CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000421021460 307300963 /nfs/dbraw/zinc/30/09/63/307300963.db2.gz OBYSYWSVYKWLTO-JHJVBQTASA-N 0 3 310.350 1.180 20 5 DDBDHN Cc1ccc([C@@H](C)NC[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000038083109 182987473 /nfs/dbraw/zinc/98/74/73/182987473.db2.gz PDSYHIRHRBFOFO-VXGBXAGGSA-N 0 3 312.391 1.989 20 5 DDBDHN C[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])CN(C)C ZINC000336848633 249254186 /nfs/dbraw/zinc/25/41/86/249254186.db2.gz LSGRAKIENYLLLL-JTQLQIEISA-N 0 3 315.395 1.608 20 5 DDBDHN CCN1CCCC[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000110993486 194379560 /nfs/dbraw/zinc/37/95/60/194379560.db2.gz MOQSWZAKBIBYSD-LBPRGKRZSA-N 0 3 323.397 1.517 20 5 DDBDHN C[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000057707198 184048361 /nfs/dbraw/zinc/04/83/61/184048361.db2.gz HQHWSDGEAUWCDK-LBPRGKRZSA-N 0 3 321.377 1.963 20 5 DDBDHN C[C@H](N)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269038290 207187023 /nfs/dbraw/zinc/18/70/23/207187023.db2.gz LCXVJXIWARBILK-ZETCQYMHSA-N 0 3 320.271 1.489 20 5 DDBDHN COc1cc(CN2CCN(CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000352405051 285028940 /nfs/dbraw/zinc/02/89/40/285028940.db2.gz KWUYUPHOAGQXLM-UHFFFAOYSA-N 0 3 323.393 1.492 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000119661137 195012456 /nfs/dbraw/zinc/01/24/56/195012456.db2.gz UPSUEYMETZPXJQ-SNVBAGLBSA-N 0 3 307.354 1.075 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@]2(CCOC2)C1 ZINC000451893737 285221256 /nfs/dbraw/zinc/22/12/56/285221256.db2.gz CEORIJNSUGDCLN-HNNXBMFYSA-N 0 3 307.350 1.259 20 5 DDBDHN C[C@H]1CSC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000352802353 285311531 /nfs/dbraw/zinc/31/15/31/285311531.db2.gz VSHSRXUZPXOAAN-GXFFZTMASA-N 0 3 321.402 1.825 20 5 DDBDHN COC[C@@]1(C(=O)OC)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000294939663 224325532 /nfs/dbraw/zinc/32/55/32/224325532.db2.gz CCWLTWPMDCNIPW-OAHLLOKOSA-N 0 3 308.334 1.606 20 5 DDBDHN CCN1CCN(CCNC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000123177031 195552847 /nfs/dbraw/zinc/55/28/47/195552847.db2.gz LUHHCMYETRFGTH-UHFFFAOYSA-N 0 3 320.393 1.271 20 5 DDBDHN CCCN1CCCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000114352109 407563948 /nfs/dbraw/zinc/56/39/48/407563948.db2.gz BGCHSGBIJSZRPK-UHFFFAOYSA-N 0 3 309.370 1.195 20 5 DDBDHN CC(C)[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000070447749 406817377 /nfs/dbraw/zinc/81/73/77/406817377.db2.gz MHSBUCLPBOJQJQ-VIFPVBQESA-N 0 3 321.786 1.510 20 5 DDBDHN COc1cc(C[NH2+]C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1[O-] ZINC000077465183 406992436 /nfs/dbraw/zinc/99/24/36/406992436.db2.gz RYFMMCVEFGZSMV-MFKMUULPSA-N 0 3 310.350 1.950 20 5 DDBDHN CC[C@H]1CCCCN1CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000122383761 407298974 /nfs/dbraw/zinc/29/89/74/407298974.db2.gz HLLLRBSUBOLHMP-NSHDSACASA-N 0 3 309.370 1.323 20 5 DDBDHN CCN(CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000122651244 407307224 /nfs/dbraw/zinc/30/72/24/407307224.db2.gz VBYACCRLNNNDDW-UHFFFAOYSA-N 0 3 321.424 1.585 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000108335416 407383788 /nfs/dbraw/zinc/38/37/88/407383788.db2.gz DXAOHONTHQNMBJ-NSHDSACASA-N 0 3 307.350 1.675 20 5 DDBDHN CN(CCn1cccn1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000111283781 407406291 /nfs/dbraw/zinc/40/62/91/407406291.db2.gz MEZJVBQOJXDIDU-AWEZNQCLSA-N 0 3 320.349 1.163 20 5 DDBDHN Cn1ccnc1[C@@H]1CNCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000261800507 407618539 /nfs/dbraw/zinc/61/85/39/407618539.db2.gz RKHJGQJDPRHJDD-AWEZNQCLSA-N 0 3 301.350 1.475 20 5 DDBDHN C[C@@H]1OCC[C@@]1(O)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000227977211 407641950 /nfs/dbraw/zinc/64/19/50/407641950.db2.gz JYKBOZVLCMESBX-TVQRCGJNSA-N 0 3 300.742 1.878 20 5 DDBDHN CN(C)[C@@]1(CNc2ccc([N+](=O)[O-])c3nonc32)CCSC1 ZINC000267075832 407739336 /nfs/dbraw/zinc/73/93/36/407739336.db2.gz JHORKDWKCNKEGE-CYBMUJFWSA-N 0 3 323.378 1.980 20 5 DDBDHN CN1CCC[C@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000171750435 407756959 /nfs/dbraw/zinc/75/69/59/407756959.db2.gz SRJIUVTUWHZDJJ-GFCCVEGCSA-N 0 3 306.366 1.736 20 5 DDBDHN C[C@@H](NC[C@H](O)COC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000180406976 407885772 /nfs/dbraw/zinc/88/57/72/407885772.db2.gz WNUGVRXXYDAIKT-DOMZBBRYSA-N 0 3 324.377 1.802 20 5 DDBDHN C[C@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)CS(C)(=O)=O ZINC000180438407 407887654 /nfs/dbraw/zinc/88/76/54/407887654.db2.gz CLCDQUCPVLTIQT-GHMZBOCLSA-N 0 3 300.380 1.926 20 5 DDBDHN CCN1CCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000118826623 407949572 /nfs/dbraw/zinc/94/95/72/407949572.db2.gz SJKMUHDUJNXTHX-ZDUSSCGKSA-N 0 3 320.393 1.949 20 5 DDBDHN C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1n1ccnc1 ZINC000245563806 408017173 /nfs/dbraw/zinc/01/71/73/408017173.db2.gz DBNCRLPUSOSBBL-QWHCGFSZSA-N 0 3 304.354 1.571 20 5 DDBDHN COCC(C)(C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000154863710 408097672 /nfs/dbraw/zinc/09/76/72/408097672.db2.gz TXTODVIEKUECKQ-UHFFFAOYSA-N 0 3 307.350 1.499 20 5 DDBDHN CCN(CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C1CC1 ZINC000263731979 408230177 /nfs/dbraw/zinc/23/01/77/408230177.db2.gz CPPFYGBOYOYRAS-UHFFFAOYSA-N 0 3 323.397 1.399 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N(C)C[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000269394925 408293871 /nfs/dbraw/zinc/29/38/71/408293871.db2.gz MRUDOKGZYJESRZ-LLVKDONJSA-N 0 3 323.397 1.855 20 5 DDBDHN CN1CC[C@@H](Cn2nnnc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000131974671 162026805 /nfs/dbraw/zinc/02/68/05/162026805.db2.gz UTDVNQBNUFUOOJ-SNVBAGLBSA-N 0 3 320.378 1.684 20 5 DDBDHN Cc1c(C(=O)N(C)CCN(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000176379129 408351862 /nfs/dbraw/zinc/35/18/62/408351862.db2.gz HTLJVTVYZYOLCC-UHFFFAOYSA-N 0 3 310.310 1.445 20 5 DDBDHN CN(C[C@@H]1CCOC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000246892724 408361604 /nfs/dbraw/zinc/36/16/04/408361604.db2.gz FHUVDBOOGVKANM-WFASDCNBSA-N 0 3 319.361 1.668 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000171445857 162219327 /nfs/dbraw/zinc/21/93/27/162219327.db2.gz BISQTLQXYWQXFD-LBPRGKRZSA-N 0 3 304.350 1.609 20 5 DDBDHN CC[C@H](NCCC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000159251744 408393021 /nfs/dbraw/zinc/39/30/21/408393021.db2.gz XEIOYVODWLTCNO-HNNXBMFYSA-N 0 3 321.377 1.884 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000247229784 408433413 /nfs/dbraw/zinc/43/34/13/408433413.db2.gz CYWCVXRBMAGIBZ-DGCLKSJQSA-N 0 3 323.397 1.288 20 5 DDBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000191540141 408441962 /nfs/dbraw/zinc/44/19/62/408441962.db2.gz GFPXQLBUJHWENA-GFCCVEGCSA-N 0 3 306.366 1.781 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCN2CCC(C)CC2)n1 ZINC000191772500 408488468 /nfs/dbraw/zinc/48/84/68/408488468.db2.gz YUYWICWGRVSJEH-UHFFFAOYSA-N 0 3 309.370 1.273 20 5 DDBDHN CN1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@@H]1c1ccccc1 ZINC000270338985 408493553 /nfs/dbraw/zinc/49/35/53/408493553.db2.gz ZBGUPNRJIBOLBA-YPMHNXCESA-N 0 3 314.349 1.824 20 5 DDBDHN CCN1CCN(C[C@H](C)CNc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265188574 408573962 /nfs/dbraw/zinc/57/39/62/408573962.db2.gz KFGYOVYWWKQZHJ-CYBMUJFWSA-N 0 3 321.425 1.984 20 5 DDBDHN COc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000248882296 408654351 /nfs/dbraw/zinc/65/43/51/408654351.db2.gz SOANGTIDZKNTBO-NEPJUHHUSA-N 0 3 319.361 1.912 20 5 DDBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000163658216 408785534 /nfs/dbraw/zinc/78/55/34/408785534.db2.gz HEQZTKKFBGNFQS-WDEREUQCSA-N 0 3 309.370 1.179 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCN(C3CCCCC3)CC2)n1 ZINC000163129933 408760910 /nfs/dbraw/zinc/76/09/10/408760910.db2.gz HUUFLHJOQOFFJY-UHFFFAOYSA-N 0 3 307.398 1.742 20 5 DDBDHN Cc1c(CN2CCN(C[C@@H](C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000189572424 163106111 /nfs/dbraw/zinc/10/61/11/163106111.db2.gz FNXHOTOTDUYEIS-QWHCGFSZSA-N 0 3 307.394 1.790 20 5 DDBDHN CO[C@@]1(C)CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000279313539 409189637 /nfs/dbraw/zinc/18/96/37/409189637.db2.gz NKOZJWBPKPHLMS-ZBFHGGJFSA-N 0 3 324.377 1.835 20 5 DDBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CCN(C2CC2)C1 ZINC000295065030 409312202 /nfs/dbraw/zinc/31/22/02/409312202.db2.gz ZMCNUDVDDFHBEJ-SNVBAGLBSA-N 0 3 319.365 1.009 20 5 DDBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(C)CO ZINC000295241767 409392925 /nfs/dbraw/zinc/39/29/25/409392925.db2.gz PKMZTDOWVRGMSS-GFCCVEGCSA-N 0 3 312.366 1.285 20 5 DDBDHN C[C@@H]1[C@H](O)CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000296447471 409562463 /nfs/dbraw/zinc/56/24/63/409562463.db2.gz WWRDHFHUEVHINU-UXIGCNINSA-N 0 3 310.350 1.180 20 5 DDBDHN COc1ccc(NC(=O)CCN2C[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000351826456 410267509 /nfs/dbraw/zinc/26/75/09/410267509.db2.gz KBFVHADWRBKBPM-HZMBPMFUSA-N 0 3 323.349 1.245 20 5 DDBDHN C[C@@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000357850352 410294016 /nfs/dbraw/zinc/29/40/16/410294016.db2.gz NBNPHPLHFZQYOX-WDEREUQCSA-N 0 3 322.365 1.378 20 5 DDBDHN Cc1ccc(NC(=O)C(=O)NCC(C)(C)N(C)C)cc1[N+](=O)[O-] ZINC000298608895 410312589 /nfs/dbraw/zinc/31/25/89/410312589.db2.gz PRMRXDCKGJCHQE-UHFFFAOYSA-N 0 3 322.365 1.298 20 5 DDBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000343621193 410577721 /nfs/dbraw/zinc/57/77/21/410577721.db2.gz HGEVEXOJJMCNAL-RYUDHWBXSA-N 0 3 318.377 1.757 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H]1CCOC1 ZINC000299246229 410580501 /nfs/dbraw/zinc/58/05/01/410580501.db2.gz KLLWCTKJRBVDIQ-LBPRGKRZSA-N 0 3 323.349 1.653 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCCN1C ZINC000355924337 410734638 /nfs/dbraw/zinc/73/46/38/410734638.db2.gz ZBDOFTHHXBSYOZ-BXKDBHETSA-N 0 3 317.349 1.684 20 5 DDBDHN NC(C(=O)NCCNc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000353156156 410815192 /nfs/dbraw/zinc/81/51/92/410815192.db2.gz VDCBWGHNTGRBJO-VIFPVBQESA-N 0 3 306.244 1.013 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000347943965 410806614 /nfs/dbraw/zinc/80/66/14/410806614.db2.gz IXYKFBCDBQMZTD-ZDUSSCGKSA-N 0 3 321.381 1.042 20 5 DDBDHN C[C@H]1CCN(C)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341242898 410961152 /nfs/dbraw/zinc/96/11/52/410961152.db2.gz XMZCJYDKTSSBKO-ZDUSSCGKSA-N 0 3 320.393 1.873 20 5 DDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000356477868 411049800 /nfs/dbraw/zinc/04/98/00/411049800.db2.gz LJCIRFDFRWCVJS-GFCCVEGCSA-N 0 3 321.381 1.419 20 5 DDBDHN C[C@@H]1C[C@H]1N1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H](C)C1 ZINC000488756843 416562031 /nfs/dbraw/zinc/56/20/31/416562031.db2.gz WXUHWAPJSSCJHP-HBNTYKKESA-N 0 3 306.370 1.134 20 5 DDBDHN O=C1NC(=O)[C@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000366571586 418492185 /nfs/dbraw/zinc/49/21/85/418492185.db2.gz XVCOUZARXKHXIS-CDBNLRSOSA-N 0 3 315.329 1.203 20 5 DDBDHN N=C(NO)[C@@H]1CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000374176765 418500733 /nfs/dbraw/zinc/50/07/33/418500733.db2.gz RZHFHAHKUNFHEC-NSHDSACASA-N 0 3 321.337 1.004 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(CC)C[C@@H]2C)n1 ZINC000191633056 222106538 /nfs/dbraw/zinc/10/65/38/222106538.db2.gz YSHDXJJSJXCBME-RYUDHWBXSA-N 0 3 323.397 1.614 20 5 DDBDHN COCCN(C)C[C@@H](O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000386741907 418740949 /nfs/dbraw/zinc/74/09/49/418740949.db2.gz XUPHWKGYNWYNRS-LLVKDONJSA-N 0 3 318.757 1.566 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1NC[C@@H]1CN3CCC[C@@H]3CO1)CCN2 ZINC000365542875 418872931 /nfs/dbraw/zinc/87/29/31/418872931.db2.gz CBCZIJHOAXOHMA-VXGBXAGGSA-N 0 3 318.377 1.838 20 5 DDBDHN CN1CCC2(CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000372837912 418907845 /nfs/dbraw/zinc/90/78/45/418907845.db2.gz LAXDVHWRSNUMAM-UHFFFAOYSA-N 0 3 304.350 1.690 20 5 DDBDHN C[C@@H]1C[C@H](CO)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000420929419 419361978 /nfs/dbraw/zinc/36/19/78/419361978.db2.gz BJNRJJAFFNBGPT-RDBSUJKOSA-N 0 3 324.377 1.285 20 5 DDBDHN CC(C)[C@@](C)(NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000411726541 419391371 /nfs/dbraw/zinc/39/13/71/419391371.db2.gz LFRCSWLQUBKBRC-OAHLLOKOSA-N 0 3 322.365 1.413 20 5 DDBDHN CC(=O)N[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000420990899 419428155 /nfs/dbraw/zinc/42/81/55/419428155.db2.gz VHKSAUJAGDGPQO-CYBMUJFWSA-N 0 3 320.349 1.134 20 5 DDBDHN CO[C@](C)([C@@H](C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000411961723 419521409 /nfs/dbraw/zinc/52/14/09/419521409.db2.gz ARYAVSIGVZATJT-QLJPJBMISA-N 0 3 321.377 1.987 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)n1 ZINC000427456349 419662489 /nfs/dbraw/zinc/66/24/89/419662489.db2.gz GTSCMVARJSTVEC-TXEJJXNPSA-N 0 3 323.397 1.804 20 5 DDBDHN Cc1nn(CCC(=O)N(C)C[C@@H]2CCCN2C)c(C)c1[N+](=O)[O-] ZINC000421705521 419689650 /nfs/dbraw/zinc/68/96/50/419689650.db2.gz RMSZUXAVNIRYFN-ZDUSSCGKSA-N 0 3 323.397 1.351 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN1CCCC[C@H]1C ZINC000299504316 229162690 /nfs/dbraw/zinc/16/26/90/229162690.db2.gz LMZDZFUBGKDLBD-GFCCVEGCSA-N 0 3 323.397 1.480 20 5 DDBDHN Cc1n[nH]c(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299529274 229184563 /nfs/dbraw/zinc/18/45/63/229184563.db2.gz LJMHPMTVSDYRGR-NXEZZACHSA-N 0 3 309.370 1.477 20 5 DDBDHN NC(C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000423851417 420226453 /nfs/dbraw/zinc/22/64/53/420226453.db2.gz SBPUAERVWMOGOU-MRVPVSSYSA-N 0 3 311.647 1.754 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420454699 420298045 /nfs/dbraw/zinc/29/80/45/420298045.db2.gz WOLPCOCQUGDIJG-MNOVXSKESA-N 0 3 313.379 1.309 20 5 DDBDHN Cc1n[nH]c(C(=O)NC[C@@H]2CCCCN2CC(C)C)c1[N+](=O)[O-] ZINC000439696151 420531609 /nfs/dbraw/zinc/53/16/09/420531609.db2.gz MVLMLJCUSXGIHU-LBPRGKRZSA-N 0 3 323.397 1.867 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N(C)[C@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000457080880 420605032 /nfs/dbraw/zinc/60/50/32/420605032.db2.gz CMKPQCUFLJPDFI-NSHDSACASA-N 0 3 323.397 1.996 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCC[C@]1(C)CO ZINC000492892906 420701041 /nfs/dbraw/zinc/70/10/41/420701041.db2.gz PHNPNZBDXRMFSQ-XJKSGUPXSA-N 0 3 321.377 1.982 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459657321 420841677 /nfs/dbraw/zinc/84/16/77/420841677.db2.gz FQDQOCPPLVNBHD-ZIAGYGMSSA-N 0 3 319.361 1.257 20 5 DDBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000479532347 420980895 /nfs/dbraw/zinc/98/08/95/420980895.db2.gz NHBPIMQDGNFRNL-NSHDSACASA-N 0 3 308.382 1.736 20 5 DDBDHN CC(COC(=O)[C@H](C)NC(=O)OCc1ccccc1)[N+](=O)[O-] ZINC000495904102 421088972 /nfs/dbraw/zinc/08/89/72/421088972.db2.gz NWYJQRLCSHGKRI-QWRGUYRKSA-N 0 3 310.306 1.510 20 5 DDBDHN COc1cc(CN[C@@H]2CCC[C@@H]2CO)c([N+](=O)[O-])cc1OC ZINC000449707465 421065659 /nfs/dbraw/zinc/06/56/59/421065659.db2.gz QZBZIBNSVCBIGC-ZYHUDNBSSA-N 0 3 310.350 1.863 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](CO)CN1CCCCC1 ZINC000450516073 421205876 /nfs/dbraw/zinc/20/58/76/421205876.db2.gz ANSKATPTJSSWSV-GFCCVEGCSA-N 0 3 311.386 1.378 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2coc3ccccc23)c1 ZINC000563531098 421518710 /nfs/dbraw/zinc/51/87/10/421518710.db2.gz ZYEUQLLAYBEAQN-ZDUSSCGKSA-N 0 3 316.317 1.688 20 5 DDBDHN CN(C[C@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000515017674 421472726 /nfs/dbraw/zinc/47/27/26/421472726.db2.gz CUIHFXCNWDGCTE-AWEZNQCLSA-N 0 3 305.378 1.408 20 5 DDBDHN CN(C(=O)CN[C@@H]1C[C@@H](O)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000570525068 421651176 /nfs/dbraw/zinc/65/11/76/421651176.db2.gz GSFCHURPCLXOIW-CHWSQXEVSA-N 0 3 307.350 1.307 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600271913 422409728 /nfs/dbraw/zinc/40/97/28/422409728.db2.gz JZBAJWASLKPXID-SECBINFHSA-N 0 3 307.306 1.148 20 5 DDBDHN COC(=O)CN(C)C(=O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341590218 271130762 /nfs/dbraw/zinc/13/07/62/271130762.db2.gz UUAVADFLCQHBQT-NSHDSACASA-N 0 3 323.349 1.267 20 5 DDBDHN C[C@@H](CCC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000313674136 274208367 /nfs/dbraw/zinc/20/83/67/274208367.db2.gz NWDWQZMGTLAAOZ-QMMMGPOBSA-N 0 3 321.786 1.654 20 5 DDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000286647695 274438615 /nfs/dbraw/zinc/43/86/15/274438615.db2.gz BOHVDUBEHJGORS-IAQYHMDHSA-N 0 3 318.377 1.876 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN(C2CCOCC2)CC1 ZINC000176742076 274724354 /nfs/dbraw/zinc/72/43/54/274724354.db2.gz ZKKYOCFRHCXCFQ-UHFFFAOYSA-N 0 3 306.366 1.599 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266693386 277080057 /nfs/dbraw/zinc/08/00/57/277080057.db2.gz FIZNFKSRMGEBJX-ZDUSSCGKSA-N 0 3 306.366 1.531 20 5 DDBDHN CN(CCN1CCCC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000089899688 281027678 /nfs/dbraw/zinc/02/76/78/281027678.db2.gz JPWTYQAVBAATLH-UHFFFAOYSA-N 0 3 306.366 1.561 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)CN1CCCCC1 ZINC000126192418 281230006 /nfs/dbraw/zinc/23/00/06/281230006.db2.gz IDYBZAXHVDHXGW-LBPRGKRZSA-N 0 3 323.397 1.480 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@@H]21 ZINC000362279587 300042867 /nfs/dbraw/zinc/04/28/67/300042867.db2.gz HQQQUWXEYODFOY-RNCFNFMXSA-N 0 3 322.340 1.482 20 5 DDBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000362659117 300111556 /nfs/dbraw/zinc/11/15/56/300111556.db2.gz UVQJIEWVWTXZFE-LLVKDONJSA-N 0 3 309.370 1.018 20 5 DDBDHN C[C@@H](CN1CCOCC1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019288 301120113 /nfs/dbraw/zinc/12/01/13/301120113.db2.gz XLGWVRMUWQDWJT-UONOGXRCSA-N 0 3 323.397 1.149 20 5 DDBDHN CN1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000378310172 302310393 /nfs/dbraw/zinc/31/03/93/302310393.db2.gz UHKFMKLURDJEOO-RYUDHWBXSA-N 0 3 315.333 1.146 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000520778125 302867320 /nfs/dbraw/zinc/86/73/20/302867320.db2.gz ZFDPPBAMEGXEJA-GFCCVEGCSA-N 0 3 306.366 1.634 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(C(F)F)CC2)c1 ZINC000361694738 307003270 /nfs/dbraw/zinc/00/32/70/307003270.db2.gz ZMGHIHTWWJREFQ-NSHDSACASA-N 0 3 304.297 1.129 20 5 DDBDHN Cc1ccn(C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000366111456 307067806 /nfs/dbraw/zinc/06/78/06/307067806.db2.gz YIHITZSIWRJUEP-UHFFFAOYSA-N 0 3 304.354 1.633 20 5 DDBDHN Cn1nccc1CCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367251989 307089883 /nfs/dbraw/zinc/08/98/83/307089883.db2.gz KGQMPTCMFRULJQ-ZDUSSCGKSA-N 0 3 304.354 1.404 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@](O)(C3CC3)C2)c1 ZINC000373907797 307198020 /nfs/dbraw/zinc/19/80/20/307198020.db2.gz GQMQEIDHNYGMMN-GDBMZVCRSA-N 0 3 322.361 1.181 20 5 DDBDHN CN1CCC(N2CC[C@H](Nc3ncc([N+](=O)[O-])s3)C2)CC1 ZINC000374422490 307208178 /nfs/dbraw/zinc/20/81/78/307208178.db2.gz KDFYPZOKTPIHFU-JTQLQIEISA-N 0 3 311.411 1.632 20 5 DDBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000376448422 307244188 /nfs/dbraw/zinc/24/41/88/307244188.db2.gz MUSKBWKDLBWMHO-WCQYABFASA-N 0 3 318.377 1.876 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@@H](O)C[C@@H]3CO)o2)cc1 ZINC000376897807 307258334 /nfs/dbraw/zinc/25/83/34/307258334.db2.gz STXIZYIYLVVILL-KGLIPLIRSA-N 0 3 318.329 1.782 20 5 DDBDHN COc1ccc(CC(=O)N2CCN[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000567915694 308099543 /nfs/dbraw/zinc/09/95/43/308099543.db2.gz DOTVVMYDAKMFKQ-MNOVXSKESA-N 0 3 307.350 1.355 20 5 DDBDHN O=C([C@H]1CCCCN1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000570633163 308174100 /nfs/dbraw/zinc/17/41/00/308174100.db2.gz GRNBNPDVNWBVER-GFCCVEGCSA-N 0 3 307.354 1.097 20 5 DDBDHN Cc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1Cl ZINC000578880575 308491951 /nfs/dbraw/zinc/49/19/51/308491951.db2.gz GXVREFBDOAPILS-CYBMUJFWSA-N 0 3 324.768 1.904 20 5 DDBDHN CNc1c(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000360954387 500785901 /nfs/dbraw/zinc/78/59/01/500785901.db2.gz MMZGEIXVVCUSKK-WDEREUQCSA-N 0 3 318.377 1.992 20 5 DDBDHN C[C@H](NCC1(CO)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294681481 533834149 /nfs/dbraw/zinc/83/41/49/533834149.db2.gz IEDWPIIYRWQYRB-NSHDSACASA-N 0 3 309.366 1.617 20 5 DDBDHN C[C@@H]1OCC[C@@]1(C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000494281623 534186370 /nfs/dbraw/zinc/18/63/70/534186370.db2.gz GMFVBMFRWSYBIV-MEDUHNTESA-N 0 3 319.361 1.641 20 5 DDBDHN O=C(N[C@@H]1CCCN(C2CCCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000154597613 526891851 /nfs/dbraw/zinc/89/18/51/526891851.db2.gz IDWQGOLMSMBWTE-LLVKDONJSA-N 0 3 321.381 1.845 20 5 DDBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000451783893 527853935 /nfs/dbraw/zinc/85/39/35/527853935.db2.gz NALRXQBTJHPFHP-OLZOCXBDSA-N 0 3 323.349 1.078 20 5 DDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1[NH+](C)C ZINC000820774423 606803779 /nfs/dbraw/zinc/80/37/79/606803779.db2.gz CMGXGCBXXNLHJA-RNCFNFMXSA-N 0 3 317.353 1.161 20 5 DDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1[NH+](C)C ZINC000820774423 606803781 /nfs/dbraw/zinc/80/37/81/606803781.db2.gz CMGXGCBXXNLHJA-RNCFNFMXSA-N 0 3 317.353 1.161 20 5 DDBDHN COc1ccccc1OCCN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000157742441 696981059 /nfs/dbraw/zinc/98/10/59/696981059.db2.gz QBIVRAIMCXIKFF-UHFFFAOYSA-N 0 3 320.349 1.811 20 5 DDBDHN O=[N+]([O-])c1ccc(F)cc1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000178489978 697425283 /nfs/dbraw/zinc/42/52/83/697425283.db2.gz SZIBTDYXUQLRIK-ZDUSSCGKSA-N 0 3 323.368 1.888 20 5 DDBDHN CN1CCN(C)[C@@H](CNCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783628726 698861676 /nfs/dbraw/zinc/86/16/76/698861676.db2.gz LSDHOPSENFJARQ-LBPRGKRZSA-N 0 3 312.801 1.584 20 5 DDBDHN CN(C)c1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000756026410 700599419 /nfs/dbraw/zinc/59/94/19/700599419.db2.gz WSMHMOCFYVHZNQ-HNNXBMFYSA-N 0 3 316.361 1.879 20 5 DDBDHN O=C(CN[C@@H](CO)C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000763070405 700923960 /nfs/dbraw/zinc/92/39/60/700923960.db2.gz PLZFDMNULXGPHM-NSHDSACASA-N 0 3 313.741 1.547 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2[C@@H](O)c2ccccc2)n1 ZINC000879244225 706627211 /nfs/dbraw/zinc/62/72/11/706627211.db2.gz PHSWNPLSDZTMLH-HOCLYGCPSA-N 0 3 316.361 1.989 20 5 DDBDHN CN1CCN(C2CCN(c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000866214024 706650790 /nfs/dbraw/zinc/65/07/90/706650790.db2.gz GQGJOXSOVJIAAG-UHFFFAOYSA-N 0 3 310.423 1.873 20 5 DDBDHN CC(COC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)[N+](=O)[O-] ZINC000813103399 702292093 /nfs/dbraw/zinc/29/20/93/702292093.db2.gz PTTIWIMJWCXTQH-GWCFXTLKSA-N 0 3 322.317 1.626 20 5 DDBDHN CC(=O)N[C@H](CC(=O)OCC(C)[N+](=O)[O-])c1ccc(C)cc1 ZINC000813108430 702295367 /nfs/dbraw/zinc/29/53/67/702295367.db2.gz FTTZVNQVEOIMRM-SMDDNHRTSA-N 0 3 308.334 1.771 20 5 DDBDHN COc1ccccc1-c1nn(C)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112338 702298456 /nfs/dbraw/zinc/29/84/56/702298456.db2.gz FRSDZFAYIHUUJZ-JTQLQIEISA-N 0 3 319.317 1.918 20 5 DDBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@H](CO)c1cnn(C)c1 ZINC000866310963 706670621 /nfs/dbraw/zinc/67/06/21/706670621.db2.gz HPIAFCDOPFTEGC-IINYFYTJSA-N 0 3 322.340 1.722 20 5 DDBDHN COc1cccc([N+](=O)[O-])c1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000848659580 703572902 /nfs/dbraw/zinc/57/29/02/703572902.db2.gz MPSLQAVJWCFHTJ-NEPJUHHUSA-N 0 3 307.350 1.879 20 5 DDBDHN CC[C@H](C(=O)OCC(C)[N+](=O)[O-])N(C)C(=O)OC(C)(C)C ZINC000851037035 703774857 /nfs/dbraw/zinc/77/48/57/703774857.db2.gz PRJUELBHVOTJTF-VHSXEESVSA-N 0 3 304.343 1.840 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CCN(C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871154820 704232679 /nfs/dbraw/zinc/23/26/79/704232679.db2.gz KHZYTSGFITUGBE-UHFFFAOYSA-N 0 3 323.397 1.998 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CCN(C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871154820 704232692 /nfs/dbraw/zinc/23/26/92/704232692.db2.gz KHZYTSGFITUGBE-UHFFFAOYSA-N 0 3 323.397 1.998 20 5 DDBDHN CCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000855360251 704480692 /nfs/dbraw/zinc/48/06/92/704480692.db2.gz DFCZGCNYHHGSFU-KGLIPLIRSA-N 0 3 307.350 1.181 20 5 DDBDHN CC(COC(=O)c1ccnn1CCc1ccccc1)[N+](=O)[O-] ZINC000857030156 704548182 /nfs/dbraw/zinc/54/81/82/704548182.db2.gz VCNYZZFJXBULJY-LBPRGKRZSA-N 0 3 303.318 1.948 20 5 DDBDHN Cc1ccc(N2CC(CN3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000858612198 704734395 /nfs/dbraw/zinc/73/43/95/704734395.db2.gz ZHMFJUFCKHETKJ-UHFFFAOYSA-N 0 3 304.394 1.587 20 5 DDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000874850677 705203507 /nfs/dbraw/zinc/20/35/07/705203507.db2.gz VUUDOEHAABRUPN-CABCVRRESA-N 0 3 303.362 1.832 20 5 DDBDHN CC([C@@H](OC(=O)[C@@H]1COC(=O)N1)c1ccccc1F)[N+](=O)[O-] ZINC000860854675 705301270 /nfs/dbraw/zinc/30/12/70/705301270.db2.gz GAYPFJLYRDRTAF-PPKCKEKNSA-N 0 3 312.253 1.184 20 5 DDBDHN C[C@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000823968691 705347014 /nfs/dbraw/zinc/34/70/14/705347014.db2.gz YILNUUOTXZECBL-JTQLQIEISA-N 0 3 319.365 1.949 20 5 DDBDHN CCCN(CCN(C)C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825720475 705721655 /nfs/dbraw/zinc/72/16/55/705721655.db2.gz FMPDJVRWBDTTKF-CQSZACIVSA-N 0 3 309.366 1.428 20 5 DDBDHN CC[C@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000829243268 706308086 /nfs/dbraw/zinc/30/80/86/706308086.db2.gz AEMJWUXICUFJFM-LBPRGKRZSA-N 0 3 320.393 1.875 20 5 DDBDHN COCCN1CC[C@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865526845 706455207 /nfs/dbraw/zinc/45/52/07/706455207.db2.gz XBCURQBUPLKVAR-NSHDSACASA-N 0 3 313.329 1.359 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCN2CCC(CO)(CO)CC2)cc1 ZINC000879968399 706838398 /nfs/dbraw/zinc/83/83/98/706838398.db2.gz NWVVRGQGVBRCPS-UHFFFAOYSA-N 0 3 310.350 1.040 20 5 DDBDHN CC(=O)N1C[C@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000880311479 706937561 /nfs/dbraw/zinc/93/75/61/706937561.db2.gz IDPVNZGVHSDACN-LZWOXQAQSA-N 0 3 319.361 1.038 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](c3nccs3)C2)c1 ZINC000880318447 706939506 /nfs/dbraw/zinc/93/95/06/706939506.db2.gz ZEQFUSSTOJCZJY-ZYHUDNBSSA-N 0 3 323.378 1.098 20 5 DDBDHN Cc1ccc(CNC[C@H](O)C[C@@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000872231534 707340297 /nfs/dbraw/zinc/34/02/97/707340297.db2.gz MKLLOCLYPHDGLS-GDBMZVCRSA-N 0 3 308.378 1.905 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2cnn(CN3C[C@@H]4COC[C@@H]4C3)c2)cc1 ZINC000872785308 707600322 /nfs/dbraw/zinc/60/03/22/707600322.db2.gz OXBQGHPVWOVPRJ-GASCZTMLSA-N 0 3 314.345 1.994 20 5 DDBDHN COCC[C@@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000884307043 708236083 /nfs/dbraw/zinc/23/60/83/708236083.db2.gz WNSHZANXZUHUQW-CQSZACIVSA-N 0 3 307.350 1.450 20 5 DDBDHN Nc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCCN3CCO)c1 ZINC000897221126 708259246 /nfs/dbraw/zinc/25/92/46/708259246.db2.gz HMEGXJYBBURCKT-STQMWFEESA-N 0 3 306.366 1.212 20 5 DDBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCC2)C1 ZINC000912928338 713127162 /nfs/dbraw/zinc/12/71/62/713127162.db2.gz IIFBIAIOLSQEMJ-NFBGWVBBSA-N 0 3 301.346 1.915 20 5 DDBDHN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCCN1CC[C@H](O)C1 ZINC000894833672 711289484 /nfs/dbraw/zinc/28/94/84/711289484.db2.gz XBPKKMKVJNQPOZ-NSHDSACASA-N 0 3 320.324 1.183 20 5 DDBDHN COc1ccc(CNC(=O)N[C@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000914300033 713373121 /nfs/dbraw/zinc/37/31/21/713373121.db2.gz HTEHOWVAIWSVAU-PWSUYJOCSA-N 0 3 322.365 1.495 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1COC[C@H]1C1CC1)OCCO2 ZINC000914433377 713395241 /nfs/dbraw/zinc/39/52/41/713395241.db2.gz OKWNYJZTDFRPHZ-STQMWFEESA-N 0 3 320.345 1.881 20 5 DDBDHN CN1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000932069678 714251853 /nfs/dbraw/zinc/25/18/53/714251853.db2.gz FLGPCAXAEUGFFU-NWANDNLSSA-N 0 3 303.362 1.909 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000925317515 714806871 /nfs/dbraw/zinc/80/68/71/714806871.db2.gz MCKAOCIKYMURRK-AAEUAGOBSA-N 0 3 306.366 1.829 20 5 DDBDHN Cc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)ncn1 ZINC001125762295 735538827 /nfs/dbraw/zinc/53/88/27/735538827.db2.gz QOOFSZVEKICLQX-UHFFFAOYSA-N 0 3 315.333 1.213 20 5 DDBDHN COc1c([O-])ccc(C[NH2+][C@H]2CCn3ccnc3C2)c1[N+](=O)[O-] ZINC001181054035 743037452 /nfs/dbraw/zinc/03/74/52/743037452.db2.gz DWXVUIWBILJFLV-NSHDSACASA-N 0 3 318.333 1.610 20 5 DDBDHN Cc1nc(CC2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)no1 ZINC001197999850 747330547 /nfs/dbraw/zinc/33/05/47/747330547.db2.gz BWSKNTOJLBMYGS-UHFFFAOYSA-N 0 3 320.353 1.437 20 5 DDBDHN Cc1cc(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)no1 ZINC001124999601 748767665 /nfs/dbraw/zinc/76/76/65/748767665.db2.gz VUWIFHLPSBAQCR-UHFFFAOYSA-N 0 3 318.333 1.340 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1ncccn1 ZINC001168950741 762139394 /nfs/dbraw/zinc/13/93/94/762139394.db2.gz WJYKRYQGILPNQN-UHFFFAOYSA-N 0 3 315.333 1.295 20 5 DDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2cc(Br)no2)C1 ZINC001168968350 762158387 /nfs/dbraw/zinc/15/83/87/762158387.db2.gz XXMMJJLCUPAXQR-JGVFFNPUSA-N 0 3 304.144 1.972 20 5 DDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2ccn(CC(F)(F)F)n2)C1 ZINC001168997520 762169843 /nfs/dbraw/zinc/16/98/43/762169843.db2.gz CVQWEQHSABONMZ-ZJUUUORDSA-N 0 3 306.288 1.980 20 5 DDBDHN COc1cccnc1N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169040192 762194661 /nfs/dbraw/zinc/19/46/61/762194661.db2.gz YPIAALPEGWSNQR-UONOGXRCSA-N 0 3 320.393 1.658 20 5 DDBDHN COC(=O)c1c(C)c([N+](=O)[O-])ccc1-n1ccc([C@@H](C)N)n1 ZINC001169235579 762289870 /nfs/dbraw/zinc/28/98/70/762289870.db2.gz XJFWXSAYNYRKHW-SECBINFHSA-N 0 3 304.306 1.895 20 5 DDBDHN C[C@@H](N)c1ccn(-c2nccc(Br)c2[N+](=O)[O-])n1 ZINC001169234375 762293990 /nfs/dbraw/zinc/29/39/90/762293990.db2.gz ICNLQWHUHMFKER-ZCFIWIBFSA-N 0 3 312.127 1.958 20 5 DDBDHN C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@H]1CNCCO1 ZINC001170566131 768167021 /nfs/dbraw/zinc/16/70/21/768167021.db2.gz DRSKMFUZQWPUNG-MEBBXXQBSA-N 0 3 302.334 1.932 20 5 DDBDHN CC(=O)Nc1ccc(N[C@@H](C)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170576392 768252387 /nfs/dbraw/zinc/25/23/87/768252387.db2.gz ZXYVDYQBMJYEGC-LKFCYVNXSA-N 0 3 308.338 1.342 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(NCCNC(=O)CN(C)C(C)C)c1 ZINC001093674072 774989354 /nfs/dbraw/zinc/98/93/54/774989354.db2.gz NAOVUUNCPMRPGH-UHFFFAOYSA-N 0 3 308.382 1.772 20 5 DDBDHN CCN1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001178861626 779214589 /nfs/dbraw/zinc/21/45/89/779214589.db2.gz ZTUYTTYAVOLZMJ-AWEZNQCLSA-N 0 3 321.377 1.820 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001117779029 780899463 /nfs/dbraw/zinc/89/94/63/780899463.db2.gz DOLLWPRZDBVBJH-IINYFYTJSA-N 0 3 304.350 1.413 20 5 DDBDHN Cc1nonc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001267143678 837411152 /nfs/dbraw/zinc/41/11/52/837411152.db2.gz NPAGRUPGPLKHKM-UHFFFAOYSA-N 0 3 319.321 1.148 20 5 DDBDHN CCOC(=O)[C@@H]1CNCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC001326223373 861208336 /nfs/dbraw/zinc/20/83/36/861208336.db2.gz ZTALVYLDPORSDJ-ZKKXHLJNSA-N 0 3 319.361 1.445 20 5 DDBDHN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@H](C)CN1 ZINC001121931901 858638521 /nfs/dbraw/zinc/63/85/21/858638521.db2.gz TVHKSQRTXKKURK-HKCMKHECSA-N 0 3 303.362 1.907 20 5 DDBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001122179332 858705206 /nfs/dbraw/zinc/70/52/06/858705206.db2.gz DAABOGCNVQUXJI-SDDRHHMPSA-N 0 3 307.350 1.571 20 5 DDBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC001122264873 858730018 /nfs/dbraw/zinc/73/00/18/858730018.db2.gz YEIVEBPUKOIWMF-WOPDTQHZSA-N 0 3 307.350 1.571 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001122578605 858897594 /nfs/dbraw/zinc/89/75/94/858897594.db2.gz DKXBKCBYYYMGCU-UHFFFAOYSA-N 0 3 300.318 1.509 20 5 DDBDHN CC(COC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC001122883889 858996385 /nfs/dbraw/zinc/99/63/85/858996385.db2.gz PDCSKYFVKZQYSG-ZDCRXTMVSA-N 0 3 314.338 1.450 20 5 DDBDHN Cc1nnsc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001123373824 859199867 /nfs/dbraw/zinc/19/98/67/859199867.db2.gz HUKVXZMQGKWHNS-UHFFFAOYSA-N 0 3 321.362 1.274 20 5 DDBDHN Cc1nc(Cl)nc(N[C@H](C)[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159489150 865341010 /nfs/dbraw/zinc/34/10/10/865341010.db2.gz KKYZTLJJHUGECJ-SVRRBLITSA-N 0 3 301.734 1.135 20 5 DDBDHN O=[N+]([O-])c1c(F)cccc1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001335116691 868075600 /nfs/dbraw/zinc/07/56/00/868075600.db2.gz JMWMXWUYEKKRKK-CHWSQXEVSA-N 0 3 309.341 1.769 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@H]2CN(CC)CC2(C)C)c1[N+](=O)[O-] ZINC001304042444 871180533 /nfs/dbraw/zinc/18/05/33/871180533.db2.gz JHGTVMOMFHWSQH-NSHDSACASA-N 0 3 323.397 1.731 20 5 DDBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CCNC[C@@H]2F)n1 ZINC001205219628 871436094 /nfs/dbraw/zinc/43/60/94/871436094.db2.gz SKJUGTHOYRSUQN-YUMQZZPRSA-N 0 3 311.248 1.594 20 5 DDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001348998647 874915603 /nfs/dbraw/zinc/91/56/03/874915603.db2.gz MLTKTYAHMOTCFZ-RYUDHWBXSA-N 0 3 322.340 1.625 20 5 DDBDHN Cc1[nH]nc(C(=O)N2CCN(C3CCCC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001352971968 877046921 /nfs/dbraw/zinc/04/69/21/877046921.db2.gz YHXZOYKECKIWJG-JTQLQIEISA-N 0 3 321.381 1.715 20 5 DDBDHN O=[N+]([O-])c1c[nH]cc2nc(OC3CCN(C4CC4)CC3)nc1-2 ZINC001230228745 884382788 /nfs/dbraw/zinc/38/27/88/884382788.db2.gz AQDPGRBAMHEFSY-UHFFFAOYSA-N 0 3 303.322 1.872 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1cn3cccnc3n1)C2 ZINC001254566097 896504332 /nfs/dbraw/zinc/50/43/32/896504332.db2.gz HQGPYPUNJLRDKD-ZDUSSCGKSA-N 0 3 309.329 1.895 20 5 DDBDHN CN1CC=C(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000286550079 219049424 /nfs/dbraw/zinc/04/94/24/219049424.db2.gz QBWFTKRRBDVNJJ-UHFFFAOYSA-N 0 3 315.333 1.917 20 5 DDBDHN C[C@H](O)CN1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249484537 282159739 /nfs/dbraw/zinc/15/97/39/282159739.db2.gz CFVYQIUFZHGWTD-KBPBESRZSA-N 0 3 323.393 1.361 20 5 DDBDHN CO[C@H]1C[C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000451501301 231112983 /nfs/dbraw/zinc/11/29/83/231112983.db2.gz OUPNUIOZHNVEDD-OLZOCXBDSA-N 0 3 307.350 1.936 20 5 DDBDHN CN(C(=O)CN[C@H](CCO)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000181465299 199301238 /nfs/dbraw/zinc/30/12/38/199301238.db2.gz UEORIJZRNZKCQL-CQSZACIVSA-N 0 3 323.393 1.944 20 5 DDBDHN COC[C@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000181581014 199322573 /nfs/dbraw/zinc/32/25/73/199322573.db2.gz PKHSOVQILCBWRZ-ZDUSSCGKSA-N 0 3 323.349 1.557 20 5 DDBDHN CN(CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000491323018 529912399 /nfs/dbraw/zinc/91/23/99/529912399.db2.gz XVLHTLVXVZNNQQ-CLTKARDFSA-N 0 3 307.325 1.958 20 5 DDBDHN CN(C)Cc1ccc(CNC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000160417674 290771385 /nfs/dbraw/zinc/77/13/85/290771385.db2.gz NIDPGFSTIKQDLS-UHFFFAOYSA-N 0 3 317.349 1.320 20 5 DDBDHN C[C@]1(O)CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000280018151 215315803 /nfs/dbraw/zinc/31/58/03/215315803.db2.gz KGJLCEAQBQMINA-BBRMVZONSA-N 0 3 324.377 1.571 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272441351 209845703 /nfs/dbraw/zinc/84/57/03/209845703.db2.gz INGPOMKBVCEFHH-SWLSCSKDSA-N 0 3 303.362 1.690 20 5 DDBDHN Cc1ccc([C@@H](C)NC(=O)C(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000177855413 186193958 /nfs/dbraw/zinc/19/39/58/186193958.db2.gz MBQGZNMGOYHGIR-ZJUUUORDSA-N 0 3 314.363 1.514 20 5 DDBDHN CN(C)C1(CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000188023591 186245112 /nfs/dbraw/zinc/24/51/12/186245112.db2.gz CWOSNBFRZKRTEE-UHFFFAOYSA-N 0 3 321.377 1.916 20 5 DDBDHN C[C@H]1NCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000262878745 186318014 /nfs/dbraw/zinc/31/80/14/186318014.db2.gz VTGJMIGOQKKTDW-NEPJUHHUSA-N 0 3 306.366 1.240 20 5 DDBDHN Cc1cnccc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564874070 304022357 /nfs/dbraw/zinc/02/23/57/304022357.db2.gz YCOPYWZNBSSLHG-CQSZACIVSA-N 0 3 317.345 1.828 20 5 DDBDHN C[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000042503856 352340698 /nfs/dbraw/zinc/34/06/98/352340698.db2.gz XURVELSLTNLXMY-GFCCVEGCSA-N 0 3 307.350 1.574 20 5 DDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])NCCN1CCCCC1 ZINC000047140108 352482757 /nfs/dbraw/zinc/48/27/57/352482757.db2.gz WAQLDZUCMPVLJD-UHFFFAOYSA-N 0 3 320.393 1.999 20 5 DDBDHN CN1CCC[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054644032 352699438 /nfs/dbraw/zinc/69/94/38/352699438.db2.gz BQCROYWIYJURPA-ZDUSSCGKSA-N 0 3 306.366 1.531 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](N3CCCC3)C2)n1 ZINC000331922231 234279412 /nfs/dbraw/zinc/27/94/12/234279412.db2.gz ZSJDUHNSEXUGHH-LBPRGKRZSA-N 0 3 321.381 1.512 20 5 DDBDHN COc1ccc(CC(=O)NC[C@@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000068195974 353095113 /nfs/dbraw/zinc/09/51/13/353095113.db2.gz DCGFADAGLZPPHE-LLVKDONJSA-N 0 3 321.377 1.745 20 5 DDBDHN CNC(=O)c1ccc(N2CCCN(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000068916240 353135909 /nfs/dbraw/zinc/13/59/09/353135909.db2.gz WHEKLWFYHHGSLL-UHFFFAOYSA-N 0 3 320.393 1.875 20 5 DDBDHN COc1ccc(CC(=O)NC[C@@H](C)N2CCCC2)cc1[N+](=O)[O-] ZINC000069377294 353159381 /nfs/dbraw/zinc/15/93/81/353159381.db2.gz TVSTUDYNOBPFIT-GFCCVEGCSA-N 0 3 321.377 1.746 20 5 DDBDHN CC(C)N1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000069084074 353143733 /nfs/dbraw/zinc/14/37/33/353143733.db2.gz NQZNQOSOCUBMKZ-UHFFFAOYSA-N 0 3 320.393 1.949 20 5 DDBDHN CCN(CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCNC1=O ZINC000281637665 354426530 /nfs/dbraw/zinc/42/65/30/354426530.db2.gz IKFUQXXBJXCVJS-AWEZNQCLSA-N 0 3 307.350 1.574 20 5 DDBDHN O=[N+]([O-])c1c2cccnc2ccc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405198888 354677187 /nfs/dbraw/zinc/67/71/87/354677187.db2.gz BWMVQWJFPCSUSN-NWDGAFQWSA-N 0 3 314.345 1.398 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCN1CCC(OC)CC1 ZINC000588822645 354939514 /nfs/dbraw/zinc/93/95/14/354939514.db2.gz ZILLNMYZDYZKOP-UHFFFAOYSA-N 0 3 311.386 1.642 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c1 ZINC000590442948 355097858 /nfs/dbraw/zinc/09/78/58/355097858.db2.gz IGLRAPYLOKYOIF-IINYFYTJSA-N 0 3 305.334 1.380 20 5 DDBDHN CN1CC[C@@H]2CN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]21 ZINC000590659983 355139877 /nfs/dbraw/zinc/13/98/77/355139877.db2.gz IFUVOIPTWGWBPL-RISCZKNCSA-N 0 3 319.361 1.502 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](O)[C@H]1C ZINC000591039637 355237961 /nfs/dbraw/zinc/23/79/61/355237961.db2.gz WWBFMBXHYVEAPY-ZWNOBZJWSA-N 0 3 323.349 1.387 20 5 DDBDHN Cc1cc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000591740934 355375631 /nfs/dbraw/zinc/37/56/31/355375631.db2.gz KPPBQZKKHLNHGR-ZDUSSCGKSA-N 0 3 306.322 1.156 20 5 DDBDHN Cc1cc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000591740934 355375633 /nfs/dbraw/zinc/37/56/33/355375633.db2.gz KPPBQZKKHLNHGR-ZDUSSCGKSA-N 0 3 306.322 1.156 20 5 DDBDHN O=C([C@@H]1CNCCC1(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000591675038 355359576 /nfs/dbraw/zinc/35/95/76/355359576.db2.gz NBYVWTBKYONJSF-NSHDSACASA-N 0 3 311.288 1.729 20 5 DDBDHN COc1c(C(=O)N2CCN3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000332655735 235248665 /nfs/dbraw/zinc/24/86/65/235248665.db2.gz VPKMKKBQWMATET-NSHDSACASA-N 0 3 305.334 1.524 20 5 DDBDHN CC(C)[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CCN1 ZINC000592543471 355622641 /nfs/dbraw/zinc/62/26/41/355622641.db2.gz CFCVPYTWULOPRH-CYBMUJFWSA-N 0 3 321.377 1.820 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)[C@H]2CCOC2)c1 ZINC000593024621 355772391 /nfs/dbraw/zinc/77/23/91/355772391.db2.gz OVFWNASGSVDUHA-JQWIXIFHSA-N 0 3 308.334 1.896 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593519674 355912616 /nfs/dbraw/zinc/91/26/16/355912616.db2.gz AOBQPXFRMSGWTM-IINYFYTJSA-N 0 3 321.352 1.875 20 5 DDBDHN COCCN(C)C[C@@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000593969923 356076901 /nfs/dbraw/zinc/07/69/01/356076901.db2.gz GNYIHCASRJFJJM-STQMWFEESA-N 0 3 311.382 1.185 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)n1 ZINC000594198105 356136874 /nfs/dbraw/zinc/13/68/74/356136874.db2.gz RXLMSIDMLHIFIY-NEPJUHHUSA-N 0 3 321.381 1.558 20 5 DDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594198111 356137592 /nfs/dbraw/zinc/13/75/92/356137592.db2.gz CXFPOGWXZNSHNF-UONOGXRCSA-N 0 3 321.381 1.315 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594200421 356138119 /nfs/dbraw/zinc/13/81/19/356138119.db2.gz LVXPZTJKPOFQEM-VXGBXAGGSA-N 0 3 321.381 1.383 20 5 DDBDHN C[C@@H](NC(=O)N[C@@H](CN)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000594524933 356243352 /nfs/dbraw/zinc/24/33/52/356243352.db2.gz NQKPAUOFJWAZCY-XCBNKYQSSA-N 0 3 320.271 1.845 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@]1(O)CCO[C@H]1C ZINC000595053513 356376505 /nfs/dbraw/zinc/37/65/05/356376505.db2.gz KOXAJRMDEOYMEV-ZIBATOQPSA-N 0 3 310.350 1.794 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CCCNC1=O ZINC000595050772 356376573 /nfs/dbraw/zinc/37/65/73/356376573.db2.gz KKZPUNSTTWVBOV-WDEREUQCSA-N 0 3 307.350 1.780 20 5 DDBDHN CC(C)C[C@](C)(C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595102632 356382627 /nfs/dbraw/zinc/38/26/27/356382627.db2.gz PJRLJPAERXEMBO-GFCCVEGCSA-N 0 3 316.383 1.032 20 5 DDBDHN N[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[C@H]1F ZINC000595260529 356423862 /nfs/dbraw/zinc/42/38/62/356423862.db2.gz BBUGKOPAOHLRAC-VXGBXAGGSA-N 0 3 322.340 1.680 20 5 DDBDHN O=C(NCCNc1ccncc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000347081202 283168924 /nfs/dbraw/zinc/16/89/24/283168924.db2.gz XHOODSYUIRRMLP-UHFFFAOYSA-N 0 3 320.736 1.907 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CO)C1CCC1 ZINC000595615051 356577969 /nfs/dbraw/zinc/57/79/69/356577969.db2.gz FXKBLQDBOKGYRE-AWEZNQCLSA-N 0 3 307.350 1.592 20 5 DDBDHN C[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595780369 356649636 /nfs/dbraw/zinc/64/96/36/356649636.db2.gz JMBAMDRQYWRXEN-HZSPNIEDSA-N 0 3 324.377 1.834 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2C[C@]34COC[C@@]3(C2)CCCC4)n1 ZINC000595911738 356702349 /nfs/dbraw/zinc/70/23/49/356702349.db2.gz WNUBMJSXJVFCFI-GASCZTMLSA-N 0 3 306.366 1.684 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CCCN(C)C[C@@H]2CC)c1[N+](=O)[O-] ZINC000597603806 357250505 /nfs/dbraw/zinc/25/05/05/357250505.db2.gz DYOBGHRWLUHRIW-JTQLQIEISA-N 0 3 309.370 1.437 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CCCN(C)C[C@@H]2CC)c1[N+](=O)[O-] ZINC000597603806 357250510 /nfs/dbraw/zinc/25/05/10/357250510.db2.gz DYOBGHRWLUHRIW-JTQLQIEISA-N 0 3 309.370 1.437 20 5 DDBDHN C[C@H](CN1CCC(C)CC1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000598262878 357513285 /nfs/dbraw/zinc/51/32/85/357513285.db2.gz NDCKSBIZCSIADA-GFCCVEGCSA-N 0 3 309.370 1.028 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000598342911 357545565 /nfs/dbraw/zinc/54/55/65/357545565.db2.gz OUHWMDXRELPQTR-GFCCVEGCSA-N 0 3 307.350 1.574 20 5 DDBDHN COC(=O)c1ccnc(N(C)C[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000598599039 357648592 /nfs/dbraw/zinc/64/85/92/357648592.db2.gz XGYCLEANRXFIBH-NSHDSACASA-N 0 3 322.365 1.554 20 5 DDBDHN COC(=O)c1ccnc(N(C)C[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000598631031 357662633 /nfs/dbraw/zinc/66/26/33/357662633.db2.gz NYCNXFPSMPWJKQ-JTQLQIEISA-N 0 3 308.338 1.307 20 5 DDBDHN CC(C)[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCN1 ZINC000598569246 357634798 /nfs/dbraw/zinc/63/47/98/357634798.db2.gz CBEHFRMHPQFACE-CYBMUJFWSA-N 0 3 309.341 1.733 20 5 DDBDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000599625488 357997236 /nfs/dbraw/zinc/99/72/36/357997236.db2.gz MHESYJLWLJYMTL-OVZMXSCWSA-N 0 3 321.377 1.959 20 5 DDBDHN COC(=O)c1ccnc(N2C[C@@H]3CCN(C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000601185727 358438769 /nfs/dbraw/zinc/43/87/69/358438769.db2.gz ZZPSEZOONANOML-WDEREUQCSA-N 0 3 320.349 1.164 20 5 DDBDHN COCCOC[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602787579 359192193 /nfs/dbraw/zinc/19/21/93/359192193.db2.gz ZOTXGDGPARUUSI-ZDUSSCGKSA-N 0 3 312.370 1.085 20 5 DDBDHN CO[C@@H]1C[C@@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])C12CCC2 ZINC000602839808 359228432 /nfs/dbraw/zinc/22/84/32/359228432.db2.gz LWLCLUUFYHDRQI-CHWSQXEVSA-N 0 3 308.382 1.989 20 5 DDBDHN C[C@H](N[C@@H]1C[C@H](O)C1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000565666772 304083302 /nfs/dbraw/zinc/08/33/02/304083302.db2.gz STZBYVURNRLREI-BIMULSAOSA-N 0 3 307.350 1.671 20 5 DDBDHN COc1cc([N+](=O)[O-])cn(CCN2C[C@H](C)C[C@@H](C)C2)c1=O ZINC000603356605 359590620 /nfs/dbraw/zinc/59/06/20/359590620.db2.gz BNDXTKHCVDDRNA-VXGBXAGGSA-N 0 3 309.366 1.743 20 5 DDBDHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000187732796 200149798 /nfs/dbraw/zinc/14/97/98/200149798.db2.gz LBLUBJXYIIUCEN-UHFFFAOYSA-N 0 3 320.349 1.086 20 5 DDBDHN CN(C)C[C@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000609154023 360268498 /nfs/dbraw/zinc/26/84/98/360268498.db2.gz QXTHTYDUXXOUGY-CQSZACIVSA-N 0 3 321.377 1.916 20 5 DDBDHN CN1CCC[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000609257605 360277398 /nfs/dbraw/zinc/27/73/98/360277398.db2.gz DPMJWPHMXFGZLZ-JTQLQIEISA-N 0 3 302.334 1.900 20 5 DDBDHN CC(C)[C@](C)(O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609571600 360326274 /nfs/dbraw/zinc/32/62/74/360326274.db2.gz VFYSLXLHLZXOPT-OAHLLOKOSA-N 0 3 310.350 1.863 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000610654055 360492334 /nfs/dbraw/zinc/49/23/34/360492334.db2.gz GVVMHBIWPJJXLJ-GHMZBOCLSA-N 0 3 321.381 1.268 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CCS(=O)(=O)C1 ZINC000610798377 360539901 /nfs/dbraw/zinc/53/99/01/360539901.db2.gz YNEGUSPLHCJQFX-NEPJUHHUSA-N 0 3 312.391 1.989 20 5 DDBDHN CC(C)(NCCn1ccc([N+](=O)[O-])n1)C(=O)Nc1ccccc1 ZINC000610844374 360551620 /nfs/dbraw/zinc/55/16/20/360551620.db2.gz MIZLKMVAWKOSTL-UHFFFAOYSA-N 0 3 317.349 1.798 20 5 DDBDHN CC[C@@H]1CN(C)CCCN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000619578151 364071003 /nfs/dbraw/zinc/07/10/03/364071003.db2.gz AZYZTKRUBVPFSB-CYBMUJFWSA-N 0 3 323.397 1.433 20 5 DDBDHN CCOC(=O)c1ccnc(NCC2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000271817432 209240602 /nfs/dbraw/zinc/24/06/02/209240602.db2.gz MYUYDSLZCDEISC-UHFFFAOYSA-N 0 3 320.349 1.840 20 5 DDBDHN CN(C)C1(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000275487428 212366934 /nfs/dbraw/zinc/36/69/34/212366934.db2.gz PBXXMMJFWMVTMR-UHFFFAOYSA-N 0 3 320.393 1.921 20 5 DDBDHN Cc1n[nH]c(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288473196 220165022 /nfs/dbraw/zinc/16/50/22/220165022.db2.gz QNIACTBUTYEIDS-GXSJLCMTSA-N 0 3 307.354 1.325 20 5 DDBDHN COc1c(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000334084035 249209208 /nfs/dbraw/zinc/20/92/08/249209208.db2.gz WDAMABMGWKCZLV-MNOVXSKESA-N 0 3 307.350 1.816 20 5 DDBDHN CC[C@H](NC[C@@H]1CN(C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268961856 207125926 /nfs/dbraw/zinc/12/59/26/207125926.db2.gz XKTLGIHFIJXNHL-CVEARBPZSA-N 0 3 306.410 1.881 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000341025437 251344629 /nfs/dbraw/zinc/34/46/29/251344629.db2.gz JCNSXHOKDYJJTC-GXTWGEPZSA-N 0 3 320.393 1.919 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)C[NH3+])cc1C ZINC000063020549 184267468 /nfs/dbraw/zinc/26/74/68/184267468.db2.gz WJKNXMDBBQKPMM-UHFFFAOYSA-N 0 3 301.368 1.227 20 5 DDBDHN CC1(C)SC[C@@H]1NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567708856 304235948 /nfs/dbraw/zinc/23/59/48/304235948.db2.gz XXRSJUBJDJCURR-YPMHNXCESA-N 0 3 312.391 1.818 20 5 DDBDHN Cc1ccc(N(C)CCCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000269975211 208027738 /nfs/dbraw/zinc/02/77/38/208027738.db2.gz YSQHTESQLABVGX-UHFFFAOYSA-N 0 3 306.410 1.977 20 5 DDBDHN CN(C(=O)CNC(C)(C)C(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000271586507 209036858 /nfs/dbraw/zinc/03/68/58/209036858.db2.gz FMUSBIAYEIKYPT-UHFFFAOYSA-N 0 3 309.366 1.697 20 5 DDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000121124448 195296152 /nfs/dbraw/zinc/29/61/52/195296152.db2.gz WPZVXRQXTAEJLT-DOMZBBRYSA-N 0 3 321.377 1.772 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000072064511 406873256 /nfs/dbraw/zinc/87/32/56/406873256.db2.gz BPBNUZPXEYORQG-ZIAGYGMSSA-N 0 3 319.361 1.496 20 5 DDBDHN Cc1c(NC(=O)C(=O)NC2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000048773669 407108269 /nfs/dbraw/zinc/10/82/69/407108269.db2.gz RFELHAQPKPKFCM-UHFFFAOYSA-N 0 3 320.349 1.052 20 5 DDBDHN Cc1c(CC(=O)N(C)[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000125427875 407387915 /nfs/dbraw/zinc/38/79/15/407387915.db2.gz MFGOUYOCESJODV-CQSZACIVSA-N 0 3 305.378 1.998 20 5 DDBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1N(C)C ZINC000271019436 407472158 /nfs/dbraw/zinc/47/21/58/407472158.db2.gz HTLVLBULCOQFDK-SCZZXKLOSA-N 0 3 315.420 1.774 20 5 DDBDHN CN1CCN(CCn2ccc([N+](=O)[O-])n2)C2(CCCCC2)C1 ZINC000178402458 407445530 /nfs/dbraw/zinc/44/55/30/407445530.db2.gz JCEBCWSTPCVKLU-UHFFFAOYSA-N 0 3 307.398 1.742 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(C)(C)CC(N)=O ZINC000186230412 407612564 /nfs/dbraw/zinc/61/25/64/407612564.db2.gz RASOUUROKJRNIW-UHFFFAOYSA-N 0 3 308.338 1.085 20 5 DDBDHN CN1CCC(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000271285677 407614292 /nfs/dbraw/zinc/61/42/92/407614292.db2.gz DFVKIIGDRBRJOF-UHFFFAOYSA-N 0 3 321.362 1.424 20 5 DDBDHN CCOC(=O)CC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000266888571 407661783 /nfs/dbraw/zinc/66/17/83/407661783.db2.gz CRVJJBDVZPBLAA-UHFFFAOYSA-N 0 3 310.354 1.457 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118096607 407886025 /nfs/dbraw/zinc/88/60/25/407886025.db2.gz FNUWSNJSUOELMG-ZDUSSCGKSA-N 0 3 320.349 1.134 20 5 DDBDHN CCN(CCNC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000119009921 407977293 /nfs/dbraw/zinc/97/72/93/407977293.db2.gz LIGQFHMLRCBSCX-UHFFFAOYSA-N 0 3 320.393 1.921 20 5 DDBDHN CC(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000268191606 407940507 /nfs/dbraw/zinc/94/05/07/407940507.db2.gz FAFOSFVRXZYIAE-ZETCQYMHSA-N 0 3 320.754 1.298 20 5 DDBDHN NC(=O)C[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000175250772 408087945 /nfs/dbraw/zinc/08/79/45/408087945.db2.gz UGQAPVYUGKRRDD-LBPRGKRZSA-N 0 3 307.350 1.561 20 5 DDBDHN NC(=O)C[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269631597 408369028 /nfs/dbraw/zinc/36/90/28/408369028.db2.gz FWXWSESOKRYCRB-FZMZJTMJSA-N 0 3 307.350 1.216 20 5 DDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000247340709 408455211 /nfs/dbraw/zinc/45/52/11/408455211.db2.gz JFAWDLMMMDJZQS-IUODEOHRSA-N 0 3 305.378 1.936 20 5 DDBDHN Cc1cccc(C(=O)NC[C@@H](O)CN2CCCCC2)c1[N+](=O)[O-] ZINC000160076090 408455648 /nfs/dbraw/zinc/45/56/48/408455648.db2.gz KABXYEWZQGAWLH-CYBMUJFWSA-N 0 3 321.377 1.480 20 5 DDBDHN CN(CCOc1cccc([N+](=O)[O-])c1)CCN1CCOCC1 ZINC000264292792 408430044 /nfs/dbraw/zinc/43/00/44/408430044.db2.gz QDWPZGYUCZWKHB-UHFFFAOYSA-N 0 3 309.366 1.238 20 5 DDBDHN C[C@H](O)[C@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000248584176 408592799 /nfs/dbraw/zinc/59/27/99/408592799.db2.gz QQHCYTHPSTUFMN-SGMGOOAPSA-N 0 3 310.350 1.037 20 5 DDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCCNC1 ZINC000193352305 408712922 /nfs/dbraw/zinc/71/29/22/408712922.db2.gz DBPWTHJLBINBMB-NSHDSACASA-N 0 3 313.379 1.242 20 5 DDBDHN COCCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000194976637 408806793 /nfs/dbraw/zinc/80/67/93/408806793.db2.gz HPYVTTFTBPFJSN-UHFFFAOYSA-N 0 3 322.365 1.827 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN[C@@]2(CO)CCCc3ccccc32)c1 ZINC000281731987 408919591 /nfs/dbraw/zinc/91/95/91/408919591.db2.gz PVOODNGOKMTOIR-MRXNPFEDSA-N 0 3 316.361 1.605 20 5 DDBDHN CCN(C)c1ccc(CNCCn2cc([N+](=O)[O-])cn2)cn1 ZINC000191364833 163182194 /nfs/dbraw/zinc/18/21/94/163182194.db2.gz CUVJMGDAYYDIMI-UHFFFAOYSA-N 0 3 304.354 1.432 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000317055392 164025552 /nfs/dbraw/zinc/02/55/52/164025552.db2.gz HPAACSPRULOOBT-NSHDSACASA-N 0 3 306.366 1.851 20 5 DDBDHN C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H](C)CN1C ZINC000408075845 164220221 /nfs/dbraw/zinc/22/02/21/164220221.db2.gz ZYLWWTSLUVZGDQ-NXEZZACHSA-N 0 3 317.349 1.636 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCCCNCc1cccnc1 ZINC000319655199 409897587 /nfs/dbraw/zinc/89/75/87/409897587.db2.gz RXGONMPWOISZDY-UHFFFAOYSA-N 0 3 317.349 1.238 20 5 DDBDHN CCN1CCN(C[C@H](C)CNc2c([N+](=O)[O-])ncn2C)CC1 ZINC000342822151 409927023 /nfs/dbraw/zinc/92/70/23/409927023.db2.gz QQGLRTDUZREDNW-GFCCVEGCSA-N 0 3 310.402 1.014 20 5 DDBDHN C[C@H](CN1CCOCC1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338350927 409929968 /nfs/dbraw/zinc/92/99/68/409929968.db2.gz QOEIPPCGBKQGSS-CQSZACIVSA-N 0 3 307.394 1.790 20 5 DDBDHN COc1ccc(CN[C@H]2CCC(=O)NC2(C)C)cc1[N+](=O)[O-] ZINC000338476111 410015332 /nfs/dbraw/zinc/01/53/32/410015332.db2.gz GDMFUKWQWRDUJB-ZDUSSCGKSA-N 0 3 307.350 1.750 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)N(C)C ZINC000297906390 410041407 /nfs/dbraw/zinc/04/14/07/410041407.db2.gz PFXMUEQGFOSJND-LLVKDONJSA-N 0 3 322.365 1.216 20 5 DDBDHN C[C@H]1C[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CN1C1CC1 ZINC000357513641 410079431 /nfs/dbraw/zinc/07/94/31/410079431.db2.gz NPRREUVXTCNYLQ-IUCAKERBSA-N 0 3 305.338 1.126 20 5 DDBDHN CCOCC(C)(C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000339361538 410125455 /nfs/dbraw/zinc/12/54/55/410125455.db2.gz JFOVHXFOOYCMOZ-UHFFFAOYSA-N 0 3 321.377 1.889 20 5 DDBDHN COC(=O)c1cnc(N[C@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000357701776 410195560 /nfs/dbraw/zinc/19/55/60/410195560.db2.gz XSIILHYNWIWGGS-KOLCDFICSA-N 0 3 308.338 1.671 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)[C@H](O)C1 ZINC000351776429 410223832 /nfs/dbraw/zinc/22/38/32/410223832.db2.gz BAXXJDIMACJHPG-ZWNOBZJWSA-N 0 3 323.349 1.245 20 5 DDBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000352186867 410534753 /nfs/dbraw/zinc/53/47/53/410534753.db2.gz OJQDLPLIFVPMMG-ZIAGYGMSSA-N 0 3 310.350 1.445 20 5 DDBDHN C[C@@H]1COCCN1CCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000352570320 410665219 /nfs/dbraw/zinc/66/52/19/410665219.db2.gz FXWNAMSRGQLEBP-CQSZACIVSA-N 0 3 307.394 1.790 20 5 DDBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000337255664 410674423 /nfs/dbraw/zinc/67/44/23/410674423.db2.gz RJPYBMGNJLFAMY-UHFFFAOYSA-N 0 3 317.349 1.522 20 5 DDBDHN CCCN(C)CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359628578 410779603 /nfs/dbraw/zinc/77/96/03/410779603.db2.gz ZWEIFGDOUWLELL-UHFFFAOYSA-N 0 3 307.350 1.658 20 5 DDBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000348223779 410863892 /nfs/dbraw/zinc/86/38/92/410863892.db2.gz XWZSPPVRKZHZMH-AWEZNQCLSA-N 0 3 318.377 1.362 20 5 DDBDHN Cn1c(C(=O)N2CC[C@@H](N3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000341175803 410915637 /nfs/dbraw/zinc/91/56/37/410915637.db2.gz UHSWCSOFIDJMDN-GFCCVEGCSA-N 0 3 306.366 1.634 20 5 DDBDHN CCCCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356442882 411033334 /nfs/dbraw/zinc/03/33/34/411033334.db2.gz DLHZDIHSQJDHJD-LBPRGKRZSA-N 0 3 323.397 1.713 20 5 DDBDHN C[C@@H]1CSC[C@@H]1N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000295257338 224623988 /nfs/dbraw/zinc/62/39/88/224623988.db2.gz UUXOJXBDXKAKCY-WBMYTEFPSA-N 0 3 312.391 1.330 20 5 DDBDHN C[C@@H](CO)N1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000373742219 418455230 /nfs/dbraw/zinc/45/52/30/418455230.db2.gz OPLAMDZBEDBQRD-LBPRGKRZSA-N 0 3 311.357 1.622 20 5 DDBDHN CN1CCC[C@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C1 ZINC000360536604 418458279 /nfs/dbraw/zinc/45/82/79/418458279.db2.gz LDIRKRFIELDXBU-LBPRGKRZSA-N 0 3 322.365 1.040 20 5 DDBDHN CCN(C[C@@H](C)OC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000291312703 222306445 /nfs/dbraw/zinc/30/64/45/222306445.db2.gz TWUHCQHEWCQJPF-OLZOCXBDSA-N 0 3 312.366 1.691 20 5 DDBDHN CN(C)CCn1ccc(NC(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000354138031 418646629 /nfs/dbraw/zinc/64/66/29/418646629.db2.gz PEDMJRKLQCWNRH-UHFFFAOYSA-N 0 3 303.322 1.605 20 5 DDBDHN CCOC(=O)CC[C@H](O)CNCc1cccc([N+](=O)[O-])c1C ZINC000385427967 418736249 /nfs/dbraw/zinc/73/62/49/418736249.db2.gz MHNLRAAHFNUVNF-ZDUSSCGKSA-N 0 3 310.350 1.697 20 5 DDBDHN CCO[C@H]1COCC[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000362009291 418738729 /nfs/dbraw/zinc/73/87/29/418738729.db2.gz APLVABVCAFOGNJ-DOMZBBRYSA-N 0 3 310.350 1.757 20 5 DDBDHN O=C1NC[C@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]12 ZINC000365655250 418890450 /nfs/dbraw/zinc/89/04/50/418890450.db2.gz IHTQXHIZRLQKBK-SVDKCWMDSA-N 0 3 301.346 1.676 20 5 DDBDHN NC(=O)c1ccc(CN2CC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000372155911 418840408 /nfs/dbraw/zinc/84/04/08/418840408.db2.gz HVBCRMVCOPUPMB-TZMCWYRMSA-N 0 3 319.361 1.552 20 5 DDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCc3nnnn3CC2)c(F)c1 ZINC000421392506 419594395 /nfs/dbraw/zinc/59/43/95/419594395.db2.gz CBOONJLSZXNVGL-JTQLQIEISA-N 0 3 306.301 1.215 20 5 DDBDHN C[C@H]1CCN[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000423185245 419985663 /nfs/dbraw/zinc/98/56/63/419985663.db2.gz NDWMHOWAEOTPAW-XHDPSFHLSA-N 0 3 303.362 1.868 20 5 DDBDHN C[C@H]1CCN[C@@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000423830169 420215238 /nfs/dbraw/zinc/21/52/38/420215238.db2.gz TWKWKVXVBANWRW-WCQYABFASA-N 0 3 321.381 1.343 20 5 DDBDHN CCOc1ccc(C(=O)NCC2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000416287575 420306964 /nfs/dbraw/zinc/30/69/64/420306964.db2.gz FEPPHXCQONUUSB-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN COc1cc(CNC2(CO)CCSCC2)ccc1[N+](=O)[O-] ZINC000459693925 420848121 /nfs/dbraw/zinc/84/81/21/420848121.db2.gz JKDXQOALMBPPGR-UHFFFAOYSA-N 0 3 312.391 1.951 20 5 DDBDHN CNc1nc(C(=O)N[C@@H](C)C2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000456004535 421086462 /nfs/dbraw/zinc/08/64/62/421086462.db2.gz KFHPDFKRXZZABD-JTQLQIEISA-N 0 3 319.365 1.412 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc2c1CCNC2 ZINC000517932124 421633760 /nfs/dbraw/zinc/63/37/60/421633760.db2.gz DQMIERKKIWDWFH-UHFFFAOYSA-N 0 3 301.306 1.226 20 5 DDBDHN Cc1cc(CCNC[C@H](O)COc2ccccc2[N+](=O)[O-])on1 ZINC000518172299 421642041 /nfs/dbraw/zinc/64/20/41/421642041.db2.gz RDSCQCQPSKAXNY-LBPRGKRZSA-N 0 3 321.333 1.463 20 5 DDBDHN CN(C(=O)CN[C@H]1C[C@@H](O)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000570525070 421651583 /nfs/dbraw/zinc/65/15/83/421651583.db2.gz GSFCHURPCLXOIW-QWHCGFSZSA-N 0 3 307.350 1.307 20 5 DDBDHN Cc1sc(C(=O)Nc2nn(C)c(C)c2CN)cc1[N+](=O)[O-] ZINC000595961270 422359916 /nfs/dbraw/zinc/35/99/16/422359916.db2.gz KDYKJDVMAWELIK-UHFFFAOYSA-N 0 3 309.351 1.718 20 5 DDBDHN CC(C)[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000076066449 263328817 /nfs/dbraw/zinc/32/88/17/263328817.db2.gz DKFYHXZEQKVNIN-STQMWFEESA-N 0 3 314.411 1.226 20 5 DDBDHN CCN(CCO)CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000183951681 263383599 /nfs/dbraw/zinc/38/35/99/263383599.db2.gz URFAOCUKTSOITI-VOTSOKGWSA-N 0 3 307.350 1.038 20 5 DDBDHN CN(C)CCOCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000345939759 272370572 /nfs/dbraw/zinc/37/05/72/272370572.db2.gz SRHLFMNAOYRHRK-UHFFFAOYSA-N 0 3 320.349 1.384 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@]3(CCN(C)C3)C2)n1 ZINC000292364794 274004800 /nfs/dbraw/zinc/00/48/00/274004800.db2.gz ROSAVQBQLCGLEG-OAHLLOKOSA-N 0 3 320.349 1.308 20 5 DDBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1N1CCCC1 ZINC000295117239 274183515 /nfs/dbraw/zinc/18/35/15/274183515.db2.gz WGFDHTBDAIMQEO-CHWSQXEVSA-N 0 3 323.422 1.709 20 5 DDBDHN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C)CO ZINC000295769889 274244937 /nfs/dbraw/zinc/24/49/37/274244937.db2.gz PUCZKQHHYOAYLL-GHMZBOCLSA-N 0 3 307.350 1.090 20 5 DDBDHN O=[N+]([O-])c1cccc2c(N3CCCN(CCO)CC3)ccnc21 ZINC000322142236 275039600 /nfs/dbraw/zinc/03/96/00/275039600.db2.gz JWJFTVOFNUMLNN-UHFFFAOYSA-N 0 3 316.361 1.647 20 5 DDBDHN CC(C)(NCCCC(=O)NC(N)=O)c1ccccc1[N+](=O)[O-] ZINC000292214532 275552523 /nfs/dbraw/zinc/55/25/23/275552523.db2.gz ULIXWECOISQICV-UHFFFAOYSA-N 0 3 308.338 1.395 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000331216886 276041844 /nfs/dbraw/zinc/04/18/44/276041844.db2.gz PVNYOXLRRUJJDD-UWVGGRQHSA-N 0 3 309.370 1.654 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000449330548 278298705 /nfs/dbraw/zinc/29/87/05/278298705.db2.gz UQLCWYIBYFHALN-GMXVVIOVSA-N 0 3 312.391 1.549 20 5 DDBDHN CN(C)Cc1cccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000129916910 281361359 /nfs/dbraw/zinc/36/13/59/281361359.db2.gz PZZYZERQWQJNCV-UHFFFAOYSA-N 0 3 317.349 1.283 20 5 DDBDHN COC[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000136626676 281619242 /nfs/dbraw/zinc/61/92/42/281619242.db2.gz LKGJSELISYXYMO-GJZGRUSLSA-N 0 3 319.361 1.715 20 5 DDBDHN CN1C[C@@H]2CCCN(c3cccc(C(N)=O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000425283445 290281266 /nfs/dbraw/zinc/28/12/66/290281266.db2.gz LWUOLHGQSQCRGW-GXFFZTMASA-N 0 3 304.350 1.224 20 5 DDBDHN C[C@H]1CCN(C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000354004237 298335934 /nfs/dbraw/zinc/33/59/34/298335934.db2.gz AVVLAZXEDVEDSC-LBPRGKRZSA-N 0 3 307.350 1.526 20 5 DDBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H]1CN1CCCCCC1 ZINC000364616732 300420954 /nfs/dbraw/zinc/42/09/54/300420954.db2.gz TYESPJKNROBMPN-LBPRGKRZSA-N 0 3 321.381 1.799 20 5 DDBDHN CC(C)OC[C@H](O)CN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369012203 301119725 /nfs/dbraw/zinc/11/97/25/301119725.db2.gz UMXJYJZBBXLXBR-GXTWGEPZSA-N 0 3 312.370 1.214 20 5 DDBDHN CO[C@@H]1COC[C@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000575399103 304726920 /nfs/dbraw/zinc/72/69/20/304726920.db2.gz OGUZSBBTFINRJL-ZIAGYGMSSA-N 0 3 323.349 1.235 20 5 DDBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@]1(F)CCNC1 ZINC000378210856 302296077 /nfs/dbraw/zinc/29/60/77/302296077.db2.gz YOYMGOQSWWMXEO-OAHLLOKOSA-N 0 3 309.341 1.735 20 5 DDBDHN CN(CCCCCO)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000434682856 307304143 /nfs/dbraw/zinc/30/41/43/307304143.db2.gz BGKVUGTYPHSPOR-HNNXBMFYSA-N 0 3 321.377 1.795 20 5 DDBDHN CN(C)CCN(CC1CCCCC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000576610078 308327226 /nfs/dbraw/zinc/32/72/26/308327226.db2.gz AHGLLPAWNPZHFR-UHFFFAOYSA-N 0 3 323.397 1.902 20 5 DDBDHN C[C@@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000381458362 325741671 /nfs/dbraw/zinc/74/16/71/325741671.db2.gz IKAHYZYJRATJIA-RQJHMYQMSA-N 0 3 307.759 1.262 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](c3cccnc3)C2)c1 ZINC000582724547 337125712 /nfs/dbraw/zinc/12/57/12/337125712.db2.gz ZVZXYFQCZZVFDK-DZGCQCFKSA-N 0 3 317.349 1.037 20 5 DDBDHN O=C(C[C@H]1CNCCO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000583087660 337234156 /nfs/dbraw/zinc/23/41/56/337234156.db2.gz ZRJJKRVMZKTDDQ-HNNXBMFYSA-N 0 3 319.361 1.464 20 5 DDBDHN C[C@@H](CN1CCCCC1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000299320903 533818646 /nfs/dbraw/zinc/81/86/46/533818646.db2.gz XLTZKVIABYZVQC-LBPRGKRZSA-N 0 3 309.370 1.172 20 5 DDBDHN Cc1cc(NC(=O)C(=O)NCC2(N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000419833036 533930777 /nfs/dbraw/zinc/93/07/77/533930777.db2.gz YSCDHORSZOCBFW-UHFFFAOYSA-N 0 3 320.349 1.052 20 5 DDBDHN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1N(C)C ZINC000332645754 533970568 /nfs/dbraw/zinc/97/05/68/533970568.db2.gz LHPXRXDDYHCSNC-IUCAKERBSA-N 0 3 319.408 1.227 20 5 DDBDHN CC(C)OC[C@H](CO)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000433165941 528025397 /nfs/dbraw/zinc/02/53/97/528025397.db2.gz JGCJBLGHAHMGIU-AWEZNQCLSA-N 0 3 312.366 1.691 20 5 DDBDHN CCN1CCN(CCNC(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000446056699 529145972 /nfs/dbraw/zinc/14/59/72/529145972.db2.gz ZFTYXOQKWCAPOA-UHFFFAOYSA-N 0 3 320.393 1.271 20 5 DDBDHN C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000820668798 599590637 /nfs/dbraw/zinc/59/06/37/599590637.db2.gz WOKYVNOMPPLBJS-ONGXEEELSA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000820668798 599590639 /nfs/dbraw/zinc/59/06/39/599590639.db2.gz WOKYVNOMPPLBJS-ONGXEEELSA-N 0 3 317.353 1.670 20 5 DDBDHN CN1CCC[C@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119739419 696684944 /nfs/dbraw/zinc/68/49/44/696684944.db2.gz ITVIGVXZEHJRRF-SECBINFHSA-N 0 3 319.408 1.276 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(OCCCO)CC2)cc1 ZINC000776587936 698122506 /nfs/dbraw/zinc/12/25/06/698122506.db2.gz ZZIAQCKLNNPHQK-MRXNPFEDSA-N 0 3 324.377 1.492 20 5 DDBDHN COC(=O)[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000787328293 699206099 /nfs/dbraw/zinc/20/60/99/699206099.db2.gz QKQBRDZKFRECBF-ZLKJLUDKSA-N 0 3 308.334 1.512 20 5 DDBDHN CN(C)C(=O)[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839636457 701761709 /nfs/dbraw/zinc/76/17/09/701761709.db2.gz SJTBTCKHEMACLK-JSGCOSHPSA-N 0 3 307.350 1.038 20 5 DDBDHN CN1CCN(C2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000866214533 706651509 /nfs/dbraw/zinc/65/15/09/706651509.db2.gz PMLRNMSLEGGIEK-UHFFFAOYSA-N 0 3 322.384 1.950 20 5 DDBDHN COCCOCc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1F ZINC000813102703 702291001 /nfs/dbraw/zinc/29/10/01/702291001.db2.gz JAONLPFEUZIWFJ-JTQLQIEISA-N 0 3 315.297 1.811 20 5 DDBDHN CC(COC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1)[N+](=O)[O-] ZINC000813104874 702293220 /nfs/dbraw/zinc/29/32/20/702293220.db2.gz SMWOJGIPQBSEQR-LRDDRELGSA-N 0 3 320.345 1.890 20 5 DDBDHN Cc1ccc(C(=O)N[C@@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C)cc1 ZINC000813108775 702295179 /nfs/dbraw/zinc/29/51/79/702295179.db2.gz ALNOHVROLCKLJA-GXTWGEPZSA-N 0 3 322.361 1.958 20 5 DDBDHN CC(COC(=O)C1CCN(C(=O)N2CCCC2)CC1)[N+](=O)[O-] ZINC000813110676 702296529 /nfs/dbraw/zinc/29/65/29/702296529.db2.gz HKLYZMRRTDSHGX-LLVKDONJSA-N 0 3 313.354 1.123 20 5 DDBDHN CC(COC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813111447 702297213 /nfs/dbraw/zinc/29/72/13/702297213.db2.gz HJSVQDBRBUBQTD-VIFPVBQESA-N 0 3 320.261 1.603 20 5 DDBDHN CCN1CCN(c2ccc(C(=O)O[C@H](C)C[N+](=O)[O-])cc2)CC1 ZINC000814042335 702467078 /nfs/dbraw/zinc/46/70/78/702467078.db2.gz WHIWWJRMUNTCDK-CYBMUJFWSA-N 0 3 321.377 1.651 20 5 DDBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@H](CO)c1ccnn1C ZINC000866394821 706689045 /nfs/dbraw/zinc/68/90/45/706689045.db2.gz GJKQLXLPUJYELI-ZWNOBZJWSA-N 0 3 322.340 1.722 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2c3ccccc3C[C@H]2O)c1 ZINC000843071387 702813385 /nfs/dbraw/zinc/81/33/85/702813385.db2.gz ZRZVUVYTTVLQAP-ZACQAIPSSA-N 0 3 314.341 1.876 20 5 DDBDHN CC(COC(=O)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000845576529 703177236 /nfs/dbraw/zinc/17/72/36/703177236.db2.gz LZWXIQGHRQHSOM-MXWKQRLJSA-N 0 3 301.339 1.953 20 5 DDBDHN O=C1O[C@H](CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000848679185 703575037 /nfs/dbraw/zinc/57/50/37/703575037.db2.gz RQCCGPHNZPBXML-ZIAGYGMSSA-N 0 3 321.333 1.201 20 5 DDBDHN Cc1ccc(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000869785079 703852856 /nfs/dbraw/zinc/85/28/56/703852856.db2.gz BGNAHSQZFHAZQV-ZDUSSCGKSA-N 0 3 321.377 1.478 20 5 DDBDHN O=C1CC[C@@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]2N1 ZINC000852495437 704062206 /nfs/dbraw/zinc/06/22/06/704062206.db2.gz KXFFXVZGFSMXHA-BPLDGKMQSA-N 0 3 319.361 1.229 20 5 DDBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@](C)(O)c1ccccc1 ZINC000823592240 705274914 /nfs/dbraw/zinc/27/49/14/705274914.db2.gz QLZAVHRHJOJNME-HNNXBMFYSA-N 0 3 304.350 1.631 20 5 DDBDHN COCCN1CC[C@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823993477 705350792 /nfs/dbraw/zinc/35/07/92/705350792.db2.gz GITGJJPHZOYQIY-NSHDSACASA-N 0 3 323.353 1.019 20 5 DDBDHN COCCN1CCC[C@H]1COC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000861033930 705353958 /nfs/dbraw/zinc/35/39/58/705353958.db2.gz ZCJANXAHKVZQIB-LBPRGKRZSA-N 0 3 323.349 1.445 20 5 DDBDHN CN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC000893877084 710870969 /nfs/dbraw/zinc/87/09/69/710870969.db2.gz RXYLAKIAGIKINF-HNNXBMFYSA-N 0 3 320.393 1.873 20 5 DDBDHN C[C@@H]1CCCN(CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825098959 705599553 /nfs/dbraw/zinc/59/95/53/705599553.db2.gz RAHWASLORUWKMO-DOMZBBRYSA-N 0 3 321.377 1.476 20 5 DDBDHN CCOC(=O)Cc1ccc(N2CC(N(C)C)C2)c([N+](=O)[O-])c1 ZINC000825881582 705740613 /nfs/dbraw/zinc/74/06/13/705740613.db2.gz XBSHCQGCWYQELC-UHFFFAOYSA-N 0 3 307.350 1.451 20 5 DDBDHN O=C(NC[C@H]1Cc2ccccc2CN1)c1ccc([N+](=O)[O-])o1 ZINC000877345779 706073914 /nfs/dbraw/zinc/07/39/14/706073914.db2.gz BWAPPVARXRNUAR-GFCCVEGCSA-N 0 3 301.302 1.632 20 5 DDBDHN CCOc1cc(N2CCN(C)CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000897099208 708230005 /nfs/dbraw/zinc/23/00/05/708230005.db2.gz XLGVOUBKRFUBHI-UHFFFAOYSA-N 0 3 322.409 1.677 20 5 DDBDHN CC(C)(CCC(=O)NC[C@H]1CCN1C1CCOCC1)[N+](=O)[O-] ZINC000885888706 708655199 /nfs/dbraw/zinc/65/51/99/708655199.db2.gz OBMICPHHFMYOQY-CYBMUJFWSA-N 0 3 313.398 1.191 20 5 DDBDHN CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2cccnc2[N+](=O)[O-])C1 ZINC000886274570 708734367 /nfs/dbraw/zinc/73/43/67/708734367.db2.gz WIQUUUSAVOSUFN-MRVWCRGKSA-N 0 3 309.366 1.646 20 5 DDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCC2)C1 ZINC000912922138 713125118 /nfs/dbraw/zinc/12/51/18/713125118.db2.gz OFVPZCHQFRDFMJ-CYBMUJFWSA-N 0 3 318.377 1.703 20 5 DDBDHN CCN1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000910281808 709863380 /nfs/dbraw/zinc/86/33/80/709863380.db2.gz DWXGYGHNGRZSEO-LLVKDONJSA-N 0 3 306.366 1.733 20 5 DDBDHN CCOC(=O)c1ccnc(N2CC[C@@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000893941814 710894806 /nfs/dbraw/zinc/89/48/06/710894806.db2.gz WWXPVMKHDVDUOZ-PWSUYJOCSA-N 0 3 320.349 1.307 20 5 DDBDHN Cc1ccc([C@H](C)NC[C@]2(CO)COCCN2C)cc1[N+](=O)[O-] ZINC000903285919 711089385 /nfs/dbraw/zinc/08/93/85/711089385.db2.gz WTZZCEKOIZQUEN-BBRMVZONSA-N 0 3 323.393 1.247 20 5 DDBDHN COC(=O)c1cc(C)nc(N[C@@H]2CCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000895734792 711589909 /nfs/dbraw/zinc/58/99/09/711589909.db2.gz AUPOKUSTSAFVKI-GXSJLCMTSA-N 0 3 308.338 1.589 20 5 DDBDHN CN(C)C[C@@H](CO)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908201519 712708846 /nfs/dbraw/zinc/70/88/46/712708846.db2.gz QBAFOCKHDHEZBL-QMMMGPOBSA-N 0 3 319.720 1.040 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@H](O)c2ccco2)c1 ZINC000915223427 713413393 /nfs/dbraw/zinc/41/33/93/713413393.db2.gz JIVUAODLYVAKII-OCCSQVGLSA-N 0 3 322.317 1.251 20 5 DDBDHN CC[C@@H](CO)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000916570486 713458368 /nfs/dbraw/zinc/45/83/68/713458368.db2.gz GJCSJKAZWRHGNL-QMMMGPOBSA-N 0 3 301.730 1.547 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](c1ccccn1)C1CC1 ZINC000932380638 714320898 /nfs/dbraw/zinc/32/08/98/714320898.db2.gz DEGDONVDDBUFFU-INIZCTEOSA-N 0 3 314.345 1.892 20 5 DDBDHN O=C(Cc1c[nH]cn1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001167355549 733282087 /nfs/dbraw/zinc/28/20/87/733282087.db2.gz OYPWGVLPCGQOOD-UHFFFAOYSA-N 0 3 317.349 1.157 20 5 DDBDHN O=C(Cc1ccoc1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126131370 738365845 /nfs/dbraw/zinc/36/58/45/738365845.db2.gz TWXWKZQSDNIBPU-UHFFFAOYSA-N 0 3 303.318 1.636 20 5 DDBDHN CC(C)(C)C(=O)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001124977249 748742913 /nfs/dbraw/zinc/74/29/13/748742913.db2.gz ZKFOZYGOIUWLIT-UHFFFAOYSA-N 0 3 307.350 1.416 20 5 DDBDHN Nc1cccnc1N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036498 762191664 /nfs/dbraw/zinc/19/16/64/762191664.db2.gz GCOTTWWMVMNUMT-CHWSQXEVSA-N 0 3 305.382 1.231 20 5 DDBDHN CCOC(=O)c1cc(-n2ccc([C@H](C)N)n2)ccc1[N+](=O)[O-] ZINC001169234652 762294696 /nfs/dbraw/zinc/29/46/96/762294696.db2.gz JIOKTGATFDYQKJ-VIFPVBQESA-N 0 3 304.306 1.977 20 5 DDBDHN O=C(NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001086009303 760712958 /nfs/dbraw/zinc/71/29/58/760712958.db2.gz AYQXOQBAOQOHGK-VDISTLRHSA-N 0 3 303.362 1.989 20 5 DDBDHN CCOC(=O)c1ccc(N[C@@H](C)[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001170569514 768182983 /nfs/dbraw/zinc/18/29/83/768182983.db2.gz JFTJYBKFDQGVKH-IINYFYTJSA-N 0 3 323.349 1.560 20 5 DDBDHN O=[N+]([O-])c1cccnc1N1CCN(CC2CCC(O)CC2)CC1 ZINC001327536276 862249668 /nfs/dbraw/zinc/24/96/68/862249668.db2.gz ZYGDEZFNURUNAA-UHFFFAOYSA-N 0 3 320.393 1.663 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001328431112 862970908 /nfs/dbraw/zinc/97/09/08/862970908.db2.gz CFTBYDZVUWKSQA-LLVKDONJSA-N 0 3 322.321 1.717 20 5 DDBDHN COC(=O)c1cnc(Nc2ccc(CN)nc2)c([N+](=O)[O-])c1 ZINC001160402565 865817469 /nfs/dbraw/zinc/81/74/69/865817469.db2.gz VMSNKQROBCIZAY-UHFFFAOYSA-N 0 3 303.278 1.374 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1-c1nc([C@H]2CN3CCC2CC3)no1 ZINC001320327798 866647574 /nfs/dbraw/zinc/64/75/74/866647574.db2.gz MPFRROCQBPCMDV-VIFPVBQESA-N 0 3 304.310 1.188 20 5 DDBDHN CCN(CC)CCNC(=N)Nc1nccc(Cl)c1[N+](=O)[O-] ZINC001163122399 868125575 /nfs/dbraw/zinc/12/55/75/868125575.db2.gz JAZLWBXWXNVBQW-UHFFFAOYSA-N 0 3 314.777 1.921 20 5 DDBDHN COC(=O)N1CCC[C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC001308240197 871482461 /nfs/dbraw/zinc/48/24/61/871482461.db2.gz DLJFRFJKBSXSJK-LBPRGKRZSA-N 0 3 323.349 1.924 20 5 DDBDHN CN(C)CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccc1 ZINC001348533067 874618205 /nfs/dbraw/zinc/61/82/05/874618205.db2.gz UPCDXYBCYPRNIF-UHFFFAOYSA-N 0 3 303.322 1.526 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC001216480417 876955572 /nfs/dbraw/zinc/95/55/72/876955572.db2.gz OOXXHZJHZFUMOH-CMPLNLGQSA-N 0 3 319.365 1.324 20 5 DDBDHN CN1CCCC[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC001353890947 877633578 /nfs/dbraw/zinc/63/35/78/877633578.db2.gz AUHQEYQEAUPPBR-LLVKDONJSA-N 0 3 309.370 1.127 20 5 DDBDHN CO[C@@H]1CC[N@H+](CCOc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227743442 883153563 /nfs/dbraw/zinc/15/35/63/883153563.db2.gz PHWGAQKUSQBOTE-LLVKDONJSA-N 0 3 306.322 1.571 20 5 DDBDHN CO[C@@H]1CC[N@@H+](CCOc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227743442 883153570 /nfs/dbraw/zinc/15/35/70/883153570.db2.gz PHWGAQKUSQBOTE-LLVKDONJSA-N 0 3 306.322 1.571 20 5 DDBDHN O=C1NCC2(CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)O1 ZINC001254602825 896528748 /nfs/dbraw/zinc/52/87/48/896528748.db2.gz JCUWDAOECHEVNJ-AWEZNQCLSA-N 0 3 317.345 1.636 20 5 DDBDHN O=C(c1cccc([N+](=O)[O-])c1)N1CCC2(CC1)CNCCO2 ZINC001263223802 900540848 /nfs/dbraw/zinc/54/08/48/900540848.db2.gz SCTKLFDJXQLYJN-UHFFFAOYSA-N 0 3 305.334 1.189 20 5 DDBDHN CNC(=O)CC[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000286540062 219043703 /nfs/dbraw/zinc/04/37/03/219043703.db2.gz RUSARBMIQOVBKN-LBPRGKRZSA-N 0 3 309.370 1.172 20 5 DDBDHN CC[C@@H]1CN(CC)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000451730761 529389087 /nfs/dbraw/zinc/38/90/87/529389087.db2.gz PSYBRLHSJWFPSG-CQSZACIVSA-N 0 3 320.393 1.610 20 5 DDBDHN C[C@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])o2)CCCO1 ZINC000278718884 214351297 /nfs/dbraw/zinc/35/12/97/214351297.db2.gz VVNGCPSVSQBWKN-NSHDSACASA-N 0 3 311.338 1.419 20 5 DDBDHN CC[C@H](NC[C@@H](O)COCCOC)c1cccc([N+](=O)[O-])c1 ZINC000295006331 529612374 /nfs/dbraw/zinc/61/23/74/529612374.db2.gz OTMDUFWOXRYANU-CABCVRRESA-N 0 3 312.366 1.659 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCN(C2CCCC2)CC1 ZINC000090516903 185299825 /nfs/dbraw/zinc/29/98/25/185299825.db2.gz WOVFFQVLTLRVPP-UHFFFAOYSA-N 0 3 320.393 1.317 20 5 DDBDHN CN(C)[C@@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181429396 199295385 /nfs/dbraw/zinc/29/53/85/199295385.db2.gz SRQGFWFKLNRBLA-LLVKDONJSA-N 0 3 321.333 1.490 20 5 DDBDHN CN(CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295296580 529933355 /nfs/dbraw/zinc/93/33/55/529933355.db2.gz FCELOYXKWKECTB-HOTGVXAUSA-N 0 3 305.378 1.542 20 5 DDBDHN CN1CCC(NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000492092616 530049707 /nfs/dbraw/zinc/04/97/07/530049707.db2.gz YHPKTFKLHDBMER-HYXAFXHYSA-N 0 3 307.325 1.958 20 5 DDBDHN COC(=O)c1cnc(N[C@H]2CCN(CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000616369950 362664495 /nfs/dbraw/zinc/66/44/95/362664495.db2.gz DZZABXWMAGTHBS-LBPRGKRZSA-N 0 3 320.349 1.673 20 5 DDBDHN C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)CN1 ZINC000272646692 210051131 /nfs/dbraw/zinc/05/11/31/210051131.db2.gz YLZWUTVXZBBIOA-NXEZZACHSA-N 0 3 311.313 1.322 20 5 DDBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCN(C2CC2)C1 ZINC000358468199 299163237 /nfs/dbraw/zinc/16/32/37/299163237.db2.gz QDBMKPGCJSPCBS-AWEZNQCLSA-N 0 3 321.352 1.972 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000287100139 219312167 /nfs/dbraw/zinc/31/21/67/219312167.db2.gz LIENOEOBFRFOQW-CMPLNLGQSA-N 0 3 321.381 1.579 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000287100139 219312168 /nfs/dbraw/zinc/31/21/68/219312168.db2.gz LIENOEOBFRFOQW-CMPLNLGQSA-N 0 3 321.381 1.579 20 5 DDBDHN C[C@H]1CCCN(CCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046861373 352465790 /nfs/dbraw/zinc/46/57/90/352465790.db2.gz YPGYNEMXOCGEEF-ZDUSSCGKSA-N 0 3 305.378 1.985 20 5 DDBDHN CC(=O)NCC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051856703 352595066 /nfs/dbraw/zinc/59/50/66/352595066.db2.gz FTJGHIVRNZTITF-UHFFFAOYSA-N 0 3 321.377 1.822 20 5 DDBDHN C[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)N(C)C1CC1 ZINC000057703841 352825029 /nfs/dbraw/zinc/82/50/29/352825029.db2.gz IQSFINHIQPVDEM-JTQLQIEISA-N 0 3 309.370 1.125 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000057159504 352802430 /nfs/dbraw/zinc/80/24/30/352802430.db2.gz FHZDBNUAPGHFAN-GFCCVEGCSA-N 0 3 307.350 1.574 20 5 DDBDHN CC(C)N1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000068775798 353129507 /nfs/dbraw/zinc/12/95/07/353129507.db2.gz FPCMRHVMJNKONU-UHFFFAOYSA-N 0 3 320.393 1.949 20 5 DDBDHN CN(C)C/C=C\C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000492032880 234365564 /nfs/dbraw/zinc/36/55/64/234365564.db2.gz POFLIYXITNJTAM-ARJAWSKDSA-N 0 3 305.334 1.302 20 5 DDBDHN CN(C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1cccc(F)c1 ZINC000076267194 353409487 /nfs/dbraw/zinc/40/94/87/353409487.db2.gz ZGVBEKSBSFIPJO-LLVKDONJSA-N 0 3 320.328 1.821 20 5 DDBDHN C[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000105199271 353934159 /nfs/dbraw/zinc/93/41/59/353934159.db2.gz WERRSDFBIMWHMK-LLVKDONJSA-N 0 3 306.366 1.877 20 5 DDBDHN Cn1cc([C@@H](CO)NCCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000275139600 354411722 /nfs/dbraw/zinc/41/17/22/354411722.db2.gz DLQNAZTWUKRRJW-OAHLLOKOSA-N 0 3 320.349 1.420 20 5 DDBDHN CCc1ccc(C(=O)N[C@H](CO)CN2CCCC2)cc1[N+](=O)[O-] ZINC000588867147 354944603 /nfs/dbraw/zinc/94/46/03/354944603.db2.gz KFWSZGFSNNZQKH-AWEZNQCLSA-N 0 3 321.377 1.344 20 5 DDBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ncc([N+](=O)[O-])cc1F ZINC000591155721 355256490 /nfs/dbraw/zinc/25/64/90/355256490.db2.gz GDPCIDJXORKKPF-NSHDSACASA-N 0 3 311.361 1.567 20 5 DDBDHN NC1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000591672313 355358381 /nfs/dbraw/zinc/35/83/81/355358381.db2.gz GTKATTDIEWSFEW-UHFFFAOYSA-N 0 3 307.350 1.751 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]3CN(C)C[C@@H]32)c1 ZINC000593029328 355774641 /nfs/dbraw/zinc/77/46/41/355774641.db2.gz FFXPAVAPRACXDH-WFASDCNBSA-N 0 3 319.361 1.517 20 5 DDBDHN CCC(C)(C)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000594388793 356193891 /nfs/dbraw/zinc/19/38/91/356193891.db2.gz BFBOAIPUQVXMRE-UHFFFAOYSA-N 0 3 309.370 1.124 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCc2c(nnn2C)C1 ZINC000594515596 356241531 /nfs/dbraw/zinc/24/15/31/356241531.db2.gz OFGNEWXUIVHGMW-GFCCVEGCSA-N 0 3 301.350 1.679 20 5 DDBDHN Cn1cc(CNC/C=C/CO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594976284 356367028 /nfs/dbraw/zinc/36/70/28/356367028.db2.gz YKDBAURWXQQEMZ-NSCUHMNNSA-N 0 3 302.334 1.633 20 5 DDBDHN Cc1noc(CN2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000595344995 356457408 /nfs/dbraw/zinc/45/74/08/356457408.db2.gz BNEIZMWVOWDVKF-UHFFFAOYSA-N 0 3 303.322 1.608 20 5 DDBDHN NC1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC2(CCC2)C1 ZINC000595955428 356722077 /nfs/dbraw/zinc/72/20/77/356722077.db2.gz YTVHXBROQGLKLR-UHFFFAOYSA-N 0 3 316.361 1.536 20 5 DDBDHN CC(C)C[NH2+]C1(CO)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596253199 356833983 /nfs/dbraw/zinc/83/39/83/356833983.db2.gz AGPZRQFGNIJRDY-UHFFFAOYSA-N 0 3 324.381 1.272 20 5 DDBDHN CCN1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H](C)C1 ZINC000596268233 356839014 /nfs/dbraw/zinc/83/90/14/356839014.db2.gz GPYDAPKCOKBKQT-NSHDSACASA-N 0 3 306.366 1.614 20 5 DDBDHN Cc1cc(N2CCC(N3CCCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000596267907 356839042 /nfs/dbraw/zinc/83/90/42/356839042.db2.gz CEXQYMBJVGAFQU-UHFFFAOYSA-N 0 3 320.393 1.989 20 5 DDBDHN Cc1nn(C)c(C(=O)N2CCC[C@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000597717022 357300096 /nfs/dbraw/zinc/30/00/96/357300096.db2.gz WJUGKYMVSQIDGF-OAHLLOKOSA-N 0 3 321.381 1.195 20 5 DDBDHN CC(C)(C)N1CC[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000597920397 357381959 /nfs/dbraw/zinc/38/19/59/357381959.db2.gz BEPWIOJUEBWBCR-LLVKDONJSA-N 0 3 323.397 1.515 20 5 DDBDHN COc1ccc(OCCN2CC[C@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000598647129 357669137 /nfs/dbraw/zinc/66/91/37/357669137.db2.gz BUTVSAKFMWVEFV-STQMWFEESA-N 0 3 324.377 1.933 20 5 DDBDHN CC1(C)C[C@H](NCCN2CC[C@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000599094847 357814389 /nfs/dbraw/zinc/81/43/89/357814389.db2.gz ZJDMZVLBZNWJNP-BBRMVZONSA-N 0 3 319.405 1.973 20 5 DDBDHN O=[N+]([O-])c1c(NCCN2CC[C@H](O)C2)ccc2cnccc21 ZINC000599198914 357847975 /nfs/dbraw/zinc/84/79/75/357847975.db2.gz ATFBQXVQPDLBNZ-LBPRGKRZSA-N 0 3 302.334 1.622 20 5 DDBDHN CC(C)N1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000347912971 283298376 /nfs/dbraw/zinc/29/83/76/283298376.db2.gz LTVHKPFURJYCIC-NSHDSACASA-N 0 3 306.366 1.780 20 5 DDBDHN CN(CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CCC1 ZINC000600823775 358326013 /nfs/dbraw/zinc/32/60/13/358326013.db2.gz RUPUIRDZKBPSOG-UHFFFAOYSA-N 0 3 319.361 1.669 20 5 DDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCN(C2CCCC2)C1 ZINC000301212220 283368161 /nfs/dbraw/zinc/36/81/61/283368161.db2.gz XLTXFZYIEXFZKO-SNVBAGLBSA-N 0 3 319.365 1.518 20 5 DDBDHN C[C@H]1CCCN(CCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180931973 199228917 /nfs/dbraw/zinc/22/89/17/199228917.db2.gz GUSVYIBWFOXCSA-NSHDSACASA-N 0 3 306.366 1.639 20 5 DDBDHN COc1cc(CNCC[C@H](O)C(F)F)c([N+](=O)[O-])cc1OC ZINC000601147516 358421404 /nfs/dbraw/zinc/42/14/04/358421404.db2.gz QKKXZBZFJBUFDN-JTQLQIEISA-N 0 3 320.292 1.718 20 5 DDBDHN O=C1[C@H](NCCc2ccc([N+](=O)[O-])cc2)C[C@@H]2CCCCN12 ZINC000602687840 359125892 /nfs/dbraw/zinc/12/58/92/359125892.db2.gz MTOZMGRVFLMZIM-LSDHHAIUSA-N 0 3 303.362 1.880 20 5 DDBDHN Cc1ccc(CN2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000602729680 359152682 /nfs/dbraw/zinc/15/26/82/359152682.db2.gz AZVKLXPMRINQKM-HOTGVXAUSA-N 0 3 317.345 1.388 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000602769909 359177927 /nfs/dbraw/zinc/17/79/27/359177927.db2.gz XIBOWZZJKUOYKO-GFCCVEGCSA-N 0 3 304.354 1.702 20 5 DDBDHN COC(=O)[C@@]1(C)CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602843902 359232566 /nfs/dbraw/zinc/23/25/66/359232566.db2.gz LEGOTHFWKFPEIH-AWEZNQCLSA-N 0 3 310.354 1.375 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](c2nccn2C)C1 ZINC000602796688 359197429 /nfs/dbraw/zinc/19/74/29/359197429.db2.gz RQBIHTCYCTVGNH-LBPRGKRZSA-N 0 3 304.354 1.323 20 5 DDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCN(C)C1CC1 ZINC000186742902 200002523 /nfs/dbraw/zinc/00/25/23/200002523.db2.gz ZXRDWHAKFCYECK-GFCCVEGCSA-N 0 3 320.393 1.948 20 5 DDBDHN Cc1c(NC(=O)CCN2CC[C@H](O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000186922084 200031361 /nfs/dbraw/zinc/03/13/61/200031361.db2.gz ROXWVCJZHQSACB-ABAIWWIYSA-N 0 3 321.377 1.935 20 5 DDBDHN CN(C)CC1(NC(=O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000281068162 216057012 /nfs/dbraw/zinc/05/70/12/216057012.db2.gz MKQJTKSFSKTEIU-UHFFFAOYSA-N 0 3 307.350 1.574 20 5 DDBDHN CN1CCC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000604199322 359725207 /nfs/dbraw/zinc/72/52/07/359725207.db2.gz PRVKXRFVNBBYSD-LBPRGKRZSA-N 0 3 306.366 1.607 20 5 DDBDHN O=[N+]([O-])c1ccc(CNCCCN2CCCS2(=O)=O)cc1 ZINC000609223600 360274504 /nfs/dbraw/zinc/27/45/04/360274504.db2.gz LAFYQPVVQKXVRQ-UHFFFAOYSA-N 0 3 313.379 1.110 20 5 DDBDHN CC(C)(CO)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609845815 360354973 /nfs/dbraw/zinc/35/49/73/360354973.db2.gz GWZLYDVJRBMLPC-UHFFFAOYSA-N 0 3 307.394 1.526 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000610489248 360449949 /nfs/dbraw/zinc/44/99/49/360449949.db2.gz SJSUTGJFUDTYNE-LBPRGKRZSA-N 0 3 309.370 1.019 20 5 DDBDHN CCOc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000610335994 360416151 /nfs/dbraw/zinc/41/61/51/360416151.db2.gz DMASQGNVNNLOQD-AWEZNQCLSA-N 0 3 320.349 1.341 20 5 DDBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H](O)C1CC1 ZINC000610572867 360473301 /nfs/dbraw/zinc/47/33/01/360473301.db2.gz PCWYNLYEAVHLFY-HIFRSBDPSA-N 0 3 310.350 1.037 20 5 DDBDHN CN1CC=C(CNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000271914669 209321480 /nfs/dbraw/zinc/32/14/80/209321480.db2.gz JHQLVIHFYRWFMI-UHFFFAOYSA-N 0 3 304.350 1.385 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(N(C)CCCN2CCN(C)CC2)n1 ZINC000359092701 299326016 /nfs/dbraw/zinc/32/60/16/299326016.db2.gz GOOGIPSJSIYTSW-UHFFFAOYSA-N 0 3 321.425 1.680 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCN(CCOC)C1 ZINC000264603654 204022136 /nfs/dbraw/zinc/02/21/36/204022136.db2.gz NZPABKNCSPSSHY-CQSZACIVSA-N 0 3 323.393 1.804 20 5 DDBDHN C[C@@H](Cn1cccn1)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000264836666 204194875 /nfs/dbraw/zinc/19/48/75/204194875.db2.gz FHIFJVCFYWSKBH-RYUDHWBXSA-N 0 3 317.349 1.797 20 5 DDBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000351251161 284312375 /nfs/dbraw/zinc/31/23/75/284312375.db2.gz GMOQIAAVRLPBOV-QWRGUYRKSA-N 0 3 321.381 1.565 20 5 DDBDHN O=C(CCN[C@H]1CCc2c1cccc2[N+](=O)[O-])N1CCOCC1 ZINC000579494645 422780060 /nfs/dbraw/zinc/78/00/60/422780060.db2.gz VLTBMYIRZNIOOY-AWEZNQCLSA-N 0 3 319.361 1.421 20 5 DDBDHN CC(C)[C@@H](CCO)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274072477 211328810 /nfs/dbraw/zinc/32/88/10/211328810.db2.gz RMMPREQZRSSLOF-NWDGAFQWSA-N 0 3 309.366 1.918 20 5 DDBDHN CC(C)[C@@H](CCO)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000274061203 211318623 /nfs/dbraw/zinc/31/86/23/211318623.db2.gz QIYDQGMHJIIGJF-CQSZACIVSA-N 0 3 309.366 1.554 20 5 DDBDHN NC[C@@H]1c2ccccc2CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000567354081 304214315 /nfs/dbraw/zinc/21/43/15/304214315.db2.gz WLECINZEOHOZEZ-CYBMUJFWSA-N 0 3 300.318 1.621 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCCN([C@@H](C)CO)CC1 ZINC000340859531 251247719 /nfs/dbraw/zinc/24/77/19/251247719.db2.gz AWDODEZJQVPUMY-NSHDSACASA-N 0 3 311.386 1.013 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CCN1C ZINC000340948524 251296407 /nfs/dbraw/zinc/29/64/07/251296407.db2.gz CCDMCSCTGINSIM-DGCLKSJQSA-N 0 3 306.366 1.877 20 5 DDBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000341058943 251361135 /nfs/dbraw/zinc/36/11/35/251361135.db2.gz LQGPPCVYYBMZBX-STQMWFEESA-N 0 3 323.397 1.561 20 5 DDBDHN Cc1nn(C)c(C(=O)NCCN2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000341066154 251365035 /nfs/dbraw/zinc/36/50/35/251365035.db2.gz JNKQKMVXKGHYPJ-GHMZBOCLSA-N 0 3 323.397 1.629 20 5 DDBDHN CNc1nc(C(=O)N(C)CCN2CCCC2)ccc1[N+](=O)[O-] ZINC000455422359 533074994 /nfs/dbraw/zinc/07/49/94/533074994.db2.gz MZIKHSOIANMNRO-UHFFFAOYSA-N 0 3 307.354 1.199 20 5 DDBDHN CCN1CC[C@@H]2OCCN(c3nc(C)cc(C)c3[N+](=O)[O-])[C@@H]2C1 ZINC000338734767 285380890 /nfs/dbraw/zinc/38/08/90/285380890.db2.gz SZHZXKIUGRLADI-KGLIPLIRSA-N 0 3 320.393 1.906 20 5 DDBDHN C[C@@H](N[C@H]1COCC1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451807302 533547657 /nfs/dbraw/zinc/54/76/57/533547657.db2.gz GPHIZSWFNGDIKB-MFKMUULPSA-N 0 3 307.350 1.936 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000068203041 406623162 /nfs/dbraw/zinc/62/31/62/406623162.db2.gz UJBDVVJBXVMRNI-RYUDHWBXSA-N 0 3 323.397 1.336 20 5 DDBDHN COCCOC[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000075953159 406947717 /nfs/dbraw/zinc/94/77/17/406947717.db2.gz QNUFABHOTHLJPT-AWEZNQCLSA-N 0 3 324.377 1.959 20 5 DDBDHN CCOc1ccc([C@H](C)NC[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000090848826 407172873 /nfs/dbraw/zinc/17/28/73/407172873.db2.gz RCOFEKXDVKGTHT-NHYWBVRUSA-N 0 3 310.350 1.796 20 5 DDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@@H]1CSCCN1 ZINC000091136177 407179365 /nfs/dbraw/zinc/17/93/65/407179365.db2.gz QCQFFYBFMWHTSH-GFCCVEGCSA-N 0 3 309.391 1.648 20 5 DDBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000055407109 407203033 /nfs/dbraw/zinc/20/30/33/407203033.db2.gz ZRXVHYRLFMPWOJ-VXGBXAGGSA-N 0 3 309.370 1.028 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000124319656 407354824 /nfs/dbraw/zinc/35/48/24/407354824.db2.gz VTHTYBKRYNZQCH-DGCLKSJQSA-N 0 3 323.397 1.431 20 5 DDBDHN C[C@H]1CCCN(CCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000107632174 407377659 /nfs/dbraw/zinc/37/76/59/407377659.db2.gz NBTYALDRBNCRQO-ZDUSSCGKSA-N 0 3 321.377 1.822 20 5 DDBDHN CN1CCC[C@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000108340210 407384864 /nfs/dbraw/zinc/38/48/64/407384864.db2.gz FHKXVIWLIHAZIB-CYBMUJFWSA-N 0 3 320.393 1.855 20 5 DDBDHN CCOC(=O)N1CC[C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000185791376 407505275 /nfs/dbraw/zinc/50/52/75/407505275.db2.gz MWWXPQJDTBGFAM-LBPRGKRZSA-N 0 3 323.349 1.924 20 5 DDBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000152686075 407668714 /nfs/dbraw/zinc/66/87/14/407668714.db2.gz FNHBWOUICYABKV-CYBMUJFWSA-N 0 3 315.757 1.291 20 5 DDBDHN COC(=O)[C@@H]1CC12CCN(CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000267098762 407746008 /nfs/dbraw/zinc/74/60/08/407746008.db2.gz SRXHGUKFWSJMRP-NSHDSACASA-N 0 3 308.338 1.066 20 5 DDBDHN C[C@H](NC[C@@H](O)COC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000180406992 407886165 /nfs/dbraw/zinc/88/61/65/407886165.db2.gz WNUGVRXXYDAIKT-SWLSCSKDSA-N 0 3 324.377 1.802 20 5 DDBDHN O=C(C[C@H]1CSCCN1)NCCNc1ccccc1[N+](=O)[O-] ZINC000238087236 407887874 /nfs/dbraw/zinc/88/78/74/407887874.db2.gz ZTXZDEPBQPXIJI-NSHDSACASA-N 0 3 324.406 1.218 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000268253005 407969852 /nfs/dbraw/zinc/96/98/52/407969852.db2.gz XGELCMDOAKECKZ-NHYWBVRUSA-N 0 3 319.361 1.573 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@]2(CCOC2)C1 ZINC000181992865 408062997 /nfs/dbraw/zinc/06/29/97/408062997.db2.gz SEJHFPFMMJRKGZ-CJNGLKHVSA-N 0 3 322.361 1.447 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000119705984 408102223 /nfs/dbraw/zinc/10/22/23/408102223.db2.gz GPFDVGZTEISBTE-LLVKDONJSA-N 0 3 307.354 1.029 20 5 DDBDHN COC(=O)[C@]1(C)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246221500 408183044 /nfs/dbraw/zinc/18/30/44/408183044.db2.gz DPESEKAWIDKYPG-UKRRQHHQSA-N 0 3 308.334 1.513 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CCC[C@H]2CN(C)C)c1[N+](=O)[O-] ZINC000269445292 408312630 /nfs/dbraw/zinc/31/26/30/408312630.db2.gz QIKWCFCULXJNDL-JTQLQIEISA-N 0 3 309.370 1.608 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2CN(C)C)c1[N+](=O)[O-] ZINC000269445292 408312633 /nfs/dbraw/zinc/31/26/33/408312633.db2.gz QIKWCFCULXJNDL-JTQLQIEISA-N 0 3 309.370 1.608 20 5 DDBDHN Cc1c(C(=O)N(C)CCN(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000176389734 408354495 /nfs/dbraw/zinc/35/44/95/408354495.db2.gz DTCGKQMQKCBHNP-UHFFFAOYSA-N 0 3 324.337 1.753 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177033673 408502957 /nfs/dbraw/zinc/50/29/57/408502957.db2.gz SMCLSNVZAAOGAC-RYUDHWBXSA-N 0 3 318.377 1.748 20 5 DDBDHN CCN(CCO)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000183963755 408519660 /nfs/dbraw/zinc/51/96/60/408519660.db2.gz QRWPKBDTKIRICS-UHFFFAOYSA-N 0 3 315.757 1.292 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177128949 408526921 /nfs/dbraw/zinc/52/69/21/408526921.db2.gz KQFOATOKPVTRCR-WCQYABFASA-N 0 3 303.362 1.879 20 5 DDBDHN COc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000177130323 408527158 /nfs/dbraw/zinc/52/71/58/408527158.db2.gz DECHSJVQDGHIHW-ZYHUDNBSSA-N 0 3 319.361 1.958 20 5 DDBDHN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCN1C[C@H](C)O ZINC000247438234 408471331 /nfs/dbraw/zinc/47/13/31/408471331.db2.gz ZLMUXWNHUOOKLZ-DZGCQCFKSA-N 0 3 307.394 1.872 20 5 DDBDHN CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000270533929 408566483 /nfs/dbraw/zinc/56/64/83/408566483.db2.gz VXJKFLUFXKVOHZ-OLZOCXBDSA-N 0 3 309.391 1.712 20 5 DDBDHN COc1cccc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000192690337 408631449 /nfs/dbraw/zinc/63/14/49/408631449.db2.gz CVCKGRKQBODRJU-MNOVXSKESA-N 0 3 319.361 1.958 20 5 DDBDHN C[C@H](C(=O)N1CC[C@H](N(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185181818 408775998 /nfs/dbraw/zinc/77/59/98/408775998.db2.gz JKVPEECIOBHJNJ-JQWIXIFHSA-N 0 3 309.341 2.000 20 5 DDBDHN CN(C)CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000281447614 408886426 /nfs/dbraw/zinc/88/64/26/408886426.db2.gz HQAUQSNWKMRDCY-UHFFFAOYSA-N 0 3 313.379 1.357 20 5 DDBDHN CN(C)CCOCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000226265621 163335576 /nfs/dbraw/zinc/33/55/76/163335576.db2.gz CUQDUBIACQWDBC-UHFFFAOYSA-N 0 3 315.757 1.556 20 5 DDBDHN Cc1c(C(=O)N[C@@H](C)CN(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000287309182 409017532 /nfs/dbraw/zinc/01/75/32/409017532.db2.gz WCCNUTMUVSSOSQ-QMMMGPOBSA-N 0 3 310.310 1.491 20 5 DDBDHN CCN1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293999176 409223352 /nfs/dbraw/zinc/22/33/52/409223352.db2.gz XEPFMWCKHRBWAD-LSDHHAIUSA-N 0 3 319.361 1.530 20 5 DDBDHN CO[C@@]1(C)CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000279391107 409204947 /nfs/dbraw/zinc/20/49/47/409204947.db2.gz UHCKQMIWIBKABR-BBRMVZONSA-N 0 3 324.377 1.835 20 5 DDBDHN C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000295273009 409410157 /nfs/dbraw/zinc/41/01/57/409410157.db2.gz GZDQYZMAITWICJ-LLVKDONJSA-N 0 3 318.377 1.733 20 5 DDBDHN CN1CCC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000408371887 164310613 /nfs/dbraw/zinc/31/06/13/164310613.db2.gz FXHIXPCNCAHPPI-LBPRGKRZSA-N 0 3 307.354 1.049 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000342471210 409659500 /nfs/dbraw/zinc/65/95/00/409659500.db2.gz WUPHNLZKBSKSRV-QMTHXVAHSA-N 0 3 319.361 1.816 20 5 DDBDHN Cn1nccc1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331583368 409661692 /nfs/dbraw/zinc/66/16/92/409661692.db2.gz JXSPGIIVHCIEDI-OLZOCXBDSA-N 0 3 304.354 1.798 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000342474128 409663120 /nfs/dbraw/zinc/66/31/20/409663120.db2.gz NKYCPKNBIQTKAA-YMTOWFKASA-N 0 3 307.325 1.946 20 5 DDBDHN COC[C@@H](C)OC[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296870134 409680891 /nfs/dbraw/zinc/68/08/91/409680891.db2.gz ZMVNOKNCWLRJBS-TYNCELHUSA-N 0 3 312.366 1.658 20 5 DDBDHN C[C@@H]1[C@H](C)N(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000357005053 409783914 /nfs/dbraw/zinc/78/39/14/409783914.db2.gz QQQNWFUNWPLTET-VNHYZAJKSA-N 0 3 323.393 1.359 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCN2CCC(OCCO)CC2)cc1 ZINC000339781860 410455600 /nfs/dbraw/zinc/45/56/00/410455600.db2.gz NAEQABUOBFVLRN-UHFFFAOYSA-N 0 3 310.350 1.447 20 5 DDBDHN Cn1nncc1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000352599016 410671079 /nfs/dbraw/zinc/67/10/79/410671079.db2.gz XDNONBZCJCEUSE-VXGBXAGGSA-N 0 3 305.342 1.193 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343851580 410746126 /nfs/dbraw/zinc/74/61/26/410746126.db2.gz DMPRQEQLFFAHNJ-OCCSQVGLSA-N 0 3 320.393 1.919 20 5 DDBDHN CNC(=O)c1ccc(N(C)[C@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301430491 410720162 /nfs/dbraw/zinc/72/01/62/410720162.db2.gz QEUQLFADGMXJQH-AAEUAGOBSA-N 0 3 320.393 1.873 20 5 DDBDHN C[C@@H]1CC(C)(C)C[C@](CO)(NCc2c([N+](=O)[O-])ncn2C)C1 ZINC000331125932 410965461 /nfs/dbraw/zinc/96/54/61/410965461.db2.gz NPDKSXMOPTYCFL-IAQYHMDHSA-N 0 3 310.398 1.995 20 5 DDBDHN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)c1ccccc1 ZINC000356473243 411048824 /nfs/dbraw/zinc/04/88/24/411048824.db2.gz DCQZQWFHEOJJFE-CYBMUJFWSA-N 0 3 317.349 1.361 20 5 DDBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356448571 411037016 /nfs/dbraw/zinc/03/70/16/411037016.db2.gz RVVFLJZOBNDURV-LLVKDONJSA-N 0 3 323.397 1.569 20 5 DDBDHN CCN1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000331435067 411089185 /nfs/dbraw/zinc/08/91/85/411089185.db2.gz JLZJGEJIBFFVQJ-UHFFFAOYSA-N 0 3 309.370 1.081 20 5 DDBDHN Cc1c(C(=O)NCCN(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000131259172 196154104 /nfs/dbraw/zinc/15/41/04/196154104.db2.gz GNHPYKCJAAMJHB-UHFFFAOYSA-N 0 3 310.310 1.411 20 5 DDBDHN CCN1CCN(CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000132519131 196262863 /nfs/dbraw/zinc/26/28/63/196262863.db2.gz CWOMXMHCSYZSKA-UHFFFAOYSA-N 0 3 324.356 1.101 20 5 DDBDHN Cc1c(NC(=O)[C@H](C)N[C@H](C)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000295865128 225325322 /nfs/dbraw/zinc/32/53/22/225325322.db2.gz YNAJFPUBUHREQJ-WCQGTBRESA-N 0 3 309.366 1.837 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCC[NH2+][C@H]1C ZINC000189319076 292588195 /nfs/dbraw/zinc/58/81/95/292588195.db2.gz PQPVBKWXGJTHHI-QWRGUYRKSA-N 0 3 313.379 1.322 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](N3CCCCC3)C2)n1 ZINC000367396611 418596943 /nfs/dbraw/zinc/59/69/43/418596943.db2.gz LUZUTSBSCUFTKL-GFCCVEGCSA-N 0 3 321.381 1.419 20 5 DDBDHN CN1CCC[C@H](N2CCN(c3ncc([N+](=O)[O-])s3)CC2)C1 ZINC000375590788 418659215 /nfs/dbraw/zinc/65/92/15/418659215.db2.gz JJSTYWYIFIFHHD-NSHDSACASA-N 0 3 311.411 1.268 20 5 DDBDHN N[C@H]1Cc2ccccc2N(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000424080589 228225761 /nfs/dbraw/zinc/22/57/61/228225761.db2.gz ULNCIKNPHGKYLK-LBPRGKRZSA-N 0 3 315.333 1.098 20 5 DDBDHN COc1ccc(OCCN2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000426265344 419426764 /nfs/dbraw/zinc/42/67/64/419426764.db2.gz UMAHFLHOLTWGIN-LBPRGKRZSA-N 0 3 310.350 1.829 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@@H]1CCCN1C ZINC000420997581 419431379 /nfs/dbraw/zinc/43/13/79/419431379.db2.gz HGYTVQDGUIUGRL-AWEZNQCLSA-N 0 3 320.393 1.868 20 5 DDBDHN CO[C@](C)([C@H](C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000411961721 419523310 /nfs/dbraw/zinc/52/33/10/419523310.db2.gz ARYAVSIGVZATJT-MGPLVRAMSA-N 0 3 321.377 1.987 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000421857719 419751143 /nfs/dbraw/zinc/75/11/43/419751143.db2.gz CBWVXOGFQMIDPH-HNNXBMFYSA-N 0 3 307.350 1.008 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCOC[C@H]1C ZINC000433154689 229163307 /nfs/dbraw/zinc/16/33/07/229163307.db2.gz UJHCTEAZHQYVQN-VXGBXAGGSA-N 0 3 307.350 1.856 20 5 DDBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@@H]1CNCCC1(F)F ZINC000415632683 420130589 /nfs/dbraw/zinc/13/05/89/420130589.db2.gz OZAUDQCYSPOUCN-SNVBAGLBSA-N 0 3 318.255 1.853 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCNC[C@@](C)(F)C1 ZINC000420324040 420208865 /nfs/dbraw/zinc/20/88/65/420208865.db2.gz ANYKXMZWBUXHDL-OAHLLOKOSA-N 0 3 324.356 1.475 20 5 DDBDHN O=[N+]([O-])c1cnc2ccc(NC[C@H]3CCCCN3C3CC3)nn21 ZINC000433807536 420255177 /nfs/dbraw/zinc/25/51/77/420255177.db2.gz IHFIIOWOFJLRIC-GFCCVEGCSA-N 0 3 316.365 2.066 20 5 DDBDHN NC(=O)c1cccc([N+](=O)[O-])c1N1CC[C@@H](N2CCCCC2)C1 ZINC000420606606 420329284 /nfs/dbraw/zinc/32/92/84/420329284.db2.gz XRUSEPAUIOJOGJ-GFCCVEGCSA-N 0 3 318.377 1.758 20 5 DDBDHN CC(C)N1CC[C@H](N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000457084330 420606240 /nfs/dbraw/zinc/60/62/40/420606240.db2.gz GPBFFBBJDWYZRO-NSHDSACASA-N 0 3 306.366 1.732 20 5 DDBDHN CC(C)N1CC[C@@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000450957341 420570040 /nfs/dbraw/zinc/57/00/40/420570040.db2.gz UESGXLNEGPUQLI-SNVBAGLBSA-N 0 3 307.354 1.008 20 5 DDBDHN CCc1nn(C)c(NCCN2CCN(C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000440671619 420595969 /nfs/dbraw/zinc/59/59/69/420595969.db2.gz HIMTVKJSQTZGEY-UHFFFAOYSA-N 0 3 324.429 1.329 20 5 DDBDHN CN(C)CCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447808305 420804368 /nfs/dbraw/zinc/80/43/68/420804368.db2.gz WGAUVBRLMZXLQE-UHFFFAOYSA-N 0 3 308.382 1.401 20 5 DDBDHN O=[N+]([O-])c1cnn(CCNCc2ccnn2-c2ccccc2)c1 ZINC000447894100 420811915 /nfs/dbraw/zinc/81/19/15/420811915.db2.gz BXHXPQAXRWGNKY-UHFFFAOYSA-N 0 3 312.333 1.767 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000493524276 420872467 /nfs/dbraw/zinc/87/24/67/420872467.db2.gz OYGBROONABWOPQ-FWQWQBSGSA-N 0 3 319.336 1.910 20 5 DDBDHN CNc1nc(C(=O)N[C@H]2CCCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000456017551 421089345 /nfs/dbraw/zinc/08/93/45/421089345.db2.gz ZBKHHBNCDGUFIE-UWVGGRQHSA-N 0 3 307.354 1.244 20 5 DDBDHN CC(COC(=O)CN(C(=O)OC(C)(C)C)C1CC1)[N+](=O)[O-] ZINC000496497430 421264395 /nfs/dbraw/zinc/26/43/95/421264395.db2.gz YEZSUKCAOGQNGU-VIFPVBQESA-N 0 3 302.327 1.594 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCN(CC2CCC2)CC1 ZINC000518122652 421641117 /nfs/dbraw/zinc/64/11/17/421641117.db2.gz NIGCJXWKHJZQDH-UHFFFAOYSA-N 0 3 321.381 1.276 20 5 DDBDHN C[C@H](CN1CCN(C)CC1)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572422984 421786904 /nfs/dbraw/zinc/78/69/04/421786904.db2.gz NYKVOLPWCDIQIX-CZUORRHYSA-N 0 3 318.421 1.808 20 5 DDBDHN CC(C)(C)N1CC[C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000596305781 422373676 /nfs/dbraw/zinc/37/36/76/422373676.db2.gz AIOGMCZJIJTZIU-SNVBAGLBSA-N 0 3 304.354 1.922 20 5 DDBDHN CC[C@]1(O)CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000602983366 422440606 /nfs/dbraw/zinc/44/06/06/422440606.db2.gz IWZIWTXEPXHMNH-CJNGLKHVSA-N 0 3 324.377 1.571 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000578414153 422563648 /nfs/dbraw/zinc/56/36/48/422563648.db2.gz WDIHLJMVBLHWRS-RISCZKNCSA-N 0 3 305.334 1.136 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@]23CCOC3)c1 ZINC000341978022 271265461 /nfs/dbraw/zinc/26/54/61/271265461.db2.gz XFMBTZBXLBURAG-GDBMZVCRSA-N 0 3 322.361 1.589 20 5 DDBDHN CN1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000342014080 271275111 /nfs/dbraw/zinc/27/51/11/271275111.db2.gz YJDQXTLWROFJES-UHFFFAOYSA-N 0 3 303.322 1.787 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2N(C)CCCC2(C)C)n1 ZINC000344645091 272077799 /nfs/dbraw/zinc/07/77/99/272077799.db2.gz CNYCURFUMVGPOU-LLVKDONJSA-N 0 3 309.370 1.179 20 5 DDBDHN [NH3+]C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000089107836 279649803 /nfs/dbraw/zinc/64/98/03/279649803.db2.gz BARMNQQPICTCSS-MNOVXSKESA-N 0 3 313.379 1.391 20 5 DDBDHN CC(C)OC[C@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365890185 300603641 /nfs/dbraw/zinc/60/36/41/300603641.db2.gz ZLAJYLUMYXUUPE-CYBMUJFWSA-N 0 3 312.370 1.214 20 5 DDBDHN O=C1CC[C@@H](NCc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C2CC2)N1 ZINC000368501062 301042260 /nfs/dbraw/zinc/04/22/60/301042260.db2.gz ZPULKHCNVIASRR-IUODEOHRSA-N 0 3 307.325 1.881 20 5 DDBDHN Cc1c(CC(=O)N(CCN(C)C)C2CC2)cccc1[N+](=O)[O-] ZINC000356290701 306846681 /nfs/dbraw/zinc/84/66/81/306846681.db2.gz CPXLHXNSDSGWBO-UHFFFAOYSA-N 0 3 305.378 1.998 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(CC[C@H]3CCOC3)CC2)cn1 ZINC000525865051 302916463 /nfs/dbraw/zinc/91/64/63/302916463.db2.gz NRSCNFGZEQEVHG-ZDUSSCGKSA-N 0 3 306.366 1.538 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCCCN1CCN(C)CC1 ZINC000530473696 303198660 /nfs/dbraw/zinc/19/86/60/303198660.db2.gz BFMSHKDQPALAKL-UHFFFAOYSA-N 0 3 324.429 1.559 20 5 DDBDHN NC(=O)c1cccc([N+](=O)[O-])c1N1CCC[C@@H](N2CCCC2)C1 ZINC000420589978 303347775 /nfs/dbraw/zinc/34/77/75/303347775.db2.gz UUCBADTZKPTJKQ-GFCCVEGCSA-N 0 3 318.377 1.758 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](C[C@@H]3CCOC3)C2)n1 ZINC000373142415 307180439 /nfs/dbraw/zinc/18/04/39/307180439.db2.gz TWHLPVPDYYFKIS-KGLIPLIRSA-N 0 3 308.382 1.930 20 5 DDBDHN COC(=O)[C@@]12CCC[C@H]1CN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC000374695379 307211851 /nfs/dbraw/zinc/21/18/51/307211851.db2.gz FNIMJXROSTXSGG-SMDDNHRTSA-N 0 3 308.338 1.066 20 5 DDBDHN Cn1ccc(N2CC[C@H](NCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000375792476 307231610 /nfs/dbraw/zinc/23/16/10/307231610.db2.gz MWGJQFCDHXHOBB-ZDUSSCGKSA-N 0 3 301.350 1.697 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H](O)C[C@@H]3CO)o2)cc1 ZINC000376897809 307258257 /nfs/dbraw/zinc/25/82/57/307258257.db2.gz STXIZYIYLVVILL-ZIAGYGMSSA-N 0 3 318.329 1.782 20 5 DDBDHN O=C1NC[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])CC[C@H]12 ZINC000377683738 307275822 /nfs/dbraw/zinc/27/58/22/307275822.db2.gz UZVIEAWEUMLMOZ-NEPJUHHUSA-N 0 3 305.334 1.042 20 5 DDBDHN COC[C@@H](C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000526115924 307493448 /nfs/dbraw/zinc/49/34/48/307493448.db2.gz IYZUTEYEIKOAOE-NSHDSACASA-N 0 3 316.379 1.241 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN([C@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000538743385 307676828 /nfs/dbraw/zinc/67/68/28/307676828.db2.gz AHMXLJKDFCTQQV-KBPBESRZSA-N 0 3 306.366 1.415 20 5 DDBDHN COc1cc(CNCCC2CC(O)C2)c([N+](=O)[O-])cc1OC ZINC000432368480 533873406 /nfs/dbraw/zinc/87/34/06/533873406.db2.gz QHFKGPPYXCBHKJ-UHFFFAOYSA-N 0 3 310.350 1.863 20 5 DDBDHN C[C@@H](CO)[C@H](C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295877186 534146359 /nfs/dbraw/zinc/14/63/59/534146359.db2.gz ZLTYKRRZFOLWKI-IUCAKERBSA-N 0 3 315.757 1.793 20 5 DDBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(C2CC2)C1 ZINC000491561349 534776176 /nfs/dbraw/zinc/77/61/76/534776176.db2.gz JRXKHSIFJNDSNL-UTPRNQHHSA-N 0 3 301.346 1.961 20 5 DDBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCC[N@H+](C)C1 ZINC000736856695 599119786 /nfs/dbraw/zinc/11/97/86/599119786.db2.gz LZJVAEODYQMBCM-LLVKDONJSA-N 0 3 317.353 1.305 20 5 DDBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCC[N@@H+](C)C1 ZINC000736856695 599119788 /nfs/dbraw/zinc/11/97/88/599119788.db2.gz LZJVAEODYQMBCM-LLVKDONJSA-N 0 3 317.353 1.305 20 5 DDBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCC[N@H+](C)C1 ZINC000736856695 599119791 /nfs/dbraw/zinc/11/97/91/599119791.db2.gz LZJVAEODYQMBCM-LLVKDONJSA-N 0 3 317.353 1.305 20 5 DDBDHN CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCC[N@@H+](C)C1 ZINC000736856695 599119794 /nfs/dbraw/zinc/11/97/94/599119794.db2.gz LZJVAEODYQMBCM-LLVKDONJSA-N 0 3 317.353 1.305 20 5 DDBDHN O=C(NCCN1CCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000072634309 696395216 /nfs/dbraw/zinc/39/52/16/696395216.db2.gz KOJPAVPBEKUFMW-UHFFFAOYSA-N 0 3 308.294 1.329 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2noc(C[C@H]3CSCCN3)n2)cc1 ZINC000091128913 696585862 /nfs/dbraw/zinc/58/58/62/696585862.db2.gz SIZHONXOBFNRIL-JTQLQIEISA-N 0 3 306.347 1.892 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000776587137 698122598 /nfs/dbraw/zinc/12/25/98/698122598.db2.gz ULYPECVAELXWFB-RRFJBIMHSA-N 0 3 324.402 1.835 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@@H](O)c1ccco1 ZINC000783910602 698891331 /nfs/dbraw/zinc/89/13/31/698891331.db2.gz WFUMKVQBGDWYTD-WCQYABFASA-N 0 3 322.317 1.251 20 5 DDBDHN CN(C)C[C@@H](CO)Nc1cccc(Br)c1[N+](=O)[O-] ZINC000716782150 699284737 /nfs/dbraw/zinc/28/47/37/699284737.db2.gz JUYDVJKPVHMIJN-QMMMGPOBSA-N 0 3 318.171 1.692 20 5 DDBDHN Cc1nn(C)c(NC2CCN(C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000725787762 699333943 /nfs/dbraw/zinc/33/39/43/699333943.db2.gz MMBGPQPFXXMTIN-CYBMUJFWSA-N 0 3 323.397 1.692 20 5 DDBDHN COC[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000789384749 699383289 /nfs/dbraw/zinc/38/32/89/699383289.db2.gz ZQDOITRPNQAWHQ-SOUVJXGZSA-N 0 3 310.350 1.412 20 5 DDBDHN CN1CC[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000729681860 699484788 /nfs/dbraw/zinc/48/47/88/699484788.db2.gz LIZCFPPYOMBUBT-JTQLQIEISA-N 0 3 301.293 1.990 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCCCC2)n1 ZINC000756814432 700642275 /nfs/dbraw/zinc/64/22/75/700642275.db2.gz ZMMBLZKWJJYLGL-LLVKDONJSA-N 0 3 309.370 1.415 20 5 DDBDHN CCN(CC)C(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813107487 702294073 /nfs/dbraw/zinc/29/40/73/702294073.db2.gz QYJODDVAIXKTMN-LLVKDONJSA-N 0 3 308.334 1.991 20 5 DDBDHN Cc1nc(COc2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)no1 ZINC000813112996 702297885 /nfs/dbraw/zinc/29/78/85/702297885.db2.gz NKRQPBZRESGPAX-SECBINFHSA-N 0 3 321.289 1.779 20 5 DDBDHN Cc1nc(COc2ccccc2C(=O)OCC(C)[N+](=O)[O-])no1 ZINC000813112630 702298341 /nfs/dbraw/zinc/29/83/41/702298341.db2.gz RVTXFPSGJQKCIN-SECBINFHSA-N 0 3 321.289 1.779 20 5 DDBDHN CC(COC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O)[N+](=O)[O-] ZINC000813114500 702299489 /nfs/dbraw/zinc/29/94/89/702299489.db2.gz RTUVUCMBHVIFJP-JOYOIKCWSA-N 0 3 310.281 1.387 20 5 DDBDHN CC(COC(=O)c1ccc(C(=O)OC(C)(C)C)cn1)[N+](=O)[O-] ZINC000842802153 702776514 /nfs/dbraw/zinc/77/65/14/702776514.db2.gz RIPBKAHKKFCKEO-SECBINFHSA-N 0 3 310.306 1.859 20 5 DDBDHN COCCN(C)CCNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843786249 702923661 /nfs/dbraw/zinc/92/36/61/702923661.db2.gz SQFVFYYCBNTAKX-UHFFFAOYSA-N 0 3 313.329 1.350 20 5 DDBDHN C[C@H](COC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)N1CCCCC1 ZINC000847960860 703487464 /nfs/dbraw/zinc/48/74/64/703487464.db2.gz PEUISYRFDIGRJJ-GFCCVEGCSA-N 0 3 324.381 1.944 20 5 DDBDHN O=[N+]([O-])c1cnn(CCNC[C@H](O)c2ccc(F)cc2F)c1 ZINC000819177852 704082259 /nfs/dbraw/zinc/08/22/59/704082259.db2.gz XGMCLVWVCDGJLC-ZDUSSCGKSA-N 0 3 312.276 1.393 20 5 DDBDHN O=C(CN1CCCC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000820082705 704218305 /nfs/dbraw/zinc/21/83/05/704218305.db2.gz JHFZFLGUILXNGZ-LBPRGKRZSA-N 0 3 319.365 1.098 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCOC2(CNC2)C1 ZINC000853245881 704223942 /nfs/dbraw/zinc/22/39/42/704223942.db2.gz OVXHNHFUBSDMCG-UHFFFAOYSA-N 0 3 311.725 1.063 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874827075 705185391 /nfs/dbraw/zinc/18/53/91/705185391.db2.gz AXDOFSOVTYSJAD-KBPBESRZSA-N 0 3 319.361 1.912 20 5 DDBDHN CC(COC(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21)[N+](=O)[O-] ZINC000860777575 705279839 /nfs/dbraw/zinc/27/98/39/705279839.db2.gz QSAWICMQTXXJBF-JGVFFNPUSA-N 0 3 321.255 1.988 20 5 DDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000863032900 705852608 /nfs/dbraw/zinc/85/26/08/705852608.db2.gz QVVATGIPHMILRV-LLVKDONJSA-N 0 3 319.365 1.319 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000877719024 706188002 /nfs/dbraw/zinc/18/80/02/706188002.db2.gz DCBGCJCZTBBMIM-BETUJISGSA-N 0 3 317.345 1.258 20 5 DDBDHN CN(CCNc1ccc([N+](=O)[O-])cc1Cl)CCOCCO ZINC000882952081 707868373 /nfs/dbraw/zinc/86/83/73/707868373.db2.gz HXXDLWBEJKEYIZ-UHFFFAOYSA-N 0 3 317.773 1.601 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCCN3CCO)c1 ZINC000897218134 708256415 /nfs/dbraw/zinc/25/64/15/708256415.db2.gz BCLCBHKBTOAKAM-ZIAGYGMSSA-N 0 3 321.377 1.639 20 5 DDBDHN COc1c(O)ccc(CN2CCN(C3CCC3)CC2)c1[N+](=O)[O-] ZINC000892038894 710358198 /nfs/dbraw/zinc/35/81/98/710358198.db2.gz JNUUOMDJXMKZGZ-UHFFFAOYSA-N 0 3 321.377 1.979 20 5 DDBDHN C[C@H]1[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCN1C ZINC000895737876 711591221 /nfs/dbraw/zinc/59/12/21/711591221.db2.gz GDCHUZWKTVPIMR-GXSJLCMTSA-N 0 3 304.350 1.984 20 5 DDBDHN COc1cccc(C(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)c1[N+](=O)[O-] ZINC000923268988 714291000 /nfs/dbraw/zinc/29/10/00/714291000.db2.gz ISIYLWPUAARCTN-NEPJUHHUSA-N 0 3 319.361 1.912 20 5 DDBDHN CCC1(CC)CNC(=O)[C@@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000933290181 714555418 /nfs/dbraw/zinc/55/54/18/714555418.db2.gz PGLPNGKWWZREKT-AWEZNQCLSA-N 0 3 321.377 1.868 20 5 DDBDHN COc1ccc(OCCN2[C@H](C)CC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001197334913 747141306 /nfs/dbraw/zinc/14/13/06/747141306.db2.gz FGFWJJPFGLPOGG-VXGBXAGGSA-N 0 3 310.350 1.827 20 5 DDBDHN CCN(CC)CC(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001100121373 761912818 /nfs/dbraw/zinc/91/28/18/761912818.db2.gz VWACQFCMGIZDQH-UHFFFAOYSA-N 0 3 308.382 1.489 20 5 DDBDHN CCCN(C)CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cn1 ZINC001107280247 749726229 /nfs/dbraw/zinc/72/62/29/749726229.db2.gz KCPOKOSXAZUPNK-SNAWJCMRSA-N 0 3 321.381 1.416 20 5 DDBDHN Cc1nocc1CN1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001005376255 749917055 /nfs/dbraw/zinc/91/70/55/749917055.db2.gz RFPMHFLFBZUJOT-ZIAGYGMSSA-N 0 3 322.365 1.071 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCC1CCN(C(=O)C2CC2)CC1 ZINC000997459011 750938643 /nfs/dbraw/zinc/93/86/43/750938643.db2.gz NMFXTFKCTLZDMT-UHFFFAOYSA-N 0 3 321.381 1.067 20 5 DDBDHN COC(=O)c1cc(C)nc(-n2ccc([C@H](C)N)n2)c1[N+](=O)[O-] ZINC001169230729 762292200 /nfs/dbraw/zinc/29/22/00/762292200.db2.gz BBOBPQXXXOJWBJ-QMMMGPOBSA-N 0 3 305.294 1.290 20 5 DDBDHN NCc1cn(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)cn1 ZINC001154907132 759444227 /nfs/dbraw/zinc/44/42/27/759444227.db2.gz VZWZSTNVPATZII-UHFFFAOYSA-N 0 3 303.656 1.896 20 5 DDBDHN C[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170576262 768249387 /nfs/dbraw/zinc/24/93/87/768249387.db2.gz ZOOUQTOLUYAFDI-QMTHXVAHSA-N 0 3 302.334 1.932 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccsn1 ZINC001130095631 767258529 /nfs/dbraw/zinc/25/85/29/767258529.db2.gz MGYIBSBXGJFWKA-UHFFFAOYSA-N 0 3 306.347 1.571 20 5 DDBDHN CCN(CC)CC(=O)N(C)CCNc1ccc([N+](=O)[O-])cn1 ZINC001101628408 777322920 /nfs/dbraw/zinc/32/29/20/777322920.db2.gz HMXWCZYHVRSSOQ-UHFFFAOYSA-N 0 3 309.370 1.202 20 5 DDBDHN Cn1ccc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)n1 ZINC001176072108 778011241 /nfs/dbraw/zinc/01/12/41/778011241.db2.gz LMAGLAYHIOMRPM-UHFFFAOYSA-N 0 3 323.378 1.300 20 5 DDBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cnccn1 ZINC001266629395 836560840 /nfs/dbraw/zinc/56/08/40/836560840.db2.gz CDAMBQHLTUASFS-UHFFFAOYSA-N 0 3 315.333 1.247 20 5 DDBDHN Cc1nn(C)cc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001124960104 859856225 /nfs/dbraw/zinc/85/62/25/859856225.db2.gz ATGUKVUNYRIWTJ-UHFFFAOYSA-N 0 3 317.349 1.156 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC001154144382 864447557 /nfs/dbraw/zinc/44/75/57/864447557.db2.gz GHFVGOPMZOUPNO-UHFFFAOYSA-N 0 3 314.345 1.900 20 5 DDBDHN COC(=O)COc1c(C)cc(-n2cnc(CN)c2)cc1[N+](=O)[O-] ZINC001162304583 867429569 /nfs/dbraw/zinc/42/95/69/867429569.db2.gz NMSLJULXPJTOOJ-UHFFFAOYSA-N 0 3 320.305 1.099 20 5 DDBDHN CN(CCO)CCN(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001335071950 868044143 /nfs/dbraw/zinc/04/41/43/868044143.db2.gz ITSCSYBEJBUKMM-UHFFFAOYSA-N 0 3 321.299 1.974 20 5 DDBDHN CCOC(=O)COCCN(C)CCc1ccccc1[N+](=O)[O-] ZINC001307761184 871452886 /nfs/dbraw/zinc/45/28/86/871452886.db2.gz PUGZOFYSDSKYNC-UHFFFAOYSA-N 0 3 310.350 1.649 20 5 DDBDHN CNc1ccc(C(=O)N2[C@H](C)CN[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC001341769589 871816260 /nfs/dbraw/zinc/81/62/60/871816260.db2.gz ZVXBVUKNMQYLBK-VWYCJHECSA-N 0 3 306.366 1.847 20 5 DDBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CNCCO1 ZINC001343673770 872712063 /nfs/dbraw/zinc/71/20/63/872712063.db2.gz QJSOQBSHWNWCIZ-SNVBAGLBSA-N 0 3 311.363 1.035 20 5 DDBDHN CN(CCCNC(=O)C(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001231018010 885138948 /nfs/dbraw/zinc/13/89/48/885138948.db2.gz OTWUWRIZGWTJGA-UHFFFAOYSA-N 0 3 301.293 1.798 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCC(N3CC4(COC4)C3)CC2)cc1 ZINC001254477016 896455792 /nfs/dbraw/zinc/45/57/92/896455792.db2.gz ZQAZBXXTCFPJGP-UHFFFAOYSA-N 0 3 303.362 1.896 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCO[C@@H](CN(C)C)C1 ZINC001254552451 896499501 /nfs/dbraw/zinc/49/95/01/896499501.db2.gz MDEZVKHMQDVBSU-ZFWWWQNUSA-N 0 3 307.394 1.788 20 5 DDBDHN CC(=O)N(C)[C@H]1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611678 896532930 /nfs/dbraw/zinc/53/29/30/896532930.db2.gz QZEULWTXESPNMS-JKSUJKDBSA-N 0 3 303.362 1.615 20 5 DDBDHN CCC[C@@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015323 185278453 /nfs/dbraw/zinc/27/84/53/185278453.db2.gz MNTFJVYNIWFZAK-LLVKDONJSA-N 0 3 315.395 1.651 20 5 DDBDHN CCO[C@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000090550319 185302282 /nfs/dbraw/zinc/30/22/82/185302282.db2.gz SVLIWMZTHGHALV-KGLIPLIRSA-N 0 3 323.393 1.892 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000330895788 232146250 /nfs/dbraw/zinc/14/62/50/232146250.db2.gz GJWAYHMYYYVHRG-VXGBXAGGSA-N 0 3 307.350 1.573 20 5 DDBDHN C[C@H](CN1CCOCC1)N(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000279785211 215143520 /nfs/dbraw/zinc/14/35/20/215143520.db2.gz UWXOSIBUIBNCBP-CJNGLKHVSA-N 0 3 323.393 1.281 20 5 DDBDHN COC(=O)c1cc(C(=O)N(C)CCN(C)C)cc([N+](=O)[O-])c1 ZINC000080390448 192155212 /nfs/dbraw/zinc/15/52/12/192155212.db2.gz NEAQCDKYEIXNTQ-UHFFFAOYSA-N 0 3 309.322 1.015 20 5 DDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139631411 186023151 /nfs/dbraw/zinc/02/31/51/186023151.db2.gz LZKHTXHSYXCOFY-ZDUSSCGKSA-N 0 3 315.757 1.291 20 5 DDBDHN COCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000152404410 186069409 /nfs/dbraw/zinc/06/94/09/186069409.db2.gz IUHZZWMLGGKCRB-UHFFFAOYSA-N 0 3 309.366 1.601 20 5 DDBDHN C[C@@H]1NCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000262878750 186317926 /nfs/dbraw/zinc/31/79/26/186317926.db2.gz VTGJMIGOQKKTDW-RYUDHWBXSA-N 0 3 306.366 1.240 20 5 DDBDHN C[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(C)C ZINC000033092951 352288443 /nfs/dbraw/zinc/28/84/43/352288443.db2.gz BRZWZHKLYZWGAN-GFCCVEGCSA-N 0 3 320.393 1.875 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCn3cccn3)C2)nc1 ZINC000072665272 191211434 /nfs/dbraw/zinc/21/14/34/191211434.db2.gz PRXSNYSNMXZKBT-LBPRGKRZSA-N 0 3 302.338 1.373 20 5 DDBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(C2CC2)C1 ZINC000057553462 352820229 /nfs/dbraw/zinc/82/02/29/352820229.db2.gz BAWATORFZUOABX-NSHDSACASA-N 0 3 305.334 1.327 20 5 DDBDHN CCN1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000057006282 352794719 /nfs/dbraw/zinc/79/47/19/352794719.db2.gz LGEYJWISORZERT-UHFFFAOYSA-N 0 3 306.366 1.878 20 5 DDBDHN C[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)N(C)C ZINC000068182105 353093961 /nfs/dbraw/zinc/09/39/61/353093961.db2.gz HCNHVTFVARTVNP-NSHDSACASA-N 0 3 304.350 1.616 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000069370704 353158755 /nfs/dbraw/zinc/15/87/55/353158755.db2.gz OVKGAJRFPXTFTJ-CYBMUJFWSA-N 0 3 321.377 1.746 20 5 DDBDHN CCc1nn(C)c(NC[C@@H](C)N2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000092828654 353871747 /nfs/dbraw/zinc/87/17/47/353871747.db2.gz PZDGJZCLEYRLNV-GFCCVEGCSA-N 0 3 324.429 1.329 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCN1CCOCC1 ZINC000236844424 354336334 /nfs/dbraw/zinc/33/63/34/354336334.db2.gz LGOWGGZQWICYPC-UHFFFAOYSA-N 0 3 309.366 1.415 20 5 DDBDHN NC(=O)c1ccnc(N[C@@H]2CCN(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000357243407 291029762 /nfs/dbraw/zinc/02/97/62/291029762.db2.gz XEWZKHLHQUZTAC-SNVBAGLBSA-N 0 3 319.365 1.518 20 5 DDBDHN CN(C)CCN(C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272314936 209704000 /nfs/dbraw/zinc/70/40/00/209704000.db2.gz IVJNDIPTBHRHQV-UHFFFAOYSA-N 0 3 309.351 1.233 20 5 DDBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000590589559 355122453 /nfs/dbraw/zinc/12/24/53/355122453.db2.gz PFNTTWIFGWSBMV-GWCFXTLKSA-N 0 3 313.379 1.308 20 5 DDBDHN Cc1c(CNC(=O)[C@H]2CNCCC2(F)F)cccc1[N+](=O)[O-] ZINC000591685675 355361570 /nfs/dbraw/zinc/36/15/70/355361570.db2.gz IRSLTGDRKLSPEO-LLVKDONJSA-N 0 3 313.304 1.764 20 5 DDBDHN NC1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCCC1 ZINC000592563361 355630576 /nfs/dbraw/zinc/63/05/76/355630576.db2.gz VXJOCSQQJPQEMG-UHFFFAOYSA-N 0 3 307.354 1.226 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000593720280 355976578 /nfs/dbraw/zinc/97/65/78/355976578.db2.gz JPMZGUOOVYVVRN-SMDDNHRTSA-N 0 3 307.325 1.439 20 5 DDBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC(=O)N(C)C1 ZINC000593991706 356081085 /nfs/dbraw/zinc/08/10/85/356081085.db2.gz JAMVJJOKAFLGAC-AWEZNQCLSA-N 0 3 321.377 1.916 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN3CCCC[C@H]23)n1 ZINC000594198106 356137563 /nfs/dbraw/zinc/13/75/63/356137563.db2.gz RXLMSIDMLHIFIY-NWDGAFQWSA-N 0 3 321.381 1.558 20 5 DDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCNC2(CCCCC2)C1 ZINC000594628752 356269465 /nfs/dbraw/zinc/26/94/65/356269465.db2.gz HEXUBMKKRQCCIH-UHFFFAOYSA-N 0 3 321.381 1.316 20 5 DDBDHN Cc1ccc(CNC[C@@]2(OCCO)CCOC2)cc1[N+](=O)[O-] ZINC000594973499 356366962 /nfs/dbraw/zinc/36/69/62/356366962.db2.gz DAIAYEJSJRJNEN-HNNXBMFYSA-N 0 3 310.350 1.161 20 5 DDBDHN NC1(C(=O)NCCc2ccccc2[N+](=O)[O-])CC2(CCC2)C1 ZINC000595249986 356418018 /nfs/dbraw/zinc/41/80/18/356418018.db2.gz ODZSEHDTEMMBET-UHFFFAOYSA-N 0 3 303.362 1.915 20 5 DDBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000595608477 356575668 /nfs/dbraw/zinc/57/56/68/356575668.db2.gz QVHLHURTPITNGN-CYBMUJFWSA-N 0 3 317.349 1.587 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)[C@H]1O ZINC000595748320 356635047 /nfs/dbraw/zinc/63/50/47/356635047.db2.gz FNDKNAFLWDZUBV-FIRUKDTASA-N 0 3 324.377 1.283 20 5 DDBDHN C[C@@H](O)[C@H]1CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595767443 356643662 /nfs/dbraw/zinc/64/36/62/356643662.db2.gz XKZTXERIGOUDCY-FRRDWIJNSA-N 0 3 310.350 1.180 20 5 DDBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CN1C1CC1 ZINC000596155926 356794681 /nfs/dbraw/zinc/79/46/81/356794681.db2.gz LMIOSNNLWHJNBY-KOLCDFICSA-N 0 3 304.350 1.731 20 5 DDBDHN CS[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000596197171 356810498 /nfs/dbraw/zinc/81/04/98/356810498.db2.gz VXUCXRORVLUSID-VXGBXAGGSA-N 0 3 324.406 1.711 20 5 DDBDHN C[C@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C)O1 ZINC000347605121 283241458 /nfs/dbraw/zinc/24/14/58/283241458.db2.gz IZVHERAXFGTJPQ-RYUDHWBXSA-N 0 3 324.381 1.542 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598261928 357512260 /nfs/dbraw/zinc/51/22/60/357512260.db2.gz ITEOARMYGHSRRE-LLVKDONJSA-N 0 3 323.397 1.487 20 5 DDBDHN CCN1CCC[C@H](CNc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598591342 357643781 /nfs/dbraw/zinc/64/37/81/357643781.db2.gz AANKBPMTJKVVKE-LLVKDONJSA-N 0 3 322.365 1.920 20 5 DDBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H](O)CC3(O)CCC3)CC2)n1 ZINC000599387082 357919577 /nfs/dbraw/zinc/91/95/77/357919577.db2.gz HKEBKMRWFWVRNN-CYBMUJFWSA-N 0 3 324.381 1.094 20 5 DDBDHN O=C(NC[C@@H]1CCN1C1CCCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000600228812 358163419 /nfs/dbraw/zinc/16/34/19/358163419.db2.gz FWOZIMIDOPTOBI-NSHDSACASA-N 0 3 307.354 1.455 20 5 DDBDHN Cc1c(CNC[C@H](O)C[C@@](C)(O)C2CC2)cccc1[N+](=O)[O-] ZINC000601963266 358755135 /nfs/dbraw/zinc/75/51/35/358755135.db2.gz DYWDRYMLMCEFFW-GDBMZVCRSA-N 0 3 308.378 1.905 20 5 DDBDHN O=[N+]([O-])c1cccc(CN2CCC(CCO)(CCO)CC2)c1 ZINC000602734187 359155320 /nfs/dbraw/zinc/15/53/20/359155320.db2.gz XXUYUKZRXXUSHJ-UHFFFAOYSA-N 0 3 308.378 1.942 20 5 DDBDHN CCOC(=O)CC1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602761233 359172566 /nfs/dbraw/zinc/17/25/66/359172566.db2.gz FCTMWMDRGLUIDZ-UHFFFAOYSA-N 0 3 324.381 1.765 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](c2cccnc2)C1 ZINC000602851497 359237612 /nfs/dbraw/zinc/23/76/12/359237612.db2.gz KRRFVMFIYYBNJR-CQSZACIVSA-N 0 3 301.350 1.984 20 5 DDBDHN Cn1cncc1CCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962520 359324920 /nfs/dbraw/zinc/32/49/20/359324920.db2.gz LPFOBNCXCUNODW-OAHLLOKOSA-N 0 3 304.350 1.368 20 5 DDBDHN Cc1cc(C(=O)N(C)CCN(C)C2CC2)c(N)c([N+](=O)[O-])c1 ZINC000186781542 200008962 /nfs/dbraw/zinc/00/89/62/200008962.db2.gz RUDSOWZQDAFRNG-UHFFFAOYSA-N 0 3 306.366 1.652 20 5 DDBDHN CCO[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000604436834 359750646 /nfs/dbraw/zinc/75/06/46/359750646.db2.gz ASQVPBYQBVPZDN-HOCLYGCPSA-N 0 3 324.377 1.835 20 5 DDBDHN Cc1nn(C)c(C(=O)NC[C@@H](N)c2ccccc2)c1[N+](=O)[O-] ZINC000237799512 202358354 /nfs/dbraw/zinc/35/83/54/202358354.db2.gz UKHCUEOUQNUVNS-LLVKDONJSA-N 0 3 303.322 1.067 20 5 DDBDHN CN1CC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000609521480 360317249 /nfs/dbraw/zinc/31/72/49/360317249.db2.gz ISYFKWKJANTGLN-SECBINFHSA-N 0 3 307.306 1.005 20 5 DDBDHN O=[N+]([O-])c1cnccc1N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000610489277 360449664 /nfs/dbraw/zinc/44/96/64/360449664.db2.gz UOUUTYIQHHUOIB-ZDUSSCGKSA-N 0 3 306.366 1.681 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC2(CCOC2)CC1 ZINC000611185644 360653378 /nfs/dbraw/zinc/65/33/78/360653378.db2.gz QVOKSBTWFWNSRN-UHFFFAOYSA-N 0 3 307.350 1.259 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1CCN(C)CC1 ZINC000193950513 201151638 /nfs/dbraw/zinc/15/16/38/201151638.db2.gz GDVREZNCDIHUOE-UHFFFAOYSA-N 0 3 322.365 1.497 20 5 DDBDHN CC[C@@H]1CN(C)CCCN1C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000619578460 364070548 /nfs/dbraw/zinc/07/05/48/364070548.db2.gz JAGJCYPMKBWURJ-GFCCVEGCSA-N 0 3 309.370 1.042 20 5 DDBDHN CC[C@@H]1CN(C)CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000619578381 364070913 /nfs/dbraw/zinc/07/09/13/364070913.db2.gz HAPQTGJOXYQHPT-CYBMUJFWSA-N 0 3 320.393 1.949 20 5 DDBDHN C[C@@H](C(=O)NC[C@](C)(O)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000566058840 304112676 /nfs/dbraw/zinc/11/26/76/304112676.db2.gz COOSRZFJMNKWLN-MLGOLLRUSA-N 0 3 323.393 1.517 20 5 DDBDHN O=[N+]([O-])c1cc(CNCCC2CCS(=O)(=O)CC2)cs1 ZINC000350750726 284255437 /nfs/dbraw/zinc/25/54/37/284255437.db2.gz XPAVFLGZUJWOBH-UHFFFAOYSA-N 0 3 318.420 1.961 20 5 DDBDHN CN(CC(=O)NC[C@H]1CCCN1C)c1ccccc1[N+](=O)[O-] ZINC000266336292 205277181 /nfs/dbraw/zinc/27/71/81/205277181.db2.gz UCKVFLUBEUGLAV-GFCCVEGCSA-N 0 3 306.366 1.241 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160063834 197382372 /nfs/dbraw/zinc/38/23/72/197382372.db2.gz DIBGUOGZXZQAIE-CQSZACIVSA-N 0 3 321.377 1.480 20 5 DDBDHN CNc1nc(C(=O)N2CC[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000567130811 304199600 /nfs/dbraw/zinc/19/96/00/304199600.db2.gz SSMBRNSQZMWMDX-LLVKDONJSA-N 0 3 319.365 1.342 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)[C@H]1CCOC1 ZINC000337220611 249395472 /nfs/dbraw/zinc/39/54/72/249395472.db2.gz LTVLRFWWEADULH-RYUDHWBXSA-N 0 3 307.350 1.856 20 5 DDBDHN Cc1c(CN2CCO[C@H]3CCN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000284471381 218040067 /nfs/dbraw/zinc/04/00/67/218040067.db2.gz AGLHBCNXDNPPAF-CVEARBPZSA-N 0 3 305.378 1.808 20 5 DDBDHN Cc1cc(C(=O)NCCN2CCC[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000104850680 194046706 /nfs/dbraw/zinc/04/67/06/194046706.db2.gz COHNZNGJWDLJOS-LLVKDONJSA-N 0 3 320.393 1.947 20 5 DDBDHN CC(C)(C)[C@H](NCCCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000109329707 194258057 /nfs/dbraw/zinc/25/80/57/194258057.db2.gz QAUBQMHYEBQXSV-CYBMUJFWSA-N 0 3 309.366 1.853 20 5 DDBDHN CCCN(CCN1CCN(CC)CC1)c1c([N+](=O)[O-])ncn1C ZINC000341050649 251355651 /nfs/dbraw/zinc/35/56/51/251355651.db2.gz PYSXKHAQEOYQRO-UHFFFAOYSA-N 0 3 324.429 1.182 20 5 DDBDHN Cc1nn(C)c(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000341066155 251364809 /nfs/dbraw/zinc/36/48/09/251364809.db2.gz JNKQKMVXKGHYPJ-PHIMTYICSA-N 0 3 323.397 1.629 20 5 DDBDHN C[C@@H](NC[C@H](O)c1cnn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294640343 224137328 /nfs/dbraw/zinc/13/73/28/224137328.db2.gz GHIQXAKNWXQHQZ-OTYXRUKQSA-N 0 3 305.338 1.295 20 5 DDBDHN COC[C@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000452028474 533131130 /nfs/dbraw/zinc/13/11/30/533131130.db2.gz HFXUIFUSYPTRKX-HUUCEWRRSA-N 0 3 324.377 1.835 20 5 DDBDHN COc1cc(C)ccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000568381915 304289404 /nfs/dbraw/zinc/28/94/04/304289404.db2.gz DWTXKRQTKFKLKY-AWEZNQCLSA-N 0 3 320.349 1.259 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCc3ccc(F)cc32)c1 ZINC000570082310 304395007 /nfs/dbraw/zinc/39/50/07/304395007.db2.gz ICUJXNOZFGMHOY-UKRRQHHQSA-N 0 3 320.324 1.568 20 5 DDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCCNC2)c1C ZINC000071397242 406838906 /nfs/dbraw/zinc/83/89/06/406838906.db2.gz DULYCXOBZUWZIV-LLVKDONJSA-N 0 3 313.379 1.242 20 5 DDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCNCC2)c1C ZINC000020556722 406887976 /nfs/dbraw/zinc/88/79/76/406887976.db2.gz VBIFWZJAAIBIHY-UHFFFAOYSA-N 0 3 313.379 1.196 20 5 DDBDHN CC[NH2+]CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000054266193 407181073 /nfs/dbraw/zinc/18/10/73/407181073.db2.gz SDHRYCNXYMSFPF-UHFFFAOYSA-N 0 3 307.759 1.136 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN1CCCC1 ZINC000103119489 407331641 /nfs/dbraw/zinc/33/16/41/407331641.db2.gz MBXYQZLBDIFLBI-UHFFFAOYSA-N 0 3 307.350 1.771 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000124319855 407354694 /nfs/dbraw/zinc/35/46/94/407354694.db2.gz VTHTYBKRYNZQCH-YPMHNXCESA-N 0 3 323.397 1.431 20 5 DDBDHN C[C@H]1CC[C@H](C(N)=O)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000103284071 407336043 /nfs/dbraw/zinc/33/60/43/407336043.db2.gz ILKCSPUSYCBXHT-RYUDHWBXSA-N 0 3 307.350 1.559 20 5 DDBDHN Cc1nn(C)c(C(=O)N2CCC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000107599561 407377124 /nfs/dbraw/zinc/37/71/24/407377124.db2.gz XMOPOTVEUHYPQQ-LBPRGKRZSA-N 0 3 321.381 1.337 20 5 DDBDHN C[C@H](NC(=O)CNC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000151460808 407440246 /nfs/dbraw/zinc/44/02/46/407440246.db2.gz ZGGMPMNXDCDSEH-FZMZJTMJSA-N 0 3 307.350 1.541 20 5 DDBDHN C[C@@]1(CCCO)CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000271173362 407554169 /nfs/dbraw/zinc/55/41/69/407554169.db2.gz DUZLUPTXNLJIGG-INIZCTEOSA-N 0 3 321.377 1.821 20 5 DDBDHN COCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000170809391 407510726 /nfs/dbraw/zinc/51/07/26/407510726.db2.gz SQYLJKVUPSKUAM-LBPRGKRZSA-N 0 3 322.365 1.139 20 5 DDBDHN CCN1CCC(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000272208844 407817855 /nfs/dbraw/zinc/81/78/55/407817855.db2.gz NQWUGKCUBJRXHA-UHFFFAOYSA-N 0 3 321.333 1.538 20 5 DDBDHN CN(C)C[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180577978 407901296 /nfs/dbraw/zinc/90/12/96/407901296.db2.gz SMAWAAXSRYCRBJ-SNVBAGLBSA-N 0 3 307.354 1.128 20 5 DDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000180743842 407915644 /nfs/dbraw/zinc/91/56/44/407915644.db2.gz FGJFQXDQLUHDDN-NSHDSACASA-N 0 3 304.350 1.487 20 5 DDBDHN C[C@@H]1NCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000262774911 407924933 /nfs/dbraw/zinc/92/49/33/407924933.db2.gz KQSGYQVXJGYYBE-QWRGUYRKSA-N 0 3 309.391 1.896 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272562887 407986493 /nfs/dbraw/zinc/98/64/93/407986493.db2.gz UNRDILDCLUKAFC-JSGCOSHPSA-N 0 3 319.361 1.526 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000272662117 408008737 /nfs/dbraw/zinc/00/87/37/408008737.db2.gz HCHQDRJIMCSVFH-LLVKDONJSA-N 0 3 321.381 1.256 20 5 DDBDHN Cn1cc(CN[C@@H]2CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181991397 408062212 /nfs/dbraw/zinc/06/22/12/408062212.db2.gz FJRQVVDTJQAPLI-CYBMUJFWSA-N 0 3 302.334 1.874 20 5 DDBDHN COc1ccc(CN(C)C[C@@H]2CCN(C(C)=O)C2)cc1[N+](=O)[O-] ZINC000156510268 408258008 /nfs/dbraw/zinc/25/80/08/408258008.db2.gz GMCWEYNDONKYFD-AWEZNQCLSA-N 0 3 321.377 1.904 20 5 DDBDHN CNC(=O)c1ccc(CN(C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176198198 408307020 /nfs/dbraw/zinc/30/70/20/408307020.db2.gz ZGZJEWSEDWZBGY-UHFFFAOYSA-N 0 3 317.349 1.283 20 5 DDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246819642 408347509 /nfs/dbraw/zinc/34/75/09/408347509.db2.gz RHBTUNGJJKYYNF-SWLSCSKDSA-N 0 3 305.378 1.936 20 5 DDBDHN CC(=O)NCCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174244196 162399954 /nfs/dbraw/zinc/39/99/54/162399954.db2.gz BNKDOGSYDKOVOA-UHFFFAOYSA-N 0 3 321.377 1.964 20 5 DDBDHN CN(C)[C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000270503124 408553538 /nfs/dbraw/zinc/55/35/38/408553538.db2.gz KISCSTKIHMODPY-AWEZNQCLSA-N 0 3 306.366 1.483 20 5 DDBDHN CC1(O)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000177314432 408578703 /nfs/dbraw/zinc/57/87/03/408578703.db2.gz SQDWZXLFWVPSDI-UHFFFAOYSA-N 0 3 307.350 1.770 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000249527349 408736916 /nfs/dbraw/zinc/73/69/16/408736916.db2.gz AGGVRCOBRWMDOF-YRGRVCCFSA-N 0 3 310.350 1.037 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1CN(C)C ZINC000194686021 408791280 /nfs/dbraw/zinc/79/12/80/408791280.db2.gz HNSBKTGXLNBCDG-LBPRGKRZSA-N 0 3 306.366 1.855 20 5 DDBDHN CNC(=O)NC(=O)CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178002687 408755165 /nfs/dbraw/zinc/75/51/65/408755165.db2.gz ANDFIXXERQYYTJ-UHFFFAOYSA-N 0 3 320.349 1.405 20 5 DDBDHN C[C@@H](C(=O)N1CC[C@H](N(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185181835 408776857 /nfs/dbraw/zinc/77/68/57/408776857.db2.gz JKVPEECIOBHJNJ-PWSUYJOCSA-N 0 3 309.341 2.000 20 5 DDBDHN NC(=O)c1ccnc(NC[C@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000290986575 408856496 /nfs/dbraw/zinc/85/64/96/408856496.db2.gz SKENCUVPBAIZIN-LLVKDONJSA-N 0 3 319.365 1.518 20 5 DDBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291227831 408862595 /nfs/dbraw/zinc/86/25/95/408862595.db2.gz WLLPQRIILGESLJ-QWRGUYRKSA-N 0 3 319.365 1.152 20 5 DDBDHN C[C@H]1COCC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000277522699 408957264 /nfs/dbraw/zinc/95/72/64/408957264.db2.gz QYRVZTNAILIVFE-FZMZJTMJSA-N 0 3 319.361 1.499 20 5 DDBDHN CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000277567867 408966629 /nfs/dbraw/zinc/96/66/29/408966629.db2.gz KVLJRPKDLLESCW-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN CN1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)C1 ZINC000294008168 409224094 /nfs/dbraw/zinc/22/40/94/409224094.db2.gz XXFULAHAMASZFU-OAHLLOKOSA-N 0 3 304.350 1.345 20 5 DDBDHN Cc1cc(OCC(=O)NCCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000280686825 409409295 /nfs/dbraw/zinc/40/92/95/409409295.db2.gz ZGJKZZMFKAPRST-UHFFFAOYSA-N 0 3 321.377 1.884 20 5 DDBDHN C[C@H]1CN(CCN(C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000285368109 409414480 /nfs/dbraw/zinc/41/44/80/409414480.db2.gz QSRWUTZASNXTLV-AWEZNQCLSA-N 0 3 307.394 1.790 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CCN1C ZINC000357425040 410033599 /nfs/dbraw/zinc/03/35/99/410033599.db2.gz RNABGSZGIMXGOO-STQMWFEESA-N 0 3 321.377 1.963 20 5 DDBDHN COC(=O)[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000346609480 410035561 /nfs/dbraw/zinc/03/55/61/410035561.db2.gz CZPGRZWINQMHCX-BXUZGUMPSA-N 0 3 308.334 1.857 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342922042 410002291 /nfs/dbraw/zinc/00/22/91/410002291.db2.gz UAOJLNKCOJYTTK-SNVBAGLBSA-N 0 3 302.334 1.900 20 5 DDBDHN COC(=O)[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000346636821 410050913 /nfs/dbraw/zinc/05/09/13/410050913.db2.gz HYRLTIBECBWALE-NWDGAFQWSA-N 0 3 308.334 1.857 20 5 DDBDHN CCN1CC[C@@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000339389466 410149880 /nfs/dbraw/zinc/14/98/80/410149880.db2.gz CCSAYMMOILPBAN-CVEARBPZSA-N 0 3 305.378 1.890 20 5 DDBDHN CCN1CC[C@H]2OCCN(CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000339393319 410154961 /nfs/dbraw/zinc/15/49/61/410154961.db2.gz FOCNWHNXAFSCCW-IAGOWNOFSA-N 0 3 319.405 1.932 20 5 DDBDHN C[C@H]1CCN(C)CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000355500535 410548233 /nfs/dbraw/zinc/54/82/33/410548233.db2.gz DRVDVUKZJLVDLR-ZDUSSCGKSA-N 0 3 320.393 1.873 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCCN1C ZINC000343583804 410551098 /nfs/dbraw/zinc/55/10/98/410551098.db2.gz ZKEAPTRZIIRKNT-ONGXEEELSA-N 0 3 321.333 1.536 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000334042910 410626116 /nfs/dbraw/zinc/62/61/16/410626116.db2.gz ZXBBAYIHMVIKSX-MNOVXSKESA-N 0 3 307.350 1.816 20 5 DDBDHN Cc1c(CNC(=O)NCC2=CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000359538044 410717718 /nfs/dbraw/zinc/71/77/18/410717718.db2.gz AZECNXWTFWNFPC-UHFFFAOYSA-N 0 3 318.377 1.964 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCN(CCC(C)(C)C)CC1 ZINC000331070985 410930188 /nfs/dbraw/zinc/93/01/88/410930188.db2.gz SLIBYWRJCBIRCL-UHFFFAOYSA-N 0 3 309.414 1.882 20 5 DDBDHN CN(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])n2C)CCSC1 ZINC000331101960 410948320 /nfs/dbraw/zinc/94/83/20/410948320.db2.gz OZXLENIDUKCCJK-ZDUSSCGKSA-N 0 3 312.395 1.100 20 5 DDBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356442879 411034160 /nfs/dbraw/zinc/03/41/60/411034160.db2.gz DLHZDIHSQJDHJD-GFCCVEGCSA-N 0 3 323.397 1.713 20 5 DDBDHN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)Cc1ccccc1 ZINC000348629745 411040214 /nfs/dbraw/zinc/04/02/14/411040214.db2.gz HYRVXZDCVBVMQU-LBPRGKRZSA-N 0 3 317.349 1.221 20 5 DDBDHN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1CCO ZINC000419322456 226113664 /nfs/dbraw/zinc/11/36/64/226113664.db2.gz HKDGQTWFYUWDMQ-ZIAGYGMSSA-N 0 3 323.393 1.361 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)n1 ZINC000191814903 222110401 /nfs/dbraw/zinc/11/04/01/222110401.db2.gz KYURIMWZMSHPGJ-QWRGUYRKSA-N 0 3 307.354 1.120 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCC[C@H](CO)C1 ZINC000371688062 418808733 /nfs/dbraw/zinc/80/87/33/418808733.db2.gz CLWUJUQLBRZLQK-UONOGXRCSA-N 0 3 324.377 1.429 20 5 DDBDHN COC1(CN2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CCOCC1 ZINC000365426238 418859794 /nfs/dbraw/zinc/85/97/94/418859794.db2.gz UXVYBMISGHFPKG-CYBMUJFWSA-N 0 3 324.381 1.624 20 5 DDBDHN COC(=O)[C@@H]1CN(C)CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000411912323 419475377 /nfs/dbraw/zinc/47/53/77/419475377.db2.gz VGKZXMDOVOWJLI-CHWSQXEVSA-N 0 3 321.377 1.692 20 5 DDBDHN Cc1c(CNC(=O)N2C[C@H](C)NC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000418077342 419514209 /nfs/dbraw/zinc/51/42/09/419514209.db2.gz HPUFCNUQTHVHSU-QWRGUYRKSA-N 0 3 306.366 1.795 20 5 DDBDHN C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCN1CCO ZINC000428460083 419873413 /nfs/dbraw/zinc/87/34/13/419873413.db2.gz FYAIIRXUAMBPQI-KXQLTZBTSA-N 0 3 305.378 1.606 20 5 DDBDHN COc1cc(C(=O)N2CCCNCC2)cc([N+](=O)[O-])c1OC ZINC000428413665 419863741 /nfs/dbraw/zinc/86/37/41/419863741.db2.gz MRUXWOMAKGQAOS-UHFFFAOYSA-N 0 3 309.322 1.048 20 5 DDBDHN C[C@]12CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1C2(F)F ZINC000428711731 419919949 /nfs/dbraw/zinc/91/99/49/419919949.db2.gz LWUXKMKWCJRREG-TUAOUCFPSA-N 0 3 316.308 1.129 20 5 DDBDHN NC[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000415825336 420191536 /nfs/dbraw/zinc/19/15/36/420191536.db2.gz ZHZGSZKSCBXMJY-CYBMUJFWSA-N 0 3 320.349 1.167 20 5 DDBDHN C[C@H]1CC[NH2+]C[C@@H]1[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420238992 420165011 /nfs/dbraw/zinc/16/50/11/420165011.db2.gz LKNZMNSNYDQAEA-CABZTGNLSA-N 0 3 303.322 2.055 20 5 DDBDHN CCc1ccccc1[C@H](N)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000423978168 420290118 /nfs/dbraw/zinc/29/01/18/420290118.db2.gz OBVCFSUVBILOMJ-GFCCVEGCSA-N 0 3 302.334 1.915 20 5 DDBDHN N[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1c1cccc(F)c1 ZINC000424015356 420307364 /nfs/dbraw/zinc/30/73/64/420307364.db2.gz ZFCIUMWCWOXCGW-WDEREUQCSA-N 0 3 319.296 1.024 20 5 DDBDHN C[C@H]1C[C@H](O)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000452068432 420620431 /nfs/dbraw/zinc/62/04/31/420620431.db2.gz NYJKOKVLTPWQKH-RYUDHWBXSA-N 0 3 307.350 1.626 20 5 DDBDHN CNc1nc(C(=O)NCCN2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000454728460 420916693 /nfs/dbraw/zinc/91/66/93/420916693.db2.gz DOEWHNFFURFHCC-NSHDSACASA-N 0 3 321.381 1.493 20 5 DDBDHN CN1CC[C@](O)(CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000487759924 421048412 /nfs/dbraw/zinc/04/84/12/421048412.db2.gz IYHYDCWJWRKVTO-HNNXBMFYSA-N 0 3 302.334 1.043 20 5 DDBDHN Nc1c(C(=O)N[C@@H]2CNCCC2(F)F)cc(F)cc1[N+](=O)[O-] ZINC000449662387 421050131 /nfs/dbraw/zinc/05/01/31/421050131.db2.gz LFODTKGAZYLARY-SECBINFHSA-N 0 3 318.255 1.043 20 5 DDBDHN CC[C@@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)NC ZINC000449770621 421080148 /nfs/dbraw/zinc/08/01/48/421080148.db2.gz GAMOIEILECLMBB-ZWNOBZJWSA-N 0 3 322.365 1.426 20 5 DDBDHN CC[C@@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NC ZINC000449773607 421080846 /nfs/dbraw/zinc/08/08/46/421080846.db2.gz KKIITDFVVHGOAV-GXFFZTMASA-N 0 3 322.365 1.426 20 5 DDBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000515320429 421492251 /nfs/dbraw/zinc/49/22/51/421492251.db2.gz OWPDMEDIBZKLMK-WCQYABFASA-N 0 3 306.366 1.632 20 5 DDBDHN COc1ccc(CNC[C@H](O)CN(C)C2CC2)cc1[N+](=O)[O-] ZINC000571577281 421727538 /nfs/dbraw/zinc/72/75/38/421727538.db2.gz JTEHJVNBWYISEM-ZDUSSCGKSA-N 0 3 309.366 1.148 20 5 DDBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000520366853 421747051 /nfs/dbraw/zinc/74/70/51/421747051.db2.gz IUZCQOXOYSTCJD-VXGBXAGGSA-N 0 3 308.382 1.784 20 5 DDBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000574782370 422179425 /nfs/dbraw/zinc/17/94/25/422179425.db2.gz DVJOWUYVBRGFAB-GFCCVEGCSA-N 0 3 323.397 1.758 20 5 DDBDHN CCC[C@@](C)(N)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000319969533 271025119 /nfs/dbraw/zinc/02/51/19/271025119.db2.gz CEMPHBQTBNGNHF-OAHLLOKOSA-N 0 3 321.381 1.156 20 5 DDBDHN COc1cc(CN[C@@H]2CCC(=O)N[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000342053285 271283248 /nfs/dbraw/zinc/28/32/48/271283248.db2.gz WFYXPUPVKGMKNU-WBMJQRKESA-N 0 3 319.361 1.750 20 5 DDBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CCN(C2CCC2)C1 ZINC000344779105 272116682 /nfs/dbraw/zinc/11/66/82/272116682.db2.gz UBHLKWZQEUIXSO-GFCCVEGCSA-N 0 3 320.393 1.880 20 5 DDBDHN C[C@H](CO)N1CCCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000345004407 272154047 /nfs/dbraw/zinc/15/40/47/272154047.db2.gz ANZCOJNAMTWKAZ-SNVBAGLBSA-N 0 3 312.345 1.209 20 5 DDBDHN CC(C)(NC[C@H](O)Cn1cccn1)c1ccccc1[N+](=O)[O-] ZINC000292130041 275552450 /nfs/dbraw/zinc/55/24/50/275552450.db2.gz LEEGKAUOVXJCEI-LBPRGKRZSA-N 0 3 304.350 1.677 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000363103382 300211168 /nfs/dbraw/zinc/21/11/68/300211168.db2.gz HVEBEGFFEYNWLO-KGLIPLIRSA-N 0 3 319.361 1.496 20 5 DDBDHN CO[C@@H]1COC[C@H]1N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000574691159 304675480 /nfs/dbraw/zinc/67/54/80/304675480.db2.gz RFPTUJFJPCYXDQ-LERXQTSPSA-N 0 3 323.349 1.315 20 5 DDBDHN CCOc1cccc(N2CCCN([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000368971676 301114048 /nfs/dbraw/zinc/11/40/48/301114048.db2.gz CUANGJADJZOJGD-CYBMUJFWSA-N 0 3 323.393 1.886 20 5 DDBDHN CCOc1cccc(N2CCCN([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000368971678 301114279 /nfs/dbraw/zinc/11/42/79/301114279.db2.gz CUANGJADJZOJGD-ZDUSSCGKSA-N 0 3 323.393 1.886 20 5 DDBDHN COC[C@H]1CCCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000369946823 301245105 /nfs/dbraw/zinc/24/51/05/301245105.db2.gz COEHPQJDQYTXPG-ZDUSSCGKSA-N 0 3 309.366 1.505 20 5 DDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[C@H]1N1CCN(C)CC1 ZINC000374312946 301790653 /nfs/dbraw/zinc/79/06/53/301790653.db2.gz SRBAGOSZCAVVAB-UKRRQHHQSA-N 0 3 319.409 1.452 20 5 DDBDHN O=C1NC[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]12 ZINC000377673035 302208954 /nfs/dbraw/zinc/20/89/54/302208954.db2.gz RLMNOGOHGSYJAW-BXUZGUMPSA-N 0 3 305.334 1.042 20 5 DDBDHN CCOC(=O)N1CC[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000497225044 302693917 /nfs/dbraw/zinc/69/39/17/302693917.db2.gz FVKLVZPPHZBYSY-TZMCWYRMSA-N 0 3 323.349 1.449 20 5 DDBDHN CN(C(=O)CN[C@@H]1CCO[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000365192358 307061387 /nfs/dbraw/zinc/06/13/87/307061387.db2.gz QDGGGWRJKDTQFJ-GDBMZVCRSA-N 0 3 319.361 1.715 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC([C@H]3CCOC3)C2)c1 ZINC000373641294 307193715 /nfs/dbraw/zinc/19/37/15/307193715.db2.gz SAPXWOUKISEMND-WFASDCNBSA-N 0 3 322.361 1.303 20 5 DDBDHN C[C@H]1NC(=O)N(CCN(C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000459464522 307307507 /nfs/dbraw/zinc/30/75/07/307307507.db2.gz NJBXMIHBROHPPU-LLVKDONJSA-N 0 3 320.349 1.009 20 5 DDBDHN Cc1cccc(OC[C@@H](O)CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC000565477055 308031916 /nfs/dbraw/zinc/03/19/16/308031916.db2.gz YBKYZBZZDQULSB-AWEZNQCLSA-N 0 3 320.349 1.129 20 5 DDBDHN Cn1cncc1CCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000575427243 308277193 /nfs/dbraw/zinc/27/71/93/308277193.db2.gz NQEYIQIAXCMKAV-UHFFFAOYSA-N 0 3 301.350 1.714 20 5 DDBDHN C[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]C1 ZINC000230736229 484170558 /nfs/dbraw/zinc/17/05/58/484170558.db2.gz ZHLHDLVBGVJRKT-NSHDSACASA-N 0 3 319.770 1.279 20 5 DDBDHN C[C@@H]1[C@@H](CO)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000488736786 484217298 /nfs/dbraw/zinc/21/72/98/484217298.db2.gz QYWDMGOFQQFENW-JHJVBQTASA-N 0 3 310.350 1.037 20 5 DDBDHN Cc1cc(C(=O)NC[C@@]2(O)CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000556851936 484319630 /nfs/dbraw/zinc/31/96/30/484319630.db2.gz UITMEKNHNSZKAP-MRXNPFEDSA-N 0 3 319.361 1.090 20 5 DDBDHN COC(=O)c1cc(C(=O)N2CCN[C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000423591603 533727496 /nfs/dbraw/zinc/72/74/96/533727496.db2.gz CKCROKMJPCTLBD-UWVGGRQHSA-N 0 3 321.333 1.204 20 5 DDBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CCN(C2CC2)C1 ZINC000452171276 534424320 /nfs/dbraw/zinc/42/43/20/534424320.db2.gz POLDLVLVTKBHCP-NSHDSACASA-N 0 3 306.366 1.490 20 5 DDBDHN C[NH+](C)C[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736757936 598828690 /nfs/dbraw/zinc/82/86/90/598828690.db2.gz AFIRKDJWFGLINT-SNVBAGLBSA-N 0 3 317.353 1.163 20 5 DDBDHN C[NH+](C)C[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736757936 598828691 /nfs/dbraw/zinc/82/86/91/598828691.db2.gz AFIRKDJWFGLINT-SNVBAGLBSA-N 0 3 317.353 1.163 20 5 DDBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000773114610 697715679 /nfs/dbraw/zinc/71/56/79/697715679.db2.gz YHZOJWTZPNNWAU-UHFFFAOYSA-N 0 3 322.321 1.669 20 5 DDBDHN CC1(C)CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000781961618 698666231 /nfs/dbraw/zinc/66/62/31/698666231.db2.gz CREDUZISZOYTGM-HNNXBMFYSA-N 0 3 323.393 1.017 20 5 DDBDHN Nc1nc(NC2CCN(C[C@@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC000725787496 699333998 /nfs/dbraw/zinc/33/39/98/699333998.db2.gz JUHCCNGRHFPCEX-NSHDSACASA-N 0 3 322.369 1.022 20 5 DDBDHN NC(=O)c1cccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000731678056 699533028 /nfs/dbraw/zinc/53/30/28/699533028.db2.gz FYLIMYYXRRZAOF-OAHLLOKOSA-N 0 3 315.329 1.517 20 5 DDBDHN COc1ccc(NC(=O)CN[C@@H](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000763065827 700923505 /nfs/dbraw/zinc/92/35/05/700923505.db2.gz MWURRNNXLDZQOT-LBPRGKRZSA-N 0 3 323.349 1.293 20 5 DDBDHN CC(COC(=O)c1ccn(-c2ccc(F)cc2F)n1)[N+](=O)[O-] ZINC000813103505 702292086 /nfs/dbraw/zinc/29/20/86/702292086.db2.gz CFZMXLZWWARTPX-QMMMGPOBSA-N 0 3 311.244 1.973 20 5 DDBDHN CC(COC(=O)CCc1nc(-c2cccs2)no1)[N+](=O)[O-] ZINC000813108464 702295329 /nfs/dbraw/zinc/29/53/29/702295329.db2.gz YPSQQKHTNITTDL-QMMMGPOBSA-N 0 3 311.319 1.939 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2c3ccccc3C[C@@H]2O)c1 ZINC000843071378 702813323 /nfs/dbraw/zinc/81/33/23/702813323.db2.gz ZRZVUVYTTVLQAP-GVDBMIGSSA-N 0 3 314.341 1.876 20 5 DDBDHN Nc1ccc(-c2noc(C[C@H]3CSCCN3)n2)cc1[N+](=O)[O-] ZINC000843169833 702832639 /nfs/dbraw/zinc/83/26/39/702832639.db2.gz SHFXAOBPWZNNMR-VIFPVBQESA-N 0 3 321.362 1.475 20 5 DDBDHN CC([C@H](OC(=O)CCc1nnc[nH]1)c1ccccc1F)[N+](=O)[O-] ZINC000845873861 703211351 /nfs/dbraw/zinc/21/13/51/703211351.db2.gz DZPWRQWGLAJCNS-OTYXRUKQSA-N 0 3 322.296 1.826 20 5 DDBDHN CC([C@H](OC(=O)c1ncn(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845882394 703211928 /nfs/dbraw/zinc/21/19/28/703211928.db2.gz OQBSQGDYDFRMSA-KWQFWETISA-N 0 3 308.269 1.518 20 5 DDBDHN CNc1nccc(C(=O)NC[C@@H](C)N2CCCCC2)c1[N+](=O)[O-] ZINC000847367447 703408297 /nfs/dbraw/zinc/40/82/97/703408297.db2.gz LYJNJDWTWJJXDL-LLVKDONJSA-N 0 3 321.381 1.636 20 5 DDBDHN CN(C)c1ncc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)n1C ZINC000819062272 704063415 /nfs/dbraw/zinc/06/34/15/704063415.db2.gz CTVYMNXZLYVRKR-CQSZACIVSA-N 0 3 319.365 1.218 20 5 DDBDHN CC(C)(CNC[C@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000819133128 704074399 /nfs/dbraw/zinc/07/43/99/704074399.db2.gz JIJAONKVGHXEOX-LBPRGKRZSA-N 0 3 316.379 1.041 20 5 DDBDHN CCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000855485762 704487282 /nfs/dbraw/zinc/48/72/82/704487282.db2.gz HDAFOBVEPBZZAU-CABCVRRESA-N 0 3 321.377 1.571 20 5 DDBDHN CCC[NH2+]CC[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764112 704621592 /nfs/dbraw/zinc/62/15/92/704621592.db2.gz IEGJDFMOWIVMCT-UHFFFAOYSA-N 0 3 317.292 1.682 20 5 DDBDHN CNc1nccc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874830012 705187864 /nfs/dbraw/zinc/18/78/64/705187864.db2.gz PRIKSHOALVPETQ-RYUDHWBXSA-N 0 3 319.365 1.340 20 5 DDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000874834926 705192359 /nfs/dbraw/zinc/19/23/59/705192359.db2.gz VSDQGCGDVDSDSB-VXGBXAGGSA-N 0 3 304.350 1.486 20 5 DDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000874837366 705194113 /nfs/dbraw/zinc/19/41/13/705194113.db2.gz IGUMGLORBWHUKB-QWHCGFSZSA-N 0 3 321.381 1.222 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874845030 705199640 /nfs/dbraw/zinc/19/96/40/705199640.db2.gz FFHMFTMKXKPHGU-ZIAGYGMSSA-N 0 3 319.361 1.912 20 5 DDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000874846914 705201246 /nfs/dbraw/zinc/20/12/46/705201246.db2.gz LNBKUOHJJLRLNO-CABCVRRESA-N 0 3 319.361 1.669 20 5 DDBDHN COc1ccc(CN2CC[C@@H]2CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000862753809 705790888 /nfs/dbraw/zinc/79/08/88/705790888.db2.gz IDSVNRQAAKELLA-BPLDGKMQSA-N 0 3 319.361 1.051 20 5 DDBDHN COC[C@@H](C)OC[C@@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000872249515 707348563 /nfs/dbraw/zinc/34/85/63/707348563.db2.gz WKHUCHBOKGRWHE-UPJWGTAASA-N 0 3 312.366 1.658 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC23CCN(C)CC3)n1 ZINC000897133910 708236777 /nfs/dbraw/zinc/23/67/77/708236777.db2.gz ROTDHAARYCDBMX-UHFFFAOYSA-N 0 3 320.349 1.451 20 5 DDBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)CCO ZINC000899741444 709185765 /nfs/dbraw/zinc/18/57/65/709185765.db2.gz XXCGPYKPASDRRP-QXMHVHEDSA-N 0 3 307.350 1.038 20 5 DDBDHN CCN1CCN([C@@H](C)CNc2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000891830172 710304782 /nfs/dbraw/zinc/30/47/82/710304782.db2.gz VJGYITLROWBSTJ-LBPRGKRZSA-N 0 3 323.397 1.436 20 5 DDBDHN C[C@H]1[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCN1C ZINC000928434471 713194187 /nfs/dbraw/zinc/19/41/87/713194187.db2.gz DZEZKJQHPJYNKJ-WCBMZHEXSA-N 0 3 307.306 1.146 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1C ZINC000928441884 713197484 /nfs/dbraw/zinc/19/74/84/713197484.db2.gz PTMZBRMUWIOEHC-YGRLFVJLSA-N 0 3 316.361 1.827 20 5 DDBDHN C[C@]1(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CN2CCC1CC2 ZINC000912374600 711298803 /nfs/dbraw/zinc/29/88/03/711298803.db2.gz NYHCKZRYFIPOGF-ZBFHGGJFSA-N 0 3 319.361 1.229 20 5 DDBDHN CN(CCO)CCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC000895240860 711462053 /nfs/dbraw/zinc/46/20/53/711462053.db2.gz NYFNMZDVSVVXCB-UHFFFAOYSA-N 0 3 324.768 1.554 20 5 DDBDHN COc1cc(CN[C@@H]2COC[C@@H]2C2CC2)c([N+](=O)[O-])cc1O ZINC000914432767 713394954 /nfs/dbraw/zinc/39/49/54/713394954.db2.gz DMKXZBDEWKXPKC-VXGBXAGGSA-N 0 3 308.334 1.824 20 5 DDBDHN CC[C@@H](CO)N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000915875840 713434295 /nfs/dbraw/zinc/43/42/95/713434295.db2.gz YQVUMCDZACJQMU-BDAKNGLRSA-N 0 3 315.757 1.936 20 5 DDBDHN Cc1cccnc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125424800 733291631 /nfs/dbraw/zinc/29/16/31/733291631.db2.gz UJDUJUCTPHPRIK-UHFFFAOYSA-N 0 3 314.345 1.818 20 5 DDBDHN CC(F)(F)C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001021772024 733533710 /nfs/dbraw/zinc/53/37/10/733533710.db2.gz RAKCKKZNFFWQGH-PHIMTYICSA-N 0 3 313.304 1.987 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1CC(F)(F)C1 ZINC001125489939 733600921 /nfs/dbraw/zinc/60/09/21/733600921.db2.gz ZVTVNBDXPYKBME-UHFFFAOYSA-N 0 3 313.304 1.846 20 5 DDBDHN CCc1nc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)co1 ZINC001126061519 738219259 /nfs/dbraw/zinc/21/92/59/738219259.db2.gz JTILBLUKUOVILQ-UHFFFAOYSA-N 0 3 318.333 1.665 20 5 DDBDHN Cc1cc[nH]c1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126513675 740527467 /nfs/dbraw/zinc/52/74/67/740527467.db2.gz GNAMZSUHQBHANQ-UHFFFAOYSA-N 0 3 302.334 1.751 20 5 DDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CN(C/C=C\Cl)C2)CC1 ZINC001035706702 751793844 /nfs/dbraw/zinc/79/38/44/751793844.db2.gz JSJRUIPKEIYKLT-QBEVBOACSA-N 0 3 313.785 1.329 20 5 DDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(Cc3ccncc3)CC2)C1 ZINC001169024932 762202378 /nfs/dbraw/zinc/20/23/78/762202378.db2.gz HVZPEROECIXDMQ-HOTGVXAUSA-N 0 3 304.394 1.645 20 5 DDBDHN Cc1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)ccn1 ZINC001135559097 771576976 /nfs/dbraw/zinc/57/69/76/771576976.db2.gz DKCYDDMLKUILKU-UHFFFAOYSA-N 0 3 314.345 1.818 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ncccc1F ZINC001135723493 771674145 /nfs/dbraw/zinc/67/41/45/771674145.db2.gz WYUDJSIUVDQCPX-UHFFFAOYSA-N 0 3 318.308 1.649 20 5 DDBDHN CCN(CC)CC(=O)NCCN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC001100125979 775710641 /nfs/dbraw/zinc/71/06/41/775710641.db2.gz YVKUPBTXQGIUIT-UHFFFAOYSA-N 0 3 322.409 1.797 20 5 DDBDHN CCN(CC)CC(=O)NCCCNc1ncc(C)cc1[N+](=O)[O-] ZINC001094441790 775878165 /nfs/dbraw/zinc/87/81/65/775878165.db2.gz BLBOXIORSOGEFH-UHFFFAOYSA-N 0 3 323.397 1.558 20 5 DDBDHN O=C(Cc1ccc[nH]1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001176659251 778220612 /nfs/dbraw/zinc/22/06/12/778220612.db2.gz ZEZXHLMXOQXBEU-UHFFFAOYSA-N 0 3 322.390 1.823 20 5 DDBDHN CCN1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001178861627 779214431 /nfs/dbraw/zinc/21/44/31/779214431.db2.gz ZTUYTTYAVOLZMJ-CQSZACIVSA-N 0 3 321.377 1.820 20 5 DDBDHN COCCC(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001266571790 836483340 /nfs/dbraw/zinc/48/33/40/836483340.db2.gz HVZWPTHWJUAHTR-JOCQHMNTSA-N 0 3 307.350 1.368 20 5 DDBDHN Cc1cc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)no1 ZINC001267344847 837871262 /nfs/dbraw/zinc/87/12/62/837871262.db2.gz VWJJPXVIDUMICA-UHFFFAOYSA-N 0 3 318.333 1.753 20 5 DDBDHN NCc1ccnn1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001155123821 861755241 /nfs/dbraw/zinc/75/52/41/861755241.db2.gz KIOJWCHSJFCUTG-UHFFFAOYSA-N 0 3 303.656 1.896 20 5 DDBDHN O=[N+]([O-])c1cc[n+]([O-])c(N2CCNC[C@H]2c2cccs2)c1 ZINC001156089822 862715187 /nfs/dbraw/zinc/71/51/87/862715187.db2.gz TUSFMAQYXULKMT-NSHDSACASA-N 0 3 306.347 1.441 20 5 DDBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC001122264870 858729536 /nfs/dbraw/zinc/72/95/36/858729536.db2.gz YEIVEBPUKOIWMF-GRYCIOLGSA-N 0 3 307.350 1.571 20 5 DDBDHN CC(C)OCCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001123834461 859434345 /nfs/dbraw/zinc/43/43/45/859434345.db2.gz CBIIQSWHWSFYHQ-UHFFFAOYSA-N 0 3 309.366 1.616 20 5 DDBDHN Cc1[nH]nc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1C ZINC001125038978 859877706 /nfs/dbraw/zinc/87/77/06/859877706.db2.gz CMKVPZWZERQUOE-UHFFFAOYSA-N 0 3 317.349 1.454 20 5 DDBDHN CN1CCN(C(=N)Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC001157914556 864253688 /nfs/dbraw/zinc/25/36/88/864253688.db2.gz AMOXYYZROJTLCT-UHFFFAOYSA-N 0 3 314.349 1.737 20 5 DDBDHN O=[N+]([O-])c1cnc(N2CCO[C@H](CN3CCCC3)C2)c(F)c1 ZINC001158309078 864563392 /nfs/dbraw/zinc/56/33/92/864563392.db2.gz ATMWWNGOGRSHDO-GFCCVEGCSA-N 0 3 310.329 1.430 20 5 DDBDHN Cc1nn(CCC(=O)N[C@@H]2CN3CCC2CC3)c(C)c1[N+](=O)[O-] ZINC001337355695 869450852 /nfs/dbraw/zinc/45/08/52/869450852.db2.gz IBOVXWCBQALPNH-CYBMUJFWSA-N 0 3 321.381 1.009 20 5 DDBDHN O=[N+]([O-])c1cccc2nc(N3CC[C@@H]4NCCO[C@H]4C3)ccc21 ZINC001165270654 869481924 /nfs/dbraw/zinc/48/19/24/869481924.db2.gz IYIDUKZSNHSOBQ-ZFWWWQNUSA-N 0 3 314.345 1.710 20 5 DDBDHN COc1c(O)ccc(CNCCc2ccn(C)n2)c1[N+](=O)[O-] ZINC001205231074 871447910 /nfs/dbraw/zinc/44/79/10/871447910.db2.gz QEHGTTBWINRDRD-UHFFFAOYSA-N 0 3 306.322 1.375 20 5 DDBDHN COc1c([O-])ccc(C[NH2+]CCc2ccn(C)n2)c1[N+](=O)[O-] ZINC001205231074 871447924 /nfs/dbraw/zinc/44/79/24/871447924.db2.gz QEHGTTBWINRDRD-UHFFFAOYSA-N 0 3 306.322 1.375 20 5 DDBDHN C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001341027565 871474125 /nfs/dbraw/zinc/47/41/25/871474125.db2.gz JBSLSTVHEIGPPN-SRVKXCTJSA-N 0 3 306.366 1.604 20 5 DDBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001341027566 871475066 /nfs/dbraw/zinc/47/50/66/871475066.db2.gz JBSLSTVHEIGPPN-WOPDTQHZSA-N 0 3 306.366 1.604 20 5 DDBDHN Nc1ncc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC001300131227 876970898 /nfs/dbraw/zinc/97/08/98/876970898.db2.gz ODWSCNNCXSVDSC-VXGBXAGGSA-N 0 3 319.365 1.319 20 5 DDBDHN CN1CCC(N)(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC1 ZINC001249126982 893833999 /nfs/dbraw/zinc/83/39/99/893833999.db2.gz JYDHVDOTBVKFQB-UHFFFAOYSA-N 0 3 322.300 1.059 20 5 DDBDHN C[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000249002299 282126027 /nfs/dbraw/zinc/12/60/27/282126027.db2.gz YYGXMRRHQPYISJ-YRGRVCCFSA-N 0 3 310.350 1.037 20 5 DDBDHN COC[C@H](C)OC[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000278215835 214027599 /nfs/dbraw/zinc/02/75/99/214027599.db2.gz DMUSHDAZGROOJD-SLEUVZQESA-N 0 3 312.366 1.658 20 5 DDBDHN Cc1nn(C)c(N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488736629 282270859 /nfs/dbraw/zinc/27/08/59/282270859.db2.gz VIZKZPOXXSEUNP-NQBHXWOUSA-N 0 3 307.398 1.803 20 5 DDBDHN CN(CCN(C)C1CC1)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000302250298 529903318 /nfs/dbraw/zinc/90/33/18/529903318.db2.gz MNNBAYIGOCGVND-UHFFFAOYSA-N 0 3 317.349 1.774 20 5 DDBDHN CN(C[C@@H]1CCCN(C)C1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301998368 529949048 /nfs/dbraw/zinc/94/90/48/529949048.db2.gz PIFMNFHDUCOYAZ-LLVKDONJSA-N 0 3 304.354 1.416 20 5 DDBDHN C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272648482 210052658 /nfs/dbraw/zinc/05/26/58/210052658.db2.gz DPXPOFBMXMMLRL-GFCCVEGCSA-N 0 3 319.361 1.740 20 5 DDBDHN C[C@H](CN1CCOCC1)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000279739388 215105848 /nfs/dbraw/zinc/10/58/48/215105848.db2.gz OOTJFTHMYNRQMO-CQSZACIVSA-N 0 3 323.393 1.626 20 5 DDBDHN CC1(C)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000279755243 215118889 /nfs/dbraw/zinc/11/88/89/215118889.db2.gz LUQYLYLCXHMVLE-SMDDNHRTSA-N 0 3 310.350 1.037 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CNC(C)(C)CN(C)C ZINC000459552633 233311660 /nfs/dbraw/zinc/31/16/60/233311660.db2.gz WJYHTKYSJCGHOF-UHFFFAOYSA-N 0 3 308.382 1.772 20 5 DDBDHN Cc1cc(C(=O)N2CCN(CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000171881049 198000192 /nfs/dbraw/zinc/00/01/92/198000192.db2.gz FNITUUCJIDGUGA-UHFFFAOYSA-N 0 3 320.393 1.223 20 5 DDBDHN CCNC(=O)C1(CNCc2ccc(OC)c([N+](=O)[O-])c2)CCC1 ZINC000277163948 213338380 /nfs/dbraw/zinc/33/83/80/213338380.db2.gz HERUCHYHYQJAGH-UHFFFAOYSA-N 0 3 321.377 1.999 20 5 DDBDHN CC(C)(CNC(=O)CCn1cc([N+](=O)[O-])cn1)N1CCCCC1 ZINC000063661899 352918245 /nfs/dbraw/zinc/91/82/45/352918245.db2.gz MNAVUQJSXABQPV-UHFFFAOYSA-N 0 3 323.397 1.562 20 5 DDBDHN C[C@H]1CCCN(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000068121578 353090099 /nfs/dbraw/zinc/09/00/99/353090099.db2.gz RLWHLALOPASPPU-JTQLQIEISA-N 0 3 324.356 1.778 20 5 DDBDHN CCCCNC(=O)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174836887 198391708 /nfs/dbraw/zinc/39/17/08/198391708.db2.gz OHJZKUWNNXVGAB-CYBMUJFWSA-N 0 3 323.397 1.420 20 5 DDBDHN Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000081290875 353660690 /nfs/dbraw/zinc/66/06/90/353660690.db2.gz XVCXXIHSRXECRV-GFCCVEGCSA-N 0 3 321.381 1.621 20 5 DDBDHN Cc1nc(NC2CCN([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000089603554 353776662 /nfs/dbraw/zinc/77/66/62/353776662.db2.gz XMVIPFBJNPDKFN-ZDUSSCGKSA-N 0 3 306.366 1.963 20 5 DDBDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000345840118 283002966 /nfs/dbraw/zinc/00/29/66/283002966.db2.gz HBEDFGBYRASSCU-VXGBXAGGSA-N 0 3 307.350 1.608 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCCc3sccc32)c1 ZINC000315531643 354494846 /nfs/dbraw/zinc/49/48/46/354494846.db2.gz HDFADFVJGBEWIW-AAEUAGOBSA-N 0 3 322.390 1.881 20 5 DDBDHN Cc1ccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864064 354944109 /nfs/dbraw/zinc/94/41/09/354944109.db2.gz ZWTFBWLLUHNZFK-UONOGXRCSA-N 0 3 319.361 1.184 20 5 DDBDHN CN1C[C@H]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590010573 355040695 /nfs/dbraw/zinc/04/06/95/355040695.db2.gz PDPQJENEMDJWFL-RISCZKNCSA-N 0 3 304.350 1.169 20 5 DDBDHN CN1CCC[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000589836343 355024355 /nfs/dbraw/zinc/02/43/55/355024355.db2.gz AMRCYFFKKBVLJS-SECBINFHSA-N 0 3 313.304 1.626 20 5 DDBDHN O=C(CNc1cccnc1[N+](=O)[O-])NCCN1CCCCCC1 ZINC000590062606 355045475 /nfs/dbraw/zinc/04/54/75/355045475.db2.gz ZQWQHAROWJHCKW-UHFFFAOYSA-N 0 3 321.381 1.394 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590446504 355099593 /nfs/dbraw/zinc/09/95/93/355099593.db2.gz VZFCVKRQXNRXCN-MFKMUULPSA-N 0 3 305.334 1.380 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@H]1C1(O)CC1 ZINC000590969161 355226295 /nfs/dbraw/zinc/22/62/95/355226295.db2.gz RZEYIOYMBFCNRZ-ZDUSSCGKSA-N 0 3 307.350 1.136 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)C[C@@H]2CCCN2C)c1 ZINC000591505414 355322254 /nfs/dbraw/zinc/32/22/54/355322254.db2.gz HWYJHODJVYIEAQ-AWEZNQCLSA-N 0 3 321.377 1.907 20 5 DDBDHN C[C@@H]1C[C@@H]1c1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000591729269 355374094 /nfs/dbraw/zinc/37/40/94/355374094.db2.gz YNHLQCAURCNXJE-QKCSRTOESA-N 0 3 320.349 1.658 20 5 DDBDHN COc1ccc(CC(=O)N2CCN[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000592244427 355545946 /nfs/dbraw/zinc/54/59/46/355545946.db2.gz BYWARHGQCYDNBC-CYBMUJFWSA-N 0 3 321.377 1.602 20 5 DDBDHN COC(=O)[C@@H]1CNCCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000592435279 355583801 /nfs/dbraw/zinc/58/38/01/355583801.db2.gz SFIHUCMJWXLWNN-SZTZYQKNSA-N 0 3 319.361 1.445 20 5 DDBDHN CC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)O ZINC000592431091 355580983 /nfs/dbraw/zinc/58/09/83/355580983.db2.gz ZMRFPCLIEJIXMN-ZWNOBZJWSA-N 0 3 316.379 1.118 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2CCOC[C@H]2C)c1 ZINC000593027065 355773538 /nfs/dbraw/zinc/77/35/38/355773538.db2.gz JTVRXGGLSDGBCD-ZWNOBZJWSA-N 0 3 308.334 1.896 20 5 DDBDHN CN(CCN1CCCCC1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000593175802 355817754 /nfs/dbraw/zinc/81/77/54/355817754.db2.gz DJWHKRBFNBJMKC-UHFFFAOYSA-N 0 3 307.354 1.361 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000593588729 355935105 /nfs/dbraw/zinc/93/51/05/355935105.db2.gz LXBKQCNUTCIOFL-ABAIWWIYSA-N 0 3 321.352 1.829 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594200414 356138294 /nfs/dbraw/zinc/13/82/94/356138294.db2.gz LVXPZTJKPOFQEM-NEPJUHHUSA-N 0 3 321.381 1.383 20 5 DDBDHN C[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000177347389 198708324 /nfs/dbraw/zinc/70/83/24/198708324.db2.gz YHLJZEPYDFZOBZ-SNVBAGLBSA-N 0 3 313.379 1.261 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[C@]1(O)CCOC1 ZINC000595048172 356376541 /nfs/dbraw/zinc/37/65/41/356376541.db2.gz VYDHPBPMIUOXEH-NHYWBVRUSA-N 0 3 310.350 1.796 20 5 DDBDHN Cc1noc(CN2CCN(C3CCOCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595480449 356510272 /nfs/dbraw/zinc/51/02/72/356510272.db2.gz KMVALUJLMYWVBN-LLVKDONJSA-N 0 3 324.381 1.576 20 5 DDBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@H](Cn3ccnn3)C2)c1 ZINC000595608478 356575876 /nfs/dbraw/zinc/57/58/76/356575876.db2.gz QVHLHURTPITNGN-ZDUSSCGKSA-N 0 3 317.349 1.587 20 5 DDBDHN COC(=O)[C@H]1C[C@@H](N(C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595847558 356676013 /nfs/dbraw/zinc/67/60/13/356676013.db2.gz GWXDRDMSNXIELO-BJHJDKERSA-N 0 3 308.334 1.857 20 5 DDBDHN CCN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000596209674 356815726 /nfs/dbraw/zinc/81/57/26/356815726.db2.gz BAZICVRZUKBSFR-CQSZACIVSA-N 0 3 306.366 1.830 20 5 DDBDHN CC(C)(C)N1CC[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000596336604 356860250 /nfs/dbraw/zinc/86/02/50/356860250.db2.gz QOKRCLBIWHKDKU-SECBINFHSA-N 0 3 307.354 1.373 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000597619969 357258465 /nfs/dbraw/zinc/25/84/65/357258465.db2.gz LKFQDLFVHPJEJV-LBPRGKRZSA-N 0 3 322.365 1.250 20 5 DDBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](CO)CN(C)C ZINC000597654551 357270107 /nfs/dbraw/zinc/27/01/07/357270107.db2.gz TYXUCIHDGMYHRY-JTQLQIEISA-N 0 3 315.757 1.209 20 5 DDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000597858577 357361295 /nfs/dbraw/zinc/36/12/95/357361295.db2.gz NOXNVAOGPGTAPD-GFCCVEGCSA-N 0 3 320.393 1.996 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1COCCN1C ZINC000599081686 357808961 /nfs/dbraw/zinc/80/89/61/357808961.db2.gz UFEMJGUYRREWOU-YPMHNXCESA-N 0 3 309.366 1.585 20 5 DDBDHN COC(=O)C[C@H](NCc1c([N+](=O)[O-])ncn1C)C1CCCCC1 ZINC000347958504 283306617 /nfs/dbraw/zinc/30/66/17/283306617.db2.gz LBQCWOPVSOTSJH-LBPRGKRZSA-N 0 3 324.381 1.930 20 5 DDBDHN C[C@@H]1CC(F)(F)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599623363 357996411 /nfs/dbraw/zinc/99/64/11/357996411.db2.gz OXUUFODZMDMABX-KOLCDFICSA-N 0 3 304.297 1.272 20 5 DDBDHN C[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180531146 199171833 /nfs/dbraw/zinc/17/18/33/199171833.db2.gz KYMQVRDPRBGTDJ-SNVBAGLBSA-N 0 3 307.354 1.176 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN2C2CCCC2)n1 ZINC000600474012 358234956 /nfs/dbraw/zinc/23/49/56/358234956.db2.gz WCKNKPKIEPYOEG-NSHDSACASA-N 0 3 307.354 1.075 20 5 DDBDHN CC1(C)C[C@@H](NC[C@@H]2COCCN2)c2cc([N+](=O)[O-])ccc21 ZINC000600710191 358290727 /nfs/dbraw/zinc/29/07/27/358290727.db2.gz MOLYBSQQGQYEOI-IAQYHMDHSA-N 0 3 305.378 1.895 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCC[C@H]1CCO ZINC000348155286 283393939 /nfs/dbraw/zinc/39/39/39/283393939.db2.gz BYFQUVZCXWMXOM-GXTWGEPZSA-N 0 3 321.377 1.982 20 5 DDBDHN COC[C@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCCCN1 ZINC000602441866 358979170 /nfs/dbraw/zinc/97/91/70/358979170.db2.gz ZHZRRGPRAAKEDN-HNNXBMFYSA-N 0 3 307.350 1.370 20 5 DDBDHN CO[C@@]1(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCOC1 ZINC000602472612 359001447 /nfs/dbraw/zinc/00/14/47/359001447.db2.gz JBTCOSOISMCYIR-SWLSCSKDSA-N 0 3 322.365 1.282 20 5 DDBDHN Cn1cc(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484129 359009793 /nfs/dbraw/zinc/00/97/93/359009793.db2.gz HPIFYHOSWNSOLR-IUODEOHRSA-N 0 3 319.409 1.777 20 5 DDBDHN C[C@H]1CN(CCN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000602963673 359326054 /nfs/dbraw/zinc/32/60/54/359326054.db2.gz YHHHEXCGIUBFBN-BBRMVZONSA-N 0 3 323.393 1.113 20 5 DDBDHN Cc1nccn1CCCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963507 359326657 /nfs/dbraw/zinc/32/66/57/359326657.db2.gz WZOIEITUECSGHU-INIZCTEOSA-N 0 3 318.377 1.987 20 5 DDBDHN CN1CCC(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000188535230 200262898 /nfs/dbraw/zinc/26/28/98/200262898.db2.gz HQFVBWFFJLYUOK-UHFFFAOYSA-N 0 3 319.361 1.526 20 5 DDBDHN Cc1cc(OCC(=O)NC2(CN(C)C)CCC2)ccc1[N+](=O)[O-] ZINC000281137221 216104980 /nfs/dbraw/zinc/10/49/80/216104980.db2.gz UTKROVBMKSZCPV-UHFFFAOYSA-N 0 3 321.377 1.883 20 5 DDBDHN CN(C)CCO[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000610764403 360531148 /nfs/dbraw/zinc/53/11/48/360531148.db2.gz GXGBJEBBASXECG-NSHDSACASA-N 0 3 314.773 1.800 20 5 DDBDHN CC(C)(CNCCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000093519740 193263230 /nfs/dbraw/zinc/26/32/30/193263230.db2.gz PMGOHMRIUJNNOP-UHFFFAOYSA-N 0 3 300.380 1.550 20 5 DDBDHN COc1cc(OCC(=O)N2CCN[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262734377 203395412 /nfs/dbraw/zinc/39/54/12/203395412.db2.gz CCEHEYLHJOLBBZ-MNOVXSKESA-N 0 3 323.349 1.191 20 5 DDBDHN CN(C(=O)CN[C@@H]1CCC[C@]1(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000351520804 284359567 /nfs/dbraw/zinc/35/95/67/284359567.db2.gz YLIBFNZHBSDXDG-GDBMZVCRSA-N 0 3 321.377 1.698 20 5 DDBDHN COc1cccc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000334103049 249215336 /nfs/dbraw/zinc/21/53/36/249215336.db2.gz IAGMSTNGCWECQK-MNOVXSKESA-N 0 3 307.350 1.816 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000268213357 206548053 /nfs/dbraw/zinc/54/80/53/206548053.db2.gz AZOSRUCRJISFRS-JSGCOSHPSA-N 0 3 320.349 1.972 20 5 DDBDHN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)CO ZINC000274125285 211377573 /nfs/dbraw/zinc/37/75/73/211377573.db2.gz XNRVQAJXJBXDSL-RKDXNWHRSA-N 0 3 315.757 1.793 20 5 DDBDHN CC1(C)NC(=O)CC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000338595040 250048549 /nfs/dbraw/zinc/04/85/49/250048549.db2.gz COOFVXBHXBWIKD-LBPRGKRZSA-N 0 3 320.349 1.180 20 5 DDBDHN Cc1cc(C(=O)NC[C@@](C)(O)CCN(C)C)ccc1[N+](=O)[O-] ZINC000352113110 284794077 /nfs/dbraw/zinc/79/40/77/284794077.db2.gz ZOAUBARFKATSHF-HNNXBMFYSA-N 0 3 309.366 1.336 20 5 DDBDHN CC[C@@H](NC(=O)C[C@@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000269248346 207385924 /nfs/dbraw/zinc/38/59/24/207385924.db2.gz QZKVRLGGFXEOGG-ZIAGYGMSSA-N 0 3 307.350 1.541 20 5 DDBDHN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1=CCN(C)CC1 ZINC000272915914 210304185 /nfs/dbraw/zinc/30/41/85/210304185.db2.gz JWRVJVLPGVHNJX-VIFPVBQESA-N 0 3 322.340 1.696 20 5 DDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000120690920 195217845 /nfs/dbraw/zinc/21/78/45/195217845.db2.gz HMGIBVXCJZTOJJ-DOMZBBRYSA-N 0 3 321.377 1.772 20 5 DDBDHN C[C@H]1CSC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000352802352 285311601 /nfs/dbraw/zinc/31/16/01/285311601.db2.gz VSHSRXUZPXOAAN-GWCFXTLKSA-N 0 3 321.402 1.825 20 5 DDBDHN COc1ccc(CNC(=O)[C@H]2NCCCC2(C)C)cc1[N+](=O)[O-] ZINC000423054247 533645141 /nfs/dbraw/zinc/64/51/41/533645141.db2.gz BOGGTIFCYYEHQU-CQSZACIVSA-N 0 3 321.377 1.998 20 5 DDBDHN CCN(CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000012141634 406835363 /nfs/dbraw/zinc/83/53/63/406835363.db2.gz HCNUMCUZVRGASZ-UHFFFAOYSA-N 0 3 315.395 1.523 20 5 DDBDHN Cc1c(C(=O)N2CCN(CCN(C)C)CC2)cccc1[N+](=O)[O-] ZINC000053304977 407166807 /nfs/dbraw/zinc/16/68/07/407166807.db2.gz LQAQXPZNVACZLF-UHFFFAOYSA-N 0 3 320.393 1.223 20 5 DDBDHN CN(C)CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000122832371 407312073 /nfs/dbraw/zinc/31/20/73/407312073.db2.gz URPVMHBQHVUIFP-UHFFFAOYSA-N 0 3 303.322 1.072 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2CCCN(CCC)CC2)c1[N+](=O)[O-] ZINC000127023765 407426155 /nfs/dbraw/zinc/42/61/55/407426155.db2.gz KPDVNHHIYNDPOK-UHFFFAOYSA-N 0 3 323.397 1.828 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2CCCN(CCC)CC2)c1[N+](=O)[O-] ZINC000127023765 407426156 /nfs/dbraw/zinc/42/61/56/407426156.db2.gz KPDVNHHIYNDPOK-UHFFFAOYSA-N 0 3 323.397 1.828 20 5 DDBDHN O=[N+]([O-])c1ccccc1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000178500855 407473823 /nfs/dbraw/zinc/47/38/23/407473823.db2.gz TVOZUXVQIITZGK-AWEZNQCLSA-N 0 3 305.378 1.749 20 5 DDBDHN CCN(C)CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000112926435 407447690 /nfs/dbraw/zinc/44/76/90/407447690.db2.gz QOQZAUXUDWCZJP-UHFFFAOYSA-N 0 3 317.349 1.462 20 5 DDBDHN NC(=O)c1ccc(CN2CCC3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000266630156 407586736 /nfs/dbraw/zinc/58/67/36/407586736.db2.gz PAELFWUISSJFBJ-UHFFFAOYSA-N 0 3 319.361 1.696 20 5 DDBDHN C[C@H](N[C@@H](CC(N)=O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000181934236 306701114 /nfs/dbraw/zinc/70/11/14/306701114.db2.gz GRWSKKQOZHZGRM-NHYWBVRUSA-N 0 3 321.377 1.916 20 5 DDBDHN CN(CCN(C)C1CC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000186801141 407771944 /nfs/dbraw/zinc/77/19/44/407771944.db2.gz CZKDZXAVXXFKRF-UHFFFAOYSA-N 0 3 306.366 1.559 20 5 DDBDHN Cc1sc(C(=O)NCC2(O)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000267215314 407793256 /nfs/dbraw/zinc/79/32/56/407793256.db2.gz ZNXNNSMEGJGQKV-UHFFFAOYSA-N 0 3 313.379 1.151 20 5 DDBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H](N2CCCCC2)C1 ZINC000153681848 407877087 /nfs/dbraw/zinc/87/70/87/407877087.db2.gz XJZDMMRPJONMJB-LLVKDONJSA-N 0 3 307.354 1.408 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000268102273 407890525 /nfs/dbraw/zinc/89/05/25/407890525.db2.gz FTHXKLZLDONKFT-BXUZGUMPSA-N 0 3 318.377 1.877 20 5 DDBDHN CN(C)C[C@H]1CCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000268128439 407905043 /nfs/dbraw/zinc/90/50/43/407905043.db2.gz LWBLSJZRXUBDTP-CYBMUJFWSA-N 0 3 321.377 1.916 20 5 DDBDHN Cc1ccc([C@H](C)NC[C@@H](O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000181830957 408043721 /nfs/dbraw/zinc/04/37/21/408043721.db2.gz XGFWDNLRUCQRMJ-DZGCQCFKSA-N 0 3 323.393 1.247 20 5 DDBDHN C[C@H](c1cccc(O)c1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245452278 407986173 /nfs/dbraw/zinc/98/61/73/407986173.db2.gz QFZOFCAXHORIPK-IAQYHMDHSA-N 0 3 320.349 1.551 20 5 DDBDHN C[C@@H]1CCCCN1CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000175993617 408258138 /nfs/dbraw/zinc/25/81/38/408258138.db2.gz VXXLQYZGWAYKGB-LLVKDONJSA-N 0 3 306.366 1.781 20 5 DDBDHN C[C@H](O)[C@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246313997 408217547 /nfs/dbraw/zinc/21/75/47/408217547.db2.gz GPYKWJJWLXWZFD-JGGQBBKZSA-N 0 3 324.377 1.570 20 5 DDBDHN COCC[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273493837 408223196 /nfs/dbraw/zinc/22/31/96/408223196.db2.gz XJEGLZWTWDKQJQ-NSHDSACASA-N 0 3 316.379 1.383 20 5 DDBDHN CN(CC1CCN(C)CC1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176484403 408377250 /nfs/dbraw/zinc/37/72/50/408377250.db2.gz XJBBNCRHXKFKCC-UHFFFAOYSA-N 0 3 306.366 1.591 20 5 DDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H](O)CN1CCCCC1 ZINC000160457957 408484260 /nfs/dbraw/zinc/48/42/60/408484260.db2.gz ZEXNIVLWHQALCW-HNNXBMFYSA-N 0 3 321.377 1.100 20 5 DDBDHN COCCN(C)CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264521748 408522947 /nfs/dbraw/zinc/52/29/47/408522947.db2.gz GJCWXUMJWTXKAC-UHFFFAOYSA-N 0 3 320.349 1.384 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270414109 408526659 /nfs/dbraw/zinc/52/66/59/408526659.db2.gz SCHDRSYYDYRGBY-HNNXBMFYSA-N 0 3 320.393 1.921 20 5 DDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000247410644 408468855 /nfs/dbraw/zinc/46/88/55/408468855.db2.gz NFQPZUUGNMGDEL-GXTWGEPZSA-N 0 3 305.378 1.936 20 5 DDBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000248446233 408568898 /nfs/dbraw/zinc/56/88/98/408568898.db2.gz WQRUBPNGLYTCSS-MNOVXSKESA-N 0 3 321.381 1.422 20 5 DDBDHN C[C@@H](c1cccnc1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270680739 408633466 /nfs/dbraw/zinc/63/34/66/408633466.db2.gz UPNOSDPQCLECKZ-FZMZJTMJSA-N 0 3 305.338 1.240 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCCN1C ZINC000195132096 408812607 /nfs/dbraw/zinc/81/26/07/408812607.db2.gz KJKPHWAYMSSCGP-ZDUSSCGKSA-N 0 3 322.365 1.497 20 5 DDBDHN CN(C)[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CCSC1 ZINC000276518261 408873719 /nfs/dbraw/zinc/87/37/19/408873719.db2.gz LXASYIPJUOGMRB-AWEZNQCLSA-N 0 3 324.406 1.344 20 5 DDBDHN C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCN(C2CCC2)C1 ZINC000292510047 409034430 /nfs/dbraw/zinc/03/44/30/409034430.db2.gz YAZAOFINFHRENX-LBPRGKRZSA-N 0 3 321.381 1.124 20 5 DDBDHN CN(CCCN1C(=O)CNC1=O)CCc1cccc([N+](=O)[O-])c1 ZINC000282343771 409037724 /nfs/dbraw/zinc/03/77/24/409037724.db2.gz CBELGARFVYXTGV-UHFFFAOYSA-N 0 3 320.349 1.011 20 5 DDBDHN COC[C@H](NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000279011177 409131555 /nfs/dbraw/zinc/13/15/55/409131555.db2.gz FKOSCPJOQDOQDD-LSDHHAIUSA-N 0 3 310.350 1.757 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)n1 ZINC000331520387 409594092 /nfs/dbraw/zinc/59/40/92/409594092.db2.gz FTFHCPNPHRYGIW-NWDGAFQWSA-N 0 3 321.381 1.510 20 5 DDBDHN C[C@H](Sc1nnnn1CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000337954673 409598562 /nfs/dbraw/zinc/59/85/62/409598562.db2.gz JGIUPXOHSOJYOW-JTQLQIEISA-N 0 3 322.394 1.996 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000342451400 409642181 /nfs/dbraw/zinc/64/21/81/409642181.db2.gz PAVZHJAPORMNHZ-XPTSAGLGSA-N 0 3 304.350 1.511 20 5 DDBDHN O=C(NCCNc1ccncc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000338061168 409688730 /nfs/dbraw/zinc/68/87/30/409688730.db2.gz WBJMIPSWVQFQSZ-UHFFFAOYSA-N 0 3 301.306 1.645 20 5 DDBDHN CCC[C@@H](NC(C)C)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000352044131 410438629 /nfs/dbraw/zinc/43/86/29/410438629.db2.gz FJFAWLRTNNYUAL-CYBMUJFWSA-N 0 3 319.365 2.576 20 5 DDBDHN Cc1c(CO)cc([N+](=O)[O-])c(NC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000301067316 410650249 /nfs/dbraw/zinc/65/02/49/410650249.db2.gz CXEMDTLWCSKJTP-UHFFFAOYSA-N 0 3 324.337 1.810 20 5 DDBDHN Cn1c(C(=O)N2CC[C@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000356300142 410954781 /nfs/dbraw/zinc/95/47/81/410954781.db2.gz OERNBOUUNRRSMO-OAHLLOKOSA-N 0 3 306.366 1.491 20 5 DDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000356466632 411045889 /nfs/dbraw/zinc/04/58/89/411045889.db2.gz YAEFJMJWABGLCA-SNVBAGLBSA-N 0 3 307.354 1.075 20 5 DDBDHN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C)CN1CCO ZINC000419334998 226122021 /nfs/dbraw/zinc/12/20/21/226122021.db2.gz VYAZMLAXPPUEJS-KGLIPLIRSA-N 0 3 323.393 1.361 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)[C@@H](C)[NH3+])cc1C ZINC000381427562 418729220 /nfs/dbraw/zinc/72/92/20/418729220.db2.gz BWOJGLJRNQZPSZ-ZJUUUORDSA-N 0 3 301.368 1.226 20 5 DDBDHN COc1ccc(CN[C@H](CO)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000411993538 419552472 /nfs/dbraw/zinc/55/24/72/419552472.db2.gz LNHJITFQZPTNJN-QWHCGFSZSA-N 0 3 310.350 1.481 20 5 DDBDHN Cc1c(CC(=O)N(C)C[C@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000421711536 419697042 /nfs/dbraw/zinc/69/70/42/419697042.db2.gz OPCJFYNAAXPLTL-CQSZACIVSA-N 0 3 305.378 1.998 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1CCN(C2CC2)CC1 ZINC000299277840 229025241 /nfs/dbraw/zinc/02/52/41/229025241.db2.gz MXZZIMBEKINXHL-UHFFFAOYSA-N 0 3 321.381 1.233 20 5 DDBDHN COCCN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCSC1 ZINC000433195555 229171933 /nfs/dbraw/zinc/17/19/33/229171933.db2.gz WINCLHJXUMMCDX-LBPRGKRZSA-N 0 3 314.411 1.635 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCNC[C@](C)(F)C1 ZINC000420343866 420222089 /nfs/dbraw/zinc/22/20/89/420222089.db2.gz RVUBVPMQRGVMMH-HNNXBMFYSA-N 0 3 324.356 1.475 20 5 DDBDHN CN(C)C1(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000416305933 420321320 /nfs/dbraw/zinc/32/13/20/420321320.db2.gz YSEXFVFYCHRKDR-UHFFFAOYSA-N 0 3 302.334 1.900 20 5 DDBDHN Cc1ccc(S(=O)(=O)NC[C@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC000416495276 420395246 /nfs/dbraw/zinc/39/52/46/420395246.db2.gz LCUXQAOCDYPOSI-LLVKDONJSA-N 0 3 313.379 1.133 20 5 DDBDHN CNc1nc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000457084948 420605275 /nfs/dbraw/zinc/60/52/75/420605275.db2.gz GYXWGXZXRRVXAJ-LLVKDONJSA-N 0 3 321.381 1.586 20 5 DDBDHN CNc1c(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000452978657 420694001 /nfs/dbraw/zinc/69/40/01/420694001.db2.gz SIHHIHYDDRIASG-GXFFZTMASA-N 0 3 304.350 1.413 20 5 DDBDHN COC(=O)c1cc(NC(=O)[C@@H](C)NC2CC2)cc([N+](=O)[O-])c1 ZINC000449248830 420975585 /nfs/dbraw/zinc/97/55/85/420975585.db2.gz HXWOOOVOYQJINQ-MRVPVSSYSA-N 0 3 307.306 1.460 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)NCC(F)F ZINC000449302508 420985913 /nfs/dbraw/zinc/98/59/13/420985913.db2.gz VOANMAOSPOVKJK-VIFPVBQESA-N 0 3 301.293 1.497 20 5 DDBDHN CNc1nc(C(=O)N(CCN(C)C)CC(C)C)ccc1[N+](=O)[O-] ZINC000455524798 421029960 /nfs/dbraw/zinc/02/99/60/421029960.db2.gz OVFCWRXEWQKZIL-UHFFFAOYSA-N 0 3 323.397 1.691 20 5 DDBDHN COCCCN(C)CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488096190 421068903 /nfs/dbraw/zinc/06/89/03/421068903.db2.gz KTGJKNFGXNPXJH-UHFFFAOYSA-N 0 3 318.377 1.945 20 5 DDBDHN CNc1nc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000455906633 421075590 /nfs/dbraw/zinc/07/55/90/421075590.db2.gz GLAYHKVWDQNKHC-ZYHUDNBSSA-N 0 3 321.381 1.490 20 5 DDBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@H]3COCCO3)CC2)cc1 ZINC000450462376 421200455 /nfs/dbraw/zinc/20/04/55/421200455.db2.gz ZTIXHLPBRJDCIW-INIZCTEOSA-N 0 3 322.361 1.853 20 5 DDBDHN O=C1CC[C@H](CN2CCc3ccc([N+](=O)[O-])cc3C2)CCN1 ZINC000450481986 421202616 /nfs/dbraw/zinc/20/26/16/421202616.db2.gz FZLXJNBOWSGJTQ-LBPRGKRZSA-N 0 3 303.362 1.869 20 5 DDBDHN CNc1ccc(C(=O)NCCN(C)CCCOC)cc1[N+](=O)[O-] ZINC000525092898 421277845 /nfs/dbraw/zinc/27/78/45/421277845.db2.gz LMAQDNKWXPEOCO-UHFFFAOYSA-N 0 3 324.381 1.335 20 5 DDBDHN CN(C)C1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCC1 ZINC000526120986 421333199 /nfs/dbraw/zinc/33/31/99/421333199.db2.gz PIYUYJBZZBMXOR-UHFFFAOYSA-N 0 3 321.333 1.538 20 5 DDBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000553785425 421625652 /nfs/dbraw/zinc/62/56/52/421625652.db2.gz ZEFLTRVISQPIRV-HUBLWGQQSA-N 0 3 318.377 1.792 20 5 DDBDHN CC[NH+](CC)CCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000531247458 421627676 /nfs/dbraw/zinc/62/76/76/421627676.db2.gz QAFWQOYOLNNHLI-UHFFFAOYSA-N 0 3 316.383 1.000 20 5 DDBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000519587094 421703309 /nfs/dbraw/zinc/70/33/09/421703309.db2.gz LNUWMZMVLXZWFJ-UHFFFAOYSA-N 0 3 323.378 1.583 20 5 DDBDHN CN1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000521114075 421773799 /nfs/dbraw/zinc/77/37/99/421773799.db2.gz RAXKJPYPMKFHGU-SNVBAGLBSA-N 0 3 321.333 1.048 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCNC(=O)c1ccn[nH]1 ZINC000540953242 421778600 /nfs/dbraw/zinc/77/86/00/421778600.db2.gz QDHFQDWUKJGBCA-LLVKDONJSA-N 0 3 317.349 1.707 20 5 DDBDHN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCCN1 ZINC000521625997 421795909 /nfs/dbraw/zinc/79/59/09/421795909.db2.gz BWKAYBDSBCJNOR-LBPRGKRZSA-N 0 3 303.322 1.942 20 5 DDBDHN CC(C)n1cc([C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000544469403 421844972 /nfs/dbraw/zinc/84/49/72/421844972.db2.gz RTQZRYZBVFWPGC-BXUZGUMPSA-N 0 3 322.369 1.280 20 5 DDBDHN NC(=O)CCNCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000574512430 422123706 /nfs/dbraw/zinc/12/37/06/422123706.db2.gz RCYSIMJNNPDIFK-UHFFFAOYSA-N 0 3 320.271 1.491 20 5 DDBDHN CC(C)(C)N1CC[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000596305779 422374120 /nfs/dbraw/zinc/37/41/20/422374120.db2.gz AIOGMCZJIJTZIU-JTQLQIEISA-N 0 3 304.354 1.922 20 5 DDBDHN Nc1nccc(C(=O)NC[C@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000600469291 422411214 /nfs/dbraw/zinc/41/12/14/422411214.db2.gz JCDYSLYCGFVORQ-LLVKDONJSA-N 0 3 319.365 1.319 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000577973967 422470947 /nfs/dbraw/zinc/47/09/47/422470947.db2.gz QPWVWXQPEDAGSW-NSHDSACASA-N 0 3 310.354 1.223 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000179707904 263362419 /nfs/dbraw/zinc/36/24/19/263362419.db2.gz RSFUGUNRKRMGOE-UHFFFAOYSA-N 0 3 321.381 1.419 20 5 DDBDHN Cc1c(NC(=O)NCCNc2ccncc2)cccc1[N+](=O)[O-] ZINC000345781813 272333252 /nfs/dbraw/zinc/33/32/52/272333252.db2.gz WQBNYWFEQNFPBS-UHFFFAOYSA-N 0 3 315.333 1.954 20 5 DDBDHN C[C@@H](CC(N)=O)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000345848486 272349650 /nfs/dbraw/zinc/34/96/50/272349650.db2.gz JFYWHDLDAGTMID-JTQLQIEISA-N 0 3 317.349 1.349 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)CS(C)(=O)=O ZINC000449148626 274231131 /nfs/dbraw/zinc/23/11/31/274231131.db2.gz UBHBUDCAZWKHJU-QWRGUYRKSA-N 0 3 300.380 1.549 20 5 DDBDHN C[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000286754033 274363980 /nfs/dbraw/zinc/36/39/80/274363980.db2.gz RWGJHBQEBSEEEN-LLVKDONJSA-N 0 3 308.382 1.458 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2([NH3+])CCC2)cc1C ZINC000230053852 274723045 /nfs/dbraw/zinc/72/30/45/274723045.db2.gz FBDAOFQUYYAJKR-UHFFFAOYSA-N 0 3 313.379 1.371 20 5 DDBDHN CCN(CC)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000012141569 276099393 /nfs/dbraw/zinc/09/93/93/276099393.db2.gz UOEFOSHQXPBPMJ-UHFFFAOYSA-N 0 3 315.395 1.523 20 5 DDBDHN C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)N(C)C1CC1 ZINC000181465874 279345300 /nfs/dbraw/zinc/34/53/00/279345300.db2.gz SGSCRUKHOVTNPE-SECBINFHSA-N 0 3 321.333 1.536 20 5 DDBDHN CN(C)[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000264003219 289316227 /nfs/dbraw/zinc/31/62/27/289316227.db2.gz SXQKQZLATBERRL-SNVBAGLBSA-N 0 3 321.333 1.142 20 5 DDBDHN COCCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CC[C@@H](C)C1 ZINC000362153846 300017846 /nfs/dbraw/zinc/01/78/46/300017846.db2.gz GIWMKFKJKPWSKO-KGLIPLIRSA-N 0 3 323.393 1.894 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)CNCC2 ZINC000362487501 300076302 /nfs/dbraw/zinc/07/63/02/300076302.db2.gz PUUFWPCSQPKNGD-UHFFFAOYSA-N 0 3 313.317 1.591 20 5 DDBDHN CC(C)N1CCN([C@H]2CCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000363918745 300325932 /nfs/dbraw/zinc/32/59/32/300325932.db2.gz HVXWGKUBNDKUSV-AWEZNQCLSA-N 0 3 319.409 1.595 20 5 DDBDHN Nc1ccc([N+](=O)[O-])c(NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000369207578 301145097 /nfs/dbraw/zinc/14/50/97/301145097.db2.gz QBSUTUOUBFBXON-CYBMUJFWSA-N 0 3 306.366 1.842 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CC[NH2+]C[C@@H]1C ZINC000262808409 302050180 /nfs/dbraw/zinc/05/01/80/302050180.db2.gz XNIHRYPAAWKSAO-QWRGUYRKSA-N 0 3 313.379 1.180 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000376496366 302084932 /nfs/dbraw/zinc/08/49/32/302084932.db2.gz WPVOEOTUALOYHW-HOTGVXAUSA-N 0 3 305.378 1.626 20 5 DDBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000376928224 302122511 /nfs/dbraw/zinc/12/25/11/302122511.db2.gz YXJKCTPKUCRFLJ-BNOWGMLFSA-N 0 3 321.381 1.686 20 5 DDBDHN C[C@H]1CC[C@H](C)N1CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000531054930 303227450 /nfs/dbraw/zinc/22/74/50/303227450.db2.gz LXFFABSSLDKSPZ-STQMWFEESA-N 0 3 321.377 1.963 20 5 DDBDHN NC(=O)c1ccnc(N2CCC[C@@H]2CN2CCCC2)c1[N+](=O)[O-] ZINC000290896432 303349651 /nfs/dbraw/zinc/34/96/51/303349651.db2.gz DKVXQOINZUEMQF-LLVKDONJSA-N 0 3 319.365 1.153 20 5 DDBDHN C[C@H](Sc1nnnn1CCN(C)C)c1ccccc1[N+](=O)[O-] ZINC000361449538 306995533 /nfs/dbraw/zinc/99/55/33/306995533.db2.gz NTOMOMLMKVSDAC-JTQLQIEISA-N 0 3 322.394 1.996 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCN3CCOCC3)C2)cc1 ZINC000364910977 307053733 /nfs/dbraw/zinc/05/37/33/307053733.db2.gz UMYSRMDQMIIRRT-HNNXBMFYSA-N 0 3 320.393 1.413 20 5 DDBDHN CNC(=O)c1ccc(N2CC[C@H]3CCN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000365018709 307056608 /nfs/dbraw/zinc/05/66/08/307056608.db2.gz ORTLMWBXFZELFR-ABAIWWIYSA-N 0 3 318.377 1.485 20 5 DDBDHN COC(=O)[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000366655084 307078769 /nfs/dbraw/zinc/07/87/69/307078769.db2.gz PPHGCWNJCJYTCS-KGLIPLIRSA-N 0 3 322.361 1.759 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)[C@H]2C1 ZINC000367253622 307089798 /nfs/dbraw/zinc/08/97/98/307089798.db2.gz SQYSIDXJDYWSPB-XPTSAGLGSA-N 0 3 322.340 1.482 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000566124238 308044622 /nfs/dbraw/zinc/04/46/22/308044622.db2.gz VFMWWVUEFRKARX-WDNDVIMCSA-N 0 3 310.375 1.757 20 5 DDBDHN CC1(C[NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000583745960 337328502 /nfs/dbraw/zinc/32/85/02/337328502.db2.gz KCXOAPLYQKIFOX-UHFFFAOYSA-N 0 3 313.379 1.263 20 5 DDBDHN CC(C)Oc1nc(NC[C@H]2CSCCN2)ccc1[N+](=O)[O-] ZINC000603418626 483933804 /nfs/dbraw/zinc/93/38/04/483933804.db2.gz IBAIWXVBSXAMCO-JTQLQIEISA-N 0 3 312.395 1.894 20 5 DDBDHN C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000292812989 534120595 /nfs/dbraw/zinc/12/05/95/534120595.db2.gz YGNGIIUNEOIWOU-SECBINFHSA-N 0 3 319.358 1.210 20 5 DDBDHN CCN1CCN(CCCNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413054227 529145310 /nfs/dbraw/zinc/14/53/10/529145310.db2.gz MYAWIRHZINWNDB-UHFFFAOYSA-N 0 3 311.361 1.568 20 5 DDBDHN C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736846951 598810079 /nfs/dbraw/zinc/81/00/79/598810079.db2.gz DFFLGBVPQQDTQU-SECBINFHSA-N 0 3 303.326 1.139 20 5 DDBDHN C[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736846951 598810081 /nfs/dbraw/zinc/81/00/81/598810081.db2.gz DFFLGBVPQQDTQU-SECBINFHSA-N 0 3 303.326 1.139 20 5 DDBDHN C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736846951 598810083 /nfs/dbraw/zinc/81/00/83/598810083.db2.gz DFFLGBVPQQDTQU-SECBINFHSA-N 0 3 303.326 1.139 20 5 DDBDHN C[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736846951 598810084 /nfs/dbraw/zinc/81/00/84/598810084.db2.gz DFFLGBVPQQDTQU-SECBINFHSA-N 0 3 303.326 1.139 20 5 DDBDHN C[NH+](C)CC(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821583386 599449018 /nfs/dbraw/zinc/44/90/18/599449018.db2.gz TXSBFNRFXGTTKA-UHFFFAOYSA-N 0 3 320.357 1.170 20 5 DDBDHN C[NH+](C)CC(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821583386 599449020 /nfs/dbraw/zinc/44/90/20/599449020.db2.gz TXSBFNRFXGTTKA-UHFFFAOYSA-N 0 3 320.357 1.170 20 5 DDBDHN COCC(=O)N1CCC(N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000985189338 697464936 /nfs/dbraw/zinc/46/49/36/697464936.db2.gz LTOOHDMQCVGPHV-UHFFFAOYSA-N 0 3 321.377 1.664 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@@H]1C ZINC000742237816 699868628 /nfs/dbraw/zinc/86/86/28/699868628.db2.gz PWVYBDFHSCSTBJ-NSHDSACASA-N 0 3 307.350 1.818 20 5 DDBDHN C[C@@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801914237 700352574 /nfs/dbraw/zinc/35/25/74/700352574.db2.gz UVKVENPCZWWDKD-SECBINFHSA-N 0 3 310.329 1.388 20 5 DDBDHN Cc1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000758336341 700699680 /nfs/dbraw/zinc/69/96/80/700699680.db2.gz PVEFHNWFDPSHDM-ZWNOBZJWSA-N 0 3 318.377 1.698 20 5 DDBDHN Cn1cc([C@H](O)CNCc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000761527291 700862693 /nfs/dbraw/zinc/86/26/93/700862693.db2.gz SCZQSBXVYQBUFK-CYBMUJFWSA-N 0 3 310.741 1.805 20 5 DDBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H](CO)CN1CCCC1 ZINC000808223812 701509342 /nfs/dbraw/zinc/50/93/42/701509342.db2.gz ZKNZGPVZFSLHFI-GPAKFWEMSA-N 0 3 319.361 1.181 20 5 DDBDHN CN1CCN(C2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000866211895 706650484 /nfs/dbraw/zinc/65/04/84/706650484.db2.gz ABMJLASBRPCAFA-UHFFFAOYSA-N 0 3 322.384 1.950 20 5 DDBDHN CCc1nc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1ccccc1F ZINC000813100756 702290097 /nfs/dbraw/zinc/29/00/97/702290097.db2.gz WNLJAZHSIOJLHH-SECBINFHSA-N 0 3 322.296 1.791 20 5 DDBDHN CC(COC(=O)[C@@H](C)n1ccc2ccccc2c1=O)[N+](=O)[O-] ZINC000813103670 702292072 /nfs/dbraw/zinc/29/20/72/702292072.db2.gz DQDZRROIYCMBRM-GHMZBOCLSA-N 0 3 304.302 1.771 20 5 DDBDHN CCc1ccc(S(C)(=O)=O)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106161 702293152 /nfs/dbraw/zinc/29/31/52/702293152.db2.gz ZQGCKXYXGUZKCH-VIFPVBQESA-N 0 3 315.347 1.475 20 5 DDBDHN CCS(=O)(=O)c1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105100 702293156 /nfs/dbraw/zinc/29/31/56/702293156.db2.gz JNZQPCAYFRFUPE-JTQLQIEISA-N 0 3 315.347 1.231 20 5 DDBDHN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813110530 702296211 /nfs/dbraw/zinc/29/62/11/702296211.db2.gz COORYLFRYFNBHN-GXTWGEPZSA-N 0 3 322.361 1.722 20 5 DDBDHN CC(COC(=O)CSc1ccc2c(c1)OCCO2)[N+](=O)[O-] ZINC000813114187 702299427 /nfs/dbraw/zinc/29/94/27/702299427.db2.gz ZTFOKTUNDUBCNT-SECBINFHSA-N 0 3 313.331 1.758 20 5 DDBDHN O=C(NC[C@@H]1CNCCO1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841104261 702348282 /nfs/dbraw/zinc/34/82/82/702348282.db2.gz WERVGVWSNKKBOX-VIFPVBQESA-N 0 3 314.729 1.358 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](CCO)C2CC2)c1 ZINC000844319207 703012493 /nfs/dbraw/zinc/01/24/93/703012493.db2.gz VROHUSXBARKIHR-CYBMUJFWSA-N 0 3 308.334 1.632 20 5 DDBDHN CC(COC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)[N+](=O)[O-] ZINC000851036456 703774955 /nfs/dbraw/zinc/77/49/55/703774955.db2.gz ICURYSLOAPBKSK-SECBINFHSA-N 0 3 306.318 1.763 20 5 DDBDHN CC[C@@H]([NH3+])C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765064 704621969 /nfs/dbraw/zinc/62/19/69/704621969.db2.gz KAIXXDJOZUOZLH-MRVPVSSYSA-N 0 3 303.265 1.420 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874827077 705185518 /nfs/dbraw/zinc/18/55/18/705185518.db2.gz AXDOFSOVTYSJAD-UONOGXRCSA-N 0 3 319.361 1.912 20 5 DDBDHN CN(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861719174 705550679 /nfs/dbraw/zinc/55/06/79/705550679.db2.gz XWIIEZCOZSXPNV-GFCCVEGCSA-N 0 3 317.345 1.400 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000862725281 705785476 /nfs/dbraw/zinc/78/54/76/705785476.db2.gz XIEMTASGAXGOAJ-CYBMUJFWSA-N 0 3 317.349 1.155 20 5 DDBDHN COC[C@H](O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872071218 707287935 /nfs/dbraw/zinc/28/79/35/707287935.db2.gz ZXMVTIIRXADMFQ-GXSJLCMTSA-N 0 3 300.380 1.975 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](CO)CN1CCCC1 ZINC000879989348 706844976 /nfs/dbraw/zinc/84/49/76/706844976.db2.gz FTRNGJMSKWYZFC-CYBMUJFWSA-N 0 3 321.377 1.398 20 5 DDBDHN CS(=O)(=O)[C@H]1C[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000883378972 707987967 /nfs/dbraw/zinc/98/79/67/707987967.db2.gz HSFDICBPOVUDGD-INJBESJKSA-N 0 3 310.375 1.773 20 5 DDBDHN C[C@H](CNC(=O)N(C)CCN(C)C)c1ccccc1[N+](=O)[O-] ZINC000897067612 708222438 /nfs/dbraw/zinc/22/24/38/708222438.db2.gz NHRYCZFYRLXMPP-GFCCVEGCSA-N 0 3 308.382 1.901 20 5 DDBDHN C[C@@H](CS(C)(=O)=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463779 708339274 /nfs/dbraw/zinc/33/92/74/708339274.db2.gz IUPMBQXLMGXPJX-MNOVXSKESA-N 0 3 300.380 1.721 20 5 DDBDHN Cc1ccc(NC(=O)C2CN(C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000899911974 709235442 /nfs/dbraw/zinc/23/54/42/709235442.db2.gz XKIKUDUNKPNMHC-UHFFFAOYSA-N 0 3 319.361 1.953 20 5 DDBDHN CCN1CCCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000910279572 709861265 /nfs/dbraw/zinc/86/12/65/709861265.db2.gz BPCCTTVZPLDKQV-LLVKDONJSA-N 0 3 323.397 1.998 20 5 DDBDHN CCN1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000910279572 709861269 /nfs/dbraw/zinc/86/12/69/709861269.db2.gz BPCCTTVZPLDKQV-LLVKDONJSA-N 0 3 323.397 1.998 20 5 DDBDHN Cc1ccc(CNC(=O)N2C[C@@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000892536850 710454216 /nfs/dbraw/zinc/45/42/16/710454216.db2.gz KYVIOIKRKDIZJU-VXGBXAGGSA-N 0 3 306.366 1.795 20 5 DDBDHN COc1cc([C@H](C)NCCN2CCNC2=O)cc([N+](=O)[O-])c1 ZINC000903218132 711069636 /nfs/dbraw/zinc/06/96/36/711069636.db2.gz AXKQOQNXJNYJTK-JTQLQIEISA-N 0 3 308.338 1.279 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@]1(CO)COCCN1C ZINC000903282454 711087669 /nfs/dbraw/zinc/08/76/69/711087669.db2.gz UCKHLHASZQFUDU-CZUORRHYSA-N 0 3 323.393 1.247 20 5 DDBDHN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCC[N+](=O)[O-] ZINC000905088718 711932470 /nfs/dbraw/zinc/93/24/70/711932470.db2.gz KJTWAZHTTLPHOU-ZDUSSCGKSA-N 0 3 320.393 1.870 20 5 DDBDHN C[C@H]1[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000913930634 713321459 /nfs/dbraw/zinc/32/14/59/713321459.db2.gz KEDWXUQPKIHLSM-SMDDNHRTSA-N 0 3 321.381 1.399 20 5 DDBDHN O=[N+]([O-])c1cnn(CCNCc2cnn(CC3CCC3)c2)c1 ZINC000921861245 713888324 /nfs/dbraw/zinc/88/83/24/713888324.db2.gz GRJFQTYHTGHECL-UHFFFAOYSA-N 0 3 304.354 1.578 20 5 DDBDHN CN1CC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000922575757 714092156 /nfs/dbraw/zinc/09/21/56/714092156.db2.gz MVPWKXHOERSNPX-LLVKDONJSA-N 0 3 301.293 1.990 20 5 DDBDHN COC[C@H](C)OC[C@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932178373 714279750 /nfs/dbraw/zinc/27/97/50/714279750.db2.gz ZMVNOKNCWLRJBS-YWPYICTPSA-N 0 3 312.366 1.658 20 5 DDBDHN C[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000932346795 714315169 /nfs/dbraw/zinc/31/51/69/714315169.db2.gz KUWZHCYPKDBHCG-STQMWFEESA-N 0 3 310.350 1.445 20 5 DDBDHN NCc1nn(-c2c(F)c([N+](=O)[O-])cc[n+]2[O-])c2ccccc12 ZINC001167696360 736268055 /nfs/dbraw/zinc/26/80/55/736268055.db2.gz YJNXYNDVMOLYQC-UHFFFAOYSA-N 0 3 303.253 1.165 20 5 DDBDHN CC(C)N(C)CC(=O)N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097190574 756980035 /nfs/dbraw/zinc/98/00/35/756980035.db2.gz SWYYOUFUANEYLT-BETUJISGSA-N 0 3 320.393 1.994 20 5 DDBDHN C[C@@H](Nc1ccc2cnccc2c1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170568763 768181246 /nfs/dbraw/zinc/18/12/46/768181246.db2.gz HIOUUBZMOZAMLE-YGRLFVJLSA-N 0 3 302.334 1.932 20 5 DDBDHN CCCN(C)CC(=O)NCCNc1ncc(C)cc1[N+](=O)[O-] ZINC001093787590 775078849 /nfs/dbraw/zinc/07/88/49/775078849.db2.gz GCRMAJRCFWKLLZ-UHFFFAOYSA-N 0 3 309.370 1.168 20 5 DDBDHN N=c1ncc(CN)cn1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172905646 776916908 /nfs/dbraw/zinc/91/69/08/776916908.db2.gz TUHSTYNDXLVDQL-AWEZNQCLSA-N 0 3 313.361 1.850 20 5 DDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H]1COCCC12OCCO2 ZINC001173216290 777049009 /nfs/dbraw/zinc/04/90/09/777049009.db2.gz IFAQVLHGRDXTGB-WFASDCNBSA-N 0 3 322.361 1.647 20 5 DDBDHN C[C@@H]([NH2+]C1CCN(CC(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1 ZINC001332447472 865849577 /nfs/dbraw/zinc/84/95/77/865849577.db2.gz FODOTWRIKSVRGR-LLVKDONJSA-N 0 3 307.350 1.794 20 5 DDBDHN Cc1c(C(=O)NOCCN(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001334409997 867548193 /nfs/dbraw/zinc/54/81/93/867548193.db2.gz VTQHEIAVNNSXQE-UHFFFAOYSA-N 0 3 312.282 1.034 20 5 DDBDHN O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]4NCCO[C@H]4C3)c2c1 ZINC001165270457 869482347 /nfs/dbraw/zinc/48/23/47/869482347.db2.gz FXOVQAGFQKWAJT-KBPBESRZSA-N 0 3 315.333 1.105 20 5 DDBDHN COC[C@@]1(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CCCCN1 ZINC001341110462 871510082 /nfs/dbraw/zinc/51/00/82/871510082.db2.gz WICZNGDCHHJNMJ-MLGOLLRUSA-N 0 3 321.377 1.931 20 5 DDBDHN CC(C)OC[C@H](C)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001308929757 871538880 /nfs/dbraw/zinc/53/88/80/871538880.db2.gz CGQBWVVABUIFNV-NILFDRSVSA-N 0 3 312.366 1.392 20 5 DDBDHN C[C@@H]1CC[C@@H](Oc2[n-]c(=O)nc3cc([N+](=O)[O-])ccc32)C[NH2+]1 ZINC001218396895 877474603 /nfs/dbraw/zinc/47/46/03/877474603.db2.gz DSECNVJWXJWBTF-PSASIEDQSA-N 0 3 304.306 1.763 20 5 DDBDHN COC(=O)c1c(CO[C@H]2CN3CCC2CC3)cccc1[N+](=O)[O-] ZINC001223293704 880909775 /nfs/dbraw/zinc/90/97/75/880909775.db2.gz CGTYLASEBJETDQ-AWEZNQCLSA-N 0 3 320.345 1.992 20 5 DDBDHN COCCC(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001231010050 885134683 /nfs/dbraw/zinc/13/46/83/885134683.db2.gz IDHWPLAYMFPDIA-UHFFFAOYSA-N 0 3 309.366 1.569 20 5 DDBDHN COc1nccc(CN[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254577597 896511227 /nfs/dbraw/zinc/51/12/27/896511227.db2.gz FWWOMOADWWEAMA-CYBMUJFWSA-N 0 3 300.318 1.650 20 5 DDBDHN O=C1NC2(CO1)CCN([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254608879 896531115 /nfs/dbraw/zinc/53/11/15/896531115.db2.gz STEMZDPRKUJUHP-AWEZNQCLSA-N 0 3 317.345 1.636 20 5 DDBDHN CN(C)CCN(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000127092528 282091595 /nfs/dbraw/zinc/09/15/95/282091595.db2.gz ZFUWHIWQHUSYKW-UHFFFAOYSA-N 0 3 317.349 1.414 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@]1(O)CCO[C@H]1C ZINC000278632771 214290054 /nfs/dbraw/zinc/29/00/54/214290054.db2.gz KVMFACUMQRARQZ-XHDPSFHLSA-N 0 3 310.350 1.623 20 5 DDBDHN C[C@H](O)CN1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000249484538 282159752 /nfs/dbraw/zinc/15/97/52/282159752.db2.gz CFVYQIUFZHGWTD-KGLIPLIRSA-N 0 3 323.393 1.361 20 5 DDBDHN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)N1CCO ZINC000451670654 231158308 /nfs/dbraw/zinc/15/83/08/231158308.db2.gz XCBJGROEUHDYDR-OKILXGFUSA-N 0 3 323.393 1.361 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000454289760 529797567 /nfs/dbraw/zinc/79/75/67/529797567.db2.gz MGPJWRSGQBFESH-OCCSQVGLSA-N 0 3 304.350 1.440 20 5 DDBDHN COC[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000181651000 199332704 /nfs/dbraw/zinc/33/27/04/199332704.db2.gz MDYRXTUOVUPFMV-HNNXBMFYSA-N 0 3 317.345 1.734 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000299331515 530063586 /nfs/dbraw/zinc/06/35/86/530063586.db2.gz ZKFYKYRDCFOUES-NSHDSACASA-N 0 3 302.334 1.900 20 5 DDBDHN Cc1ccc([C@@H](C)NCCN2C(=O)CNC2=O)cc1[N+](=O)[O-] ZINC000181808977 199355423 /nfs/dbraw/zinc/35/54/23/199355423.db2.gz HJXLQJQKXMVGBZ-SNVBAGLBSA-N 0 3 306.322 1.106 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](O)C1 ZINC000041886267 352317571 /nfs/dbraw/zinc/31/75/71/352317571.db2.gz KXTQGDIXDZKNRI-ZDUSSCGKSA-N 0 3 307.350 1.689 20 5 DDBDHN COCCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000048023419 352521295 /nfs/dbraw/zinc/52/12/95/352521295.db2.gz NUPHTBALNDPNRZ-AWEZNQCLSA-N 0 3 310.350 1.445 20 5 DDBDHN COCCN(CCN(C)C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491533872 234196184 /nfs/dbraw/zinc/19/61/84/234196184.db2.gz RRZXFQPALMDPCA-FPLPWBNLSA-N 0 3 321.377 1.645 20 5 DDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173213423 198196481 /nfs/dbraw/zinc/19/64/81/198196481.db2.gz RHBTUNGJJKYYNF-DOMZBBRYSA-N 0 3 305.378 1.936 20 5 DDBDHN C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@H](C)C1 ZINC000063749474 352923458 /nfs/dbraw/zinc/92/34/58/352923458.db2.gz STEKDNZZAHAXKO-VXGBXAGGSA-N 0 3 309.370 1.028 20 5 DDBDHN CCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000060793620 352879930 /nfs/dbraw/zinc/87/99/30/352879930.db2.gz KRVHGTKSUPRYPT-UHFFFAOYSA-N 0 3 320.393 1.875 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CCO)C1CC1 ZINC000067965659 353077866 /nfs/dbraw/zinc/07/78/66/353077866.db2.gz ALTOXTLVHMPWPH-UHFFFAOYSA-N 0 3 307.350 1.689 20 5 DDBDHN C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000068219488 353096848 /nfs/dbraw/zinc/09/68/48/353096848.db2.gz VYWDVVUVJBBHSZ-NSHDSACASA-N 0 3 307.350 1.573 20 5 DDBDHN COCCCN(C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173917852 198269153 /nfs/dbraw/zinc/26/91/53/198269153.db2.gz VFHWSSFLODKQGQ-UHFFFAOYSA-N 0 3 309.366 1.222 20 5 DDBDHN CC(C)(C)[C@H](N)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000564992997 304034238 /nfs/dbraw/zinc/03/42/38/304034238.db2.gz WPKRLJVNDNCKQP-GFCCVEGCSA-N 0 3 309.370 1.328 20 5 DDBDHN CN(C)CCN(C)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000080684619 353623083 /nfs/dbraw/zinc/62/30/83/353623083.db2.gz LSROSFIAMLWTMK-UHFFFAOYSA-N 0 3 306.366 1.485 20 5 DDBDHN Cc1c(NC(=O)CCN2CC[C@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000093333210 353896003 /nfs/dbraw/zinc/89/60/03/353896003.db2.gz RFDFFFVWCCRSRD-XHDPSFHLSA-N 0 3 321.377 1.935 20 5 DDBDHN CN1CCC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000108346736 353951517 /nfs/dbraw/zinc/95/15/17/353951517.db2.gz GELRCCKKJUEHSV-GFCCVEGCSA-N 0 3 307.350 1.432 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)C[C@@H](C)[NH3+] ZINC000320116862 354524495 /nfs/dbraw/zinc/52/44/95/354524495.db2.gz OOMXOIHKIISLFJ-ZJUUUORDSA-N 0 3 301.368 1.307 20 5 DDBDHN C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000588683517 354928337 /nfs/dbraw/zinc/92/83/37/354928337.db2.gz KTJAEZAPSSJIGT-GXFFZTMASA-N 0 3 317.349 1.739 20 5 DDBDHN Cc1c(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588860601 354943331 /nfs/dbraw/zinc/94/33/31/354943331.db2.gz JYQOATUSLJYVOG-CHWSQXEVSA-N 0 3 319.361 1.184 20 5 DDBDHN CCc1ccc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590044199 355042517 /nfs/dbraw/zinc/04/25/17/355042517.db2.gz IFRXHFZPJYPXOM-DZGCQCFKSA-N 0 3 303.362 1.933 20 5 DDBDHN CCOc1cc(CN(C[C@H](C)O)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000276972766 213210785 /nfs/dbraw/zinc/21/07/85/213210785.db2.gz XFELUBQVIIKZMC-NEPJUHHUSA-N 0 3 312.366 1.557 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590446890 355099439 /nfs/dbraw/zinc/09/94/39/355099439.db2.gz WVSFCDSZUZUFFU-TZMCWYRMSA-N 0 3 319.361 1.526 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@H]2C1 ZINC000590446623 355099771 /nfs/dbraw/zinc/09/97/71/355099771.db2.gz TYJAIVXHGVBAHF-YGRLFVJLSA-N 0 3 314.345 1.852 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H](O)C1CCC1)OCCO2 ZINC000590663620 355139583 /nfs/dbraw/zinc/13/95/83/355139583.db2.gz LPLYJKRTPDTEEC-ZDUSSCGKSA-N 0 3 308.334 1.617 20 5 DDBDHN CN1CCC(N2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3F)C2)CC1 ZINC000591147597 355254840 /nfs/dbraw/zinc/25/48/40/355254840.db2.gz STIJRALQIWJLHN-LLVKDONJSA-N 0 3 323.372 1.709 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000591534391 355324494 /nfs/dbraw/zinc/32/44/94/355324494.db2.gz AHTTUCVQQBOUDM-DOMZBBRYSA-N 0 3 303.362 1.988 20 5 DDBDHN CCc1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000592998764 355765564 /nfs/dbraw/zinc/76/55/64/355765564.db2.gz VOJUBMWBSXHMAE-HNNXBMFYSA-N 0 3 304.350 1.504 20 5 DDBDHN CN(CCN1CCCCC1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000593882881 356040126 /nfs/dbraw/zinc/04/01/26/356040126.db2.gz KSSSUKQBYZCWTQ-UHFFFAOYSA-N 0 3 323.397 1.471 20 5 DDBDHN COCCN(C)C[C@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000593969922 356077044 /nfs/dbraw/zinc/07/70/44/356077044.db2.gz GNYIHCASRJFJJM-QWHCGFSZSA-N 0 3 311.382 1.185 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](OC3CCC3)C2)c1 ZINC000594027792 356094205 /nfs/dbraw/zinc/09/42/05/356094205.db2.gz ZVFYKPXMTXZKLD-HIFRSBDPSA-N 0 3 324.381 1.186 20 5 DDBDHN COc1ccc(CN[C@@H]2CCc3c(nnn3C)C2)cc1[N+](=O)[O-] ZINC000594515255 356241613 /nfs/dbraw/zinc/24/16/13/356241613.db2.gz LXQWYTYPVOPIDH-LLVKDONJSA-N 0 3 317.349 1.379 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCN1CCO[C@H](C)C1 ZINC000595012866 356372395 /nfs/dbraw/zinc/37/23/95/356372395.db2.gz PLRSZTIHVAKUHU-OLZOCXBDSA-N 0 3 323.393 1.975 20 5 DDBDHN Cc1cc(S(=O)(=O)N2CCCNCC2)c(F)cc1[N+](=O)[O-] ZINC000601337712 358505453 /nfs/dbraw/zinc/50/54/53/358505453.db2.gz DGCSGAJASFMYSK-UHFFFAOYSA-N 0 3 317.342 1.026 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@@H](CC)CN2CCCC2)c1[N+](=O)[O-] ZINC000618215218 363517385 /nfs/dbraw/zinc/51/73/85/363517385.db2.gz MGXKZVCKUSVJAH-JTQLQIEISA-N 0 3 309.370 1.485 20 5 DDBDHN Cc1nc(N2CCC(N3CCCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000596268565 356838924 /nfs/dbraw/zinc/83/89/24/356838924.db2.gz LYISSEVTOUWBAP-UHFFFAOYSA-N 0 3 320.393 1.989 20 5 DDBDHN O=[N+]([O-])c1cnc2ccccc2c1NCCN1CC[C@@H](O)C1 ZINC000599175973 357840581 /nfs/dbraw/zinc/84/05/81/357840581.db2.gz LPSGVMSQCJCSPY-LLVKDONJSA-N 0 3 302.334 1.043 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)C1(F)F ZINC000599512294 357961025 /nfs/dbraw/zinc/96/10/25/357961025.db2.gz HVGFEBSTIIXEKL-JFGNBEQYSA-N 0 3 318.324 1.375 20 5 DDBDHN CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000599986750 358096854 /nfs/dbraw/zinc/09/68/54/358096854.db2.gz ZCCQXZOZHSDCSM-UHFFFAOYSA-N 0 3 309.370 1.368 20 5 DDBDHN COc1cc(CNCC[C@@H](O)C(F)F)c([N+](=O)[O-])cc1OC ZINC000601147517 358420937 /nfs/dbraw/zinc/42/09/37/358420937.db2.gz QKKXZBZFJBUFDN-SNVBAGLBSA-N 0 3 320.292 1.718 20 5 DDBDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1OC ZINC000348154473 283393556 /nfs/dbraw/zinc/39/35/56/283393556.db2.gz WDBZPOIYIRJCJF-CHWSQXEVSA-N 0 3 307.350 1.608 20 5 DDBDHN Cn1cc(CN2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])n1 ZINC000602437705 358975551 /nfs/dbraw/zinc/97/55/51/358975551.db2.gz JQLXLNYBRQLTSG-UHFFFAOYSA-N 0 3 307.398 1.779 20 5 DDBDHN C[C@]12CN(Cc3ccccc3[N+](=O)[O-])C[C@]1(C)C(=O)NC2=O ZINC000602732245 359154096 /nfs/dbraw/zinc/15/40/96/359154096.db2.gz REJMGFWBPMFZGH-HUUCEWRRSA-N 0 3 303.318 1.079 20 5 DDBDHN CS[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000602797271 359199468 /nfs/dbraw/zinc/19/94/68/359199468.db2.gz IBPQQAYJLGVXTI-VXGBXAGGSA-N 0 3 313.427 1.077 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](CCO)c1ccccc1 ZINC000602803673 359202734 /nfs/dbraw/zinc/20/27/34/359202734.db2.gz ZSCWYWIEFFCURN-AWEZNQCLSA-N 0 3 304.350 1.813 20 5 DDBDHN Cc1ncc([C@@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)s1 ZINC000602954457 359319498 /nfs/dbraw/zinc/31/94/98/359319498.db2.gz FQKVQOZVRZICEA-SECBINFHSA-N 0 3 308.363 1.872 20 5 DDBDHN C[C@H](C(=O)N[C@H](CO)CN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000603053790 359378022 /nfs/dbraw/zinc/37/80/22/359378022.db2.gz SJTOHIYZWDQHSM-JSGCOSHPSA-N 0 3 321.377 1.271 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000602957754 359321885 /nfs/dbraw/zinc/32/18/85/359321885.db2.gz PQZMTIJVSZGBKZ-GFCCVEGCSA-N 0 3 321.381 1.526 20 5 DDBDHN CO[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@](C)(CO)C1 ZINC000602964443 359327917 /nfs/dbraw/zinc/32/79/17/359327917.db2.gz PNLVSYXNQSMROH-JKSUJKDBSA-N 0 3 324.377 1.835 20 5 DDBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1(CO)CC1 ZINC000186803711 200013173 /nfs/dbraw/zinc/01/31/73/200013173.db2.gz IWNDJGNSFCVDBK-CYBMUJFWSA-N 0 3 310.350 1.039 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CCN(C)C1CC1 ZINC000186804082 200014652 /nfs/dbraw/zinc/01/46/52/200014652.db2.gz CBYYYISGZVCKEF-UHFFFAOYSA-N 0 3 309.370 1.042 20 5 DDBDHN C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000186900490 200028510 /nfs/dbraw/zinc/02/85/10/200028510.db2.gz HPDTXANIZJCYTP-RISCZKNCSA-N 0 3 307.350 1.626 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H]1CCCS(=O)(=O)C1 ZINC000565726350 304087183 /nfs/dbraw/zinc/08/71/83/304087183.db2.gz RRMSMFCROGRZGY-RISCZKNCSA-N 0 3 324.402 1.997 20 5 DDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000237558073 202282873 /nfs/dbraw/zinc/28/28/73/202282873.db2.gz YYASXDMHZOJPSF-WDEREUQCSA-N 0 3 318.377 1.992 20 5 DDBDHN C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000237605972 202299856 /nfs/dbraw/zinc/29/98/56/202299856.db2.gz VQQRLVNQKJUBIY-QWRGUYRKSA-N 0 3 309.391 1.896 20 5 DDBDHN CCOc1cc(CN2CC[C@@](C)(C(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000281140082 216105675 /nfs/dbraw/zinc/10/56/75/216105675.db2.gz OTAKGGSCUOPVQO-MRXNPFEDSA-N 0 3 321.377 1.952 20 5 DDBDHN O=C([C@@H]1CCCCN1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237937075 202396345 /nfs/dbraw/zinc/39/63/45/202396345.db2.gz BQPQJGUJESNJLC-HNNXBMFYSA-N 0 3 318.377 1.386 20 5 DDBDHN O=[N+]([O-])c1cccc(CNCCCN2CCCS2(=O)=O)c1 ZINC000609223613 360274750 /nfs/dbraw/zinc/27/47/50/360274750.db2.gz OCDVIEZLYBRVDN-UHFFFAOYSA-N 0 3 313.379 1.110 20 5 DDBDHN C[C@]1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCOC1 ZINC000609600614 360331586 /nfs/dbraw/zinc/33/15/86/360331586.db2.gz MORNOPQUIWFVQR-OAHLLOKOSA-N 0 3 308.334 1.882 20 5 DDBDHN COc1ccc(CN(C)CCn2ccc([N+](=O)[O-])n2)cc1OC ZINC000610484691 360447479 /nfs/dbraw/zinc/44/74/79/360447479.db2.gz DJSMGXOTRITSBL-UHFFFAOYSA-N 0 3 320.349 1.941 20 5 DDBDHN COc1ccc(C)cc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610335785 360415652 /nfs/dbraw/zinc/41/56/52/360415652.db2.gz NTEHAKSXPWIHGY-CQSZACIVSA-N 0 3 320.349 1.259 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])cn1)N1CCN(c2ccncc2)CC1 ZINC000610768981 360533043 /nfs/dbraw/zinc/53/30/43/360533043.db2.gz NKSLUTLWGNBKAU-UHFFFAOYSA-N 0 3 313.317 1.347 20 5 DDBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000611242540 360676842 /nfs/dbraw/zinc/67/68/42/360676842.db2.gz SJOZWHXHZDQLTC-NSHDSACASA-N 0 3 324.406 1.575 20 5 DDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611413831 360714926 /nfs/dbraw/zinc/71/49/26/360714926.db2.gz ZDCIRLQOTITMGJ-NSHDSACASA-N 0 3 324.406 1.399 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](OCCN(C)C)C2)n1 ZINC000611617218 360777216 /nfs/dbraw/zinc/77/72/16/360777216.db2.gz RKDBPUTWICWVST-ZDUSSCGKSA-N 0 3 308.382 1.764 20 5 DDBDHN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000275146976 212149968 /nfs/dbraw/zinc/14/99/68/212149968.db2.gz FWMSQWSHANNJJM-GWCFXTLKSA-N 0 3 306.322 1.408 20 5 DDBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1N1CCCC1 ZINC000274977251 212053786 /nfs/dbraw/zinc/05/37/86/212053786.db2.gz BEJLSWMTYBERAA-NEPJUHHUSA-N 0 3 324.406 1.575 20 5 DDBDHN CC(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000351078319 284300671 /nfs/dbraw/zinc/30/06/71/284300671.db2.gz XVXDYZJXQFVSNM-UHFFFAOYSA-N 0 3 307.354 1.128 20 5 DDBDHN NC(=O)[C@@H](Cc1ccccc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000351343862 284320518 /nfs/dbraw/zinc/32/05/18/284320518.db2.gz UTZBGOWGJBUHSK-MRXNPFEDSA-N 0 3 313.357 1.824 20 5 DDBDHN COCCNCCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000415571952 307299223 /nfs/dbraw/zinc/29/92/23/307299223.db2.gz ATWWQXQAIFBHGZ-UHFFFAOYSA-N 0 3 310.354 1.569 20 5 DDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000152884198 248300248 /nfs/dbraw/zinc/30/02/48/248300248.db2.gz PCXCMRBCEKRBLI-ZDUSSCGKSA-N 0 3 315.757 1.291 20 5 DDBDHN C[C@@H]1CN(CCCCNc2ncc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000273934812 211189242 /nfs/dbraw/zinc/18/92/42/211189242.db2.gz KZEMGUSHBRJFLQ-VXGBXAGGSA-N 0 3 309.370 1.686 20 5 DDBDHN C[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000105177119 194082183 /nfs/dbraw/zinc/08/21/83/194082183.db2.gz NTOVWQBMERYRCR-LBPRGKRZSA-N 0 3 320.393 1.919 20 5 DDBDHN C[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000057701519 184047586 /nfs/dbraw/zinc/04/75/86/184047586.db2.gz NOSLVJJPHBRRPD-LLVKDONJSA-N 0 3 306.366 1.606 20 5 DDBDHN COc1cc(CN2CCCC[C@@H]2CC(N)=O)ccc1[N+](=O)[O-] ZINC000352407568 285030079 /nfs/dbraw/zinc/03/00/79/285030079.db2.gz VLFYHSXPEXHJNC-GFCCVEGCSA-N 0 3 307.350 1.833 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](CO)C1CCCC1 ZINC000352621759 285180041 /nfs/dbraw/zinc/18/00/41/285180041.db2.gz UNYYGVHJPVAHDM-CYBMUJFWSA-N 0 3 321.377 1.982 20 5 DDBDHN Cc1cc(NC[C@@]2(C)CCC(=O)N2)c2cc([N+](=O)[O-])ccc2n1 ZINC000413332821 224179031 /nfs/dbraw/zinc/17/90/31/224179031.db2.gz COSKIXUVAYRWFV-MRXNPFEDSA-N 0 3 314.345 1.954 20 5 DDBDHN Cc1n[nH]c(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000352820994 285320366 /nfs/dbraw/zinc/32/03/66/285320366.db2.gz RPDFTKVLHXIVLU-UWVGGRQHSA-N 0 3 309.370 1.477 20 5 DDBDHN Cc1nn(C)c(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000352869377 285348298 /nfs/dbraw/zinc/34/82/98/285348298.db2.gz WJXRSTUEQCBWKN-GHMZBOCLSA-N 0 3 323.397 1.629 20 5 DDBDHN CCO[C@@H]1COCC[C@@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353128941 285541741 /nfs/dbraw/zinc/54/17/41/285541741.db2.gz LZJUUXQXAOOKLS-SWLSCSKDSA-N 0 3 310.350 1.887 20 5 DDBDHN Cc1ccc([C@H](C)NC(=O)CNC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000237636794 292241729 /nfs/dbraw/zinc/24/17/29/292241729.db2.gz PYRVEXMZSZAJQT-GXTWGEPZSA-N 0 3 321.377 1.849 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000266093128 292282354 /nfs/dbraw/zinc/28/23/54/292282354.db2.gz AMIFHUSIHXPCMD-GFCCVEGCSA-N 0 3 307.350 1.306 20 5 DDBDHN CN(C(=O)COc1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000046468237 407061092 /nfs/dbraw/zinc/06/10/92/407061092.db2.gz RCNMCAYEYOSKRQ-UHFFFAOYSA-N 0 3 307.350 1.526 20 5 DDBDHN CN(CC1CCN(C)CC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000103450385 407339929 /nfs/dbraw/zinc/33/99/29/407339929.db2.gz MVVZJIHBZMEOEN-UHFFFAOYSA-N 0 3 320.393 1.807 20 5 DDBDHN C[C@H]1C[C@@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)CCN1C ZINC000124661760 407365760 /nfs/dbraw/zinc/36/57/60/407365760.db2.gz KAYBMWKJJWPKLA-RYUDHWBXSA-N 0 3 309.370 1.123 20 5 DDBDHN COC(=O)C(C)(C)CN[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000151835176 407507303 /nfs/dbraw/zinc/50/73/03/407507303.db2.gz RXWCCQKESHLJRU-JTQLQIEISA-N 0 3 323.349 1.711 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](N)c1ccccc1 ZINC000152058517 407552040 /nfs/dbraw/zinc/55/20/40/407552040.db2.gz TULHUKBVCBXFQP-ZDUSSCGKSA-N 0 3 317.349 1.306 20 5 DDBDHN CCC[C@](C)(N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000261674237 407575464 /nfs/dbraw/zinc/57/54/64/407575464.db2.gz HMSLGQHGRCRUNH-INIZCTEOSA-N 0 3 320.393 1.761 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@H]1CCCN(C)C1 ZINC000151962275 407533940 /nfs/dbraw/zinc/53/39/40/407533940.db2.gz PZIKDKLHIZQRIB-LBPRGKRZSA-N 0 3 320.393 1.732 20 5 DDBDHN COCCNCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000152289681 407602388 /nfs/dbraw/zinc/60/23/88/407602388.db2.gz HTXCZAYTPWYRDN-UHFFFAOYSA-N 0 3 322.365 1.135 20 5 DDBDHN Cn1c(C(=O)NCc2ccc3c(c2)CNC3)ccc1[N+](=O)[O-] ZINC000261987412 407701912 /nfs/dbraw/zinc/70/19/12/407701912.db2.gz BAXSWKMVTUMBJN-UHFFFAOYSA-N 0 3 300.318 1.467 20 5 DDBDHN Cc1cc(C(=O)NCC2(O)CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000267088326 407743644 /nfs/dbraw/zinc/74/36/44/407743644.db2.gz KBAZZMZHPRDPGL-UHFFFAOYSA-N 0 3 307.350 1.090 20 5 DDBDHN CC[NH2+][C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262424753 407831844 /nfs/dbraw/zinc/83/18/44/407831844.db2.gz CHRGHMCYXOWBQN-MRVPVSSYSA-N 0 3 321.786 1.525 20 5 DDBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000245613598 408028445 /nfs/dbraw/zinc/02/84/45/408028445.db2.gz LZDSXWDIFKBHCT-QWHCGFSZSA-N 0 3 312.391 1.772 20 5 DDBDHN NC(=O)C[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000175211396 408079940 /nfs/dbraw/zinc/07/99/40/408079940.db2.gz GQXKKMVTSFDMAP-GFCCVEGCSA-N 0 3 307.350 1.561 20 5 DDBDHN COc1ccc(CN(C)C[C@H]2CCN(C(C)=O)C2)cc1[N+](=O)[O-] ZINC000156510150 408258473 /nfs/dbraw/zinc/25/84/73/408258473.db2.gz GMCWEYNDONKYFD-CQSZACIVSA-N 0 3 321.377 1.904 20 5 DDBDHN CCN(CCO)CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191327582 408406181 /nfs/dbraw/zinc/40/61/81/408406181.db2.gz SJYXJULDOLORTP-UHFFFAOYSA-N 0 3 324.381 1.647 20 5 DDBDHN C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N(C)C ZINC000270201215 408485250 /nfs/dbraw/zinc/48/52/50/408485250.db2.gz CEZUKGLXFANBBT-SNVBAGLBSA-N 0 3 304.350 1.685 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN2CCCCCC2)n1 ZINC000191895740 408505940 /nfs/dbraw/zinc/50/59/40/408505940.db2.gz SSARZEDZIMJKDL-LBPRGKRZSA-N 0 3 323.397 1.806 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000177162534 408538861 /nfs/dbraw/zinc/53/88/61/408538861.db2.gz GXZLDTRBHQKFAE-ONGXEEELSA-N 0 3 304.350 1.653 20 5 DDBDHN COCCN(C)CCCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000161486353 408608356 /nfs/dbraw/zinc/60/83/56/408608356.db2.gz OILRHRPULQUPLX-UHFFFAOYSA-N 0 3 323.393 1.530 20 5 DDBDHN C[C@H](O)CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000249262085 408707335 /nfs/dbraw/zinc/70/73/35/408707335.db2.gz HFDYUOJMAWLYAP-KBPBESRZSA-N 0 3 323.393 1.361 20 5 DDBDHN CN(C)C1(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000275865973 408701479 /nfs/dbraw/zinc/70/14/79/408701479.db2.gz PLBFCIAGEFFTEK-UHFFFAOYSA-N 0 3 320.349 1.134 20 5 DDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1N(C)C ZINC000276421891 408855253 /nfs/dbraw/zinc/85/52/53/408855253.db2.gz XLIJFGYGNFCMGS-OLZOCXBDSA-N 0 3 324.406 1.295 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000277683316 408992455 /nfs/dbraw/zinc/99/24/55/408992455.db2.gz YVQYFMWGTAKHRO-LLVKDONJSA-N 0 3 319.361 1.984 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCOC[C@H](C2CCC2)C1 ZINC000292183527 408997251 /nfs/dbraw/zinc/99/72/51/408997251.db2.gz QUCNCTHDISBAKQ-CQSZACIVSA-N 0 3 321.377 1.505 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](O)CC2)c1 ZINC000293288055 409082945 /nfs/dbraw/zinc/08/29/45/409082945.db2.gz VURYUIXGWSLYMN-KGLIPLIRSA-N 0 3 310.350 1.181 20 5 DDBDHN C[C@H](CN1CCCC1=O)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283956060 409247209 /nfs/dbraw/zinc/24/72/09/409247209.db2.gz FZQABULFEJUJLI-MNOVXSKESA-N 0 3 306.366 1.839 20 5 DDBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284012562 409257831 /nfs/dbraw/zinc/25/78/31/409257831.db2.gz OEMLNHWEDWJTPU-SNVBAGLBSA-N 0 3 324.356 1.920 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN(C[C@@H](C)O)C[C@H]1C ZINC000284269196 409307500 /nfs/dbraw/zinc/30/75/00/409307500.db2.gz GUUBLVWFPPMXQL-ZIAGYGMSSA-N 0 3 307.394 1.790 20 5 DDBDHN CNC(=O)[C@@]1(C)CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000280518730 409337816 /nfs/dbraw/zinc/33/78/16/409337816.db2.gz CEZIJUVUBXTCQB-HNNXBMFYSA-N 0 3 307.350 1.561 20 5 DDBDHN COc1cc(NC[C@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000317768836 164029191 /nfs/dbraw/zinc/02/91/91/164029191.db2.gz QKAMYUGUZPNYOR-OLZOCXBDSA-N 0 3 307.350 1.879 20 5 DDBDHN CCn1cc([C@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000296235059 409473892 /nfs/dbraw/zinc/47/38/92/409473892.db2.gz WTRWRUMTTJLQEL-NSHDSACASA-N 0 3 305.338 1.324 20 5 DDBDHN CCN(Cc1cccc(F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304302907 409596724 /nfs/dbraw/zinc/59/67/24/409596724.db2.gz IQZOGWMHRGYCBU-HNNXBMFYSA-N 0 3 322.340 1.813 20 5 DDBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCN1C ZINC000345075454 409616084 /nfs/dbraw/zinc/61/60/84/409616084.db2.gz ODSZVTPOHWWGEL-AWEZNQCLSA-N 0 3 320.393 1.873 20 5 DDBDHN COc1c(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331591917 409671506 /nfs/dbraw/zinc/67/15/06/409671506.db2.gz XZBUEQYHXSLZJN-MNOVXSKESA-N 0 3 319.361 1.958 20 5 DDBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H](C)C1 ZINC000346244110 409870651 /nfs/dbraw/zinc/87/06/51/409870651.db2.gz UNJPEFOYRLLDEA-SRVKXCTJSA-N 0 3 321.381 1.131 20 5 DDBDHN CN(CCc1cccc([N+](=O)[O-])c1)CCN1C(=O)CCC1=O ZINC000338361655 409936798 /nfs/dbraw/zinc/93/67/98/409936798.db2.gz RMXGAWWEVGIJFU-UHFFFAOYSA-N 0 3 305.334 1.218 20 5 DDBDHN CN(C)C[C@](C)(O)CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000342913555 409994939 /nfs/dbraw/zinc/99/49/39/409994939.db2.gz UWHOGPOUOJVKNC-OAHLLOKOSA-N 0 3 320.349 1.119 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)Cn1cccn1 ZINC000354924526 410176601 /nfs/dbraw/zinc/17/66/01/410176601.db2.gz WCNVMNGKISHYNL-LBPRGKRZSA-N 0 3 317.349 1.717 20 5 DDBDHN C[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)N(C)C ZINC000298331495 410182368 /nfs/dbraw/zinc/18/23/68/410182368.db2.gz FHLUVVLDWMZEJJ-JTQLQIEISA-N 0 3 306.366 1.849 20 5 DDBDHN C[C@H]1C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])[n-]2)C[C@H](C)O1 ZINC000298842990 410420398 /nfs/dbraw/zinc/42/03/98/410420398.db2.gz IMKLYGUKAZJWAE-QWRGUYRKSA-N 0 3 310.354 1.152 20 5 DDBDHN C[C@@H]1CCCN(CCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000298732262 410372960 /nfs/dbraw/zinc/37/29/60/410372960.db2.gz JRWRWOWOXPAROU-CYBMUJFWSA-N 0 3 321.377 1.822 20 5 DDBDHN CCCN1CCC[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000343612961 410571440 /nfs/dbraw/zinc/57/14/40/410571440.db2.gz QCVLGYBJAQXARA-AWEZNQCLSA-N 0 3 321.377 1.964 20 5 DDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000343621195 410576747 /nfs/dbraw/zinc/57/67/47/410576747.db2.gz HGEVEXOJJMCNAL-VXGBXAGGSA-N 0 3 318.377 1.757 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCCN1C ZINC000343583802 410551435 /nfs/dbraw/zinc/55/14/35/410551435.db2.gz ZKEAPTRZIIRKNT-KOLCDFICSA-N 0 3 321.333 1.536 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccnn1CCN(C)C ZINC000359499861 410693074 /nfs/dbraw/zinc/69/30/74/410693074.db2.gz FROOMWMUMICFJN-UHFFFAOYSA-N 0 3 318.337 1.309 20 5 DDBDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1c([N+](=O)[O-])ncn1C ZINC000330663985 410858502 /nfs/dbraw/zinc/85/85/02/410858502.db2.gz FPKRQKBJCQYOQA-IINYFYTJSA-N 0 3 310.354 1.540 20 5 DDBDHN Cc1c([C@@H](C)NC[C@H]2CN(C)CCN2C)cccc1[N+](=O)[O-] ZINC000330673532 410865397 /nfs/dbraw/zinc/86/53/97/410865397.db2.gz HKGPOMFCILMVPH-KGLIPLIRSA-N 0 3 306.410 1.800 20 5 DDBDHN CC(C)(C)NC(=O)CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331017163 410910721 /nfs/dbraw/zinc/91/07/21/410910721.db2.gz PUHVYBUSKTZPPN-NEPJUHHUSA-N 0 3 323.397 1.779 20 5 DDBDHN CCC[C@@H](NCCN1C(=O)CNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000134125302 196363908 /nfs/dbraw/zinc/36/39/08/196363908.db2.gz LAROEOZTELXOII-CYBMUJFWSA-N 0 3 320.349 1.577 20 5 DDBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000366191582 418440943 /nfs/dbraw/zinc/44/09/43/418440943.db2.gz GKHUVGZOOPQDQS-HNNXBMFYSA-N 0 3 319.361 1.578 20 5 DDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366332975 418459801 /nfs/dbraw/zinc/45/98/01/418459801.db2.gz PNBADEOIFUWTCF-YUSALJHKSA-N 0 3 303.318 1.250 20 5 DDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[C@@H]1N1CCN(C)CC1 ZINC000374312944 418516527 /nfs/dbraw/zinc/51/65/27/418516527.db2.gz SRBAGOSZCAVVAB-HIFRSBDPSA-N 0 3 319.409 1.452 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2[C@@H]3CC[C@H]2CN(CC)CC3)n1 ZINC000191660144 222106510 /nfs/dbraw/zinc/10/65/10/222106510.db2.gz DUFBMNVEBIHXIF-NEPJUHHUSA-N 0 3 321.381 1.510 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000375053877 418596220 /nfs/dbraw/zinc/59/62/20/418596220.db2.gz IJANSJJBAVLURK-FZMZJTMJSA-N 0 3 319.361 1.770 20 5 DDBDHN CN1CC[C@@H]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375031284 418591833 /nfs/dbraw/zinc/59/18/33/418591833.db2.gz NPCGQTGCLAWNHP-IUODEOHRSA-N 0 3 318.377 1.559 20 5 DDBDHN CNc1c(C(=O)NC[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000388640047 418747092 /nfs/dbraw/zinc/74/70/92/418747092.db2.gz MTCGQDRNOWURPR-LLVKDONJSA-N 0 3 306.366 1.708 20 5 DDBDHN O=C1NC[C@@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])CC[C@H]12 ZINC000365655245 418890178 /nfs/dbraw/zinc/89/01/78/418890178.db2.gz IHTQXHIZRLQKBK-JRFBKZHLSA-N 0 3 301.346 1.676 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCC(=O)N(C)C1=O ZINC000424311800 228256946 /nfs/dbraw/zinc/25/69/46/228256946.db2.gz FTKWPPZEHRPAPT-PWSUYJOCSA-N 0 3 305.334 1.263 20 5 DDBDHN COC(=O)[C@H]1CN(C)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000411906159 419464968 /nfs/dbraw/zinc/46/49/68/419464968.db2.gz NMPRTDKMENSEHL-ZDUSSCGKSA-N 0 3 307.350 1.131 20 5 DDBDHN COC(=O)[C@H]1CN(C)CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000411910615 419473975 /nfs/dbraw/zinc/47/39/75/419473975.db2.gz SLBXIWUVPZYWHL-JSGCOSHPSA-N 0 3 321.377 1.692 20 5 DDBDHN CN(C[C@@H]1CCCN1C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000421707887 419692553 /nfs/dbraw/zinc/69/25/53/419692553.db2.gz YOQZIVPRJXSWGK-LBPRGKRZSA-N 0 3 307.350 1.526 20 5 DDBDHN CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(N)=O ZINC000429167330 419981059 /nfs/dbraw/zinc/98/10/59/419981059.db2.gz LAOWFCNKUDSJEJ-UHFFFAOYSA-N 0 3 322.365 1.429 20 5 DDBDHN COc1ccc(NC(=O)CNC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000423718431 420141384 /nfs/dbraw/zinc/14/13/84/420141384.db2.gz CPNMPFZTVOMKOX-NSHDSACASA-N 0 3 309.322 1.311 20 5 DDBDHN COC(=O)c1cc(C(=O)N2CCN[C@H](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000423591609 420091946 /nfs/dbraw/zinc/09/19/46/420091946.db2.gz CKCROKMJPCTLBD-ZJUUUORDSA-N 0 3 321.333 1.204 20 5 DDBDHN C[C@@H]1[NH2+]CCC[C@@H]1[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420251668 420169176 /nfs/dbraw/zinc/16/91/76/420169176.db2.gz XPMLTGJDEJCZRI-CABZTGNLSA-N 0 3 303.322 2.197 20 5 DDBDHN Cc1ccc([C@H](C)NCCC(=O)N2CCNCC2)cc1[N+](=O)[O-] ZINC000420416206 420271446 /nfs/dbraw/zinc/27/14/46/420271446.db2.gz VJRDFBOEJHLODM-ZDUSSCGKSA-N 0 3 320.393 1.376 20 5 DDBDHN CCN1CCCC[C@H]1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420606512 420328968 /nfs/dbraw/zinc/32/89/68/420328968.db2.gz XJJSHJREMYWIDB-NSHDSACASA-N 0 3 306.366 1.980 20 5 DDBDHN CO[C@H](CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000425417025 420378536 /nfs/dbraw/zinc/37/85/36/420378536.db2.gz MCMKCXUHJTZZNE-TZMCWYRMSA-N 0 3 306.366 1.901 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCN(C)C1 ZINC000416493203 420392691 /nfs/dbraw/zinc/39/26/91/420392691.db2.gz CXVPPMXMZNOPII-NSHDSACASA-N 0 3 313.379 1.133 20 5 DDBDHN CN(C)CCN(Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000446429437 230267075 /nfs/dbraw/zinc/26/70/75/230267075.db2.gz JNTSQIAEVJYBCD-UHFFFAOYSA-N 0 3 320.349 1.730 20 5 DDBDHN CN1CC=C(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000492338596 420527670 /nfs/dbraw/zinc/52/76/70/420527670.db2.gz ABHIVMYIHFHTSD-QPJJXVBHSA-N 0 3 301.346 1.986 20 5 DDBDHN C[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000441692432 420659585 /nfs/dbraw/zinc/65/95/85/420659585.db2.gz TUCRKFAXGKSFBY-INWMFGNUSA-N 0 3 324.377 1.427 20 5 DDBDHN O=C(N[C@@H]1CNCCC1(F)F)c1ccc(F)cc1[N+](=O)[O-] ZINC000449660817 421050466 /nfs/dbraw/zinc/05/04/66/421050466.db2.gz GYUPGXIJTHHQDW-SNVBAGLBSA-N 0 3 303.240 1.461 20 5 DDBDHN CC(COC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496739614 421307357 /nfs/dbraw/zinc/30/73/57/421307357.db2.gz YQJLRJCEESSANS-IUCAKERBSA-N 0 3 320.367 1.505 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000524783285 421273677 /nfs/dbraw/zinc/27/36/77/421273677.db2.gz FTGMFNKPELCJOC-WCQYABFASA-N 0 3 306.366 1.877 20 5 DDBDHN COC(=O)CC1(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000563222526 421474832 /nfs/dbraw/zinc/47/48/32/421474832.db2.gz WYOHTSLAXSXDCM-LLVKDONJSA-N 0 3 324.333 1.020 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000571162311 421692630 /nfs/dbraw/zinc/69/26/30/421692630.db2.gz PYFBGFASRWGYQX-IPYPFGDCSA-N 0 3 322.361 1.445 20 5 DDBDHN COC(C)(C)CN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574940144 422221448 /nfs/dbraw/zinc/22/14/48/422221448.db2.gz WPKWGEVLDLEISV-GFCCVEGCSA-N 0 3 312.366 1.691 20 5 DDBDHN CN1CCN(CCn2ccc([N+](=O)[O-])n2)CC12CCCCC2 ZINC000578451065 422572947 /nfs/dbraw/zinc/57/29/47/422572947.db2.gz SYVBVEFIKDJTGV-UHFFFAOYSA-N 0 3 307.398 1.742 20 5 DDBDHN C[C@H](CCN1CCN(C)CC1)NCc1csc([N+](=O)[O-])c1 ZINC000185866659 263395702 /nfs/dbraw/zinc/39/57/02/263395702.db2.gz NNYSUZOVEWDQPG-GFCCVEGCSA-N 0 3 312.439 1.772 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@]23CCOC3)c1 ZINC000341978026 271265265 /nfs/dbraw/zinc/26/52/65/271265265.db2.gz XFMBTZBXLBURAG-ZBFHGGJFSA-N 0 3 322.361 1.589 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](O)CN1CCCCC1 ZINC000192496375 273782538 /nfs/dbraw/zinc/78/25/38/273782538.db2.gz DEHHHELQBPFPIG-GFCCVEGCSA-N 0 3 311.386 1.378 20 5 DDBDHN C[C@@H]1CCN[C@@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000423823644 274308429 /nfs/dbraw/zinc/30/84/29/274308429.db2.gz IMHGZNFIOKAFDE-QMTHXVAHSA-N 0 3 304.350 1.263 20 5 DDBDHN CC(C)c1ccc(CNC[C@@H](O)Cn2ccnn2)cc1[N+](=O)[O-] ZINC000459690445 275740760 /nfs/dbraw/zinc/74/07/60/275740760.db2.gz FIURRWPUDHMGMG-CYBMUJFWSA-N 0 3 319.365 1.460 20 5 DDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269889581 276767221 /nfs/dbraw/zinc/76/72/21/276767221.db2.gz KCAVNEPSXGYBCC-HNNXBMFYSA-N 0 3 321.333 1.383 20 5 DDBDHN C[C@@H](NC1CC1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000294696758 278333868 /nfs/dbraw/zinc/33/38/68/278333868.db2.gz GIQGHCOVRFYNIZ-GFCCVEGCSA-N 0 3 318.377 1.384 20 5 DDBDHN Cc1n[nH]c(C(=O)NC[C@H]2CCCN2CC(C)C)c1[N+](=O)[O-] ZINC000269790127 280189981 /nfs/dbraw/zinc/18/99/81/280189981.db2.gz GFXFJROLGJPIJL-LLVKDONJSA-N 0 3 309.370 1.477 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]([NH3+])C(C)C ZINC000070447450 281262003 /nfs/dbraw/zinc/26/20/03/281262003.db2.gz LTQKDZCALDOOLC-SNVBAGLBSA-N 0 3 301.368 1.165 20 5 DDBDHN CN1C[C@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]2C1 ZINC000362663731 300113053 /nfs/dbraw/zinc/11/30/53/300113053.db2.gz LTNMMIIVEMAHKZ-RYUDHWBXSA-N 0 3 315.333 1.643 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000368596849 301062057 /nfs/dbraw/zinc/06/20/57/301062057.db2.gz WFOKGLZMQIUMCF-IINYFYTJSA-N 0 3 307.325 1.900 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000376496367 302084977 /nfs/dbraw/zinc/08/49/77/302084977.db2.gz WPVOEOTUALOYHW-HZPDHXFCSA-N 0 3 305.378 1.626 20 5 DDBDHN CN1CC[C@@H]2OCCN(c3nc4sccn4c3[N+](=O)[O-])[C@H]2C1 ZINC000408028068 307298388 /nfs/dbraw/zinc/29/83/88/307298388.db2.gz CJENSKMOUNEANE-UWVGGRQHSA-N 0 3 323.378 1.213 20 5 DDBDHN CC(COC(=O)CCN(C)C(=O)OCc1ccccc1)[N+](=O)[O-] ZINC000496386869 307338694 /nfs/dbraw/zinc/33/86/94/307338694.db2.gz XIEGQKBGJRKKGN-GFCCVEGCSA-N 0 3 324.333 1.854 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cc3ccccc3[nH]2)c1 ZINC000567681270 308089241 /nfs/dbraw/zinc/08/92/41/308089241.db2.gz OCNINUQHPAFBOP-CQSZACIVSA-N 0 3 315.333 1.423 20 5 DDBDHN COc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(F)c1 ZINC000573835163 308252974 /nfs/dbraw/zinc/25/29/74/308252974.db2.gz LAZKOANFFOYZJS-LBPRGKRZSA-N 0 3 324.312 1.090 20 5 DDBDHN O=C([N-]c1nc(C2CC[NH2+]CC2)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000584231143 331872862 /nfs/dbraw/zinc/87/28/62/331872862.db2.gz BWBDJUNSKFRANN-UHFFFAOYSA-N 0 3 322.350 1.494 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000330918569 534104533 /nfs/dbraw/zinc/10/45/33/534104533.db2.gz XMDBFEPJPFLFJU-RYUDHWBXSA-N 0 3 307.350 1.573 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCO[C@H]1C1CC1 ZINC000494453921 534338930 /nfs/dbraw/zinc/33/89/30/534338930.db2.gz KQVMHUHWKKSXTN-CJNGLKHVSA-N 0 3 319.361 1.999 20 5 DDBDHN CCN(CC(C)(C)O)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000305721686 527954456 /nfs/dbraw/zinc/95/44/56/527954456.db2.gz ILSWDPWLMXLFFI-AWEZNQCLSA-N 0 3 321.377 1.793 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC2(CC1)OCCO2 ZINC000797516562 700012921 /nfs/dbraw/zinc/01/29/21/700012921.db2.gz NHDSODHWAZQNMN-UHFFFAOYSA-N 0 3 308.334 1.942 20 5 DDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN1CCCC1 ZINC000103119344 696612826 /nfs/dbraw/zinc/61/28/26/696612826.db2.gz TUTNWNYKLOAYDS-UHFFFAOYSA-N 0 3 320.393 1.829 20 5 DDBDHN CCN(CC)CCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119299792 696678985 /nfs/dbraw/zinc/67/89/85/696678985.db2.gz FHZSRYVVCIPXHP-UHFFFAOYSA-N 0 3 307.397 1.276 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)C2(C)CC2)C1 ZINC000983716197 697289307 /nfs/dbraw/zinc/28/93/07/697289307.db2.gz NHZYYGAVBWYWFL-XYPYZODXSA-N 0 3 321.381 1.113 20 5 DDBDHN Cc1nn(CN(C)C[C@@H]2CCOC2)c2ncc([N+](=O)[O-])cc12 ZINC000749964590 700195506 /nfs/dbraw/zinc/19/55/06/700195506.db2.gz QJWJZPYRTNKTPX-NSHDSACASA-N 0 3 305.338 1.574 20 5 DDBDHN CC1(C)CCNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000725374363 699331621 /nfs/dbraw/zinc/33/16/21/699331621.db2.gz JRVLUXYXRJRTJX-UHFFFAOYSA-N 0 3 313.379 1.357 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](CCO)c1cccs1 ZINC000754392088 700499797 /nfs/dbraw/zinc/49/97/97/700499797.db2.gz ZIIAQAHKYONEAK-LBPRGKRZSA-N 0 3 323.374 1.531 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](C(F)(F)F)C2)c1 ZINC000761056549 700837152 /nfs/dbraw/zinc/83/71/52/700837152.db2.gz YADKAXYKHMQBIA-WCBMZHEXSA-N 0 3 308.260 1.036 20 5 DDBDHN C[C@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815594890 701902164 /nfs/dbraw/zinc/90/21/64/701902164.db2.gz AYSMIFFJSBSHFP-ONGXEEELSA-N 0 3 304.350 1.591 20 5 DDBDHN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102575 702290958 /nfs/dbraw/zinc/29/09/58/702290958.db2.gz SHVCUUOBQKVEEI-GXTWGEPZSA-N 0 3 320.345 1.694 20 5 DDBDHN CC(COC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)[N+](=O)[O-] ZINC000813102046 702291254 /nfs/dbraw/zinc/29/12/54/702291254.db2.gz AGWQFJJNGMFGRN-GXTWGEPZSA-N 0 3 320.345 1.429 20 5 DDBDHN COC(=O)c1ccc(Cl)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813105163 702292908 /nfs/dbraw/zinc/29/29/08/702292908.db2.gz WLIYBWVAYBOENG-ZETCQYMHSA-N 0 3 301.682 1.949 20 5 DDBDHN CC(COC(=O)[C@H]1CCCN1Cc1ccc(F)cc1)[N+](=O)[O-] ZINC000813108213 702294903 /nfs/dbraw/zinc/29/49/03/702294903.db2.gz VSZPHXFDHYODLG-BXUZGUMPSA-N 0 3 310.325 1.999 20 5 DDBDHN CC(COC(=O)CCN1c2ccccc2O[C@H](C)C1=O)[N+](=O)[O-] ZINC000813111860 702296942 /nfs/dbraw/zinc/29/69/42/702296942.db2.gz KZNFZQJGSTWYOY-GHMZBOCLSA-N 0 3 322.317 1.399 20 5 DDBDHN CC(COC(=O)[C@H](c1ccccc1)N1CCSCC1)[N+](=O)[O-] ZINC000813112040 702297239 /nfs/dbraw/zinc/29/72/39/702297239.db2.gz YQWVDFZQDOAURG-OCCSQVGLSA-N 0 3 324.402 1.985 20 5 DDBDHN CC(COC(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1)[N+](=O)[O-] ZINC000813114460 702299563 /nfs/dbraw/zinc/29/95/63/702299563.db2.gz BVATWLNPRIFQBX-QBHFIFKDSA-N 0 3 312.366 1.622 20 5 DDBDHN O=C(NC[C@H]1CNCCO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841011729 702310077 /nfs/dbraw/zinc/31/00/77/702310077.db2.gz SWFGMPHPEVKNIN-SECBINFHSA-N 0 3 314.729 1.358 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)OC[C@H]1CCN1C(C)(C)C ZINC000845733413 703195128 /nfs/dbraw/zinc/19/51/28/703195128.db2.gz ALPHFQVZBXTRCS-GFCCVEGCSA-N 0 3 324.381 1.906 20 5 DDBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC(=O)N(C)C1 ZINC000846921016 703351941 /nfs/dbraw/zinc/35/19/41/703351941.db2.gz OHDNONXBUJAWFG-ZIAGYGMSSA-N 0 3 307.350 1.181 20 5 DDBDHN Nc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000848350705 703541772 /nfs/dbraw/zinc/54/17/72/703541772.db2.gz SJYDPIRJNICHTI-KGLIPLIRSA-N 0 3 318.377 1.924 20 5 DDBDHN O=[N+]([O-])c1ccc2nc(N3CCN4C[C@H](O)C[C@H]4C3)sc2c1 ZINC000848766842 703586247 /nfs/dbraw/zinc/58/62/47/703586247.db2.gz ZVEAEZIEQDHGDF-WDEREUQCSA-N 0 3 320.374 1.460 20 5 DDBDHN CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1CCN(CC)C1 ZINC000855491166 704487533 /nfs/dbraw/zinc/48/75/33/704487533.db2.gz PFVCDGSTDZZMED-JTQLQIEISA-N 0 3 307.354 1.128 20 5 DDBDHN CNc1nccc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874830010 705188182 /nfs/dbraw/zinc/18/81/82/705188182.db2.gz PRIKSHOALVPETQ-NEPJUHHUSA-N 0 3 319.365 1.340 20 5 DDBDHN CONC(=O)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000879922719 706820893 /nfs/dbraw/zinc/82/08/93/706820893.db2.gz KBBRUPABACFVOX-UHFFFAOYSA-N 0 3 323.349 1.363 20 5 DDBDHN CC(=O)N1C[C@H]2CN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000880311371 706937750 /nfs/dbraw/zinc/93/77/50/706937750.db2.gz DJAIWTWQMRPDDY-IJEWVQPXSA-N 0 3 319.361 1.038 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC2(CC1)COCCO2 ZINC000880540513 707010241 /nfs/dbraw/zinc/01/02/41/707010241.db2.gz GNOOAESTANYESQ-UHFFFAOYSA-N 0 3 322.361 1.985 20 5 DDBDHN O=[N+]([O-])c1ccccc1OCCN1CCC2(CC1)COCCO2 ZINC000880542493 707011270 /nfs/dbraw/zinc/01/12/70/707011270.db2.gz DAACCOKDGHBPQW-UHFFFAOYSA-N 0 3 322.361 1.855 20 5 DDBDHN CN(CCOC(=O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000837412502 707640362 /nfs/dbraw/zinc/64/03/62/707640362.db2.gz IGXNEXFRERKTFY-UHFFFAOYSA-N 0 3 318.333 1.467 20 5 DDBDHN COCC[C@@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000884101275 708139095 /nfs/dbraw/zinc/13/90/95/708139095.db2.gz STINQADMFGPVGA-CQSZACIVSA-N 0 3 309.366 1.696 20 5 DDBDHN COc1c(O)ccc(CN2CCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000891572966 710238795 /nfs/dbraw/zinc/23/87/95/710238795.db2.gz JOZATIIDBYGVBR-UHFFFAOYSA-N 0 3 309.366 1.835 20 5 DDBDHN CCN1CCN(C[C@H](C)CNc2c([N+](=O)[O-])cnn2C)CC1 ZINC000891897638 710321406 /nfs/dbraw/zinc/32/14/06/710321406.db2.gz MFQKDOIZHORZBC-GFCCVEGCSA-N 0 3 310.402 1.014 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCN1C ZINC000928444033 713198440 /nfs/dbraw/zinc/19/84/40/713198440.db2.gz IJXRACWCVXEBRK-BXKDBHETSA-N 0 3 311.313 1.322 20 5 DDBDHN COc1c(O)ccc(CN2C[C@H](C)N(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000893668093 710769764 /nfs/dbraw/zinc/76/97/64/710769764.db2.gz CXBDJEYSERJQBN-QWRGUYRKSA-N 0 3 309.366 1.833 20 5 DDBDHN Cc1ccnc(NC[C@@H]2CCN2C2CCOCC2)c1[N+](=O)[O-] ZINC000896517476 711736753 /nfs/dbraw/zinc/73/67/53/711736753.db2.gz GLBDMMNOEJRXKV-ZDUSSCGKSA-N 0 3 306.366 1.963 20 5 DDBDHN Cc1nc(NC[C@H]2CCN2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000896521178 711737608 /nfs/dbraw/zinc/73/76/08/711737608.db2.gz HQQRYKYSNLDYGH-CYBMUJFWSA-N 0 3 306.366 1.963 20 5 DDBDHN O=[N+]([O-])CCNCCc1ccc(I)cc1 ZINC000905381210 712022073 /nfs/dbraw/zinc/02/20/73/712022073.db2.gz MKYAXPCZVRLVMB-UHFFFAOYSA-N 0 3 320.130 1.700 20 5 DDBDHN Cc1c([N+](=O)[O-])cc(C(=O)NCCN2CCCC2)cc1[N+](=O)[O-] ZINC000917532780 713502552 /nfs/dbraw/zinc/50/25/52/713502552.db2.gz RPXMSWNRROTOAF-UHFFFAOYSA-N 0 3 322.321 1.637 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000917789285 713513912 /nfs/dbraw/zinc/51/39/12/713513912.db2.gz MLOUYNZUJNVMGO-BXUZGUMPSA-N 0 3 322.365 1.365 20 5 DDBDHN COc1ccc(CNC[C@H]2C[C@@H]3COC[C@@H]3O2)cc1[N+](=O)[O-] ZINC000922726733 714129071 /nfs/dbraw/zinc/12/90/71/714129071.db2.gz YGNRNJSUFYOCRQ-JMSVASOKSA-N 0 3 308.334 1.497 20 5 DDBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1ncc[nH]1 ZINC001022056727 734364824 /nfs/dbraw/zinc/36/48/24/734364824.db2.gz JSBYEHFALNUKHQ-TXEJJXNPSA-N 0 3 315.333 1.369 20 5 DDBDHN Cn1ccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001125659302 735032522 /nfs/dbraw/zinc/03/25/22/735032522.db2.gz SJWFZJGPDNNVAK-UHFFFAOYSA-N 0 3 302.334 1.453 20 5 DDBDHN COc1nc(C)nc(-n2nc(CN)c3ccccc32)c1[N+](=O)[O-] ZINC001167696392 736267953 /nfs/dbraw/zinc/26/79/53/736267953.db2.gz ZEJTXQKOAJDUMG-UHFFFAOYSA-N 0 3 314.305 1.499 20 5 DDBDHN CN1CCN(C(=N)Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC001168735875 748437702 /nfs/dbraw/zinc/43/77/02/748437702.db2.gz VCHNJSOQWAVLDP-UHFFFAOYSA-N 0 3 318.381 1.463 20 5 DDBDHN COC(=O)C[C@H](N[C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccn1 ZINC001168996535 762168769 /nfs/dbraw/zinc/16/87/69/762168769.db2.gz VOYNGRVKLICQBV-OBJOEFQTSA-N 0 3 307.350 1.721 20 5 DDBDHN Cc1ccc(N2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169037231 762192701 /nfs/dbraw/zinc/19/27/01/762192701.db2.gz RGWNCWDKZKFRIK-CABCVRRESA-N 0 3 304.394 1.957 20 5 DDBDHN CCOC(=O)c1cnc(-n2ccc([C@H](C)N)n2)c([N+](=O)[O-])c1 ZINC001169228109 762289896 /nfs/dbraw/zinc/28/98/96/762289896.db2.gz MSSLXIFCINMBMB-QMMMGPOBSA-N 0 3 305.294 1.372 20 5 DDBDHN O=C(C1CC1)N1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001048637310 769606971 /nfs/dbraw/zinc/60/69/71/769606971.db2.gz BDBULAYHTQGNCQ-GASCZTMLSA-N 0 3 315.373 1.895 20 5 DDBDHN CCCN(C)CC(=O)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001093788039 775079614 /nfs/dbraw/zinc/07/96/14/775079614.db2.gz UGBYLSWBLVSWQC-UHFFFAOYSA-N 0 3 312.345 1.604 20 5 DDBDHN Cc1[nH]cnc1CC(=O)NCCNc1nc(C)ccc1[N+](=O)[O-] ZINC001093777028 775101418 /nfs/dbraw/zinc/10/14/18/775101418.db2.gz ROOZNDOCJUNFCO-UHFFFAOYSA-N 0 3 318.337 1.101 20 5 DDBDHN Cc1cnc(N(C)CCNC(=O)CN(C)C(C)C)c([N+](=O)[O-])c1 ZINC001100149918 775735812 /nfs/dbraw/zinc/73/58/12/775735812.db2.gz VOPUTGUCGYHJKJ-UHFFFAOYSA-N 0 3 323.397 1.191 20 5 DDBDHN Cc1cc(NCCCNC(=O)CN(C)C(C)C)ncc1[N+](=O)[O-] ZINC001094456774 775895328 /nfs/dbraw/zinc/89/53/28/775895328.db2.gz QVYXQTGYYXARNT-UHFFFAOYSA-N 0 3 323.397 1.557 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC001116230212 780487231 /nfs/dbraw/zinc/48/72/31/780487231.db2.gz URPUVMHRCBKOMS-WDEREUQCSA-N 0 3 318.377 1.992 20 5 DDBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1ccn[nH]1 ZINC001154885774 861538240 /nfs/dbraw/zinc/53/82/40/861538240.db2.gz DWHBEXVQZZQTHX-UHFFFAOYSA-N 0 3 309.351 1.289 20 5 DDBDHN CN(C)C1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C1 ZINC001327689817 862388542 /nfs/dbraw/zinc/38/85/42/862388542.db2.gz XUTIPAPCBLAHDE-UHFFFAOYSA-N 0 3 307.741 1.942 20 5 DDBDHN Cc1nc(N2CCNC[C@H]2c2cccs2)ncc1[N+](=O)[O-] ZINC001156119465 862735686 /nfs/dbraw/zinc/73/56/86/862735686.db2.gz BGPSVVWSOZPROC-NSHDSACASA-N 0 3 305.363 1.906 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1=COCCC1 ZINC001124656715 859770936 /nfs/dbraw/zinc/77/09/36/859770936.db2.gz WJXWFYULEVCHEJ-UHFFFAOYSA-N 0 3 305.334 1.495 20 5 DDBDHN Cc1nc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])co1 ZINC001157018578 863520178 /nfs/dbraw/zinc/52/01/78/863520178.db2.gz ULOWMBZZIYGRMM-UHFFFAOYSA-N 0 3 318.333 1.801 20 5 DDBDHN COCCC[NH+]1CCC(Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225663756 881966640 /nfs/dbraw/zinc/96/66/40/881966640.db2.gz GMVXCOLFHNTGAO-UHFFFAOYSA-N 0 3 311.338 1.575 20 5 DDBDHN COc1cc([N+](=O)[O-])cnc1NC1CCN([C@H]2CCOC2)CC1 ZINC001333749159 866981278 /nfs/dbraw/zinc/98/12/78/866981278.db2.gz SWFCXCKSOKTTQU-LBPRGKRZSA-N 0 3 322.365 1.664 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC001324580460 867373004 /nfs/dbraw/zinc/37/30/04/867373004.db2.gz MLGVWEUIYPRSNJ-IINYFYTJSA-N 0 3 304.350 1.413 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1C[C@H]1C(F)(F)F ZINC001335412607 868279828 /nfs/dbraw/zinc/27/98/28/868279828.db2.gz PVXBVBIRIPWEOO-IVZWLZJFSA-N 0 3 320.267 1.875 20 5 DDBDHN O=[N+]([O-])c1cnc(N2CC[C@@H]3NCCO[C@H]3C2)c2ccccc21 ZINC001165270261 869482221 /nfs/dbraw/zinc/48/22/21/869482221.db2.gz AGZJFNADMNKMFZ-ZFWWWQNUSA-N 0 3 314.345 1.710 20 5 DDBDHN CN1CCC(NC(=S)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001339561712 870557708 /nfs/dbraw/zinc/55/77/08/870557708.db2.gz MENHLENJTKWISH-UHFFFAOYSA-N 0 3 320.418 1.879 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(C)(C)C)CC1 ZINC001317890632 871620570 /nfs/dbraw/zinc/62/05/70/871620570.db2.gz APZWKEJRPPCJDZ-UHFFFAOYSA-N 0 3 320.393 1.875 20 5 DDBDHN CNc1ccc(C(=O)N2[C@H](C)CN[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC001341769584 871816351 /nfs/dbraw/zinc/81/63/51/871816351.db2.gz ZVXBVUKNMQYLBK-MXWKQRLJSA-N 0 3 306.366 1.847 20 5 DDBDHN Nc1cc(O[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)ccn1 ZINC001226653786 882570444 /nfs/dbraw/zinc/57/04/44/882570444.db2.gz POBNLMIBUOKGOH-CYBMUJFWSA-N 0 3 303.274 1.789 20 5 DDBDHN Cc1c(CN)c(NC(=O)c2cc([N+](=O)[O-])cnc2C)nn1C ZINC001347157799 874037202 /nfs/dbraw/zinc/03/72/02/874037202.db2.gz TVJRDPSCORXDNS-UHFFFAOYSA-N 0 3 304.310 1.051 20 5 DDBDHN COC(=O)[C@]1(C(=O)OCC(C)[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC001348532976 874618956 /nfs/dbraw/zinc/61/89/56/874618956.db2.gz HDSMZCXLQAUQNN-HCKVZZMMSA-N 0 3 307.302 1.542 20 5 DDBDHN Cc1cc(NC(=O)C2CN(C3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC001349856353 875415981 /nfs/dbraw/zinc/41/59/81/875415981.db2.gz GHUBJTZLVOPMLK-UHFFFAOYSA-N 0 3 319.361 1.953 20 5 DDBDHN COC(=O)c1cccc(CO[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC001223665094 881048733 /nfs/dbraw/zinc/04/87/33/881048733.db2.gz NIDPHJULPQINJZ-GFCCVEGCSA-N 0 3 308.334 1.992 20 5 DDBDHN CN(CCCNC(=O)c1cocn1)Cc1cccc([N+](=O)[O-])c1 ZINC001235716829 888910437 /nfs/dbraw/zinc/91/04/37/888910437.db2.gz UEQTULJLXHHZDI-UHFFFAOYSA-N 0 3 318.333 1.835 20 5 DDBDHN CCOc1ccc([C@@H](C)NC[C@H](O)CN(C)C)cc1[N+](=O)[O-] ZINC000153666844 290650202 /nfs/dbraw/zinc/65/02/02/290650202.db2.gz SZUHGZYVQCRGRR-YPMHNXCESA-N 0 3 311.382 1.567 20 5 DDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](CO)CC(C)(C)C ZINC000451787207 529939578 /nfs/dbraw/zinc/93/95/78/529939578.db2.gz JIRMTCMDTUNMDX-CYBMUJFWSA-N 0 3 311.382 1.485 20 5 DDBDHN COc1cc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272655474 282318175 /nfs/dbraw/zinc/31/81/75/282318175.db2.gz QOENHQLPGOEZRN-RISCZKNCSA-N 0 3 319.361 1.770 20 5 DDBDHN COC(CN(CCCO)CCc1ccc([N+](=O)[O-])cc1)OC ZINC000272744342 210149606 /nfs/dbraw/zinc/14/96/06/210149606.db2.gz IRHUFTJPHXELQW-UHFFFAOYSA-N 0 3 312.366 1.441 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000287100143 219313029 /nfs/dbraw/zinc/31/30/29/219313029.db2.gz LIENOEOBFRFOQW-ZYHUDNBSSA-N 0 3 321.381 1.579 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000287100143 219313031 /nfs/dbraw/zinc/31/30/31/219313031.db2.gz LIENOEOBFRFOQW-ZYHUDNBSSA-N 0 3 321.381 1.579 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(CC3CC3)C2)n1 ZINC000617405651 363090912 /nfs/dbraw/zinc/09/09/12/363090912.db2.gz JAEFVYIGTQDJIQ-LLVKDONJSA-N 0 3 307.354 1.025 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cccc(Cl)c2)c1 ZINC000053156032 352643366 /nfs/dbraw/zinc/64/33/66/352643366.db2.gz DDMILKYLDNBBNK-ZDUSSCGKSA-N 0 3 310.741 1.595 20 5 DDBDHN C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000063733279 352921964 /nfs/dbraw/zinc/92/19/64/352921964.db2.gz QLWFMIGEBMPMSB-GFCCVEGCSA-N 0 3 307.350 1.574 20 5 DDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000064334119 352933596 /nfs/dbraw/zinc/93/35/96/352933596.db2.gz ZOLKBZIFPFNPDL-KBPBESRZSA-N 0 3 305.334 1.188 20 5 DDBDHN CCN1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000067725015 353064705 /nfs/dbraw/zinc/06/47/05/353064705.db2.gz CVMLEIWRYQWNNU-UHFFFAOYSA-N 0 3 306.366 1.878 20 5 DDBDHN COC[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174246351 198309955 /nfs/dbraw/zinc/30/99/55/198309955.db2.gz HMGCLXLHKMBGSU-ZDUSSCGKSA-N 0 3 310.350 1.445 20 5 DDBDHN CCCN1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000074073620 353290033 /nfs/dbraw/zinc/29/00/33/353290033.db2.gz YQUWUWFWPGJNLU-UHFFFAOYSA-N 0 3 324.356 1.874 20 5 DDBDHN CCN1CCN([C@H](C)CNc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074740650 353327667 /nfs/dbraw/zinc/32/76/67/353327667.db2.gz DUXKJGBZLYVYDF-CYBMUJFWSA-N 0 3 307.398 1.736 20 5 DDBDHN CCOC(=O)c1ccnc(NC[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000077965670 353498156 /nfs/dbraw/zinc/49/81/56/353498156.db2.gz DVFNYKCSQLALLL-LLVKDONJSA-N 0 3 322.365 1.920 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1N(C)CCCN1CCN(C)CC1 ZINC000092652815 353865845 /nfs/dbraw/zinc/86/58/45/353865845.db2.gz JRHLTFGYCGSAIR-UHFFFAOYSA-N 0 3 307.398 1.372 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC000588966442 354952452 /nfs/dbraw/zinc/95/24/52/354952452.db2.gz ZIMUGFGVIKAJEX-SWLSCSKDSA-N 0 3 310.350 1.039 20 5 DDBDHN COc1cc(CN2CC[C@@H]3CN(C)C[C@H]32)c([N+](=O)[O-])cc1F ZINC000590011039 355040656 /nfs/dbraw/zinc/04/06/56/355040656.db2.gz GHOUWWSSBDIVIL-QMTHXVAHSA-N 0 3 309.341 1.878 20 5 DDBDHN C[C@H](CSc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)N(C)C ZINC000358852412 291055568 /nfs/dbraw/zinc/05/55/68/291055568.db2.gz WIJRQAPRGIDQLI-SECBINFHSA-N 0 3 322.390 1.884 20 5 DDBDHN Cc1cc(N2CN(CCN(C)C)C(=O)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000591984800 355453043 /nfs/dbraw/zinc/45/30/43/355453043.db2.gz HXDJFDCWBIEWAK-LLVKDONJSA-N 0 3 324.356 1.599 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCCC[C@H]1CO ZINC000594017220 356089276 /nfs/dbraw/zinc/08/92/76/356089276.db2.gz VQWCGWKJPHVLBY-KBPBESRZSA-N 0 3 324.377 1.571 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594199311 356138378 /nfs/dbraw/zinc/13/83/78/356138378.db2.gz JTELFQXANUVOET-CHWSQXEVSA-N 0 3 321.381 1.233 20 5 DDBDHN CCc1ccc(C(=O)N[C@@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594450671 356221951 /nfs/dbraw/zinc/22/19/51/356221951.db2.gz NCERQYFPIXSLSX-JTQLQIEISA-N 0 3 305.256 1.777 20 5 DDBDHN CCCN1CC[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594990795 356368867 /nfs/dbraw/zinc/36/88/67/356368867.db2.gz AITYRKXSKDFWNK-CYBMUJFWSA-N 0 3 321.377 1.940 20 5 DDBDHN CCOc1ccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000595260591 356423617 /nfs/dbraw/zinc/42/36/17/356423617.db2.gz DZXJYDCKFZOVMR-GHMZBOCLSA-N 0 3 311.313 1.505 20 5 DDBDHN C[C@@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)c1cccc([N+](=O)[O-])c1 ZINC000595266508 356426065 /nfs/dbraw/zinc/42/60/65/356426065.db2.gz XTXLIHVHNIZSLS-OASPWFOLSA-N 0 3 310.329 1.737 20 5 DDBDHN C[C@@H]1C[C@H](N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000595290672 356434471 /nfs/dbraw/zinc/43/44/71/356434471.db2.gz YMZDPVYVPJDSAD-CHWSQXEVSA-N 0 3 306.366 1.679 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCCN2CCC(O)(CO)CC2)cc1 ZINC000595734808 356627289 /nfs/dbraw/zinc/62/72/89/356627289.db2.gz BPPRAPZUWQGMBK-UHFFFAOYSA-N 0 3 310.350 1.183 20 5 DDBDHN CC(C)(C)N1CC[C@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596308692 356852884 /nfs/dbraw/zinc/85/28/84/356852884.db2.gz KWWSHGQXBROTPH-NSHDSACASA-N 0 3 306.366 1.978 20 5 DDBDHN CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1CN(C)C1 ZINC000597202861 357091060 /nfs/dbraw/zinc/09/10/60/357091060.db2.gz KJXIKMAXPYAVJH-UHFFFAOYSA-N 0 3 307.350 1.359 20 5 DDBDHN Cc1nn(C)c(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000597717021 357299834 /nfs/dbraw/zinc/29/98/34/357299834.db2.gz WJUGKYMVSQIDGF-HNNXBMFYSA-N 0 3 321.381 1.195 20 5 DDBDHN CC(C)(C)N1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000597922516 357382352 /nfs/dbraw/zinc/38/23/52/357382352.db2.gz FKLRSAUMPFVPJU-GFCCVEGCSA-N 0 3 321.377 1.963 20 5 DDBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000598261915 357512480 /nfs/dbraw/zinc/51/24/80/357512480.db2.gz ILQBTOJNEUHMRN-NSHDSACASA-N 0 3 309.370 1.179 20 5 DDBDHN CC[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000598535795 357624682 /nfs/dbraw/zinc/62/46/82/357624682.db2.gz HPVFURHGIFOIJW-QWHCGFSZSA-N 0 3 321.377 1.963 20 5 DDBDHN Cc1ccc(S(=O)(=O)N[C@H]2CCCNC2)c(C)c1[N+](=O)[O-] ZINC000598713371 357701203 /nfs/dbraw/zinc/70/12/03/357701203.db2.gz BKPPQPAUOCPDKN-NSHDSACASA-N 0 3 313.379 1.242 20 5 DDBDHN CC(C)c1ccc(CNCCN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599008823 357792168 /nfs/dbraw/zinc/79/21/68/357792168.db2.gz INQOIJXUVVBFKY-CQSZACIVSA-N 0 3 307.394 1.874 20 5 DDBDHN COc1ccc(CNCCN(C)CC(F)F)cc1[N+](=O)[O-] ZINC000599024023 357797211 /nfs/dbraw/zinc/79/72/11/357797211.db2.gz XNESGGZZHPEBCC-UHFFFAOYSA-N 0 3 303.309 1.890 20 5 DDBDHN CCOc1ccc([C@@H](C)N[C@H]2C[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000599071460 357807451 /nfs/dbraw/zinc/80/74/51/357807451.db2.gz VPEJANURLUQSIL-YUSALJHKSA-N 0 3 307.350 1.908 20 5 DDBDHN NC(=O)[C@@H]1CCCN1CCCNCc1csc([N+](=O)[O-])c1 ZINC000598991209 357785781 /nfs/dbraw/zinc/78/57/81/357785781.db2.gz WHJMPUYCAMMIPT-NSHDSACASA-N 0 3 312.395 1.086 20 5 DDBDHN O=[N+]([O-])c1cccc2c1ccnc2NCCN1CC[C@@H](O)C1 ZINC000599176790 357840394 /nfs/dbraw/zinc/84/03/94/357840394.db2.gz YGERDHNGPZXWMQ-LLVKDONJSA-N 0 3 302.334 1.622 20 5 DDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)CC1(O)CCC1 ZINC000599404071 357923842 /nfs/dbraw/zinc/92/38/42/357923842.db2.gz GZZFXKDGQNKSGV-HNNXBMFYSA-N 0 3 308.378 1.735 20 5 DDBDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000599625808 357997334 /nfs/dbraw/zinc/99/73/34/357997334.db2.gz PRNZPXQAMGHDAE-PUXPGTEJSA-N 0 3 307.350 1.595 20 5 DDBDHN CC(C)[C@@H](CO)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000180614974 199185296 /nfs/dbraw/zinc/18/52/96/199185296.db2.gz TWNAWUJVFITCPG-LLVKDONJSA-N 0 3 315.757 1.793 20 5 DDBDHN CCOc1cc(CN[C@H]2CCC[C@H]2C(=O)NC)ccc1[N+](=O)[O-] ZINC000348146812 283390035 /nfs/dbraw/zinc/39/00/35/283390035.db2.gz FTSYPIIMVFWLNG-OLZOCXBDSA-N 0 3 321.377 1.998 20 5 DDBDHN COC[C@@]1(C(=O)NCc2cccc([N+](=O)[O-])c2C)CCCCN1 ZINC000602498767 359015259 /nfs/dbraw/zinc/01/52/59/359015259.db2.gz KRTZQTWRDBTBLW-MRXNPFEDSA-N 0 3 321.377 1.678 20 5 DDBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3cn(C)nc3[N+](=O)[O-])[C@H]2C1 ZINC000602834198 359225368 /nfs/dbraw/zinc/22/53/68/359225368.db2.gz SURUXXNVFAXXPZ-UBHSHLNASA-N 0 3 321.381 1.065 20 5 DDBDHN CN(CCN(C)C1CC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000186789982 200011326 /nfs/dbraw/zinc/01/13/26/200011326.db2.gz XKWCBVFNYPZVJU-UHFFFAOYSA-N 0 3 307.350 1.526 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H](CC(N)=O)C1CCCCC1 ZINC000348370329 283485799 /nfs/dbraw/zinc/48/57/99/283485799.db2.gz VQECSNJJOIQEQN-LLVKDONJSA-N 0 3 309.370 1.242 20 5 DDBDHN COc1cc(CNC[C@@H]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000188836599 200310108 /nfs/dbraw/zinc/31/01/08/200310108.db2.gz IZJOCZYUPDMLSO-ZYHUDNBSSA-N 0 3 310.350 1.863 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC([C@H]2CCCO2)CC1 ZINC000189113328 200351154 /nfs/dbraw/zinc/35/11/54/200351154.db2.gz BUAJUJSNMSBYAL-OAHLLOKOSA-N 0 3 321.377 1.648 20 5 DDBDHN COCCN1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000609268828 360285883 /nfs/dbraw/zinc/28/58/83/360285883.db2.gz DMCZXQSFKTUQII-CQSZACIVSA-N 0 3 321.377 1.364 20 5 DDBDHN COc1ccc(CC(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000610208769 360390555 /nfs/dbraw/zinc/39/05/55/360390555.db2.gz KRPRCMCVDQXJMO-YPMHNXCESA-N 0 3 321.377 1.745 20 5 DDBDHN C[C@H]1CN(c2cccnc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000611204551 360659155 /nfs/dbraw/zinc/65/91/55/360659155.db2.gz RWTHUGYEDYWDCC-UONOGXRCSA-N 0 3 319.409 1.452 20 5 DDBDHN O=C1N[C@H]2CCN(CCOc3cccc([N+](=O)[O-])c3)C[C@@H]2CO1 ZINC000281370498 216254303 /nfs/dbraw/zinc/25/43/03/216254303.db2.gz OMZUVAOADKOFOM-RISCZKNCSA-N 0 3 321.333 1.404 20 5 DDBDHN N[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000261929334 203155134 /nfs/dbraw/zinc/15/51/34/203155134.db2.gz ZPTRJGXLHYTTRJ-CQSZACIVSA-N 0 3 307.350 1.007 20 5 DDBDHN CCc1n[n-]c(C(=O)NCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000264679556 204072524 /nfs/dbraw/zinc/07/25/24/204072524.db2.gz OVFLLALFTLILLM-UHFFFAOYSA-N 0 3 306.326 1.205 20 5 DDBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000351251160 284312408 /nfs/dbraw/zinc/31/24/08/284312408.db2.gz GMOQIAAVRLPBOV-PHIMTYICSA-N 0 3 321.381 1.565 20 5 DDBDHN C[C@@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)NCCF ZINC000282750717 217224195 /nfs/dbraw/zinc/22/41/95/217224195.db2.gz NTERRHPYADZKCL-NWDGAFQWSA-N 0 3 311.357 1.980 20 5 DDBDHN Cc1ccc([C@@H](C)[NH2+]CCCOC([O-])=NC(N)=O)cc1[N+](=O)[O-] ZINC000271686404 209126427 /nfs/dbraw/zinc/12/64/27/209126427.db2.gz DBNCAFZVHGANIX-SNVBAGLBSA-N 0 3 324.337 1.749 20 5 DDBDHN Cc1ccc([C@@H](C)[NH2+]CCCOC(=O)N=C(N)[O-])cc1[N+](=O)[O-] ZINC000271686404 209126431 /nfs/dbraw/zinc/12/64/31/209126431.db2.gz DBNCAFZVHGANIX-SNVBAGLBSA-N 0 3 324.337 1.749 20 5 DDBDHN C[C@H](CO)N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000351525012 284361824 /nfs/dbraw/zinc/36/18/24/284361824.db2.gz QOGNVFXFJSMYJZ-LLVKDONJSA-N 0 3 321.377 1.819 20 5 DDBDHN NC(=O)C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000026218761 182433963 /nfs/dbraw/zinc/43/39/63/182433963.db2.gz QLJJQWRUUMLJPO-UHFFFAOYSA-N 0 3 320.349 1.121 20 5 DDBDHN CCc1nn(C)c(N2C[C@@H](SC)[C@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000340753725 251194247 /nfs/dbraw/zinc/19/42/47/251194247.db2.gz MNYDTHMSHUQLOI-GHMZBOCLSA-N 0 3 313.427 1.373 20 5 DDBDHN CN1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000340745928 251188941 /nfs/dbraw/zinc/18/89/41/251188941.db2.gz SABCAHMFWCZGEE-SNVBAGLBSA-N 0 3 320.378 1.684 20 5 DDBDHN CN(C)[C@@]1(CNc2ncc([N+](=O)[O-])cc2F)CCSC1 ZINC000413167487 224147376 /nfs/dbraw/zinc/14/73/76/224147376.db2.gz HUBDLJHRNRAUCN-GFCCVEGCSA-N 0 3 300.359 1.978 20 5 DDBDHN C[C@@H]1CSC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000352814418 285318257 /nfs/dbraw/zinc/31/82/57/285318257.db2.gz GERDHOXYLIHQBJ-ZWNOBZJWSA-N 0 3 321.402 1.825 20 5 DDBDHN Cc1ccc(C(C)(C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000353634652 285840062 /nfs/dbraw/zinc/84/00/62/285840062.db2.gz MCBBHDITTPYCIE-AWEZNQCLSA-N 0 3 319.365 1.381 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000072064512 406873770 /nfs/dbraw/zinc/87/37/70/406873770.db2.gz BPBNUZPXEYORQG-KGLIPLIRSA-N 0 3 319.361 1.496 20 5 DDBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@H]2CN2CCOCC2)cc1 ZINC000075889609 406946497 /nfs/dbraw/zinc/94/64/97/406946497.db2.gz FDPURMBQYBJYJV-KRWDZBQOSA-N 0 3 319.405 1.934 20 5 DDBDHN CN(C)CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000065746469 407245316 /nfs/dbraw/zinc/24/53/16/407245316.db2.gz OOEOPEMINWQGGS-UHFFFAOYSA-N 0 3 323.397 1.514 20 5 DDBDHN CCN(CCNC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000101984964 407318753 /nfs/dbraw/zinc/31/87/53/407318753.db2.gz QMAFBUJCJAOKNG-UHFFFAOYSA-N 0 3 306.366 1.878 20 5 DDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000126048127 407403576 /nfs/dbraw/zinc/40/35/76/407403576.db2.gz GDPPBWZYJCQJLZ-JSGCOSHPSA-N 0 3 320.393 1.805 20 5 DDBDHN C[C@H](NC(=O)CNC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000151460940 407440649 /nfs/dbraw/zinc/44/06/49/407440649.db2.gz ZGGMPMNXDCDSEH-SMDDNHRTSA-N 0 3 307.350 1.541 20 5 DDBDHN C[C@H]1OCC[C@]1(O)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000227966870 407641727 /nfs/dbraw/zinc/64/17/27/407641727.db2.gz GJRWTJZLXKFACD-RNCFNFMXSA-N 0 3 300.742 1.878 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000267339938 407841905 /nfs/dbraw/zinc/84/19/05/407841905.db2.gz DJXCKXVTGWECAJ-CYBMUJFWSA-N 0 3 306.366 1.457 20 5 DDBDHN CNC(=O)c1ccc(N[C@H]2C[C@@H](C)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000133550080 407855486 /nfs/dbraw/zinc/85/54/86/407855486.db2.gz YXRJVUHWJAOUHU-PWSUYJOCSA-N 0 3 318.377 1.992 20 5 DDBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H](N2CCCCC2)C1 ZINC000153681760 407877606 /nfs/dbraw/zinc/87/76/06/407877606.db2.gz XJZDMMRPJONMJB-NSHDSACASA-N 0 3 307.354 1.408 20 5 DDBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180565512 407901200 /nfs/dbraw/zinc/90/12/00/407901200.db2.gz DEBZACKUKOQYTB-NSHDSACASA-N 0 3 321.381 1.566 20 5 DDBDHN CC[C@H](c1ccncc1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245714596 408050282 /nfs/dbraw/zinc/05/02/82/408050282.db2.gz PWTOXOXDNXDGBV-HUUCEWRRSA-N 0 3 319.365 1.630 20 5 DDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1ccc([N+](=O)[O-])cn1 ZINC000263761502 408242804 /nfs/dbraw/zinc/24/28/04/408242804.db2.gz USLDQLRHTSYWEL-CYBMUJFWSA-N 0 3 321.381 1.344 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CC1CCN(C)CC1 ZINC000171563662 162225828 /nfs/dbraw/zinc/22/58/28/162225828.db2.gz SMHYGKOMRTWTCG-UHFFFAOYSA-N 0 3 306.366 1.712 20 5 DDBDHN CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CCN1C[C@H](C)O ZINC000247021309 408390825 /nfs/dbraw/zinc/39/08/25/408390825.db2.gz CQQJVZJJQAKOOM-ZFWWWQNUSA-N 0 3 307.394 1.872 20 5 DDBDHN COCCN(CCN(C)C)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000269703745 408396652 /nfs/dbraw/zinc/39/66/52/408396652.db2.gz MMPFLVFZMRTZPV-UHFFFAOYSA-N 0 3 323.393 1.482 20 5 DDBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000184000250 408527623 /nfs/dbraw/zinc/52/76/23/408527623.db2.gz JZFPOBGRUKWQPC-UHFFFAOYSA-N 0 3 301.368 1.009 20 5 DDBDHN CC[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000247392441 408461440 /nfs/dbraw/zinc/46/14/40/408461440.db2.gz XGLYJJYLFLZQPJ-DZGCQCFKSA-N 0 3 307.394 1.872 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000270518191 408560734 /nfs/dbraw/zinc/56/07/34/408560734.db2.gz SHGLMNZYYQTNOH-QWHCGFSZSA-N 0 3 309.391 1.712 20 5 DDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H](CO)c1ccccc1 ZINC000270563182 408581780 /nfs/dbraw/zinc/58/17/80/408581780.db2.gz KWJGGVPOJBTJMF-OAHLLOKOSA-N 0 3 317.345 1.422 20 5 DDBDHN CCc1n[nH]c(C(=O)N(C)C[C@H]2CCCN2CC)c1[N+](=O)[O-] ZINC000177422176 408610717 /nfs/dbraw/zinc/61/07/17/408610717.db2.gz KAIPTDHCNXJSHP-SNVBAGLBSA-N 0 3 309.370 1.437 20 5 DDBDHN CO[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000251933776 408790630 /nfs/dbraw/zinc/79/06/30/408790630.db2.gz UBUONCFZSBKOJG-DUVNUKRYSA-N 0 3 324.377 1.691 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@](C)(O)C1 ZINC000177980388 408751010 /nfs/dbraw/zinc/75/10/10/408751010.db2.gz IDWPOWZMNKULKY-HNNXBMFYSA-N 0 3 323.349 1.389 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCN(C3CCCCC3)CC2)c1 ZINC000163033179 408753693 /nfs/dbraw/zinc/75/36/93/408753693.db2.gz FHDZMCDMNLGHGZ-UHFFFAOYSA-N 0 3 307.398 1.742 20 5 DDBDHN CN(C)c1ccc([N+](=O)[O-])c(OC[C@@H](O)CN(C)C2CC2)c1 ZINC000290794697 408834572 /nfs/dbraw/zinc/83/45/72/408834572.db2.gz OVLVVBFCSUBFLV-ZDUSSCGKSA-N 0 3 309.366 1.495 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(NCCN2CCN(C)C(C)(C)C2)n1 ZINC000281675613 408909144 /nfs/dbraw/zinc/90/91/44/408909144.db2.gz QHJFQMLIVYIKHS-UHFFFAOYSA-N 0 3 307.398 1.736 20 5 DDBDHN COC(=O)c1cc(C(=O)NC[C@@H]2CCCN2C)cc([N+](=O)[O-])c1 ZINC000194734002 163295746 /nfs/dbraw/zinc/29/57/46/163295746.db2.gz BWJAWHJZWVXONC-LBPRGKRZSA-N 0 3 321.333 1.205 20 5 DDBDHN O=C(NCCCNCc1cccnc1)c1ccc([N+](=O)[O-])o1 ZINC000238048472 163396512 /nfs/dbraw/zinc/39/65/12/163396512.db2.gz JSRAPJGFBGCZCN-UHFFFAOYSA-N 0 3 304.306 1.493 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000277567934 408966026 /nfs/dbraw/zinc/96/60/26/408966026.db2.gz KWUKJXAVIGEOEJ-MNOVXSKESA-N 0 3 319.361 1.958 20 5 DDBDHN CC(C)(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000292153629 408990642 /nfs/dbraw/zinc/99/06/42/408990642.db2.gz NTPKIWSXRZVNFS-GFCCVEGCSA-N 0 3 322.340 1.816 20 5 DDBDHN CSC[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000292297396 409019535 /nfs/dbraw/zinc/01/95/35/409019535.db2.gz CXSYZMMMOCSARM-LBPRGKRZSA-N 0 3 311.407 1.832 20 5 DDBDHN COC(=O)c1cc(C)nc(N2C[C@H]3CN(C)C[C@H]3C2)c1[N+](=O)[O-] ZINC000287539738 409051707 /nfs/dbraw/zinc/05/17/07/409051707.db2.gz BOBLQPLRUFRBLN-PHIMTYICSA-N 0 3 320.349 1.083 20 5 DDBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)[C@@H]2CCOC2)c(Cl)c1 ZINC000280427142 409310662 /nfs/dbraw/zinc/31/06/62/409310662.db2.gz ZUXHPEDLBNTHKG-VXGBXAGGSA-N 0 3 314.769 1.983 20 5 DDBDHN C[C@@H]1CN(CCN(C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000285368113 409414708 /nfs/dbraw/zinc/41/47/08/409414708.db2.gz QSRWUTZASNXTLV-CQSZACIVSA-N 0 3 307.394 1.790 20 5 DDBDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356715587 409547616 /nfs/dbraw/zinc/54/76/16/409547616.db2.gz SEZIUXJWURPXQU-LBPRGKRZSA-N 0 3 323.397 1.569 20 5 DDBDHN CNc1ccc(C(=O)N2CCC[C@@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000315158745 409840629 /nfs/dbraw/zinc/84/06/29/409840629.db2.gz FQUPOAFZZGPIJQ-GFCCVEGCSA-N 0 3 306.366 1.803 20 5 DDBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H](C)C1 ZINC000346229488 409869901 /nfs/dbraw/zinc/86/99/01/409869901.db2.gz MBNUOODYTMMJMR-UMNHJUIQSA-N 0 3 307.354 1.120 20 5 DDBDHN C[C@@H]1C[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CN1C1CC1 ZINC000357513634 410078425 /nfs/dbraw/zinc/07/84/25/410078425.db2.gz NPRREUVXTCNYLQ-BDAKNGLRSA-N 0 3 305.338 1.126 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCN(C)CC1 ZINC000298652061 410330044 /nfs/dbraw/zinc/33/00/44/410330044.db2.gz DCZUSJFLRPDFBH-UHFFFAOYSA-N 0 3 306.366 1.479 20 5 DDBDHN CN(C)CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000298780721 410396716 /nfs/dbraw/zinc/39/67/16/410396716.db2.gz NUZFYMDCXOLMII-UHFFFAOYSA-N 0 3 306.366 1.804 20 5 DDBDHN CN1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000298788834 410400345 /nfs/dbraw/zinc/40/03/45/410400345.db2.gz RGTDTMCKGRWDQA-UHFFFAOYSA-N 0 3 307.350 1.528 20 5 DDBDHN CCN1CC[C@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H]1C ZINC000347534899 410601092 /nfs/dbraw/zinc/60/10/92/410601092.db2.gz ZSUSDZOMYRKDBF-MNOVXSKESA-N 0 3 309.370 1.273 20 5 DDBDHN CNC(=O)c1ccc(N[C@H]2CCCN(C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000343596267 410560967 /nfs/dbraw/zinc/56/09/67/410560967.db2.gz GVJTXWZAQRMWTG-PWSUYJOCSA-N 0 3 306.366 1.849 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](N2CCCC2)C1 ZINC000301141815 410663337 /nfs/dbraw/zinc/66/33/37/410663337.db2.gz GJEZGCXXQDFVSN-CYBMUJFWSA-N 0 3 318.377 1.629 20 5 DDBDHN COc1c(C(=O)N(C)CCN2CCCC2)cccc1[N+](=O)[O-] ZINC000355671584 410632943 /nfs/dbraw/zinc/63/29/43/410632943.db2.gz JHXMBVJMGBTJAM-UHFFFAOYSA-N 0 3 307.350 1.771 20 5 DDBDHN CCN(CCN1CCCCCC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000343786141 410698742 /nfs/dbraw/zinc/69/87/42/410698742.db2.gz JMTZYAGZPQZJQK-UHFFFAOYSA-N 0 3 308.386 1.669 20 5 DDBDHN C[C@@H]1[C@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000337299226 410700331 /nfs/dbraw/zinc/70/03/31/410700331.db2.gz MGDUOFBPHNPWIR-OLZOCXBDSA-N 0 3 320.393 1.948 20 5 DDBDHN Cc1nc(N2CCC(CN3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000301673593 410769406 /nfs/dbraw/zinc/76/94/06/410769406.db2.gz ZZVKLYDIGNEHTF-UHFFFAOYSA-N 0 3 320.393 1.847 20 5 DDBDHN O=C(CN1CCCC1)N1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000301993565 410836378 /nfs/dbraw/zinc/83/63/78/410836378.db2.gz OOENVQYYQRVZCY-UHFFFAOYSA-N 0 3 324.406 1.401 20 5 DDBDHN CN(CCc1ccccc1O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000344230936 411043602 /nfs/dbraw/zinc/04/36/02/411043602.db2.gz YYCHRQHRAPDORL-CQSZACIVSA-N 0 3 320.349 1.032 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000417188109 225237588 /nfs/dbraw/zinc/23/75/88/225237588.db2.gz VLALHJLEJXCORB-QWRGUYRKSA-N 0 3 322.365 1.495 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N2CCCN(C3CCOCC3)CC2)n1 ZINC000366220286 418444948 /nfs/dbraw/zinc/44/49/48/418444948.db2.gz UKQBGVMVAOBKFG-UHFFFAOYSA-N 0 3 320.393 1.989 20 5 DDBDHN CNc1c(C(=O)NCC2=CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000360947972 418552654 /nfs/dbraw/zinc/55/26/54/418552654.db2.gz YVPOPTRTGSFHNP-UHFFFAOYSA-N 0 3 304.350 1.628 20 5 DDBDHN Cc1c([C@@H](C)NCCNc2cnccn2)cccc1[N+](=O)[O-] ZINC000361980120 418733914 /nfs/dbraw/zinc/73/39/14/418733914.db2.gz HGAUBZMMJUHLPD-GFCCVEGCSA-N 0 3 301.350 2.456 20 5 DDBDHN C[C@@H]1COCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000371105293 418762833 /nfs/dbraw/zinc/76/28/33/418762833.db2.gz BIFRNKNGKQODLZ-LBPRGKRZSA-N 0 3 307.350 1.892 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000371544166 418799865 /nfs/dbraw/zinc/79/98/65/418799865.db2.gz DPLVYQAWWQXUDN-DZGCQCFKSA-N 0 3 303.362 1.690 20 5 DDBDHN C[C@H](CO)N1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372721317 418894625 /nfs/dbraw/zinc/89/46/25/418894625.db2.gz CVHRRJULWGBCJU-CYBMUJFWSA-N 0 3 321.377 1.052 20 5 DDBDHN C[C@@H]1NCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000417931718 419396942 /nfs/dbraw/zinc/39/69/42/419396942.db2.gz CERXWWVYFLVHCQ-RYUDHWBXSA-N 0 3 306.366 1.529 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2C[C@H](O)C[C@H]2c2ccccc2)n1 ZINC000411948337 419513505 /nfs/dbraw/zinc/51/35/05/419513505.db2.gz PQNWEPGZLRNRRD-KGLIPLIRSA-N 0 3 302.334 1.599 20 5 DDBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000421710851 419698016 /nfs/dbraw/zinc/69/80/16/419698016.db2.gz MPYIWBCGLGVTPM-LLVKDONJSA-N 0 3 321.333 1.490 20 5 DDBDHN CC1(C)C[C@@H](NC[C@@H]2CNCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000423580175 420087222 /nfs/dbraw/zinc/08/72/22/420087222.db2.gz XHTIRRHKOZJKPL-SWLSCSKDSA-N 0 3 305.378 1.895 20 5 DDBDHN C[C@]1(F)CNCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000420336904 420219122 /nfs/dbraw/zinc/21/91/22/420219122.db2.gz QLOBWFSUOADVTC-HNNXBMFYSA-N 0 3 324.356 1.557 20 5 DDBDHN CN(C)[C@]1(CNc2c(C(N)=O)cccc2[N+](=O)[O-])CCSC1 ZINC000420607240 420329094 /nfs/dbraw/zinc/32/90/94/420329094.db2.gz ZUFDWIVVRIKJEE-AWEZNQCLSA-N 0 3 324.406 1.543 20 5 DDBDHN C[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@H](C)CN1 ZINC000417760555 420470503 /nfs/dbraw/zinc/47/05/03/420470503.db2.gz GIFQITUCTDURAG-VXGBXAGGSA-N 0 3 306.366 1.529 20 5 DDBDHN CCCc1n[nH]c(C(=O)NCCN2CCCC2(C)C)c1[N+](=O)[O-] ZINC000457083095 420605470 /nfs/dbraw/zinc/60/54/70/420605470.db2.gz XEIFQYWQWREILM-UHFFFAOYSA-N 0 3 323.397 1.875 20 5 DDBDHN CN1CCN(CCNCc2ccc([N+](=O)[O-])cc2F)CC1(C)C ZINC000441372715 420649125 /nfs/dbraw/zinc/64/91/25/420649125.db2.gz QCDOUNCIXLIWJZ-UHFFFAOYSA-N 0 3 324.400 1.850 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1cnn(C)c1 ZINC000449210898 420971150 /nfs/dbraw/zinc/97/11/50/420971150.db2.gz SGUPBGCLYVUFAC-FZMZJTMJSA-N 0 3 304.350 1.583 20 5 DDBDHN Cc1ccc(CN2C[C@@H](C)N(CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000449536561 421023106 /nfs/dbraw/zinc/02/31/06/421023106.db2.gz FIYBLCIYHJZZQZ-OKILXGFUSA-N 0 3 307.394 1.790 20 5 DDBDHN C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)N1CCO ZINC000449536578 421023526 /nfs/dbraw/zinc/02/35/26/421023526.db2.gz FMDMPXJEPMOXPD-GWJAVYCQSA-N 0 3 319.405 1.995 20 5 DDBDHN COc1ccc(CC(=O)NC2(CN(C)C)CCC2)cc1[N+](=O)[O-] ZINC000545254910 421246115 /nfs/dbraw/zinc/24/61/15/421246115.db2.gz YUUWNXQXPFPSON-UHFFFAOYSA-N 0 3 321.377 1.746 20 5 DDBDHN C[C@H]1CCN(C)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000524590598 421262966 /nfs/dbraw/zinc/26/29/66/421262966.db2.gz MERNYVKTGRQZOY-LBPRGKRZSA-N 0 3 306.366 1.830 20 5 DDBDHN Cc1cc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000514857132 421460402 /nfs/dbraw/zinc/46/04/02/421460402.db2.gz ZQKOPSKPYXSNIN-AWEZNQCLSA-N 0 3 320.349 1.166 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](c2ccncc2)C1 ZINC000581139311 421909260 /nfs/dbraw/zinc/90/92/60/421909260.db2.gz ARDKMDVHDBZFPA-CQSZACIVSA-N 0 3 314.345 1.641 20 5 DDBDHN O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CCN3C3CCCC3)nn21 ZINC000599164059 422402269 /nfs/dbraw/zinc/40/22/69/422402269.db2.gz IUZFWPGKDPPXFG-LBPRGKRZSA-N 0 3 316.365 2.066 20 5 DDBDHN Cn1c(C(=O)NC[C@@H]2N(C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000344620095 272071583 /nfs/dbraw/zinc/07/15/83/272071583.db2.gz RKVRLWARCYTRCK-LBPRGKRZSA-N 0 3 308.382 1.784 20 5 DDBDHN CCOc1cc(N2CCCN([C@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000345044510 272162589 /nfs/dbraw/zinc/16/25/89/272162589.db2.gz QCRSMDNZSQHBJY-CYBMUJFWSA-N 0 3 323.393 1.886 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@]3(CCN(C)C3)C2)c1 ZINC000323802948 274004782 /nfs/dbraw/zinc/00/47/82/274004782.db2.gz GZXBTGRBYMLOCY-INIZCTEOSA-N 0 3 319.361 1.913 20 5 DDBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4nonc43)[C@H]2C1 ZINC000272188278 277146839 /nfs/dbraw/zinc/14/68/39/277146839.db2.gz LOSVBPJDZDEBNU-SKDRFNHKSA-N 0 3 303.322 1.661 20 5 DDBDHN COC(=O)C1(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000450557136 277308510 /nfs/dbraw/zinc/30/85/10/277308510.db2.gz BMMNJAXMSMMXJE-LLVKDONJSA-N 0 3 320.349 1.429 20 5 DDBDHN O=C(CCNC[C@H](O)C(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000572880741 304561868 /nfs/dbraw/zinc/56/18/68/304561868.db2.gz LGXLCJPFFYAINE-JTQLQIEISA-N 0 3 303.265 1.139 20 5 DDBDHN COc1ccc(C(=O)N2CC[C@H]3CCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000362287203 300044351 /nfs/dbraw/zinc/04/43/51/300044351.db2.gz OKAYVEIMXGJVHB-RISCZKNCSA-N 0 3 319.361 1.770 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCOCC1 ZINC000363379591 300259767 /nfs/dbraw/zinc/25/97/67/300259767.db2.gz SSHFBAQHLOAEGJ-UHFFFAOYSA-N 0 3 323.349 1.654 20 5 DDBDHN N=C(NO)[C@H]1CCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000363783561 300307272 /nfs/dbraw/zinc/30/72/72/300307272.db2.gz WZFYSDAUWZCMMS-GFCCVEGCSA-N 0 3 321.337 1.344 20 5 DDBDHN CN1CCC[C@@H](N2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)C1 ZINC000369212342 301146350 /nfs/dbraw/zinc/14/63/50/301146350.db2.gz DBYCYRXNNFDKPX-CQSZACIVSA-N 0 3 319.409 1.393 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000370445624 301340873 /nfs/dbraw/zinc/34/08/73/301340873.db2.gz WHMUTWSFPFXMPS-FZMZJTMJSA-N 0 3 319.361 1.770 20 5 DDBDHN CN(C)CCN1CCCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000374223816 301781032 /nfs/dbraw/zinc/78/10/32/301781032.db2.gz OWEXFCCBHDBKCA-UHFFFAOYSA-N 0 3 310.373 1.808 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1C[NH2+]CC[C@@H]1C ZINC000193403624 302049394 /nfs/dbraw/zinc/04/93/94/302049394.db2.gz DXANEFXUYJDBAD-GXSJLCMTSA-N 0 3 313.379 1.180 20 5 DDBDHN C[C@@H]1CCN(CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000538709536 303389280 /nfs/dbraw/zinc/38/92/80/303389280.db2.gz LQYMPADZIKMSRL-SNVBAGLBSA-N 0 3 321.333 1.395 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCO[C@H]1C1CC1 ZINC000365189304 307061243 /nfs/dbraw/zinc/06/12/43/307061243.db2.gz BAXCGHTYRUIMBE-HOCLYGCPSA-N 0 3 319.361 1.999 20 5 DDBDHN CCn1nccc1CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000374782881 307214001 /nfs/dbraw/zinc/21/40/01/307214001.db2.gz YGGTWOOCGMFAHW-UHFFFAOYSA-N 0 3 318.381 1.887 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC(c3cnccn3)CC2)n1 ZINC000375728010 307229742 /nfs/dbraw/zinc/22/97/42/307229742.db2.gz WSDPXJDWKYJPPK-UHFFFAOYSA-N 0 3 302.338 1.461 20 5 DDBDHN Cc1ccccc1[C@@H](CO)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000543836031 307712232 /nfs/dbraw/zinc/71/22/32/307712232.db2.gz GSBXFLURHMBEJD-OAHLLOKOSA-N 0 3 317.345 1.388 20 5 DDBDHN COCCN1CC[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000582795788 337169127 /nfs/dbraw/zinc/16/91/27/337169127.db2.gz AYEUKEDAFNURSV-WFASDCNBSA-N 0 3 305.378 1.892 20 5 DDBDHN C[C@H](N[C@@H]1C[C@H](O)C1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000584478656 337348260 /nfs/dbraw/zinc/34/82/60/337348260.db2.gz YHNRSBLJAYZRRA-BIMULSAOSA-N 0 3 307.350 1.671 20 5 DDBDHN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000348143050 490748808 /nfs/dbraw/zinc/74/88/08/490748808.db2.gz ORWDYHWOTSNVPQ-GWCFXTLKSA-N 0 3 307.350 1.598 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](CO)C(C)(C)C ZINC000444704323 534340057 /nfs/dbraw/zinc/34/00/57/534340057.db2.gz KVTCTTXSBBTMML-ZDUSSCGKSA-N 0 3 309.366 1.838 20 5 DDBDHN O=C(NC[C@@H]1CCCN1CCCO)c1ccccc1[N+](=O)[O-] ZINC000452347342 534571849 /nfs/dbraw/zinc/57/18/49/534571849.db2.gz IJRNFIFWSIMFQX-LBPRGKRZSA-N 0 3 307.350 1.171 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000330890008 528548932 /nfs/dbraw/zinc/54/89/32/528548932.db2.gz BPXYYFSFWDHXDO-ZJUUUORDSA-N 0 3 309.370 1.483 20 5 DDBDHN CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736452660 598772777 /nfs/dbraw/zinc/77/27/77/598772777.db2.gz HGDOKONSCNPOHP-UHFFFAOYSA-N 0 3 319.369 1.919 20 5 DDBDHN CCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736452660 598772778 /nfs/dbraw/zinc/77/27/78/598772778.db2.gz HGDOKONSCNPOHP-UHFFFAOYSA-N 0 3 319.369 1.919 20 5 DDBDHN CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736452660 598772780 /nfs/dbraw/zinc/77/27/80/598772780.db2.gz HGDOKONSCNPOHP-UHFFFAOYSA-N 0 3 319.369 1.919 20 5 DDBDHN CCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736452660 598772782 /nfs/dbraw/zinc/77/27/82/598772782.db2.gz HGDOKONSCNPOHP-UHFFFAOYSA-N 0 3 319.369 1.919 20 5 DDBDHN CN1CCC[C@@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119739559 696684861 /nfs/dbraw/zinc/68/48/61/696684861.db2.gz ITVIGVXZEHJRRF-VIFPVBQESA-N 0 3 319.408 1.276 20 5 DDBDHN Cc1nn(CN2CC[C@](C)(C(N)=O)C2)c2ccc([N+](=O)[O-])cc12 ZINC000794704604 699825311 /nfs/dbraw/zinc/82/53/11/699825311.db2.gz LIXCPBCAXGZWNK-HNNXBMFYSA-N 0 3 317.349 1.408 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCc1cnn(C)n1 ZINC000815144331 701814314 /nfs/dbraw/zinc/81/43/14/701814314.db2.gz GFSJPFAHODAWRM-UHFFFAOYSA-N 0 3 319.365 1.844 20 5 DDBDHN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102576 702291239 /nfs/dbraw/zinc/29/12/39/702291239.db2.gz SHVCUUOBQKVEEI-JSGCOSHPSA-N 0 3 320.345 1.694 20 5 DDBDHN CC(COC(=O)c1ccc(N2CCOCC2)c(F)c1)[N+](=O)[O-] ZINC000813104548 702292193 /nfs/dbraw/zinc/29/21/93/702292193.db2.gz OIWHOSOEUJFCSO-JTQLQIEISA-N 0 3 312.297 1.484 20 5 DDBDHN Cc1cccc2c1ncn(CCC(=O)OCC(C)[N+](=O)[O-])c2=O ZINC000813107500 702293855 /nfs/dbraw/zinc/29/38/55/702293855.db2.gz RCIHTXMFAGWERG-NSHDSACASA-N 0 3 319.317 1.303 20 5 DDBDHN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813107616 702294106 /nfs/dbraw/zinc/29/41/06/702294106.db2.gz PFTLSJPFBUAFMK-MRVPVSSYSA-N 0 3 323.305 1.425 20 5 DDBDHN CC(COC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)[N+](=O)[O-] ZINC000813108214 702294950 /nfs/dbraw/zinc/29/49/50/702294950.db2.gz VSZPHXFDHYODLG-FZMZJTMJSA-N 0 3 310.325 1.999 20 5 DDBDHN CC(COC(=O)COc1cccc(N2CCCC2=O)c1)[N+](=O)[O-] ZINC000813109293 702295491 /nfs/dbraw/zinc/29/54/91/702295491.db2.gz HPUIGBJFEZFXRI-NSHDSACASA-N 0 3 322.317 1.401 20 5 DDBDHN COc1ccccc1N1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813113394 702297860 /nfs/dbraw/zinc/29/78/60/702297860.db2.gz CYQAGWWUALHKPN-MNOVXSKESA-N 0 3 322.317 1.257 20 5 DDBDHN CCc1nc(-c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)n[nH]1 ZINC000813114923 702299112 /nfs/dbraw/zinc/29/91/12/702299112.db2.gz XVNRFSQCAJCNAR-VIFPVBQESA-N 0 3 304.306 1.856 20 5 DDBDHN C[C@H](N[C@H]1CNCCC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817979518 702541733 /nfs/dbraw/zinc/54/17/33/702541733.db2.gz BOZXZSLNIQTCAX-UFBFGSQYSA-N 0 3 300.309 1.825 20 5 DDBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)COC1(C)CNC1)CC2 ZINC000843494131 702893081 /nfs/dbraw/zinc/89/30/81/702893081.db2.gz HKLVUGMDZQVMOZ-UHFFFAOYSA-N 0 3 305.334 1.171 20 5 DDBDHN NC(=O)c1ccc(CN2CC[C@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000879561543 706718362 /nfs/dbraw/zinc/71/83/62/706718362.db2.gz QFXBGHGIWHEHGK-STQMWFEESA-N 0 3 321.402 1.879 20 5 DDBDHN O=C([N-]C[C@H]1CCC[NH2+]1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764599 704621913 /nfs/dbraw/zinc/62/19/13/704621913.db2.gz UGKLPVUXPIVXEE-SECBINFHSA-N 0 3 315.276 1.435 20 5 DDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cccc([N+](=O)[O-])c1N ZINC000874836914 705193860 /nfs/dbraw/zinc/19/38/60/705193860.db2.gz IDKKXSPBGAGTDT-NEPJUHHUSA-N 0 3 304.350 1.486 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@@H](n3ccnn3)C2)cc1 ZINC000823468831 705249608 /nfs/dbraw/zinc/24/96/08/705249608.db2.gz LIBKLMXKOFIXLQ-CABCVRRESA-N 0 3 317.349 1.557 20 5 DDBDHN CC(COC(=O)CCC1CN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000860776629 705280204 /nfs/dbraw/zinc/28/02/04/705280204.db2.gz FUKBCMFSQQFVCO-SNVBAGLBSA-N 0 3 316.354 1.842 20 5 DDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1-c1cnccn1 ZINC000860777188 705280234 /nfs/dbraw/zinc/28/02/34/705280234.db2.gz MBZGIQSCTLVGTR-JTQLQIEISA-N 0 3 304.306 1.706 20 5 DDBDHN C[C@@H](CN1CCCCC1)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824969647 705569458 /nfs/dbraw/zinc/56/94/58/705569458.db2.gz HQAMCANBYBNADM-WFASDCNBSA-N 0 3 321.377 1.619 20 5 DDBDHN CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000835457662 707255990 /nfs/dbraw/zinc/25/59/90/707255990.db2.gz YESWYQFXGUABAW-MNOVXSKESA-N 0 3 302.371 1.772 20 5 DDBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCCN2CCCO)c([N+](=O)[O-])c1 ZINC000828423070 706176732 /nfs/dbraw/zinc/17/67/32/706176732.db2.gz TVHRMFKWRQLFDY-LBPRGKRZSA-N 0 3 324.337 1.762 20 5 DDBDHN CC(COC(=O)Cc1ccccc1O[C@H]1CCOC1)[N+](=O)[O-] ZINC000835453801 707255212 /nfs/dbraw/zinc/25/52/12/707255212.db2.gz GPLWEZIAVBEZGY-YPMHNXCESA-N 0 3 309.318 1.605 20 5 DDBDHN COc1cc(N2CCN(C)CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000897097191 708229350 /nfs/dbraw/zinc/22/93/50/708229350.db2.gz KQINLHADHSJTLH-UHFFFAOYSA-N 0 3 308.382 1.287 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCCN3CCO)c1 ZINC000897218130 708256565 /nfs/dbraw/zinc/25/65/65/708256565.db2.gz BCLCBHKBTOAKAM-KGLIPLIRSA-N 0 3 321.377 1.639 20 5 DDBDHN COc1cc(CNC2CC(CCO)C2)c([N+](=O)[O-])cc1OC ZINC000898008775 708518042 /nfs/dbraw/zinc/51/80/42/708518042.db2.gz ZTSSJCFCUBKGGL-UHFFFAOYSA-N 0 3 310.350 1.863 20 5 DDBDHN COC(=O)N1CCC[C@@H]([C@@H](C)NCc2cccnc2[N+](=O)[O-])C1 ZINC000886142923 708704457 /nfs/dbraw/zinc/70/44/57/708704457.db2.gz OINSHCLYRQRISB-DGCLKSJQSA-N 0 3 322.365 1.946 20 5 DDBDHN NC(=O)c1ccc(CN2CC[C@@H]([C@H]3CCCO3)C2)c([N+](=O)[O-])c1 ZINC000886827924 708855168 /nfs/dbraw/zinc/85/51/68/708855168.db2.gz UFWDTHKRSMIRMS-UKRRQHHQSA-N 0 3 319.361 1.695 20 5 DDBDHN CC(C)c1ccc(C(=O)NCCN(C)CCO)cc1[N+](=O)[O-] ZINC000899737171 709184062 /nfs/dbraw/zinc/18/40/62/709184062.db2.gz BHTQKFYBIOJJNV-UHFFFAOYSA-N 0 3 309.366 1.372 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCN1C ZINC000928439691 713196302 /nfs/dbraw/zinc/19/63/02/713196302.db2.gz JVQKRKDKVNHQOG-KOLCDFICSA-N 0 3 302.334 1.899 20 5 DDBDHN COc1cc([C@H](C)NC[C@H](O)[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000903206245 711063737 /nfs/dbraw/zinc/06/37/37/711063737.db2.gz PVTFKWKFYWEOQV-NZVBXONLSA-N 0 3 310.350 1.794 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCN1CCCOCC1 ZINC000903227685 711073052 /nfs/dbraw/zinc/07/30/52/711073052.db2.gz MPMYLPUJYRPYOD-ZDUSSCGKSA-N 0 3 323.393 1.976 20 5 DDBDHN CN1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1C(C)(C)C ZINC000895100668 711411371 /nfs/dbraw/zinc/41/13/71/711411371.db2.gz DTFOISQZPBLHFQ-CQSZACIVSA-N 0 3 320.393 1.860 20 5 DDBDHN CNC(=O)C1(NC/C=C/c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000895883373 711636937 /nfs/dbraw/zinc/63/69/37/711636937.db2.gz DKPWAHGYOBESRC-GQCTYLIASA-N 0 3 319.361 1.493 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2cnn(CCF)c2)c1 ZINC000905657496 712108812 /nfs/dbraw/zinc/10/88/12/712108812.db2.gz UZAGWNBXPOMVAH-CQSZACIVSA-N 0 3 308.313 1.584 20 5 DDBDHN C[C@@H](NC[C@H](O)COC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000932180617 714280184 /nfs/dbraw/zinc/28/01/84/714280184.db2.gz ASLNBIVQSVQECH-UHOFOFEASA-N 0 3 324.377 1.802 20 5 DDBDHN CC(C)c1cnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001020140091 736998572 /nfs/dbraw/zinc/99/85/72/736998572.db2.gz YGMDYIWWBGHMHK-DDHJBXDOSA-N 0 3 322.365 1.200 20 5 DDBDHN CCn1ccnc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126412434 739942993 /nfs/dbraw/zinc/94/29/93/739942993.db2.gz FCHQFHDLIFZWJH-UHFFFAOYSA-N 0 3 317.349 1.331 20 5 DDBDHN O=C(CC1(O)CCC1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126842232 742358017 /nfs/dbraw/zinc/35/80/17/742358017.db2.gz MPDSTMZADMXLDH-UHFFFAOYSA-N 0 3 307.350 1.106 20 5 DDBDHN O=C(CCOCC1CC1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001127072043 743701774 /nfs/dbraw/zinc/70/17/74/743701774.db2.gz ACJQSSDOSSDTNM-UHFFFAOYSA-N 0 3 321.377 1.617 20 5 DDBDHN CC(=O)N1CCC[C@H](CNc2cc3c(cc2[N+](=O)[O-])CNC3)C1 ZINC001168779009 761754735 /nfs/dbraw/zinc/75/47/35/761754735.db2.gz FZWYNENUZVEWRH-GFCCVEGCSA-N 0 3 318.377 1.868 20 5 DDBDHN COc1ccc(C[C@@H](C)NCC(=O)NC2CC2)c([N+](=O)[O-])c1 ZINC001170300101 766228157 /nfs/dbraw/zinc/22/81/57/766228157.db2.gz WXZYAUBGZQAICR-SNVBAGLBSA-N 0 3 307.350 1.403 20 5 DDBDHN COc1ccc(C[C@H](C)N2CCN3CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170355644 766261908 /nfs/dbraw/zinc/26/19/08/766261908.db2.gz NNVKFSAQQBSHDU-JSGCOSHPSA-N 0 3 305.378 1.924 20 5 DDBDHN Cc1cc(Cl)nc(NC(=N)N2CCN(C)CC2)c1[N+](=O)[O-] ZINC001157915114 767283767 /nfs/dbraw/zinc/28/37/67/767283767.db2.gz PVJYPIRAGRONOP-UHFFFAOYSA-N 0 3 312.761 1.546 20 5 DDBDHN Cc1conc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001146834023 772960193 /nfs/dbraw/zinc/96/01/93/772960193.db2.gz NJFYBLHVNBNFGB-UHFFFAOYSA-N 0 3 304.306 1.411 20 5 DDBDHN CCN(CC)CC(=O)NCCNc1cc(C)ccc1[N+](=O)[O-] ZINC001093647056 774947516 /nfs/dbraw/zinc/94/75/16/774947516.db2.gz XYLPTXSFRDRDMZ-UHFFFAOYSA-N 0 3 308.382 1.773 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCC(OC)OC)c1F ZINC001173188160 777036236 /nfs/dbraw/zinc/03/62/36/777036236.db2.gz IQUYXTMFLFSPBE-VIFPVBQESA-N 0 3 316.329 1.882 20 5 DDBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ncccn1 ZINC001267444258 838057510 /nfs/dbraw/zinc/05/75/10/838057510.db2.gz WBMPUCLLKWAWER-UHFFFAOYSA-N 0 3 315.333 1.247 20 5 DDBDHN Cc1nc[nH]c1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001153817255 864129272 /nfs/dbraw/zinc/12/92/72/864129272.db2.gz OIWXGDSGMOXWOG-UHFFFAOYSA-N 0 3 303.322 1.146 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC001154136609 864440925 /nfs/dbraw/zinc/44/09/25/864440925.db2.gz JBZJZYKBYYCIOM-UHFFFAOYSA-N 0 3 314.345 1.900 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC001324580464 867371133 /nfs/dbraw/zinc/37/11/33/867371133.db2.gz MLGVWEUIYPRSNJ-YGRLFVJLSA-N 0 3 304.350 1.413 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(c2cncn2C)CC1 ZINC001308168710 871475082 /nfs/dbraw/zinc/47/50/82/871475082.db2.gz UAXSHXPDUHCIHJ-UHFFFAOYSA-N 0 3 318.381 1.713 20 5 DDBDHN Cc1cc(NC(=O)NC[C@]2(O)CCN(C)C2)cc([N+](=O)[O-])c1 ZINC001311323313 871694242 /nfs/dbraw/zinc/69/42/42/871694242.db2.gz UGWMFVKADKRFDH-CQSZACIVSA-N 0 3 308.338 1.091 20 5 DDBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001342628967 872304654 /nfs/dbraw/zinc/30/46/54/872304654.db2.gz JSZGOFKLQHOTDD-AGIUHOORSA-N 0 3 321.377 1.961 20 5 DDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])cnc1Br ZINC001343648924 872701934 /nfs/dbraw/zinc/70/19/34/872701934.db2.gz KVERPEDHNBINFZ-ZETCQYMHSA-N 0 3 303.112 1.975 20 5 DDBDHN CCOC(=O)c1cc(CNCCc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001346043762 873598694 /nfs/dbraw/zinc/59/86/94/873598694.db2.gz IMACMYKDMRAYJP-UHFFFAOYSA-N 0 3 318.333 1.827 20 5 DDBDHN CO[C@@H]1CCN(CCOCc2ncc(C)c([N+](=O)[O-])c2C)C1 ZINC001224185865 881260642 /nfs/dbraw/zinc/26/06/42/881260642.db2.gz RNIBSKPMUSXDFS-CYBMUJFWSA-N 0 3 309.366 1.844 20 5 DDBDHN C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227694219 883135858 /nfs/dbraw/zinc/13/58/58/883135858.db2.gz FGJIUFWFUTYLPH-WDAIWFPHSA-N 0 3 317.349 1.975 20 5 DDBDHN C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227694219 883135866 /nfs/dbraw/zinc/13/58/66/883135866.db2.gz FGJIUFWFUTYLPH-WDAIWFPHSA-N 0 3 317.349 1.975 20 5 DDBDHN CN1[C@@H]2C[C@H](Oc3cc4[nH]ncc4cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001230594488 884631251 /nfs/dbraw/zinc/63/12/51/884631251.db2.gz FZYSZPLWTIPDON-BHYNMZESSA-N 0 3 316.317 1.654 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC2(CNC(=O)N2)CC1 ZINC001254563674 896502052 /nfs/dbraw/zinc/50/20/52/896502052.db2.gz BAPHPGYEQNBVMQ-GFCCVEGCSA-N 0 3 318.377 1.673 20 5 DDBDHN CSCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001262557786 900241987 /nfs/dbraw/zinc/24/19/87/900241987.db2.gz MOOJSQXSZJKQLA-UHFFFAOYSA-N 0 3 304.393 1.321 20 5 DDBDHN CCOCC(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001265465020 902042730 /nfs/dbraw/zinc/04/27/30/902042730.db2.gz WYHVOVXDMNAJIY-JOCQHMNTSA-N 0 3 307.350 1.368 20 5 DDBDHN O=C(N[C@@H]1CNCCC1(F)F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000449668385 230630126 /nfs/dbraw/zinc/63/01/26/230630126.db2.gz SUPDUOGKVWPPLT-SNVBAGLBSA-N 0 3 319.695 1.975 20 5 DDBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(O)c1 ZINC000181495904 199305756 /nfs/dbraw/zinc/30/57/56/199305756.db2.gz PWDYKUJHGDMSIO-LLVKDONJSA-N 0 3 303.318 1.813 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])[C@H]2C1 ZINC000272768226 210172570 /nfs/dbraw/zinc/17/25/70/210172570.db2.gz WYWNPNRHLXLBQG-GWCFXTLKSA-N 0 3 305.338 1.548 20 5 DDBDHN COc1cc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272655473 282318081 /nfs/dbraw/zinc/31/80/81/282318081.db2.gz QOENHQLPGOEZRN-FZMZJTMJSA-N 0 3 319.361 1.770 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000181706847 199341659 /nfs/dbraw/zinc/34/16/59/199341659.db2.gz ZXVGBDRWWXNVCC-OLZOCXBDSA-N 0 3 310.350 1.445 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC1CCN(C2CC2)CC1 ZINC000277549812 213609885 /nfs/dbraw/zinc/60/98/85/213609885.db2.gz IQPPIMJAZXDQLN-UHFFFAOYSA-N 0 3 319.361 1.960 20 5 DDBDHN CCOC(=O)c1cc(C(=O)N[C@@H](C)CN(C)C)cc([N+](=O)[O-])c1 ZINC000286965378 219247365 /nfs/dbraw/zinc/24/73/65/219247365.db2.gz LNIVXTCQCXZFKE-JTQLQIEISA-N 0 3 323.349 1.451 20 5 DDBDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000032662934 352283275 /nfs/dbraw/zinc/28/32/75/352283275.db2.gz YUODANDHBYMBSQ-NSHDSACASA-N 0 3 306.366 1.781 20 5 DDBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000590590219 355122385 /nfs/dbraw/zinc/12/23/85/355122385.db2.gz WHCUEBOGGLBGOD-GHMZBOCLSA-N 0 3 313.379 1.308 20 5 DDBDHN COc1cccc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590447422 355099453 /nfs/dbraw/zinc/09/94/53/355099453.db2.gz XDCSNEKQAIPBIM-PWSUYJOCSA-N 0 3 305.334 1.380 20 5 DDBDHN CC1CCN(C[C@H](O)CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591146262 355254429 /nfs/dbraw/zinc/25/44/29/355254429.db2.gz REXRQGDRBPLKMQ-GFCCVEGCSA-N 0 3 312.345 1.634 20 5 DDBDHN CN(CCN1CCCC1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593452240 355888734 /nfs/dbraw/zinc/88/87/34/355888734.db2.gz VDSONEHRTVIXJO-UHFFFAOYSA-N 0 3 309.341 1.831 20 5 DDBDHN CS(=O)(=O)CC1(CCNCc2ccccc2[N+](=O)[O-])CC1 ZINC000594949651 356363004 /nfs/dbraw/zinc/36/30/04/356363004.db2.gz GHVADKVKWSQBPN-UHFFFAOYSA-N 0 3 312.391 1.899 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@]1(OCCO)CCOC1 ZINC000595072220 356377832 /nfs/dbraw/zinc/37/78/32/356377832.db2.gz QSSVQFHMZUQXEW-HOCLYGCPSA-N 0 3 322.361 1.340 20 5 DDBDHN Cc1c([C@@H](C)NC[C@]2(OCCO)CCOC2)cccc1[N+](=O)[O-] ZINC000595077902 356379115 /nfs/dbraw/zinc/37/91/15/356379115.db2.gz KNHASIAKATZHRR-CZUORRHYSA-N 0 3 324.377 1.722 20 5 DDBDHN CCOc1ccc([C@H](C)NC[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000595089307 356381324 /nfs/dbraw/zinc/38/13/24/356381324.db2.gz HFPLUGGPRIUPHT-JQWIXIFHSA-N 0 3 307.350 1.923 20 5 DDBDHN CC(C)[C@H]([NH3+])CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595120002 356386103 /nfs/dbraw/zinc/38/61/03/356386103.db2.gz FORSFWJJZHFUOO-SNVBAGLBSA-N 0 3 301.368 1.247 20 5 DDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000184337714 199704037 /nfs/dbraw/zinc/70/40/37/199704037.db2.gz XUVLXWWKATVMPM-CYBMUJFWSA-N 0 3 320.393 1.351 20 5 DDBDHN C[C@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])n2C)CCCO1 ZINC000347094713 283175958 /nfs/dbraw/zinc/17/59/58/283175958.db2.gz DZNWNCIHDJSWHG-LBPRGKRZSA-N 0 3 324.381 1.164 20 5 DDBDHN COc1cc(CN(CCOCCO)C2CCC2)ccc1[N+](=O)[O-] ZINC000595595740 356568427 /nfs/dbraw/zinc/56/84/27/356568427.db2.gz LOIUJBAETUJHCB-UHFFFAOYSA-N 0 3 324.377 1.967 20 5 DDBDHN COc1ccc(CN[C@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000237159384 202170661 /nfs/dbraw/zinc/17/06/61/202170661.db2.gz WPWBPHOBWVVRBX-GFCCVEGCSA-N 0 3 309.366 1.414 20 5 DDBDHN CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000596420132 356873643 /nfs/dbraw/zinc/87/36/43/356873643.db2.gz XEPQBVFKNHBYKC-AWEZNQCLSA-N 0 3 320.393 1.873 20 5 DDBDHN CCN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@H]1CCN(CC)C1 ZINC000596817665 356985050 /nfs/dbraw/zinc/98/50/50/356985050.db2.gz PUYAZPDOGKZDOP-NSHDSACASA-N 0 3 307.354 1.360 20 5 DDBDHN COC(=O)COc1ccc(CNC2([C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000597234715 357105231 /nfs/dbraw/zinc/10/52/31/357105231.db2.gz PDDCDTVELQKDBD-SNVBAGLBSA-N 0 3 324.333 1.150 20 5 DDBDHN CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@@H]1CCN(C)C1 ZINC000597945058 357393521 /nfs/dbraw/zinc/39/35/21/357393521.db2.gz HHVSOADOLBTNJP-GFCCVEGCSA-N 0 3 309.370 1.042 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000598342276 357545694 /nfs/dbraw/zinc/54/56/94/357545694.db2.gz LMGHEJPVDZDDOA-LLVKDONJSA-N 0 3 307.350 1.818 20 5 DDBDHN COC(=O)c1ccnc(N(C)CCN(C)C2CC2)c1[N+](=O)[O-] ZINC000598617200 357655760 /nfs/dbraw/zinc/65/57/60/357655760.db2.gz ICFVZEHWQAKGRN-UHFFFAOYSA-N 0 3 308.338 1.307 20 5 DDBDHN Cc1cc(N2CC(CN3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000599109948 357818324 /nfs/dbraw/zinc/81/83/24/357818324.db2.gz ZAEXSPGMETYRNX-UHFFFAOYSA-N 0 3 304.394 1.587 20 5 DDBDHN Cc1cc(NC[C@H]2COCCN2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000599159402 357832345 /nfs/dbraw/zinc/83/23/45/357832345.db2.gz BKNZIBLRBVFVCR-ZDUSSCGKSA-N 0 3 316.361 1.616 20 5 DDBDHN CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)C1CCN(C)CC1 ZINC000599985224 358096704 /nfs/dbraw/zinc/09/67/04/358096704.db2.gz AESTZOWJUYQKIL-UHFFFAOYSA-N 0 3 306.366 1.855 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000600473146 358234824 /nfs/dbraw/zinc/23/48/24/358234824.db2.gz RXWLVDIBCCQWHH-LBPRGKRZSA-N 0 3 306.366 1.680 20 5 DDBDHN Cn1nc2c(c1CNCCn1cc([N+](=O)[O-])cn1)CCCC2 ZINC000601111638 358406434 /nfs/dbraw/zinc/40/64/34/358406434.db2.gz VKDPSNNVRLFJFZ-UHFFFAOYSA-N 0 3 304.354 1.193 20 5 DDBDHN CCN[C@H](C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000602476968 359003590 /nfs/dbraw/zinc/00/35/90/359003590.db2.gz YNELJUABESACAR-GFCCVEGCSA-N 0 3 306.366 1.241 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H]1Cc2cccc(O)c2C1 ZINC000602824230 359218680 /nfs/dbraw/zinc/21/86/80/359218680.db2.gz YLEVJCLOUFIMTH-GFCCVEGCSA-N 0 3 302.334 1.562 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000602829156 359221369 /nfs/dbraw/zinc/22/13/69/359221369.db2.gz QCJWTOODIWIUTP-CYBMUJFWSA-N 0 3 321.381 1.044 20 5 DDBDHN CO[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)[C@](C)(CO)C1 ZINC000602964440 359327844 /nfs/dbraw/zinc/32/78/44/359327844.db2.gz PNLVSYXNQSMROH-CVEARBPZSA-N 0 3 324.377 1.835 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC1(N(C)C)CCC1 ZINC000188075719 200189435 /nfs/dbraw/zinc/18/94/35/200189435.db2.gz LDIUSBXUJYGZES-UHFFFAOYSA-N 0 3 309.370 1.042 20 5 DDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C)C(=O)N(C)C ZINC000189005121 200334531 /nfs/dbraw/zinc/33/45/31/200334531.db2.gz MXMUNAPCPSCMLY-MNOVXSKESA-N 0 3 322.365 1.378 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC([C@@H]2CCCO2)CC1 ZINC000189113310 200351234 /nfs/dbraw/zinc/35/12/34/200351234.db2.gz BUAJUJSNMSBYAL-HNNXBMFYSA-N 0 3 321.377 1.648 20 5 DDBDHN COc1ccc(CC(=O)NCCN2CCCC2)cc1[N+](=O)[O-] ZINC000609045839 360258132 /nfs/dbraw/zinc/25/81/32/360258132.db2.gz RFAUOOZBUUTVFN-UHFFFAOYSA-N 0 3 307.350 1.358 20 5 DDBDHN CN1CCC[C@@H](N2CCN(Cc3csc([N+](=O)[O-])c3)CC2)C1 ZINC000609672353 360342893 /nfs/dbraw/zinc/34/28/93/360342893.db2.gz BFBVSPAOFBYEFH-CQSZACIVSA-N 0 3 324.450 1.868 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCc3c2cccc3F)c1 ZINC000610336030 360415971 /nfs/dbraw/zinc/41/59/71/360415971.db2.gz FKYKRWUVFMQUSO-XHDPSFHLSA-N 0 3 320.324 1.568 20 5 DDBDHN COC[C@@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610605353 360480884 /nfs/dbraw/zinc/48/08/84/360480884.db2.gz ZMHUPJLJGJBCGV-KBPBESRZSA-N 0 3 310.350 1.445 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000611234727 360671165 /nfs/dbraw/zinc/67/11/65/360671165.db2.gz NZOKIHOYOYQBBC-NSHDSACASA-N 0 3 307.354 1.029 20 5 DDBDHN CC[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000281291872 216215572 /nfs/dbraw/zinc/21/55/72/216215572.db2.gz GXTOBPPXXVPZPQ-KBPBESRZSA-N 0 3 324.377 1.835 20 5 DDBDHN Cc1ccc([C@@H](C)NC(=O)[C@@H](N)C2CCOCC2)cc1[N+](=O)[O-] ZINC000261884878 203143623 /nfs/dbraw/zinc/14/36/23/203143623.db2.gz UZGSTQGRRLGZJX-ABAIWWIYSA-N 0 3 321.377 1.834 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cc(F)cc(F)c2)c1 ZINC000579460256 422773123 /nfs/dbraw/zinc/77/31/23/422773123.db2.gz NAKHRPMSLZQMAG-CYBMUJFWSA-N 0 3 312.276 1.220 20 5 DDBDHN C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N(C)C ZINC000264694966 204083172 /nfs/dbraw/zinc/08/31/72/204083172.db2.gz AWIOSWCOJININR-SECBINFHSA-N 0 3 318.333 1.529 20 5 DDBDHN Cc1ccc(CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000266480786 205377303 /nfs/dbraw/zinc/37/73/03/205377303.db2.gz SWXUSVXOTYHJJO-OAHLLOKOSA-N 0 3 304.350 1.593 20 5 DDBDHN Cc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000160229098 197394074 /nfs/dbraw/zinc/39/40/74/197394074.db2.gz CXIHHJCKSRCILD-CQSZACIVSA-N 0 3 321.377 1.480 20 5 DDBDHN Cc1c(CNC(=O)NC[C@](C)(O)CN(C)C)cccc1[N+](=O)[O-] ZINC000359530805 299470223 /nfs/dbraw/zinc/47/02/23/299470223.db2.gz JHLVAVGGIMXJFT-HNNXBMFYSA-N 0 3 324.381 1.015 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000121056778 248265758 /nfs/dbraw/zinc/26/57/58/248265758.db2.gz CYWCVXRBMAGIBZ-AAEUAGOBSA-N 0 3 323.397 1.288 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCO[C@H]2CCN(C)C[C@H]21 ZINC000284923291 218235859 /nfs/dbraw/zinc/23/58/59/218235859.db2.gz UDBBXQCDVTWMIZ-ZBFHGGJFSA-N 0 3 321.377 1.508 20 5 DDBDHN COc1cc(C(=O)NC[C@@H]2CCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000109992242 194303526 /nfs/dbraw/zinc/30/35/26/194303526.db2.gz YGICHSORFYNEOZ-JTQLQIEISA-N 0 3 323.349 1.294 20 5 DDBDHN O=C(N[C@H]1CCN(C2CC2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000340992612 251323016 /nfs/dbraw/zinc/32/30/16/251323016.db2.gz NIMCABNANJMBNF-VIFPVBQESA-N 0 3 315.333 1.438 20 5 DDBDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286510306 219028419 /nfs/dbraw/zinc/02/84/19/219028419.db2.gz MUPSXNNOVVJIHE-BBKQSLKASA-N 0 3 318.373 1.983 20 5 DDBDHN C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000154876538 197001120 /nfs/dbraw/zinc/00/11/20/197001120.db2.gz NZVJARWHISDWFN-LLVKDONJSA-N 0 3 317.349 1.568 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000414662653 533225838 /nfs/dbraw/zinc/22/58/38/533225838.db2.gz ZLWPSSNMCDJCBP-UWVGGRQHSA-N 0 3 308.338 1.818 20 5 DDBDHN COC(=O)CN(C)C(=O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451104053 533475166 /nfs/dbraw/zinc/47/51/66/533475166.db2.gz JLKZVYGWEMXLBY-NSHDSACASA-N 0 3 323.349 1.267 20 5 DDBDHN COCCNCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000568868892 304317581 /nfs/dbraw/zinc/31/75/81/304317581.db2.gz AKOMWFXOCLKYDF-UHFFFAOYSA-N 0 3 307.350 1.322 20 5 DDBDHN CC(COC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496764135 307360093 /nfs/dbraw/zinc/36/00/93/307360093.db2.gz QOKRRVQWJNXNIX-GHMZBOCLSA-N 0 3 316.354 1.984 20 5 DDBDHN CCN(CCNC(=O)CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000078454177 407028227 /nfs/dbraw/zinc/02/82/27/407028227.db2.gz QRLKNLUOXOMXAH-UHFFFAOYSA-N 0 3 306.366 1.607 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000065901252 407246402 /nfs/dbraw/zinc/24/64/02/407246402.db2.gz JCRTZMGEMLKNSG-LBPRGKRZSA-N 0 3 323.397 1.336 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCC(C)(C)N1CCCCC1 ZINC000066041619 407246975 /nfs/dbraw/zinc/24/69/75/407246975.db2.gz METDRTKXNKOCEP-UHFFFAOYSA-N 0 3 323.397 1.480 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000067298486 407270315 /nfs/dbraw/zinc/27/03/15/407270315.db2.gz QHBPDEFNJHUYKR-LLVKDONJSA-N 0 3 307.350 1.818 20 5 DDBDHN COc1ccc(C(=O)N(C)CCN2CCCC2)cc1[N+](=O)[O-] ZINC000103120027 407331758 /nfs/dbraw/zinc/33/17/58/407331758.db2.gz GAWCJMGWSRVOIC-UHFFFAOYSA-N 0 3 307.350 1.771 20 5 DDBDHN C[C@@H]1CCCCN1CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124627373 407364453 /nfs/dbraw/zinc/36/44/53/407364453.db2.gz SKHYEUGYGRHBQM-LLVKDONJSA-N 0 3 307.354 1.986 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H]1CCOC1 ZINC000106883018 407365180 /nfs/dbraw/zinc/36/51/80/407365180.db2.gz JIUKTYOCSZXPSV-GFCCVEGCSA-N 0 3 323.349 1.653 20 5 DDBDHN COC(=O)C(C)(C)CN[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000151800420 407501886 /nfs/dbraw/zinc/50/18/86/407501886.db2.gz QGISABLISUDQQX-JTQLQIEISA-N 0 3 323.349 1.711 20 5 DDBDHN C[C@@H](NC(=O)CNC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000151460870 407440921 /nfs/dbraw/zinc/44/09/21/407440921.db2.gz ZGGMPMNXDCDSEH-RISCZKNCSA-N 0 3 307.350 1.541 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266693382 407602152 /nfs/dbraw/zinc/60/21/52/407602152.db2.gz FIZNFKSRMGEBJX-CYBMUJFWSA-N 0 3 306.366 1.531 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCCC2)C1 ZINC000171450747 407689251 /nfs/dbraw/zinc/68/92/51/407689251.db2.gz HZXDZRJKTJKLAE-OAHLLOKOSA-N 0 3 303.362 1.834 20 5 DDBDHN CCN1CCC(N(C)C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000133361671 407834046 /nfs/dbraw/zinc/83/40/46/407834046.db2.gz ZTRVRWNJRHWQPC-UHFFFAOYSA-N 0 3 323.397 1.433 20 5 DDBDHN O=C(C[C@@H]1CSCCN1)NCCNc1ccccc1[N+](=O)[O-] ZINC000238053939 407877850 /nfs/dbraw/zinc/87/78/50/407877850.db2.gz ZTXZDEPBQPXIJI-LLVKDONJSA-N 0 3 324.406 1.218 20 5 DDBDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118117447 407896396 /nfs/dbraw/zinc/89/63/96/407896396.db2.gz AVPVIQNYVQZLFN-LLVKDONJSA-N 0 3 322.365 1.380 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)C[NH3+])c1C ZINC000262782341 407927994 /nfs/dbraw/zinc/92/79/94/407927994.db2.gz ZSQLQHHWFAVUQH-UHFFFAOYSA-N 0 3 301.368 1.227 20 5 DDBDHN COCCO[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000189665671 408074388 /nfs/dbraw/zinc/07/43/88/408074388.db2.gz WVXCYPYYHCCJSO-HNNXBMFYSA-N 0 3 310.350 1.711 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN[C@@H](CO)c2ccc(Cl)cc2)n1 ZINC000273144688 408080314 /nfs/dbraw/zinc/08/03/14/408080314.db2.gz VKJHZYPSIFYCBC-LBPRGKRZSA-N 0 3 310.741 1.768 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](Nc3ccccc3)C2)n1 ZINC000176226029 408315404 /nfs/dbraw/zinc/31/54/04/408315404.db2.gz BFZBMHZKZDSXEB-CQSZACIVSA-N 0 3 301.350 1.978 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000246557404 408290478 /nfs/dbraw/zinc/29/04/78/408290478.db2.gz WLBDONHHXDRCQM-KOLCDFICSA-N 0 3 309.370 1.339 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)NCCN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000269412476 408299447 /nfs/dbraw/zinc/29/94/47/408299447.db2.gz VSBDKUSWYQDCLU-NSHDSACASA-N 0 3 323.397 1.903 20 5 DDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000190671748 408301573 /nfs/dbraw/zinc/30/15/73/408301573.db2.gz DKIRRWAFLCNZKW-ZDUSSCGKSA-N 0 3 318.377 1.877 20 5 DDBDHN CCN1CCN(CCNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269675153 408386976 /nfs/dbraw/zinc/38/69/76/408386976.db2.gz YOASGUZEGKZMIP-UHFFFAOYSA-N 0 3 314.336 1.922 20 5 DDBDHN CN(C)CCn1ccc(NC(=O)Nc2ccncc2[N+](=O)[O-])n1 ZINC000191590930 408452477 /nfs/dbraw/zinc/45/24/77/408452477.db2.gz JZBFEQJOVNQGGC-UHFFFAOYSA-N 0 3 319.325 1.392 20 5 DDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176550743 408392915 /nfs/dbraw/zinc/39/29/15/408392915.db2.gz RONGWVVISJGCRO-NEPJUHHUSA-N 0 3 318.377 1.876 20 5 DDBDHN COCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000264189685 408396173 /nfs/dbraw/zinc/39/61/73/408396173.db2.gz OIVXSGSKQWJPFG-UHFFFAOYSA-N 0 3 313.329 1.384 20 5 DDBDHN CCN1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176612712 408404359 /nfs/dbraw/zinc/40/43/59/408404359.db2.gz AKEUCSWDNHJMHS-LLVKDONJSA-N 0 3 306.366 1.781 20 5 DDBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H](O)CN1CCCCC1 ZINC000160577861 408500509 /nfs/dbraw/zinc/50/05/09/408500509.db2.gz JGELIFMJUDPDGO-AWEZNQCLSA-N 0 3 321.377 1.100 20 5 DDBDHN CCc1n[nH]c(C(=O)N(C)C[C@@H]2CCCN2CC)c1[N+](=O)[O-] ZINC000177422163 408609886 /nfs/dbraw/zinc/60/98/86/408609886.db2.gz KAIPTDHCNXJSHP-JTQLQIEISA-N 0 3 309.370 1.437 20 5 DDBDHN Cc1ccc(NCCCNC(=O)[C@@H](N)C(C)C)c([N+](=O)[O-])c1 ZINC000161543266 408616026 /nfs/dbraw/zinc/61/60/26/408616026.db2.gz CKLCITALLPJZQJ-AWEZNQCLSA-N 0 3 308.382 1.805 20 5 DDBDHN CO[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000251933780 408790977 /nfs/dbraw/zinc/79/09/77/408790977.db2.gz UBUONCFZSBKOJG-JGGQBBKZSA-N 0 3 324.377 1.691 20 5 DDBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000249764535 408763823 /nfs/dbraw/zinc/76/38/23/408763823.db2.gz ZRXVHYRLFMPWOJ-RYUDHWBXSA-N 0 3 309.370 1.028 20 5 DDBDHN Cc1cc(C(=O)N(C)C2CCN(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000178144626 408778879 /nfs/dbraw/zinc/77/88/79/408778879.db2.gz ZAIBOUYZKFMQFU-UHFFFAOYSA-N 0 3 306.366 1.652 20 5 DDBDHN Cc1noc(C)c1C(C)(C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000285717098 408849715 /nfs/dbraw/zinc/84/97/15/408849715.db2.gz PVVPZSYUBIDZID-GFCCVEGCSA-N 0 3 323.353 1.282 20 5 DDBDHN CCc1nc(C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)n[nH]1 ZINC000190706441 163155408 /nfs/dbraw/zinc/15/54/08/163155408.db2.gz HRWTUGFNIMOYQE-UHFFFAOYSA-N 0 3 319.369 1.351 20 5 DDBDHN CCc1n[nH]c(C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000190706441 163155411 /nfs/dbraw/zinc/15/54/11/163155411.db2.gz HRWTUGFNIMOYQE-UHFFFAOYSA-N 0 3 319.369 1.351 20 5 DDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000277413192 408935706 /nfs/dbraw/zinc/93/57/06/408935706.db2.gz CIPCRYDABPEHCH-CYBMUJFWSA-N 0 3 318.377 1.924 20 5 DDBDHN C[C@H]1COCC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000277522706 408957389 /nfs/dbraw/zinc/95/73/89/408957389.db2.gz QYRVZTNAILIVFE-SMDDNHRTSA-N 0 3 319.361 1.499 20 5 DDBDHN O=[N+]([O-])c1ccc2[nH]c(NC[C@H](O)CN3CCCCC3)nc2c1 ZINC000278400360 409080375 /nfs/dbraw/zinc/08/03/75/409080375.db2.gz GOXFBHWXLASSRX-LBPRGKRZSA-N 0 3 319.365 1.730 20 5 DDBDHN CCN1CCN(C[C@H](C)CNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000283449731 409158472 /nfs/dbraw/zinc/15/84/72/409158472.db2.gz DOUPHGLMWKYNHR-CYBMUJFWSA-N 0 3 321.425 1.863 20 5 DDBDHN CN(C)C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284188739 409292728 /nfs/dbraw/zinc/29/27/28/409292728.db2.gz YSSYKDXPXGDRTK-SECBINFHSA-N 0 3 310.329 1.482 20 5 DDBDHN NC(=O)c1ccnc(N2CC[C@@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000290531352 409433842 /nfs/dbraw/zinc/43/38/42/409433842.db2.gz HKLUTBPDKNNPOC-LLVKDONJSA-N 0 3 319.365 1.153 20 5 DDBDHN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCN2CCC[C@@H]2C1 ZINC000408024752 164201940 /nfs/dbraw/zinc/20/19/40/164201940.db2.gz GTRPCSFAZFIBLZ-LLVKDONJSA-N 0 3 314.345 1.996 20 5 DDBDHN CN(C)CCN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356729518 409555346 /nfs/dbraw/zinc/55/53/46/409555346.db2.gz HEHFYZMKDZUVFK-UHFFFAOYSA-N 0 3 321.337 1.125 20 5 DDBDHN CC[C@@H](CNS(C)(=O)=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296506316 409590424 /nfs/dbraw/zinc/59/04/24/409590424.db2.gz PHPRZTZLQVRMNA-JQWIXIFHSA-N 0 3 315.395 1.573 20 5 DDBDHN CN(Cc1cccc(F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304386548 409615909 /nfs/dbraw/zinc/61/59/09/409615909.db2.gz ZRMLRFUGCALLNA-AWEZNQCLSA-N 0 3 308.313 1.423 20 5 DDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000346123378 409798030 /nfs/dbraw/zinc/79/80/30/409798030.db2.gz AULNMSJGZPKEHD-MNOVXSKESA-N 0 3 307.354 1.027 20 5 DDBDHN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 ZINC000298853773 410422530 /nfs/dbraw/zinc/42/25/30/410422530.db2.gz NHMQVEUCIVGFKI-CYBMUJFWSA-N 0 3 302.334 1.956 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCN1CCCCC1 ZINC000301141934 410664007 /nfs/dbraw/zinc/66/40/07/410664007.db2.gz CIIHQPCBQVIDFN-UHFFFAOYSA-N 0 3 306.366 1.852 20 5 DDBDHN CCN1CCN([C@H](C)CNc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000301242993 410685568 /nfs/dbraw/zinc/68/55/68/410685568.db2.gz AFYOPLKIJIRICX-LLVKDONJSA-N 0 3 310.402 1.075 20 5 DDBDHN CCO[C@H]1COCC[C@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353128939 410801753 /nfs/dbraw/zinc/80/17/53/410801753.db2.gz LZJUUXQXAOOKLS-DOMZBBRYSA-N 0 3 310.350 1.887 20 5 DDBDHN CN(C)CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])C1CCCC1 ZINC000330665982 410861940 /nfs/dbraw/zinc/86/19/40/410861940.db2.gz WXODIEZVGRKYGX-UHFFFAOYSA-N 0 3 309.370 1.275 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)n1 ZINC000331218403 411021891 /nfs/dbraw/zinc/02/18/91/411021891.db2.gz XCCZWLIQYDCFCA-NSHDSACASA-N 0 3 323.397 1.614 20 5 DDBDHN CN(C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356459828 411041370 /nfs/dbraw/zinc/04/13/70/411041370.db2.gz QYAOLJPQCIDCNQ-UHFFFAOYSA-N 0 3 317.349 1.320 20 5 DDBDHN CNc1nccc(C(=O)N[C@@H](C)C2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000516313076 416720983 /nfs/dbraw/zinc/72/09/83/416720983.db2.gz JLFPRAAGGFUALY-JTQLQIEISA-N 0 3 319.365 1.412 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(C)[C@H](C)C1 ZINC000361075664 418578617 /nfs/dbraw/zinc/57/86/17/418578617.db2.gz CQBZEACTWVTGIC-GHMZBOCLSA-N 0 3 306.366 1.849 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000375037020 418593461 /nfs/dbraw/zinc/59/34/61/418593461.db2.gz HXURXPBZETUEKB-SMDDNHRTSA-N 0 3 318.377 1.652 20 5 DDBDHN CC1(C)[C@H](O)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361403198 418644590 /nfs/dbraw/zinc/64/45/90/418644590.db2.gz NFYCZFSURSATDG-GXTWGEPZSA-N 0 3 310.350 1.180 20 5 DDBDHN C[C@H](CO)N1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000375513092 418652292 /nfs/dbraw/zinc/65/22/92/418652292.db2.gz UGHVPMAEECOWKG-GFCCVEGCSA-N 0 3 322.365 1.515 20 5 DDBDHN O=C1CCCN1CC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000371843695 418821101 /nfs/dbraw/zinc/82/11/01/418821101.db2.gz BDJSJKRVJZPQLP-UHFFFAOYSA-N 0 3 321.381 1.126 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCCCN1CCN(C)CC1 ZINC000298147173 228381956 /nfs/dbraw/zinc/38/19/56/228381956.db2.gz GIAKKOMBAGBLHC-UHFFFAOYSA-N 0 3 320.393 1.271 20 5 DDBDHN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCN1C ZINC000421011132 419446208 /nfs/dbraw/zinc/44/62/08/419446208.db2.gz RZYMNIVETGQFCH-OAHLLOKOSA-N 0 3 320.393 1.584 20 5 DDBDHN COC(=O)[C@H]1CSCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000412092348 419649921 /nfs/dbraw/zinc/64/99/21/419649921.db2.gz ZISQZDVNKYPDQU-CYBMUJFWSA-N 0 3 324.402 1.975 20 5 DDBDHN COCCNCCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418511827 419848382 /nfs/dbraw/zinc/84/83/82/419848382.db2.gz RYAWWGBAMJXKMM-UHFFFAOYSA-N 0 3 324.381 1.015 20 5 DDBDHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429770348 420046207 /nfs/dbraw/zinc/04/62/07/420046207.db2.gz FJKNWLRGAXBMCO-QWRGUYRKSA-N 0 3 320.349 1.038 20 5 DDBDHN COc1cc(C(=O)N2CCN[C@H](C)[C@H]2C)cc([N+](=O)[O-])c1C ZINC000423606355 420096711 /nfs/dbraw/zinc/09/67/11/420096711.db2.gz KCVYIMWSWXVXJH-GHMZBOCLSA-N 0 3 307.350 1.734 20 5 DDBDHN COC(=O)c1cc(C(=O)N2CCN[C@H](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000423591600 420091813 /nfs/dbraw/zinc/09/18/13/420091813.db2.gz CKCROKMJPCTLBD-NXEZZACHSA-N 0 3 321.333 1.204 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCC[C@H]2CN2CCC[C@H]2CO)nc1 ZINC000301526263 229721599 /nfs/dbraw/zinc/72/15/99/229721599.db2.gz JFGYDYIJSBVXJC-KBPBESRZSA-N 0 3 306.366 1.415 20 5 DDBDHN C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCN1 ZINC000420342664 420222121 /nfs/dbraw/zinc/22/21/21/420222121.db2.gz XQCWPPZXNDEXOT-SECBINFHSA-N 0 3 312.757 1.480 20 5 DDBDHN CC1(C)CCCN1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000450953356 420568932 /nfs/dbraw/zinc/56/89/32/420568932.db2.gz YFAGXBBNJKWTSS-UHFFFAOYSA-N 0 3 307.354 1.375 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-]C[C@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000440431172 420575401 /nfs/dbraw/zinc/57/54/01/420575401.db2.gz HRRREWGOCJENMZ-JTQLQIEISA-N 0 3 301.368 1.165 20 5 DDBDHN CN1CC[C@@](O)(CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000487759925 421047739 /nfs/dbraw/zinc/04/77/39/421047739.db2.gz IYHYDCWJWRKVTO-OAHLLOKOSA-N 0 3 302.334 1.043 20 5 DDBDHN CNCCN(C)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000563446904 421510127 /nfs/dbraw/zinc/51/01/27/421510127.db2.gz ZXZPLDNYZNATBY-UHFFFAOYSA-N 0 3 301.368 1.052 20 5 DDBDHN CNc1nccc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000563547530 421520376 /nfs/dbraw/zinc/52/03/76/421520376.db2.gz VNYFWYKXLQCKLU-QWRGUYRKSA-N 0 3 321.381 1.586 20 5 DDBDHN CC(C)(C)N1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000520153246 421738360 /nfs/dbraw/zinc/73/83/60/421738360.db2.gz WQJAGTLPJAODEM-UHFFFAOYSA-N 0 3 321.381 1.399 20 5 DDBDHN Cc1c(CN)c(NC(=O)c2cc([N+](=O)[O-])ccc2C)nn1C ZINC000595960365 422359275 /nfs/dbraw/zinc/35/92/75/422359275.db2.gz DEEGXDUBRDTRFK-UHFFFAOYSA-N 0 3 303.322 1.656 20 5 DDBDHN CC[C@]1(O)CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000602983365 422439987 /nfs/dbraw/zinc/43/99/87/422439987.db2.gz IWZIWTXEPXHMNH-BBRMVZONSA-N 0 3 324.377 1.571 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000577729401 422416164 /nfs/dbraw/zinc/41/61/64/422416164.db2.gz MXRAALMAYCMEBV-ZJUUUORDSA-N 0 3 301.368 1.307 20 5 DDBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000344617088 272071199 /nfs/dbraw/zinc/07/11/99/272071199.db2.gz QDNTVTJHJKHVBL-LLVKDONJSA-N 0 3 309.370 1.028 20 5 DDBDHN CN(C)CCOCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000345964444 272376936 /nfs/dbraw/zinc/37/69/36/272376936.db2.gz RISIRGQQPJKAEX-UHFFFAOYSA-N 0 3 323.393 1.567 20 5 DDBDHN COC(=O)c1cc(N2C[C@@H]3CCN(C)[C@@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000450775702 274000505 /nfs/dbraw/zinc/00/05/05/274000505.db2.gz GLPAZDGJUNVACV-SMDDNHRTSA-N 0 3 319.361 1.830 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3CCC[C@H]3C2)n1 ZINC000285989935 274004203 /nfs/dbraw/zinc/00/42/03/274004203.db2.gz CPFDUMKQNWKDJJ-JTQLQIEISA-N 0 3 306.322 1.061 20 5 DDBDHN CCN1CCC[C@H]1CN(C)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000177022556 276181510 /nfs/dbraw/zinc/18/15/10/276181510.db2.gz HKNNZNIFEJLEQE-NSHDSACASA-N 0 3 309.370 1.193 20 5 DDBDHN C[C@]1(F)CNCCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000420270760 280164717 /nfs/dbraw/zinc/16/47/17/280164717.db2.gz UZHXJLZIMSIQEW-AWEZNQCLSA-N 0 3 305.313 1.676 20 5 DDBDHN CC(C)C[C@H](Nc1ccc([N+](=O)[O-])cn1)C(=O)NCCN(C)C ZINC000129486267 281346576 /nfs/dbraw/zinc/34/65/76/281346576.db2.gz KLTZBUTXFXUNBC-ZDUSSCGKSA-N 0 3 323.397 1.494 20 5 DDBDHN C[C@H](NCCCN1C(=O)CNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000173402418 298255356 /nfs/dbraw/zinc/25/53/56/298255356.db2.gz UXIFSOZSINBNPL-JTQLQIEISA-N 0 3 306.322 1.187 20 5 DDBDHN Cc1nn(C)c(C(=O)N2CCCN(CC(C)C)CC2)c1[N+](=O)[O-] ZINC000362999695 300196955 /nfs/dbraw/zinc/19/69/55/300196955.db2.gz IWLWOUDDLBWDML-UHFFFAOYSA-N 0 3 323.397 1.441 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@H]1CN1CCCC1 ZINC000363871449 300318993 /nfs/dbraw/zinc/31/89/93/300318993.db2.gz CYYQOVVZQPACJL-ZDUSSCGKSA-N 0 3 304.350 1.690 20 5 DDBDHN CN1CC[C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C[C@@H]21 ZINC000364300811 300372395 /nfs/dbraw/zinc/37/23/95/300372395.db2.gz GURFOZRAFNSNMS-ZJUUUORDSA-N 0 3 307.379 1.834 20 5 DDBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@]1(F)CCNC1 ZINC000378210853 302296184 /nfs/dbraw/zinc/29/61/84/302296184.db2.gz YOYMGOQSWWMXEO-HNNXBMFYSA-N 0 3 309.341 1.735 20 5 DDBDHN NC(=O)c1ccc(CN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000398673270 302360084 /nfs/dbraw/zinc/36/00/84/302360084.db2.gz FXZAOQHBAIJIHM-YUTCNCBUSA-N 0 3 319.361 1.287 20 5 DDBDHN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000356867663 306865741 /nfs/dbraw/zinc/86/57/41/306865741.db2.gz MUOZBMXCIJRVAA-NWDGAFQWSA-N 0 3 307.350 1.938 20 5 DDBDHN Cn1ccnc1[C@H]1CNCCN1Cc1ccccc1[N+](=O)[O-] ZINC000261705440 303009986 /nfs/dbraw/zinc/00/99/86/303009986.db2.gz GRRKFJMOYARQIR-CQSZACIVSA-N 0 3 301.350 1.475 20 5 DDBDHN CC(C)CN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000364891094 307052597 /nfs/dbraw/zinc/05/25/97/307052597.db2.gz BPWVGGOURQYAAD-UHFFFAOYSA-N 0 3 320.393 1.981 20 5 DDBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(n2cncn2)CC1 ZINC000368846325 307111632 /nfs/dbraw/zinc/11/16/32/307111632.db2.gz PZBGPDJHCPYOOF-UHFFFAOYSA-N 0 3 317.349 1.902 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccc(O)cc2)c1 ZINC000565476555 308031808 /nfs/dbraw/zinc/03/18/08/308031808.db2.gz KVGGRPQAYXHBSH-HNNXBMFYSA-N 0 3 318.329 1.830 20 5 DDBDHN COc1ccc(CC(=O)N2CCN[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000567915696 308099511 /nfs/dbraw/zinc/09/95/11/308099511.db2.gz DOTVVMYDAKMFKQ-WDEREUQCSA-N 0 3 307.350 1.355 20 5 DDBDHN COc1ccc(CC(=O)N2CCN[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000567915695 308099562 /nfs/dbraw/zinc/09/95/62/308099562.db2.gz DOTVVMYDAKMFKQ-QWRGUYRKSA-N 0 3 307.350 1.355 20 5 DDBDHN C[NH+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736759208 598828408 /nfs/dbraw/zinc/82/84/08/598828408.db2.gz PYOXCGCAMCJLSX-JTQLQIEISA-N 0 3 317.353 1.163 20 5 DDBDHN C[NH+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736759208 598828410 /nfs/dbraw/zinc/82/84/10/598828410.db2.gz PYOXCGCAMCJLSX-JTQLQIEISA-N 0 3 317.353 1.163 20 5 DDBDHN CN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000103118080 696612883 /nfs/dbraw/zinc/61/28/83/696612883.db2.gz KBMSNQXEGNNOIF-UHFFFAOYSA-N 0 3 322.321 1.671 20 5 DDBDHN COc1cc(C(=O)NCCN2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000783918778 698892493 /nfs/dbraw/zinc/89/24/93/698892493.db2.gz LVVCVCXTKRQZSF-LLVKDONJSA-N 0 3 307.350 1.818 20 5 DDBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CCN(C2CC2)C1 ZINC000786949630 699181969 /nfs/dbraw/zinc/18/19/69/699181969.db2.gz KLYVINAQOFKZSO-LBPRGKRZSA-N 0 3 304.350 1.486 20 5 DDBDHN COCCN1CC[C@H](Nc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000730806822 699516334 /nfs/dbraw/zinc/51/63/34/699516334.db2.gz MNKGRPPDMQMJOS-NSHDSACASA-N 0 3 305.338 1.375 20 5 DDBDHN COC(=O)C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000754524385 700508256 /nfs/dbraw/zinc/50/82/56/700508256.db2.gz XENFKZTZEBEGFN-GFCCVEGCSA-N 0 3 321.333 1.465 20 5 DDBDHN CC(C)N(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC(=O)N1 ZINC000839670013 701774986 /nfs/dbraw/zinc/77/49/86/701774986.db2.gz REVCMAGDSHXZLG-DZGCQCFKSA-N 0 3 321.377 1.617 20 5 DDBDHN Cc1ccc(CNC(=O)N[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000868363821 702085056 /nfs/dbraw/zinc/08/50/56/702085056.db2.gz QUIIVXAYIMZSES-CYBMUJFWSA-N 0 3 306.366 1.797 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])[C@@H]2C1 ZINC000868519332 702173699 /nfs/dbraw/zinc/17/36/99/702173699.db2.gz AOSYIMLSSGVSQW-DGCLKSJQSA-N 0 3 307.325 1.439 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c(N)c([N+](=O)[O-])c1 ZINC000816949334 702233287 /nfs/dbraw/zinc/23/32/87/702233287.db2.gz TUIPTCMYZSUVIR-GWCFXTLKSA-N 0 3 304.350 1.262 20 5 DDBDHN CC(COC(=O)CCN1C(=O)CCc2ccccc21)[N+](=O)[O-] ZINC000813102264 702290967 /nfs/dbraw/zinc/29/09/67/702290967.db2.gz CYKJSFJSECRJTD-LLVKDONJSA-N 0 3 306.318 1.564 20 5 DDBDHN COCc1nnc(-c2cccc(C(=O)OCC(C)[N+](=O)[O-])c2)o1 ZINC000813103110 702291157 /nfs/dbraw/zinc/29/11/57/702291157.db2.gz NVTLHLUUUAYCIW-VIFPVBQESA-N 0 3 321.289 1.705 20 5 DDBDHN CC(COC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C)[N+](=O)[O-] ZINC000813103766 702292057 /nfs/dbraw/zinc/29/20/57/702292057.db2.gz SSAZZTYYROIRFA-IUCAKERBSA-N 0 3 304.368 1.142 20 5 DDBDHN CC(COC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1)[N+](=O)[O-] ZINC000813104417 702292146 /nfs/dbraw/zinc/29/21/46/702292146.db2.gz CGFDPHYQMXUJHE-KOLCDFICSA-N 0 3 316.354 1.888 20 5 DDBDHN CC(=O)[C@@H]1CC(C(=O)OCC(C)[N+](=O)[O-])=NN1c1ccccc1 ZINC000813105166 702293128 /nfs/dbraw/zinc/29/31/28/702293128.db2.gz WMROVKVWZHRNQE-HZMBPMFUSA-N 0 3 319.317 1.419 20 5 DDBDHN Cc1nc(-c2cnn(C)c2)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106777 702294351 /nfs/dbraw/zinc/29/43/51/702294351.db2.gz GYNPOBQBBNVKFP-ZETCQYMHSA-N 0 3 310.335 1.674 20 5 DDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879533663 706711168 /nfs/dbraw/zinc/71/11/68/706711168.db2.gz IOJLESWFFJSPPJ-ZMLRMANQSA-N 0 3 303.318 1.202 20 5 DDBDHN C[C@@H](CO)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000844417152 703028562 /nfs/dbraw/zinc/02/85/62/703028562.db2.gz SGDMYDVTKVHEOD-BLLLJJGKSA-N 0 3 308.378 1.969 20 5 DDBDHN CC(COC(=O)c1ccc(C(=O)OC(C)(C)C)nc1)[N+](=O)[O-] ZINC000845577590 703177420 /nfs/dbraw/zinc/17/74/20/703177420.db2.gz XICOGNXDYBXPFZ-SECBINFHSA-N 0 3 310.306 1.859 20 5 DDBDHN CC(=O)N(C)CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845878044 703211730 /nfs/dbraw/zinc/21/17/30/703211730.db2.gz SSYWRYGSBJKDJA-OTYXRUKQSA-N 0 3 312.297 1.554 20 5 DDBDHN CC(C)(C)[S@@](=O)CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819057010 704062191 /nfs/dbraw/zinc/06/21/91/704062191.db2.gz RHPMPASFLWGNLI-ASSNKEHSSA-N 0 3 314.407 1.765 20 5 DDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000874822362 705181794 /nfs/dbraw/zinc/18/17/94/705181794.db2.gz ARBBDDZLZGIVMT-ZIAGYGMSSA-N 0 3 321.352 1.972 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](c2ccnn2C)C1 ZINC000877976683 706256088 /nfs/dbraw/zinc/25/60/88/706256088.db2.gz YAJUFZGHYKAIBB-CYBMUJFWSA-N 0 3 318.381 1.713 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000830015877 706438044 /nfs/dbraw/zinc/43/80/44/706438044.db2.gz GFDYBIMLQOTUNX-LKFCYVNXSA-N 0 3 307.325 1.946 20 5 DDBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000830292901 706491374 /nfs/dbraw/zinc/49/13/74/706491374.db2.gz UENYDHHNEJPHFK-JYJNAYRXSA-N 0 3 321.377 1.033 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCN(CC(C)(C)O)C1 ZINC000865999066 706589959 /nfs/dbraw/zinc/58/99/59/706589959.db2.gz XMGPYIWADCELKA-NSHDSACASA-N 0 3 311.386 1.377 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC3(CC2)COCCO3)c1 ZINC000880545336 707012166 /nfs/dbraw/zinc/01/21/66/707012166.db2.gz ANFGMLJGEGPJSM-HNNXBMFYSA-N 0 3 322.361 1.510 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)c3cc(F)c([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000834310662 707027811 /nfs/dbraw/zinc/02/78/11/707027811.db2.gz SKMKRWRHCBFOLS-OQPBUACISA-N 0 3 311.288 1.649 20 5 DDBDHN O=[N+]([O-])c1c(F)nccc1NC1CCN([C@H]2CCOC2)CC1 ZINC000882114135 707505026 /nfs/dbraw/zinc/50/50/26/707505026.db2.gz OMSUGPZQOWTOLM-NSHDSACASA-N 0 3 310.329 1.794 20 5 DDBDHN COC[C@H]1C[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000883317318 707974017 /nfs/dbraw/zinc/97/40/17/707974017.db2.gz CCLFUDXTHVSJFW-KLPPZKSPSA-N 0 3 308.334 1.881 20 5 DDBDHN COCC[C@@H](N)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000884306571 708236226 /nfs/dbraw/zinc/23/62/26/708236226.db2.gz IEAGOWZMZWCNDV-CYBMUJFWSA-N 0 3 307.350 1.450 20 5 DDBDHN CCN(CCO)CCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000897415827 708320265 /nfs/dbraw/zinc/32/02/65/708320265.db2.gz JVFDKFURMVEISP-UHFFFAOYSA-N 0 3 309.366 1.256 20 5 DDBDHN O=[N+]([O-])c1ncccc1CN[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000886164353 708708661 /nfs/dbraw/zinc/70/86/61/708708661.db2.gz IWZWRHSLSMJUPA-GJZGRUSLSA-N 0 3 320.393 1.723 20 5 DDBDHN C[C@H]1COCCN1C1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886212844 708716379 /nfs/dbraw/zinc/71/63/79/708716379.db2.gz GWRMCJKZERTTKF-ZDUSSCGKSA-N 0 3 320.393 1.675 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889778945 709631622 /nfs/dbraw/zinc/63/16/22/709631622.db2.gz CEBSESVAAWCXKD-LSDHHAIUSA-N 0 3 319.361 1.266 20 5 DDBDHN COc1cc(C(=O)N[C@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000928431806 713192950 /nfs/dbraw/zinc/19/29/50/713192950.db2.gz HAPXCSUVRZWZBK-KWQFWETISA-N 0 3 311.313 1.565 20 5 DDBDHN CC[C@H](NCC[N+](=O)[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000905170610 711958271 /nfs/dbraw/zinc/95/82/71/711958271.db2.gz RBHWBQFOHKUCEV-HOTGVXAUSA-N 0 3 307.394 1.532 20 5 DDBDHN C[C@H](CN1C(=O)N[C@@H](CN(C)C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000928999994 713522705 /nfs/dbraw/zinc/52/27/05/713522705.db2.gz AFGVDBPSUDNFHG-PWSUYJOCSA-N 0 3 320.349 1.180 20 5 DDBDHN COc1ccc(CNCCOC2CCOCC2)cc1[N+](=O)[O-] ZINC000922934828 714191165 /nfs/dbraw/zinc/19/11/65/714191165.db2.gz WGMHRZBYAOCKAZ-UHFFFAOYSA-N 0 3 310.350 1.889 20 5 DDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000923271098 714291843 /nfs/dbraw/zinc/29/18/43/714291843.db2.gz LAQZZQZBPDCEEW-CMPLNLGQSA-N 0 3 304.350 1.486 20 5 DDBDHN CC(C)C[C@@H]1CN(C)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000933252499 714547580 /nfs/dbraw/zinc/54/75/80/714547580.db2.gz WZCZONOXYVYTPU-OAHLLOKOSA-N 0 3 322.409 1.419 20 5 DDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924528860 714604863 /nfs/dbraw/zinc/60/48/63/714604863.db2.gz JXSAHGVFMDWRHL-MWLCHTKSSA-N 0 3 306.322 1.138 20 5 DDBDHN O=[N+]([O-])c1cc(CN2CC[C@H]3[C@H]2CCCN3CCO)cs1 ZINC000934258097 714777764 /nfs/dbraw/zinc/77/77/64/714777764.db2.gz PWLFCIIGQNUBOP-OLZOCXBDSA-N 0 3 311.407 1.687 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](Cc3nccs3)C2)c1 ZINC000934333746 714796934 /nfs/dbraw/zinc/79/69/34/714796934.db2.gz QVYVEUAYTZZXPY-LLVKDONJSA-N 0 3 307.379 1.812 20 5 DDBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCc2cccs2)C1 ZINC000950056189 720469884 /nfs/dbraw/zinc/46/98/84/720469884.db2.gz WJCSYNQTAOYXNF-ZIAGYGMSSA-N 0 3 323.418 1.489 20 5 DDBDHN Cc1ccc(F)c(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001031662332 747336465 /nfs/dbraw/zinc/33/64/65/747336465.db2.gz BPPOCLZLAQOOHY-UKRRQHHQSA-N 0 3 321.352 1.347 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccns1 ZINC001128501494 748168690 /nfs/dbraw/zinc/16/86/90/748168690.db2.gz BVMIKASNNSLDBC-UHFFFAOYSA-N 0 3 306.347 1.571 20 5 DDBDHN CCN(CC)CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001095566976 750045830 /nfs/dbraw/zinc/04/58/30/750045830.db2.gz JYSXCPFVXSSBHG-UHFFFAOYSA-N 0 3 323.397 1.274 20 5 DDBDHN O=C(CCc1c[nH]cn1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001128986346 750687386 /nfs/dbraw/zinc/68/73/86/750687386.db2.gz SIQQUNOQQJAHQH-UHFFFAOYSA-N 0 3 317.349 1.157 20 5 DDBDHN CC(C)OCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001155389134 761104400 /nfs/dbraw/zinc/10/44/00/761104400.db2.gz DQTPRUJNYSRERC-UHFFFAOYSA-N 0 3 309.366 1.616 20 5 DDBDHN COc1ccc(C[C@@H](C)NC2CN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170315906 766246463 /nfs/dbraw/zinc/24/64/63/766246463.db2.gz ZFFFUWMROWVBHA-SNVBAGLBSA-N 0 3 307.350 1.355 20 5 DDBDHN Cc1n[nH]cc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001132139252 768645495 /nfs/dbraw/zinc/64/54/95/768645495.db2.gz ZCSBJCRDXUGTLY-UHFFFAOYSA-N 0 3 303.322 1.146 20 5 DDBDHN CCC1(CC)CNC(=O)[C@@H]1NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001176451401 778152306 /nfs/dbraw/zinc/15/23/06/778152306.db2.gz BVNORIWTKUKFOB-KGLIPLIRSA-N 0 3 321.377 1.523 20 5 DDBDHN O=C(Cn1ccnc1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001177411330 778586674 /nfs/dbraw/zinc/58/66/74/778586674.db2.gz HSHKVUPDKOTXEW-UHFFFAOYSA-N 0 3 323.378 1.149 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001119984889 781709125 /nfs/dbraw/zinc/70/91/25/781709125.db2.gz WZNLULNCDVLPPQ-OLZOCXBDSA-N 0 3 306.366 1.334 20 5 DDBDHN NCc1ccnn1-c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001155130358 861759722 /nfs/dbraw/zinc/75/97/22/861759722.db2.gz MZNBZDHUXHTTMA-UHFFFAOYSA-N 0 3 304.697 1.836 20 5 DDBDHN CCOC(=O)[C@H]1CNCCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001326992037 861779812 /nfs/dbraw/zinc/77/98/12/861779812.db2.gz XGRINEMPCWCKHE-CQSZACIVSA-N 0 3 307.350 1.240 20 5 DDBDHN Cc1c[nH]cc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001151026202 862583098 /nfs/dbraw/zinc/58/30/98/862583098.db2.gz WUJSHLCQUDISBM-UHFFFAOYSA-N 0 3 302.334 1.751 20 5 DDBDHN CN1CCCC[C@@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001122111976 858689048 /nfs/dbraw/zinc/68/90/48/858689048.db2.gz PWAOQURFPIUQHF-CQSZACIVSA-N 0 3 320.393 1.921 20 5 DDBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001122179330 858704458 /nfs/dbraw/zinc/70/44/58/858704458.db2.gz DAABOGCNVQUXJI-GRYCIOLGSA-N 0 3 307.350 1.571 20 5 DDBDHN CCOCCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001123992517 859514872 /nfs/dbraw/zinc/51/48/72/859514872.db2.gz OMSLCABGJGSESQ-UHFFFAOYSA-N 0 3 309.366 1.617 20 5 DDBDHN CCn1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC001125011335 859870938 /nfs/dbraw/zinc/87/09/38/859870938.db2.gz UFNUCUHNMLFJRK-UHFFFAOYSA-N 0 3 317.349 1.331 20 5 DDBDHN CCOc1nc(N2C[C@H]3CCCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001157271747 863701351 /nfs/dbraw/zinc/70/13/51/863701351.db2.gz JEPFBZOOKHSRLO-DGCLKSJQSA-N 0 3 306.366 1.919 20 5 DDBDHN CN(CCN(C)c1cc([N+](=O)[O-])cc[n+]1[O-])Cc1ccccc1 ZINC001157551582 863914601 /nfs/dbraw/zinc/91/46/01/863914601.db2.gz LHEMLVZZDOKVFG-UHFFFAOYSA-N 0 3 316.361 1.796 20 5 DDBDHN Cc1c(F)cnc(NCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC001161703477 866909305 /nfs/dbraw/zinc/90/93/05/866909305.db2.gz GAHBPMIYPCVDJK-UHFFFAOYSA-N 0 3 311.361 1.487 20 5 DDBDHN O=[N+]([O-])c1cnccc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001213036862 867121023 /nfs/dbraw/zinc/12/10/23/867121023.db2.gz MWICIINRLFRZEI-UHFFFAOYSA-N 0 3 324.300 1.748 20 5 DDBDHN COc1ncc([N+](=O)[O-])c(N[C@H]2CCCC[C@@]23CNCCO3)n1 ZINC001163646216 868590386 /nfs/dbraw/zinc/59/03/86/868590386.db2.gz MTWJAJXZZACVSE-SMDDNHRTSA-N 0 3 323.353 1.107 20 5 DDBDHN Cc1n[nH]cc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001163661329 868602150 /nfs/dbraw/zinc/60/21/50/868602150.db2.gz LFQBNIBEXCVRPK-UHFFFAOYSA-N 0 3 317.349 1.536 20 5 DDBDHN CCN1CC[C@@H](Oc2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC001226213566 882284410 /nfs/dbraw/zinc/28/44/10/882284410.db2.gz DVSAKKVLQWEQQP-GFCCVEGCSA-N 0 3 308.334 1.783 20 5 DDBDHN N[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C[C@@H]1F ZINC001165121787 869391852 /nfs/dbraw/zinc/39/18/52/869391852.db2.gz WPQZCQVIZJRBQQ-NKWVEPMBSA-N 0 3 310.663 1.674 20 5 DDBDHN CCOC(=O)c1cc([N+](=O)[O-])cnc1N(C)CCN1CCCC1 ZINC001165140994 869404968 /nfs/dbraw/zinc/40/49/68/869404968.db2.gz SUYAGMXAIKAYLU-UHFFFAOYSA-N 0 3 322.365 1.699 20 5 DDBDHN CC(C)N(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccon1 ZINC001317685674 871408544 /nfs/dbraw/zinc/40/85/44/871408544.db2.gz AQZTVQTXHNDOJX-CHWSQXEVSA-N 0 3 310.354 1.057 20 5 DDBDHN C[C@@H](CNC(=O)CNC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC001342831680 872405223 /nfs/dbraw/zinc/40/52/23/872405223.db2.gz HQZXVIXHYLNQKL-QWHCGFSZSA-N 0 3 321.377 1.583 20 5 DDBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC001354328774 877894641 /nfs/dbraw/zinc/89/46/41/877894641.db2.gz BGPUYFGPYHLUFY-GHMZBOCLSA-N 0 3 313.354 1.828 20 5 DDBDHN COC(=O)c1ccc(OCCN2CC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC001234056094 887598689 /nfs/dbraw/zinc/59/86/89/887598689.db2.gz CSPDCWRHZQDURF-GFCCVEGCSA-N 0 3 324.333 1.481 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCc1c[n-][nH]c1=O ZINC001254536838 896491558 /nfs/dbraw/zinc/49/15/58/896491558.db2.gz UJTZEQDTZJSTBG-WCQYABFASA-N 0 3 304.350 1.627 20 5 DDBDHN CNC(=O)CC[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000286540059 219043330 /nfs/dbraw/zinc/04/33/30/219043330.db2.gz RUSARBMIQOVBKN-GFCCVEGCSA-N 0 3 309.370 1.172 20 5 DDBDHN COc1ccc(OCCN2CC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000248969474 282122377 /nfs/dbraw/zinc/12/23/77/282122377.db2.gz SKIBTXCYIIUYPB-FZMZJTMJSA-N 0 3 310.350 1.685 20 5 DDBDHN C[C@@H](CN1CCN(C)CC1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278590844 214259422 /nfs/dbraw/zinc/25/94/22/214259422.db2.gz YWZGFEMHFIVVOZ-NSHDSACASA-N 0 3 318.381 1.519 20 5 DDBDHN COC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000181573285 199320177 /nfs/dbraw/zinc/32/01/77/199320177.db2.gz WQOPRHBAVHMJKB-CQSZACIVSA-N 0 3 307.350 1.856 20 5 DDBDHN COC(=O)COc1ccc(CNC2CC=CC2)cc1[N+](=O)[O-] ZINC000616091203 362543389 /nfs/dbraw/zinc/54/33/89/362543389.db2.gz UUPJRDCIDOTPHY-UHFFFAOYSA-N 0 3 306.318 1.955 20 5 DDBDHN CN(CCn1cccn1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181868746 186212941 /nfs/dbraw/zinc/21/29/41/186212941.db2.gz AOPHEOIMUYJGTD-CYBMUJFWSA-N 0 3 320.349 1.163 20 5 DDBDHN COc1cc(C(=O)NC[C@@H]2CCCN2C)cc([N+](=O)[O-])c1OC ZINC000265975348 186344561 /nfs/dbraw/zinc/34/45/61/186344561.db2.gz XBFJPTWTYRPIPH-NSHDSACASA-N 0 3 323.349 1.436 20 5 DDBDHN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)Cc1ccccc1 ZINC000054462386 352692774 /nfs/dbraw/zinc/69/27/74/352692774.db2.gz IKVJLPVINPUSDB-CYBMUJFWSA-N 0 3 316.361 1.826 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000057159662 352802351 /nfs/dbraw/zinc/80/23/51/352802351.db2.gz XIYBSZJHIJRCLO-LBPRGKRZSA-N 0 3 307.350 1.818 20 5 DDBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(C2CC2)C1 ZINC000491561347 234205028 /nfs/dbraw/zinc/20/50/28/234205028.db2.gz JRXKHSIFJNDSNL-SYAFZNNESA-N 0 3 301.346 1.961 20 5 DDBDHN CN(C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cn1 ZINC000061634960 352892225 /nfs/dbraw/zinc/89/22/25/352892225.db2.gz KHXQCKJFOCRZQK-UHFFFAOYSA-N 0 3 321.312 1.744 20 5 DDBDHN COCCN1CCC[C@@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000069528738 353166299 /nfs/dbraw/zinc/16/62/99/353166299.db2.gz BBBAJQHDBJYMDE-CQSZACIVSA-N 0 3 321.377 1.364 20 5 DDBDHN COCCCN(C)CCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173917226 198268182 /nfs/dbraw/zinc/26/81/82/198268182.db2.gz FRVOXBCVSSZXSE-UHFFFAOYSA-N 0 3 309.366 1.601 20 5 DDBDHN CNc1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000320902355 354529901 /nfs/dbraw/zinc/52/99/01/354529901.db2.gz OIMZLUVEUPDCJB-ZDUSSCGKSA-N 0 3 318.377 1.947 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000590776511 355176691 /nfs/dbraw/zinc/17/66/91/355176691.db2.gz FHNFWSAJSCLNIO-DOMZBBRYSA-N 0 3 318.377 1.559 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@@H](O)[C@@H](CO)C2)cc1 ZINC000591054807 355238794 /nfs/dbraw/zinc/23/87/94/355238794.db2.gz DNSXFDCRCPXOCS-IUODEOHRSA-N 0 3 310.350 1.039 20 5 DDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1c(F)cccc1[N+](=O)[O-] ZINC000591986928 355453661 /nfs/dbraw/zinc/45/36/61/355453661.db2.gz YVXWVNJMHRGESQ-SNVBAGLBSA-N 0 3 310.329 1.290 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C)[C@@H]2CCOC2)c1 ZINC000593024623 355772688 /nfs/dbraw/zinc/77/26/88/355772688.db2.gz OVFWNASGSVDUHA-ZYHUDNBSSA-N 0 3 308.334 1.896 20 5 DDBDHN CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000593070263 355786544 /nfs/dbraw/zinc/78/65/44/355786544.db2.gz VYTWCBRCFGPTNF-CABCVRRESA-N 0 3 324.377 1.835 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN(CCN(C)C)C(=O)C1 ZINC000593655542 355955215 /nfs/dbraw/zinc/95/52/15/355955215.db2.gz QLBSLNIUCRODOD-UHFFFAOYSA-N 0 3 320.393 1.109 20 5 DDBDHN O=[N+]([O-])c1ccc2c(ccnc2N2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000594603130 356261920 /nfs/dbraw/zinc/26/19/20/356261920.db2.gz KNMDSTPCNUHVEK-UONOGXRCSA-N 0 3 314.345 1.398 20 5 DDBDHN O=[N+]([O-])c1cc([O-])ccc1-n1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000594652786 356275792 /nfs/dbraw/zinc/27/57/92/356275792.db2.gz OQPANERHGDVQKQ-JTQLQIEISA-N 0 3 303.322 1.423 20 5 DDBDHN N[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[C@H]1F ZINC000595260547 356423732 /nfs/dbraw/zinc/42/37/32/356423732.db2.gz CIIWIAYYGHOCAD-GHMZBOCLSA-N 0 3 310.329 1.295 20 5 DDBDHN Cc1noc(CN2CCC(CN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000595296145 356437760 /nfs/dbraw/zinc/43/77/60/356437760.db2.gz JOKKFPWRDXDCPQ-UHFFFAOYSA-N 0 3 324.381 1.435 20 5 DDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCNCC2)cc1OC ZINC000237049933 202136795 /nfs/dbraw/zinc/13/67/95/202136795.db2.gz TUJZIPPBQPKDPJ-UHFFFAOYSA-N 0 3 323.349 1.438 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000595856990 356679785 /nfs/dbraw/zinc/67/97/85/356679785.db2.gz HERBBDFSXKPMRO-INWMFGNUSA-N 0 3 324.377 1.285 20 5 DDBDHN COC(=O)c1cc(NC(=O)C2(N)CCCCC2)cc([N+](=O)[O-])c1 ZINC000237184749 202180186 /nfs/dbraw/zinc/18/01/86/202180186.db2.gz WDTGXANWTNPJOS-UHFFFAOYSA-N 0 3 321.333 1.982 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(N(CCN(C)C)CC(=O)N(C)C)n1 ZINC000596462616 356888162 /nfs/dbraw/zinc/88/81/62/356888162.db2.gz MRQWIDIOHGXYMY-UHFFFAOYSA-N 0 3 323.397 1.063 20 5 DDBDHN Nc1c(F)c(NC2CCN([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000596518811 356905010 /nfs/dbraw/zinc/90/50/10/356905010.db2.gz FSFVHEAODZEPCE-LLVKDONJSA-N 0 3 324.356 1.981 20 5 DDBDHN Cc1ccc([C@H](C)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000596651201 356942622 /nfs/dbraw/zinc/94/26/22/356942622.db2.gz BGIOSRCCYXVNSA-JTQLQIEISA-N 0 3 317.349 1.708 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@](O)(CN(C)C)C2)c1 ZINC000597575217 357234453 /nfs/dbraw/zinc/23/44/53/357234453.db2.gz VDTJCCWLTCJSAM-MRXNPFEDSA-N 0 3 321.377 1.432 20 5 DDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000597859577 357361149 /nfs/dbraw/zinc/36/11/49/357361149.db2.gz VFNYJBUBRWPORO-SNVBAGLBSA-N 0 3 324.356 1.919 20 5 DDBDHN CCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000597943903 357392530 /nfs/dbraw/zinc/39/25/30/357392530.db2.gz ASTZXXGEDFTUMA-GFCCVEGCSA-N 0 3 306.366 1.803 20 5 DDBDHN Cc1ccc(S(=O)(=O)N2CCCNCC2)c(C)c1[N+](=O)[O-] ZINC000598716828 357702214 /nfs/dbraw/zinc/70/22/14/357702214.db2.gz SBIKENQLIDFWKU-UHFFFAOYSA-N 0 3 313.379 1.196 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000600692045 358284431 /nfs/dbraw/zinc/28/44/31/358284431.db2.gz RUIWBKLHZNNGIE-JTQLQIEISA-N 0 3 321.333 1.190 20 5 DDBDHN Cc1ccc(NC(=O)c2cnn(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000600884667 358337799 /nfs/dbraw/zinc/33/77/99/358337799.db2.gz YMTBXUOSJBUEQG-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN Cc1c(CNC[C@@H](O)C[C@@](C)(O)C2CC2)cccc1[N+](=O)[O-] ZINC000601963269 358755281 /nfs/dbraw/zinc/75/52/81/358755281.db2.gz DYWDRYMLMCEFFW-GOEBONIOSA-N 0 3 308.378 1.905 20 5 DDBDHN Cn1cc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484133 359010360 /nfs/dbraw/zinc/01/03/60/359010360.db2.gz HPIFYHOSWNSOLR-WFASDCNBSA-N 0 3 319.409 1.777 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](c2ccncc2)C1 ZINC000602834591 359226244 /nfs/dbraw/zinc/22/62/44/359226244.db2.gz ULJGAACBBUHLQY-CQSZACIVSA-N 0 3 301.350 1.984 20 5 DDBDHN Cn1cc(CN[C@H]2CCCC[C@@H]2N2CCOCC2)c([N+](=O)[O-])n1 ZINC000602813888 359209446 /nfs/dbraw/zinc/20/94/46/359209446.db2.gz AKBASYCXCCPUAZ-KBPBESRZSA-N 0 3 323.397 1.061 20 5 DDBDHN CCOC(=O)C[C@@](C)(NCc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000602818212 359213433 /nfs/dbraw/zinc/21/34/33/359213433.db2.gz LYFMXPQSCQSEIY-CQSZACIVSA-N 0 3 312.370 1.786 20 5 DDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000602937111 359306901 /nfs/dbraw/zinc/30/69/01/359306901.db2.gz QIGDTKNJHJIJRX-UHNFBRDESA-N 0 3 317.345 1.640 20 5 DDBDHN CO[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)[C@](C)(CO)C1 ZINC000602964441 359328121 /nfs/dbraw/zinc/32/81/21/359328121.db2.gz PNLVSYXNQSMROH-HOTGVXAUSA-N 0 3 324.377 1.835 20 5 DDBDHN CCN(C)C(=O)CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000186809249 200014454 /nfs/dbraw/zinc/01/44/54/200014454.db2.gz SPWASMXBGOOBEQ-LLVKDONJSA-N 0 3 322.365 1.380 20 5 DDBDHN CN(CCN(C)C1CC1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000186749875 200003561 /nfs/dbraw/zinc/00/35/61/200003561.db2.gz SQBHGEHCFHMHML-UHFFFAOYSA-N 0 3 320.393 1.949 20 5 DDBDHN Cc1nn(C)c(C(=O)NC[C@H](N)c2ccccc2)c1[N+](=O)[O-] ZINC000237799604 202358311 /nfs/dbraw/zinc/35/83/11/202358311.db2.gz UKHCUEOUQNUVNS-NSHDSACASA-N 0 3 303.322 1.067 20 5 DDBDHN COC(=O)c1cc(NC(=O)[C@H]2CCN(C)C2)cc([N+](=O)[O-])c1 ZINC000609883750 360360032 /nfs/dbraw/zinc/36/00/32/360360032.db2.gz STYNPGBLBZSYSP-VIFPVBQESA-N 0 3 307.306 1.272 20 5 DDBDHN CN(C[C@H](O)C1CC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610572869 360473885 /nfs/dbraw/zinc/47/38/85/360473885.db2.gz PCWYNLYEAVHLFY-ZFWWWQNUSA-N 0 3 310.350 1.037 20 5 DDBDHN CN(C)CCn1cc(NC(=O)c2cccc([N+](=O)[O-])c2N)cn1 ZINC000610513978 360457822 /nfs/dbraw/zinc/45/78/22/360457822.db2.gz JTJIIJLZWVUMRS-UHFFFAOYSA-N 0 3 318.337 1.187 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N[C@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000610922440 360572245 /nfs/dbraw/zinc/57/22/45/360572245.db2.gz BALPZUZKTOJCGC-NSHDSACASA-N 0 3 321.381 1.655 20 5 DDBDHN CN1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000610930180 360573942 /nfs/dbraw/zinc/57/39/42/360573942.db2.gz SHMHRCMSVQBJTG-UHFFFAOYSA-N 0 3 307.350 1.504 20 5 DDBDHN C[C@@H]1CN(c2cccnc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000611204550 360659197 /nfs/dbraw/zinc/65/91/97/360659197.db2.gz RWTHUGYEDYWDCC-KGLIPLIRSA-N 0 3 319.409 1.452 20 5 DDBDHN CN(C)C[C@]1(O)CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000618923052 363802614 /nfs/dbraw/zinc/80/26/14/363802614.db2.gz BUARQHZQJRDPRP-MRXNPFEDSA-N 0 3 321.377 1.052 20 5 DDBDHN O=[N+]([O-])c1ccccc1CNCC1(OCCO)CCOCC1 ZINC000282617965 217128881 /nfs/dbraw/zinc/12/88/81/217128881.db2.gz ITAPPMKUXOHBQO-UHFFFAOYSA-N 0 3 310.350 1.243 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](CO)CN1CCCCC1 ZINC000288516169 220194356 /nfs/dbraw/zinc/19/43/56/220194356.db2.gz NJFIDXDZWJSVRG-AWEZNQCLSA-N 0 3 321.377 1.100 20 5 DDBDHN Cc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000160228972 197394340 /nfs/dbraw/zinc/39/43/40/197394340.db2.gz CXIHHJCKSRCILD-AWEZNQCLSA-N 0 3 321.377 1.480 20 5 DDBDHN COc1cc(N2CCO[C@@H](CN(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000159909784 197372670 /nfs/dbraw/zinc/37/26/70/197372670.db2.gz FWMHWGLFDPGMPO-JTQLQIEISA-N 0 3 313.329 1.509 20 5 DDBDHN CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000270533932 248624559 /nfs/dbraw/zinc/62/45/59/248624559.db2.gz VXJKFLUFXKVOHZ-STQMWFEESA-N 0 3 309.391 1.712 20 5 DDBDHN COc1cnccc1N1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000336946421 249294850 /nfs/dbraw/zinc/29/48/50/249294850.db2.gz MGOKPOYRYBIJRM-UHFFFAOYSA-N 0 3 321.362 1.782 20 5 DDBDHN Cc1cc(C(=O)NCCN2CCC[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000104850677 194046791 /nfs/dbraw/zinc/04/67/91/194046791.db2.gz COHNZNGJWDLJOS-NSHDSACASA-N 0 3 320.393 1.947 20 5 DDBDHN CCN(CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CC1 ZINC000338824980 250152324 /nfs/dbraw/zinc/15/23/24/250152324.db2.gz OYCAWNQQPGTCQO-UHFFFAOYSA-N 0 3 309.370 1.127 20 5 DDBDHN NC(=O)C[C@@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000339140070 250311787 /nfs/dbraw/zinc/31/17/87/250311787.db2.gz LDAUOCDJSNKIDX-ZDUSSCGKSA-N 0 3 307.350 1.704 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CCN1C ZINC000340948522 251297082 /nfs/dbraw/zinc/29/70/82/251297082.db2.gz CCDMCSCTGINSIM-AAEUAGOBSA-N 0 3 306.366 1.877 20 5 DDBDHN COC(=O)[C@@H]1CN(C)CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000414493342 533006582 /nfs/dbraw/zinc/00/65/82/533006582.db2.gz IFMNTMWLVBLGPQ-CQSZACIVSA-N 0 3 321.377 1.440 20 5 DDBDHN O=[N+]([O-])c1cnc(NC[C@H](O)CN2CCCCC2)c(Cl)c1 ZINC000122627131 285180303 /nfs/dbraw/zinc/18/03/03/285180303.db2.gz COMKEDRNUZGCSX-NSHDSACASA-N 0 3 314.773 1.902 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H]1CCc2c1cccc2O ZINC000451180574 285221354 /nfs/dbraw/zinc/22/13/54/285221354.db2.gz TUWQIVJSDCEQRO-AWEZNQCLSA-N 0 3 315.329 1.739 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CNCCC2(F)F)c1 ZINC000449667935 533214083 /nfs/dbraw/zinc/21/40/83/533214083.db2.gz VWNBERPHACDJKS-LLVKDONJSA-N 0 3 315.276 1.330 20 5 DDBDHN NC(=O)c1ccc(CN[C@H](CO)C2CCCC2)c([N+](=O)[O-])c1 ZINC000289635426 221118318 /nfs/dbraw/zinc/11/83/18/221118318.db2.gz UNAZAOZXSXSTAT-CYBMUJFWSA-N 0 3 307.350 1.334 20 5 DDBDHN COc1ccc(CNC(=O)N2CCN[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000417176001 533602012 /nfs/dbraw/zinc/60/20/12/533602012.db2.gz BRVNSOIQOAPCKG-WDEREUQCSA-N 0 3 322.365 1.495 20 5 DDBDHN CO[C@H]1C[C@@H](N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000510122546 307398801 /nfs/dbraw/zinc/39/88/01/307398801.db2.gz YGYYFUSYZRVEEK-NFAWXSAZSA-N 0 3 310.350 1.444 20 5 DDBDHN C[C@@H]1CCCCN1CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000068203187 406622543 /nfs/dbraw/zinc/62/25/43/406622543.db2.gz OWWUOIZQMYLQAR-CYBMUJFWSA-N 0 3 320.393 1.997 20 5 DDBDHN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ccncc2)CC1 ZINC000007922706 406771180 /nfs/dbraw/zinc/77/11/80/406771180.db2.gz JPTWYXFVVNCKBP-UHFFFAOYSA-N 0 3 312.329 1.952 20 5 DDBDHN COCCNCCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000152288891 407603304 /nfs/dbraw/zinc/60/33/04/407603304.db2.gz CKLNYZXASCUOTK-UHFFFAOYSA-N 0 3 313.379 1.283 20 5 DDBDHN O=[N+]([O-])c1cccc(CN2CC[C@H](CN3CCOCC3)C2)c1 ZINC000129180418 407593596 /nfs/dbraw/zinc/59/35/96/407593596.db2.gz FDKQNZHKYSJMJK-OAHLLOKOSA-N 0 3 305.378 1.749 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CCCCC3)C2)n1 ZINC000271449963 407688310 /nfs/dbraw/zinc/68/83/10/407688310.db2.gz VLEUHCLNFLCGNR-NSHDSACASA-N 0 3 307.354 1.029 20 5 DDBDHN Cn1c(C(=O)Nc2ccc3c(c2)CNCC3)ccc1[N+](=O)[O-] ZINC000261981021 407702724 /nfs/dbraw/zinc/70/27/24/407702724.db2.gz RJRGDEHBVQRVGK-UHFFFAOYSA-N 0 3 300.318 1.831 20 5 DDBDHN CN(CCN(C)C1CC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000186709476 407750586 /nfs/dbraw/zinc/75/05/86/407750586.db2.gz FPZWWAQMMWDXHY-UHFFFAOYSA-N 0 3 307.350 1.526 20 5 DDBDHN C[C@H]1CN(CCCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)O1 ZINC000268041054 407867193 /nfs/dbraw/zinc/86/71/93/407867193.db2.gz XZQXSYICSFBCFK-RYUDHWBXSA-N 0 3 324.381 1.542 20 5 DDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000134306195 407896138 /nfs/dbraw/zinc/89/61/38/407896138.db2.gz QKULMJMVVSFIEQ-LBPRGKRZSA-N 0 3 307.325 1.948 20 5 DDBDHN C[C@H]1Cc2ccccc2CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173801531 407896769 /nfs/dbraw/zinc/89/67/69/407896769.db2.gz GLQMLHMIUYTUQV-LRDDRELGSA-N 0 3 316.361 1.599 20 5 DDBDHN CCC[C@@](C)(N)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000262720942 407909153 /nfs/dbraw/zinc/90/91/53/407909153.db2.gz ZOXFJDXJUBNQLO-IAQYHMDHSA-N 0 3 321.381 1.520 20 5 DDBDHN CN(C)C1(CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCC1 ZINC000189525522 408040681 /nfs/dbraw/zinc/04/06/81/408040681.db2.gz OCZKHPGQUURFIZ-UHFFFAOYSA-N 0 3 324.356 1.872 20 5 DDBDHN Cn1cc(CN[C@H]2CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181991419 408062515 /nfs/dbraw/zinc/06/25/15/408062515.db2.gz FJRQVVDTJQAPLI-ZDUSSCGKSA-N 0 3 302.334 1.874 20 5 DDBDHN CC(C)OCCN1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273190528 408100661 /nfs/dbraw/zinc/10/06/61/408100661.db2.gz PTPDHTFKSRJOIM-UHFFFAOYSA-N 0 3 309.370 1.686 20 5 DDBDHN COCCN(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176191657 408302829 /nfs/dbraw/zinc/30/28/29/408302829.db2.gz QDVPEBHQSNGHGK-UHFFFAOYSA-N 0 3 304.350 1.940 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCCC2)C1 ZINC000171450741 162219440 /nfs/dbraw/zinc/21/94/40/162219440.db2.gz HZXDZRJKTJKLAE-HNNXBMFYSA-N 0 3 303.362 1.834 20 5 DDBDHN CN(C)CCc1ccccc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000275676698 408643334 /nfs/dbraw/zinc/64/33/34/408643334.db2.gz PQCDFLUCLMFBMC-UHFFFAOYSA-N 0 3 317.349 1.534 20 5 DDBDHN Nc1ccc([N+](=O)[O-])c(N2CCC(CN3CCOCC3)CC2)c1 ZINC000192779949 408646196 /nfs/dbraw/zinc/64/61/96/408646196.db2.gz KUGNSMMULRXAOG-UHFFFAOYSA-N 0 3 320.393 1.726 20 5 DDBDHN C[C@H](O)CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000249262089 408707634 /nfs/dbraw/zinc/70/76/34/408707634.db2.gz HFDYUOJMAWLYAP-KGLIPLIRSA-N 0 3 323.393 1.361 20 5 DDBDHN Nc1ccc([N+](=O)[O-])c(N2CCN(CC3CCOCC3)CC2)c1 ZINC000193448627 408719381 /nfs/dbraw/zinc/71/93/81/408719381.db2.gz CEFALEFJYRKNJH-UHFFFAOYSA-N 0 3 320.393 1.726 20 5 DDBDHN CO[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000251655653 408784528 /nfs/dbraw/zinc/78/45/28/408784528.db2.gz HTRFWMIFWMOBLC-DVOMOZLQSA-N 0 3 324.377 1.691 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@](C)(O)CN1CCOCC1 ZINC000183479410 306711362 /nfs/dbraw/zinc/71/13/62/306711362.db2.gz NQJLQMWIGAOYOK-MRXNPFEDSA-N 0 3 323.393 1.076 20 5 DDBDHN CCOCCOCCN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000276282676 408828783 /nfs/dbraw/zinc/82/87/83/408828783.db2.gz RXIYTKGMAUEIKU-UHFFFAOYSA-N 0 3 312.366 1.959 20 5 DDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290800155 408834757 /nfs/dbraw/zinc/83/47/57/408834757.db2.gz PRVWCPXDYMNSOC-MNOVXSKESA-N 0 3 319.365 1.152 20 5 DDBDHN CC(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000276382882 408846841 /nfs/dbraw/zinc/84/68/41/408846841.db2.gz QIOGZTPTDFESMR-UHFFFAOYSA-N 0 3 306.366 1.733 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000194743059 163295205 /nfs/dbraw/zinc/29/52/05/163295205.db2.gz IRVMIZCJAASGPA-ZDUSSCGKSA-N 0 3 318.377 1.993 20 5 DDBDHN CCOc1ccc(C(=O)N2C[C@@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000236902982 163366005 /nfs/dbraw/zinc/36/60/05/163366005.db2.gz SZCLCAYXTZHWTQ-MNOVXSKESA-N 0 3 307.350 1.816 20 5 DDBDHN CN1CCC(CC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000291971724 408956063 /nfs/dbraw/zinc/95/60/63/408956063.db2.gz QBOJJNBQNHCJQR-UHFFFAOYSA-N 0 3 305.378 1.985 20 5 DDBDHN COCCN1CC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000286412620 408980777 /nfs/dbraw/zinc/98/07/77/408980777.db2.gz AUYSGCATKYGCIS-SECBINFHSA-N 0 3 323.378 1.732 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000277683321 408992048 /nfs/dbraw/zinc/99/20/48/408992048.db2.gz YVQYFMWGTAKHRO-NSHDSACASA-N 0 3 319.361 1.984 20 5 DDBDHN CO[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000282271340 409023609 /nfs/dbraw/zinc/02/36/09/409023609.db2.gz HPWSVYHUXSHRAZ-NWANDNLSSA-N 0 3 324.377 1.834 20 5 DDBDHN CC(C)[C@@]1(CO)CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000293241508 409073635 /nfs/dbraw/zinc/07/36/35/409073635.db2.gz YYSOWAHRKPNYKB-INIZCTEOSA-N 0 3 323.393 1.487 20 5 DDBDHN C[C@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000283556769 409175450 /nfs/dbraw/zinc/17/54/50/409175450.db2.gz UJRWLWHIQMPZKZ-JTQLQIEISA-N 0 3 324.356 1.778 20 5 DDBDHN CN1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)C1 ZINC000294096092 409239722 /nfs/dbraw/zinc/23/97/22/409239722.db2.gz KMHJTBZXUVJSQB-INIZCTEOSA-N 0 3 318.377 1.735 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](CO)[C@H]1CCOC1 ZINC000280289004 409284848 /nfs/dbraw/zinc/28/48/48/409284848.db2.gz MLYKVLYAPJTEON-JSGCOSHPSA-N 0 3 324.377 1.728 20 5 DDBDHN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CCN(C2CC2)C1 ZINC000295255408 409398417 /nfs/dbraw/zinc/39/84/17/409398417.db2.gz FNNBPGDCEZCLCJ-LLVKDONJSA-N 0 3 318.377 1.733 20 5 DDBDHN COc1cccc([C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000322156803 164045670 /nfs/dbraw/zinc/04/56/70/164045670.db2.gz IWVYPYURAVWQPT-BXUZGUMPSA-N 0 3 320.349 1.512 20 5 DDBDHN CN(C)CCN(C(=O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000356876853 164134586 /nfs/dbraw/zinc/13/45/86/164134586.db2.gz DCDNEBUUBHOMKG-UHFFFAOYSA-N 0 3 307.350 1.526 20 5 DDBDHN CCN(CCN1CCCCCC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000331479667 409558015 /nfs/dbraw/zinc/55/80/15/409558015.db2.gz JFWKFUGOTRWCHM-UHFFFAOYSA-N 0 3 323.397 1.666 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000346229934 409870104 /nfs/dbraw/zinc/87/01/04/409870104.db2.gz SOBAOSOLUBAVQR-NSHDSACASA-N 0 3 317.349 1.460 20 5 DDBDHN CCOc1cc(OC[C@H](O)CN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000357452061 410049487 /nfs/dbraw/zinc/04/94/87/410049487.db2.gz KVLSWSWFCBFFIU-GFCCVEGCSA-N 0 3 310.350 1.827 20 5 DDBDHN CCN1CC[C@@H]2OCCN(CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000339393321 410154944 /nfs/dbraw/zinc/15/49/44/410154944.db2.gz FOCNWHNXAFSCCW-IRXDYDNUSA-N 0 3 319.405 1.932 20 5 DDBDHN CCN1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000299085520 410514962 /nfs/dbraw/zinc/51/49/62/410514962.db2.gz YXWZUGSFOVURAF-UHFFFAOYSA-N 0 3 323.397 1.070 20 5 DDBDHN C[C@H](N[C@@H](C)[C@H]1CCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000337230279 410663832 /nfs/dbraw/zinc/66/38/32/410663832.db2.gz VTSRBBVFJCKHIZ-SRVKXCTJSA-N 0 3 307.350 1.936 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(C2CC2)CC1 ZINC000301081875 410652034 /nfs/dbraw/zinc/65/20/34/410652034.db2.gz FZGWSQOIQOASGO-UHFFFAOYSA-N 0 3 318.377 1.993 20 5 DDBDHN CN1CCC[C@@]2(CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)C1 ZINC000356294373 410950082 /nfs/dbraw/zinc/95/00/82/410950082.db2.gz SJMWREFAEPGLKD-MRXNPFEDSA-N 0 3 318.377 1.735 20 5 DDBDHN C[C@@H]1C[C@@H](CO)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000344133178 410981242 /nfs/dbraw/zinc/98/12/42/410981242.db2.gz PVXWHSINWAOKJG-RDBSUJKOSA-N 0 3 324.377 1.427 20 5 DDBDHN CNc1nccc(C(=O)NCCN2CCCC2(C)C)c1[N+](=O)[O-] ZINC000579972207 422867204 /nfs/dbraw/zinc/86/72/04/422867204.db2.gz QSQAUFSTHVHJGD-UHFFFAOYSA-N 0 3 321.381 1.636 20 5 DDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000364922471 418822624 /nfs/dbraw/zinc/82/26/24/418822624.db2.gz XPQSYRDAPVZYSX-MNOVXSKESA-N 0 3 319.365 1.271 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000365668958 418892660 /nfs/dbraw/zinc/89/26/60/418892660.db2.gz FRJSIHHGNJGEEN-QWHCGFSZSA-N 0 3 319.361 1.496 20 5 DDBDHN Cc1cc(OCC(=O)N[C@@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000431832375 229061597 /nfs/dbraw/zinc/06/15/97/229061597.db2.gz GASWBTRWRKLIQC-GFCCVEGCSA-N 0 3 319.361 1.635 20 5 DDBDHN NCc1cn([C@@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000415122365 419954463 /nfs/dbraw/zinc/95/44/63/419954463.db2.gz IFIBBJGSHYNXIU-CQSZACIVSA-N 0 3 316.365 1.482 20 5 DDBDHN CCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000429164020 419980745 /nfs/dbraw/zinc/98/07/45/419980745.db2.gz BPCXGBOOWMRTGI-UHFFFAOYSA-N 0 3 308.338 1.121 20 5 DDBDHN C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)CN1 ZINC000420244625 420165683 /nfs/dbraw/zinc/16/56/83/420165683.db2.gz YTGBFJXMMUZKLR-ZJUUUORDSA-N 0 3 303.322 1.831 20 5 DDBDHN CCc1ccccc1[C@@H](N)CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000423938220 420276899 /nfs/dbraw/zinc/27/68/99/420276899.db2.gz ISSIYEGDTGPRBE-NSHDSACASA-N 0 3 303.322 1.310 20 5 DDBDHN C[C@@H]1CCN(CCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000525291526 421285312 /nfs/dbraw/zinc/28/53/12/421285312.db2.gz IIPWSALUPBIWIJ-GFCCVEGCSA-N 0 3 307.350 1.432 20 5 DDBDHN CC(COC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000497207504 421386969 /nfs/dbraw/zinc/38/69/69/421386969.db2.gz HOGKVDNZZSRZNF-GUBZILKMSA-N 0 3 304.343 1.744 20 5 DDBDHN CO[C@@H](C)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000515467034 421505252 /nfs/dbraw/zinc/50/52/52/421505252.db2.gz KLHQKZJBZIYOMK-NSHDSACASA-N 0 3 316.379 1.383 20 5 DDBDHN CCS(=O)(=O)CCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515498963 421506046 /nfs/dbraw/zinc/50/60/46/421506046.db2.gz LXAJLJZVSQKAQD-CYBMUJFWSA-N 0 3 312.391 1.997 20 5 DDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)N1CCC(C)CC1 ZINC000520868750 421766966 /nfs/dbraw/zinc/76/69/66/421766966.db2.gz UZVBJEQVAJKOKG-LBPRGKRZSA-N 0 3 308.382 1.784 20 5 DDBDHN Cc1c(CNC[C@H](O)COC2CCOCC2)cccc1[N+](=O)[O-] ZINC000521031132 421770562 /nfs/dbraw/zinc/77/05/62/421770562.db2.gz RIDUMRRKTLWQQC-AWEZNQCLSA-N 0 3 324.377 1.549 20 5 DDBDHN CCOc1cc(CN2C[C@H](O)[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000573016327 421899665 /nfs/dbraw/zinc/89/96/65/421899665.db2.gz OBWCLAVLZLMYCB-KBPBESRZSA-N 0 3 309.366 1.100 20 5 DDBDHN CS(=O)(=O)CC1(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000583451482 422169769 /nfs/dbraw/zinc/16/97/69/422169769.db2.gz WHESYDPWIKSCQZ-CYBMUJFWSA-N 0 3 324.402 1.997 20 5 DDBDHN Cc1c(CN)c(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)nn1C ZINC000595960984 422359257 /nfs/dbraw/zinc/35/92/57/422359257.db2.gz ZOAVPOCZJGRSTB-UHFFFAOYSA-N 0 3 317.349 1.965 20 5 DDBDHN CNc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000314828410 271014119 /nfs/dbraw/zinc/01/41/19/271014119.db2.gz FPZUMGHRGAJKMC-LBPRGKRZSA-N 0 3 306.366 1.803 20 5 DDBDHN CNc1nc(C(=O)NCC2(N(C)C)CCC2)ccc1[N+](=O)[O-] ZINC000456019446 273975495 /nfs/dbraw/zinc/97/54/95/273975495.db2.gz GCBFYBYDJPQXMR-UHFFFAOYSA-N 0 3 307.354 1.246 20 5 DDBDHN CNc1nc(C(=O)NC[C@H](CC(C)C)N(C)C)ccc1[N+](=O)[O-] ZINC000455637729 273975640 /nfs/dbraw/zinc/97/56/40/273975640.db2.gz JNOYQCUJUOIZDF-NSHDSACASA-N 0 3 323.397 1.738 20 5 DDBDHN CCS(=O)(=O)C[C@H](C)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449138124 280005185 /nfs/dbraw/zinc/00/51/85/280005185.db2.gz HGWKBIXLHSDJMH-NEPJUHHUSA-N 0 3 314.407 1.939 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CCN1CCCC1 ZINC000089899613 281027740 /nfs/dbraw/zinc/02/77/40/281027740.db2.gz SEVRQHMOCSPFQM-UHFFFAOYSA-N 0 3 320.393 1.869 20 5 DDBDHN CNc1c(C(=O)N2CC[C@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000322068699 298259566 /nfs/dbraw/zinc/25/95/66/298259566.db2.gz WIDLFFWMHAHJKK-LBPRGKRZSA-N 0 3 318.377 1.947 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000363170891 300225889 /nfs/dbraw/zinc/22/58/89/300225889.db2.gz PGSSJMWTZHYTPP-OAHLLOKOSA-N 0 3 302.334 1.945 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2CCN3CCC2CC3)c([N+](=O)[O-])c1 ZINC000368044108 300939189 /nfs/dbraw/zinc/93/91/89/300939189.db2.gz RBCJQCHYTXNGLS-UHFFFAOYSA-N 0 3 306.322 1.783 20 5 DDBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@@H](n3cncn3)C2)c1 ZINC000368412119 301022471 /nfs/dbraw/zinc/02/24/71/301022471.db2.gz RCNQNIBISWBXIF-CYBMUJFWSA-N 0 3 303.322 1.512 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC23CCOCC3)c1 ZINC000368893132 301102547 /nfs/dbraw/zinc/10/25/47/301102547.db2.gz AQHOFBBJLJFWFB-CQSZACIVSA-N 0 3 322.361 1.589 20 5 DDBDHN C[C@H](CO)N1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000368950328 301108995 /nfs/dbraw/zinc/10/89/95/301108995.db2.gz MEDIJGQWJUOIKM-CQSZACIVSA-N 0 3 323.393 1.362 20 5 DDBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000521672132 302878943 /nfs/dbraw/zinc/87/89/43/302878943.db2.gz OPMSHGIVHKSCGB-VXGBXAGGSA-N 0 3 308.382 1.926 20 5 DDBDHN C[C@H](O)[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000533539687 303320437 /nfs/dbraw/zinc/32/04/37/303320437.db2.gz GTLRIYNNDSIICG-GZBFAFLISA-N 0 3 324.377 1.427 20 5 DDBDHN COCCN(CCN(C)C)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000558690602 303779490 /nfs/dbraw/zinc/77/94/90/303779490.db2.gz LTFJGCSHPNZXMZ-ZDUSSCGKSA-N 0 3 323.393 1.735 20 5 DDBDHN CCn1nccc1CCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367254243 307089858 /nfs/dbraw/zinc/08/98/58/307089858.db2.gz WALWFYGIZUNUBV-AWEZNQCLSA-N 0 3 318.381 1.887 20 5 DDBDHN CCOc1cc(CN2CC[C@H](CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000368572164 307105595 /nfs/dbraw/zinc/10/55/95/307105595.db2.gz GFKZPIUPSHKIQD-GFCCVEGCSA-N 0 3 307.350 1.691 20 5 DDBDHN O=C(CCN1C[C@@H](O)C2(CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000372297512 307167916 /nfs/dbraw/zinc/16/79/16/307167916.db2.gz VKEVZPPGVCPWTH-CYBMUJFWSA-N 0 3 305.334 1.380 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCC[C@H](CO)C2)c1 ZINC000374047151 307200433 /nfs/dbraw/zinc/20/04/33/307200433.db2.gz ANYIWNKVDZIZNQ-DZGCQCFKSA-N 0 3 324.377 1.429 20 5 DDBDHN CO[C@H]1C[C@@H](N(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000510122545 307398837 /nfs/dbraw/zinc/39/88/37/307398837.db2.gz YGYYFUSYZRVEEK-KCQAQPDRSA-N 0 3 310.350 1.444 20 5 DDBDHN CCC[C@@H](C)[C@@H](CO)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000564090222 307990931 /nfs/dbraw/zinc/99/09/31/307990931.db2.gz MVTMJRUKAYPYOT-IUODEOHRSA-N 0 3 323.393 1.944 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CN3CCC2CC3)c1 ZINC000565196689 308024956 /nfs/dbraw/zinc/02/49/56/308024956.db2.gz LJENIQNSWRWVRW-INIZCTEOSA-N 0 3 319.361 1.090 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CC[C@@H](C[NH3+])C1 ZINC000382482722 325745703 /nfs/dbraw/zinc/74/57/03/325745703.db2.gz XOMGIOGIROLBDC-MNOVXSKESA-N 0 3 313.379 1.309 20 5 DDBDHN COc1cccc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000584451939 337341476 /nfs/dbraw/zinc/34/14/76/337341476.db2.gz HMMGGYBVYLCLSK-CMPLNLGQSA-N 0 3 305.334 1.380 20 5 DDBDHN Cc1nc(NCCCCN2C[C@@H](C)O[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000297616130 534488229 /nfs/dbraw/zinc/48/82/29/534488229.db2.gz VZNVLUZVPQHFFN-VXGBXAGGSA-N 0 3 323.397 1.995 20 5 DDBDHN Cc1c(C(=O)NCC2CCN(CCO)CC2)cccc1[N+](=O)[O-] ZINC000160611555 525607902 /nfs/dbraw/zinc/60/79/02/525607902.db2.gz MGWVDIZJYMTMDY-UHFFFAOYSA-N 0 3 321.377 1.337 20 5 DDBDHN O=[N+]([O-])c1cc2c(ncnc2NCCN2CCC(O)CC2)s1 ZINC000295928440 534880392 /nfs/dbraw/zinc/88/03/92/534880392.db2.gz GZKFZAHJHCSCSQ-UHFFFAOYSA-N 0 3 323.378 1.468 20 5 DDBDHN O=C(N[C@H]1CCCN(C2CCCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000154597721 527024953 /nfs/dbraw/zinc/02/49/53/527024953.db2.gz IDWQGOLMSMBWTE-NSHDSACASA-N 0 3 321.381 1.845 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000425061080 528544489 /nfs/dbraw/zinc/54/44/89/528544489.db2.gz XWYHJDRSEWJRDU-CMPLNLGQSA-N 0 3 321.381 1.437 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000425061080 528544495 /nfs/dbraw/zinc/54/44/95/528544495.db2.gz XWYHJDRSEWJRDU-CMPLNLGQSA-N 0 3 321.381 1.437 20 5 DDBDHN CC1(C)CCCN[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000422939075 528949367 /nfs/dbraw/zinc/94/93/67/528949367.db2.gz QRNNQQDFFZYPJH-AWEZNQCLSA-N 0 3 320.393 1.901 20 5 DDBDHN CC[C@@H](NC[C@@H](O)COCCOC)c1cccc([N+](=O)[O-])c1 ZINC000295006336 529174753 /nfs/dbraw/zinc/17/47/53/529174753.db2.gz OTMDUFWOXRYANU-HUUCEWRRSA-N 0 3 312.366 1.659 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC(C3CCOCC3)C2)cc1 ZINC000799998805 700179894 /nfs/dbraw/zinc/17/98/94/700179894.db2.gz LZBCIFGXIXPLCJ-MRXNPFEDSA-N 0 3 306.362 1.987 20 5 DDBDHN O=C1CC2(CN1)CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776589198 698123014 /nfs/dbraw/zinc/12/30/14/698123014.db2.gz QASLLYROGGUDRN-CQSZACIVSA-N 0 3 319.361 1.230 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(OCCO)CC2)cc1 ZINC000776592935 698124102 /nfs/dbraw/zinc/12/41/02/698124102.db2.gz DDAZZAVXJXTHLO-OAHLLOKOSA-N 0 3 310.350 1.102 20 5 DDBDHN NC(=O)C[C@@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750053815 700201393 /nfs/dbraw/zinc/20/13/93/700201393.db2.gz UPLYFANXJRGWGU-GXTWGEPZSA-N 0 3 307.350 1.358 20 5 DDBDHN C[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCN1C ZINC000782525592 698734431 /nfs/dbraw/zinc/73/44/31/698734431.db2.gz YPTXGEYFYZZIBP-NSHDSACASA-N 0 3 324.356 1.698 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@H](O)c1ccco1 ZINC000783910604 698891133 /nfs/dbraw/zinc/89/11/33/698891133.db2.gz WFUMKVQBGDWYTD-YPMHNXCESA-N 0 3 322.317 1.251 20 5 DDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731455910 699529143 /nfs/dbraw/zinc/52/91/43/699529143.db2.gz XGRXQMVBAAUZTA-JSGCOSHPSA-N 0 3 323.324 1.327 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CCO)C1CC1 ZINC000771806284 701331723 /nfs/dbraw/zinc/33/17/23/701331723.db2.gz VEPGHMNCYXTXOI-AWEZNQCLSA-N 0 3 307.350 1.592 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])[C@H]2C1 ZINC000868519334 702173870 /nfs/dbraw/zinc/17/38/70/702173870.db2.gz AOSYIMLSSGVSQW-YPMHNXCESA-N 0 3 307.325 1.439 20 5 DDBDHN Cc1cccc([C@H](CC(=O)OCC(C)[N+](=O)[O-])NC(N)=O)c1 ZINC000813102400 702290912 /nfs/dbraw/zinc/29/09/12/702290912.db2.gz QYDUGOPXSYZJOK-JQWIXIFHSA-N 0 3 309.322 1.303 20 5 DDBDHN CC(COC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)[N+](=O)[O-] ZINC000813103401 702291906 /nfs/dbraw/zinc/29/19/06/702291906.db2.gz PTTIWIMJWCXTQH-MFKMUULPSA-N 0 3 322.317 1.626 20 5 DDBDHN CC(COC(=O)Cc1csc(N2CCCC2=O)n1)[N+](=O)[O-] ZINC000813104163 702292001 /nfs/dbraw/zinc/29/20/01/702292001.db2.gz XGZXENPVFMFKOY-MRVPVSSYSA-N 0 3 313.335 1.021 20 5 DDBDHN CC(=O)[C@H]1CC(C(=O)OCC(C)[N+](=O)[O-])=NN1c1ccccc1 ZINC000813105167 702292933 /nfs/dbraw/zinc/29/29/33/702292933.db2.gz WMROVKVWZHRNQE-IINYFYTJSA-N 0 3 319.317 1.419 20 5 DDBDHN CC(COC(=O)c1cn(Cc2cccc(F)c2)nn1)[N+](=O)[O-] ZINC000813112896 702298354 /nfs/dbraw/zinc/29/83/54/702298354.db2.gz VZDUDWVEYXMJPU-SECBINFHSA-N 0 3 308.269 1.288 20 5 DDBDHN CC(COC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O)[N+](=O)[O-] ZINC000813114499 702299179 /nfs/dbraw/zinc/29/91/79/702299179.db2.gz RTUVUCMBHVIFJP-CABZTGNLSA-N 0 3 310.281 1.387 20 5 DDBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCc3nnnn3CC2)c1 ZINC000817418680 702376101 /nfs/dbraw/zinc/37/61/01/702376101.db2.gz BIXDSXIZWRBCQE-SNVBAGLBSA-N 0 3 322.756 1.729 20 5 DDBDHN CC[C@@H](C(=O)OCC(C)[N+](=O)[O-])N(C)C(=O)OC(C)(C)C ZINC000851037036 703774902 /nfs/dbraw/zinc/77/49/02/703774902.db2.gz PRJUELBHVOTJTF-ZJUUUORDSA-N 0 3 304.343 1.840 20 5 DDBDHN CO[C@]1(CO)CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852410510 704036705 /nfs/dbraw/zinc/03/67/05/704036705.db2.gz CDPYSWPJECBZCH-LSDHHAIUSA-N 0 3 310.350 1.102 20 5 DDBDHN CN1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCC1(C)C ZINC000871157159 704233908 /nfs/dbraw/zinc/23/39/08/704233908.db2.gz VGEFGTOTQRVBKW-UHFFFAOYSA-N 0 3 324.356 1.872 20 5 DDBDHN Cc1noc(CONC(=N)COC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000853728798 704306353 /nfs/dbraw/zinc/30/63/53/704306353.db2.gz ODPPKGNDGAIPTL-SECBINFHSA-N 0 3 314.298 1.085 20 5 DDBDHN CCN(C(=O)Cn1c(C)ncc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000821400461 704404105 /nfs/dbraw/zinc/40/41/05/704404105.db2.gz BRSMSNAVIMIKQL-UHFFFAOYSA-N 0 3 309.370 1.042 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874848150 705201133 /nfs/dbraw/zinc/20/11/33/705201133.db2.gz RUWYMZWEGNRLQP-UONOGXRCSA-N 0 3 304.350 1.607 20 5 DDBDHN CCN(C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000823920840 705339848 /nfs/dbraw/zinc/33/98/48/705339848.db2.gz FKVXQOOPXLXMJN-LLVKDONJSA-N 0 3 307.354 1.735 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000827626288 706039600 /nfs/dbraw/zinc/03/96/00/706039600.db2.gz VHAHOYQPYMMQOU-SOUVJXGZSA-N 0 3 303.362 1.909 20 5 DDBDHN Cc1nccnc1[C@@H](C)NC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877828626 706226027 /nfs/dbraw/zinc/22/60/27/706226027.db2.gz MRSRCFCXTZBYCF-VOMCLLRMSA-N 0 3 302.338 1.944 20 5 DDBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000867307885 706954815 /nfs/dbraw/zinc/95/48/15/706954815.db2.gz DQPLNOAVOBHSPB-WPRPVWTQSA-N 0 3 319.408 1.369 20 5 DDBDHN CC(COC(=O)c1cn(CCc2ccccc2)nn1)[N+](=O)[O-] ZINC000835454636 707255515 /nfs/dbraw/zinc/25/55/15/707255515.db2.gz LGFRBFYEVMMCDO-LLVKDONJSA-N 0 3 304.306 1.343 20 5 DDBDHN Cc1ccc(CNC[C@H](O)C[C@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000872231537 707340528 /nfs/dbraw/zinc/34/05/28/707340528.db2.gz MKLLOCLYPHDGLS-ZBFHGGJFSA-N 0 3 308.378 1.905 20 5 DDBDHN Cc1ccc(CNC[C@H](O)COC2CCOCC2)cc1[N+](=O)[O-] ZINC000872231971 707340580 /nfs/dbraw/zinc/34/05/80/707340580.db2.gz VTSKCNSLQZCRQL-AWEZNQCLSA-N 0 3 324.377 1.549 20 5 DDBDHN O=CN1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000839017788 708015943 /nfs/dbraw/zinc/01/59/43/708015943.db2.gz DEEUMHTVZUFSJL-UHFFFAOYSA-N 0 3 320.349 1.088 20 5 DDBDHN CC(C)CN1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000912727835 713076326 /nfs/dbraw/zinc/07/63/26/713076326.db2.gz KYFPEOXXDBCLRE-UHFFFAOYSA-N 0 3 305.338 1.909 20 5 DDBDHN C[C@]1(NC(=O)Cc2cccc([N+](=O)[O-])c2)CN2CCC1CC2 ZINC000892781786 710497578 /nfs/dbraw/zinc/49/75/78/710497578.db2.gz QMHKCBRXWVZPRU-INIZCTEOSA-N 0 3 303.362 1.738 20 5 DDBDHN COc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000928438772 713196129 /nfs/dbraw/zinc/19/61/29/713196129.db2.gz GVCNLTZQIVFTAR-ZYHUDNBSSA-N 0 3 307.350 1.734 20 5 DDBDHN COc1cc(OCC(=O)N[C@@H]2CCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000928442799 713198027 /nfs/dbraw/zinc/19/80/27/713198027.db2.gz CFFOFIPZLTVHGL-CMPLNLGQSA-N 0 3 323.349 1.191 20 5 DDBDHN COc1cc(C(=O)N[C@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000928457580 713205498 /nfs/dbraw/zinc/20/54/98/713205498.db2.gz XJIMFBWRCBCTSG-ONGXEEELSA-N 0 3 323.349 1.434 20 5 DDBDHN C[C@@H]1[C@@H](Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CCN1C ZINC000895737462 711590932 /nfs/dbraw/zinc/59/09/32/711590932.db2.gz VRHXZQUCZAELLD-ZJUUUORDSA-N 0 3 319.365 1.290 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1NC1CCN(C[C@H]2CCCO2)CC1 ZINC000917064383 713480568 /nfs/dbraw/zinc/48/05/68/713480568.db2.gz RCDNBZUTEYOIJW-GFCCVEGCSA-N 0 3 309.370 1.384 20 5 DDBDHN COc1cccc([C@H]2[C@H](NCC[N+](=O)[O-])CCN2C2CC2)c1 ZINC000930353776 713812010 /nfs/dbraw/zinc/81/20/10/713812010.db2.gz KGWLYTVHIBTOOE-CVEARBPZSA-N 0 3 305.378 1.839 20 5 DDBDHN Cc1ccc([C@@H](C)N2C(=O)N[C@@H](CN(C)C)C2=O)cc1[N+](=O)[O-] ZINC000924795670 714665966 /nfs/dbraw/zinc/66/59/66/714665966.db2.gz YLSIEAWDXAECII-PWSUYJOCSA-N 0 3 320.349 1.446 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](Cc3nccs3)C2)n1 ZINC000934335271 714797823 /nfs/dbraw/zinc/79/78/23/714797823.db2.gz ZRWIMXSLZADQFF-NSHDSACASA-N 0 3 307.379 1.812 20 5 DDBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CC2CC(F)(F)C2)C1 ZINC000950055940 720469961 /nfs/dbraw/zinc/46/99/61/720469961.db2.gz RKYPCKAHJVTGOI-VXGBXAGGSA-N 0 3 317.336 1.230 20 5 DDBDHN Cc1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)ns1 ZINC001126372073 739555618 /nfs/dbraw/zinc/55/56/18/739555618.db2.gz LYQBARUXZHASKO-UHFFFAOYSA-N 0 3 320.374 1.879 20 5 DDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CN(C/C=C/Cl)C2)CC1 ZINC001035706699 751792785 /nfs/dbraw/zinc/79/27/85/751792785.db2.gz JSJRUIPKEIYKLT-IYODYBDTSA-N 0 3 313.785 1.329 20 5 DDBDHN Cn1ccc(CNc2cc3c(cc2[N+](=O)[O-])CNC3)cc1=O ZINC001168403906 744071876 /nfs/dbraw/zinc/07/18/76/744071876.db2.gz WMKJJFVLMHBGHA-UHFFFAOYSA-N 0 3 300.318 1.509 20 5 DDBDHN CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)CN1CCCC1 ZINC001106776948 746060532 /nfs/dbraw/zinc/06/05/32/746060532.db2.gz HXFBZERUMCHOAX-UHFFFAOYSA-N 0 3 320.393 1.951 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC001128503193 748211228 /nfs/dbraw/zinc/21/12/28/748211228.db2.gz QKNYAUMEIGOGLI-UHFFFAOYSA-N 0 3 306.347 1.571 20 5 DDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2cc(Br)no2)C1 ZINC001168968351 762158296 /nfs/dbraw/zinc/15/82/96/762158296.db2.gz XXMMJJLCUPAXQR-SFYZADRCSA-N 0 3 304.144 1.972 20 5 DDBDHN Cc1c(CN[C@@H](C)[C@@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC001120040842 758199129 /nfs/dbraw/zinc/19/91/29/758199129.db2.gz PWSMXUJXVKSHKC-WCQYABFASA-N 0 3 312.391 1.816 20 5 DDBDHN CC(C)N(C)CC(=O)N(C)CCCNc1ccc([N+](=O)[O-])cn1 ZINC001109463753 763731589 /nfs/dbraw/zinc/73/15/89/763731589.db2.gz WFMHIXZLICELPG-UHFFFAOYSA-N 0 3 323.397 1.590 20 5 DDBDHN COc1ccc(C[C@H](C)NCC(=O)NCC(C)C)c([N+](=O)[O-])c1 ZINC001170306212 766224286 /nfs/dbraw/zinc/22/42/86/766224286.db2.gz RVQJRQAWWKOLRU-LBPRGKRZSA-N 0 3 323.393 1.896 20 5 DDBDHN CCCN(C)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097053681 771600102 /nfs/dbraw/zinc/60/01/02/771600102.db2.gz XAYLIBCXLWURNG-HDJSIYSDSA-N 0 3 320.393 1.996 20 5 DDBDHN C[C@@]1(NC(=O)c2cccc([N+](=O)[O-])c2N)CN2CCC1CC2 ZINC001146873313 772974645 /nfs/dbraw/zinc/97/46/45/772974645.db2.gz GRRMFPUEBIIAOD-OAHLLOKOSA-N 0 3 304.350 1.391 20 5 DDBDHN CCN(CC)CC(=O)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094442149 775880192 /nfs/dbraw/zinc/88/01/92/775880192.db2.gz PPFGZTOEADBFIV-UHFFFAOYSA-N 0 3 308.382 1.855 20 5 DDBDHN Cc1cnc(NCCCNC(=O)CN(C)C(C)C)c([N+](=O)[O-])c1 ZINC001094456391 775895764 /nfs/dbraw/zinc/89/57/64/775895764.db2.gz DPQSKAYBXNYFEP-UHFFFAOYSA-N 0 3 323.397 1.557 20 5 DDBDHN CCN(CC)CC(=O)NCCN(CC)c1ncccc1[N+](=O)[O-] ZINC001100540224 776285494 /nfs/dbraw/zinc/28/54/94/776285494.db2.gz FKBSCCJBFSYWKN-UHFFFAOYSA-N 0 3 323.397 1.274 20 5 DDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1[n-]c(=O)c2c1CC[NH2+]C2 ZINC001173231250 777063787 /nfs/dbraw/zinc/06/37/87/777063787.db2.gz LCGCPZYMTWMHQL-SNVBAGLBSA-N 0 3 302.334 1.946 20 5 DDBDHN CCCN(C)CC(=O)N(C)CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001101705723 777415691 /nfs/dbraw/zinc/41/56/91/777415691.db2.gz UDTJEBZXMXEPID-UHFFFAOYSA-N 0 3 323.397 1.510 20 5 DDBDHN Cc1nonc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001177447033 778614408 /nfs/dbraw/zinc/61/44/08/778614408.db2.gz CNXLEEPCIXRQJK-UHFFFAOYSA-N 0 3 319.321 1.196 20 5 DDBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cnc[nH]1 ZINC001267433920 838034635 /nfs/dbraw/zinc/03/46/35/838034635.db2.gz DYBVNOZNEDFQKA-UHFFFAOYSA-N 0 3 317.349 1.109 20 5 DDBDHN Cc1c(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)cnn1C ZINC001123592282 859317853 /nfs/dbraw/zinc/31/78/53/859317853.db2.gz RFCOMKFPGSQEQZ-UHFFFAOYSA-N 0 3 317.349 1.156 20 5 DDBDHN Cc1ncncc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001124113679 859586667 /nfs/dbraw/zinc/58/66/67/859586667.db2.gz TZIVFXZVJMERHH-UHFFFAOYSA-N 0 3 315.333 1.213 20 5 DDBDHN CC(C)Oc1nc(NC(=N)N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001157916404 864262103 /nfs/dbraw/zinc/26/21/03/864262103.db2.gz WTHOCDSRPAJWRD-UHFFFAOYSA-N 0 3 322.369 1.371 20 5 DDBDHN C[C@@H](Nc1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1)[C@H]1CNCCO1 ZINC001159499416 865354957 /nfs/dbraw/zinc/35/49/57/865354957.db2.gz PXUDDCGYDIRBIR-JDRNFJBZSA-N 0 3 321.381 1.311 20 5 DDBDHN CCOCCOCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001333004872 866331806 /nfs/dbraw/zinc/33/18/06/866331806.db2.gz IZIWOFUTZPHKKG-UHFFFAOYSA-N 0 3 312.370 1.481 20 5 DDBDHN Cc1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc(C)n1 ZINC001321061663 867274566 /nfs/dbraw/zinc/27/45/66/867274566.db2.gz IFDRBCSCTBSYNN-UHFFFAOYSA-N 0 3 321.358 1.970 20 5 DDBDHN Cc1cc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001321061663 867274583 /nfs/dbraw/zinc/27/45/83/867274583.db2.gz IFDRBCSCTBSYNN-UHFFFAOYSA-N 0 3 321.358 1.970 20 5 DDBDHN CN(c1cc2ccccc2c([N+](=O)[O-])c1)S(=O)(=O)CCN ZINC001164299957 869100194 /nfs/dbraw/zinc/10/01/94/869100194.db2.gz DSXYKSOZVQJCIB-UHFFFAOYSA-N 0 3 309.347 1.473 20 5 DDBDHN COc1cncc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001336817353 869163425 /nfs/dbraw/zinc/16/34/25/869163425.db2.gz CUVQRQQRIDQCSC-HNNXBMFYSA-N 0 3 303.318 1.822 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCCN1C ZINC001339153803 870375113 /nfs/dbraw/zinc/37/51/13/870375113.db2.gz YQPGEOSSTIAXNR-GFCCVEGCSA-N 0 3 307.350 1.818 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1COC2(CNC2)C1 ZINC001342216128 872079005 /nfs/dbraw/zinc/07/90/05/872079005.db2.gz UTMWCCVOWOSIFU-GFCCVEGCSA-N 0 3 319.361 1.381 20 5 DDBDHN O=C(N[C@H]1COC2(CNC2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001344000628 872831539 /nfs/dbraw/zinc/83/15/39/872831539.db2.gz UDRXDYJUBYQEFO-MRVPVSSYSA-N 0 3 311.725 1.109 20 5 DDBDHN Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)OCC(C)[N+](=O)[O-])C2 ZINC001344996308 873215171 /nfs/dbraw/zinc/21/51/71/873215171.db2.gz DBGXKHLACGMXDR-BMIGLBTASA-N 0 3 307.302 1.675 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)CNCCO2 ZINC001355170180 878453664 /nfs/dbraw/zinc/45/36/64/878453664.db2.gz NTKUVAAHUGBLOT-UHFFFAOYSA-N 0 3 305.334 1.189 20 5 DDBDHN CC(C)OCC(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001235097869 888409367 /nfs/dbraw/zinc/40/93/67/888409367.db2.gz DBOBDQFSBXDIQZ-UHFFFAOYSA-N 0 3 323.393 1.958 20 5 DDBDHN NC[C@@H](N)c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001249127736 893832365 /nfs/dbraw/zinc/83/23/65/893832365.db2.gz WJLAGMXCCWSGCG-LLVKDONJSA-N 0 3 306.329 1.792 20 5 DDBDHN CC[C@H](NCCN1C(=O)N[C@@H](C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000459392955 529601549 /nfs/dbraw/zinc/60/15/49/529601549.db2.gz XAHILMXUBKWYFG-GWCFXTLKSA-N 0 3 320.349 1.576 20 5 DDBDHN CN1C[C@@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425054901 529822663 /nfs/dbraw/zinc/82/26/63/529822663.db2.gz FWSLFWCRJBETSP-IINYFYTJSA-N 0 3 307.325 1.900 20 5 DDBDHN C[NH2+]C[C@H](C)C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000193278120 290717577 /nfs/dbraw/zinc/71/75/77/290717577.db2.gz KNNOXCZINXJJLQ-VIFPVBQESA-N 0 3 315.395 1.345 20 5 DDBDHN CN1CCC(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000446880897 530047894 /nfs/dbraw/zinc/04/78/94/530047894.db2.gz KDUZDYUFKUNYTM-UHFFFAOYSA-N 0 3 303.362 1.821 20 5 DDBDHN CC1(C)[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000296177544 282366847 /nfs/dbraw/zinc/36/68/47/282366847.db2.gz LFUOTXCCEZNVNU-MRVWCRGKSA-N 0 3 319.361 1.597 20 5 DDBDHN Cc1nn(CCC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000330889533 232139785 /nfs/dbraw/zinc/13/97/85/232139785.db2.gz BJXQGIRQTPTWCZ-GXFFZTMASA-N 0 3 323.397 1.397 20 5 DDBDHN CN(CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1CC1 ZINC000272609233 210008766 /nfs/dbraw/zinc/00/87/66/210008766.db2.gz WLCRWKONJCWMRM-UHFFFAOYSA-N 0 3 321.362 1.424 20 5 DDBDHN Cc1ccc([C@@H](C)NCCN2C(=O)N[C@@H](C)C2=O)cc1[N+](=O)[O-] ZINC000459388729 233153525 /nfs/dbraw/zinc/15/35/25/233153525.db2.gz PFINXEZRLVIDKS-MNOVXSKESA-N 0 3 320.349 1.494 20 5 DDBDHN CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000358458809 299159018 /nfs/dbraw/zinc/15/90/18/299159018.db2.gz CJAGPNDINHXRHK-OAHLLOKOSA-N 0 3 303.362 1.832 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000287100141 219313173 /nfs/dbraw/zinc/31/31/73/219313173.db2.gz LIENOEOBFRFOQW-PWSUYJOCSA-N 0 3 321.381 1.579 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000287100141 219313176 /nfs/dbraw/zinc/31/31/76/219313176.db2.gz LIENOEOBFRFOQW-PWSUYJOCSA-N 0 3 321.381 1.579 20 5 DDBDHN NC1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCCC1 ZINC000194281521 186276005 /nfs/dbraw/zinc/27/60/05/186276005.db2.gz WQWJMNKEWWRHNT-UHFFFAOYSA-N 0 3 318.377 1.515 20 5 DDBDHN COc1ccc(NC(=O)CCN2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000041886263 352317022 /nfs/dbraw/zinc/31/70/22/352317022.db2.gz ORSGZGVQTWBHPD-LLVKDONJSA-N 0 3 323.349 1.389 20 5 DDBDHN C[C@@H]1CCCN(CCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000046863488 352466380 /nfs/dbraw/zinc/46/63/80/352466380.db2.gz KZKZRBGGVBEHAY-CYBMUJFWSA-N 0 3 321.377 1.822 20 5 DDBDHN CCNC(=O)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665095 191210887 /nfs/dbraw/zinc/21/08/87/191210887.db2.gz CCOAJPLKMIWBFW-LLVKDONJSA-N 0 3 307.354 1.002 20 5 DDBDHN CN1CCC[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000052502284 352613020 /nfs/dbraw/zinc/61/30/20/352613020.db2.gz HOTCTJGMJXNREZ-GFCCVEGCSA-N 0 3 321.381 1.400 20 5 DDBDHN COCCN(C)CCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173087114 198183902 /nfs/dbraw/zinc/18/39/02/198183902.db2.gz NXJBEWYRLZVNHB-UHFFFAOYSA-N 0 3 309.366 1.222 20 5 DDBDHN CN1CCN(CC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000057151550 352801411 /nfs/dbraw/zinc/80/14/11/352801411.db2.gz GMFNFAXCWLZLBW-UHFFFAOYSA-N 0 3 319.409 1.454 20 5 DDBDHN O=[N+]([O-])c1ccc(NCCCN2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000059363437 352862267 /nfs/dbraw/zinc/86/22/67/352862267.db2.gz SAZNGPKQFNGWJT-UHFFFAOYSA-N 0 3 324.337 1.762 20 5 DDBDHN CN(C)[C@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000068341137 353104742 /nfs/dbraw/zinc/10/47/42/353104742.db2.gz QPFVXQLQTYYFIR-ZDUSSCGKSA-N 0 3 320.393 1.949 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000068486296 353115102 /nfs/dbraw/zinc/11/51/02/353115102.db2.gz PBGFSQMVGYBMMQ-LBPRGKRZSA-N 0 3 307.350 1.770 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000068226857 353097528 /nfs/dbraw/zinc/09/75/28/353097528.db2.gz KVLSOTTXTCJKNJ-RYUDHWBXSA-N 0 3 323.397 1.336 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000073786984 353270873 /nfs/dbraw/zinc/27/08/73/353270873.db2.gz UKLBSJLPLOQZBI-CQSZACIVSA-N 0 3 306.366 1.878 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(O)CCN(C)CC1 ZINC000077658632 353480633 /nfs/dbraw/zinc/48/06/33/353480633.db2.gz XULDFRNQUHWPNT-UHFFFAOYSA-N 0 3 322.365 1.481 20 5 DDBDHN CCCCN(C)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080223515 353597603 /nfs/dbraw/zinc/59/76/03/353597603.db2.gz SFUYWPNXCHPANG-UHFFFAOYSA-N 0 3 322.409 1.879 20 5 DDBDHN CCc1nn(C)c(NC2CCN(CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000094135119 353911048 /nfs/dbraw/zinc/91/10/48/353911048.db2.gz CWRULBBZMQIXGF-UHFFFAOYSA-N 0 3 324.429 1.329 20 5 DDBDHN CSc1ccc(C(=O)N2CCN(C)C[C@H]2CN)cc1[N+](=O)[O-] ZINC000162527738 354246069 /nfs/dbraw/zinc/24/60/69/354246069.db2.gz BEBKQBFTKWBDBA-LLVKDONJSA-N 0 3 324.406 1.032 20 5 DDBDHN CSc1ccc(C(=O)N2CCN(C)C[C@@H]2CN)cc1[N+](=O)[O-] ZINC000162527851 354246419 /nfs/dbraw/zinc/24/64/19/354246419.db2.gz BEBKQBFTKWBDBA-NSHDSACASA-N 0 3 324.406 1.032 20 5 DDBDHN CCOc1ccc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590045422 355043261 /nfs/dbraw/zinc/04/32/61/355043261.db2.gz RZCDKFQHFUJLNX-GXTWGEPZSA-N 0 3 319.361 1.770 20 5 DDBDHN CC(C)(NC(=O)COC1(C)CNC1)c1ccc([N+](=O)[O-])cc1 ZINC000592540148 355621876 /nfs/dbraw/zinc/62/18/76/355621876.db2.gz XCIZUJGIKJXNGA-UHFFFAOYSA-N 0 3 307.350 1.325 20 5 DDBDHN Cc1n[nH]c(C(=O)N[C@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594418451 356204011 /nfs/dbraw/zinc/20/40/11/356204011.db2.gz JBAFFCZSRDJNJH-WDEREUQCSA-N 0 3 307.354 1.373 20 5 DDBDHN COc1cc(C[NH2+]CC2CCC(O)CC2)c([N+](=O)[O-])cc1[O-] ZINC000594990814 356369449 /nfs/dbraw/zinc/36/94/49/356369449.db2.gz AMYBHZXBTRZADG-UHFFFAOYSA-N 0 3 310.350 1.950 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CC[C@@H](CO)O1 ZINC000595038852 356375118 /nfs/dbraw/zinc/37/51/18/356375118.db2.gz PFXIALWRYMCNAT-RTXFEEFZSA-N 0 3 310.350 1.794 20 5 DDBDHN NC1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC2(CCC2)C1 ZINC000595247940 356417234 /nfs/dbraw/zinc/41/72/34/356417234.db2.gz CARVYXAHFUNEDH-UHFFFAOYSA-N 0 3 303.362 1.915 20 5 DDBDHN O=C(CN[C@H](CO)C1CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595617472 356579065 /nfs/dbraw/zinc/57/90/65/356579065.db2.gz ULDVRZQIAPWILE-CQSZACIVSA-N 0 3 319.361 1.235 20 5 DDBDHN COc1ccc(OCCN2CCC[C@@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000595766525 356643988 /nfs/dbraw/zinc/64/39/88/356643988.db2.gz OPCYQTCGDIKFMT-WCQYABFASA-N 0 3 310.350 1.827 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](F)[C@H](N)C1 ZINC000595905845 356699722 /nfs/dbraw/zinc/69/97/22/356699722.db2.gz HMHBBSVTEANNCF-CHWSQXEVSA-N 0 3 324.356 1.603 20 5 DDBDHN CN(C)CCn1cc(Nc2c(Cl)cncc2[N+](=O)[O-])cn1 ZINC000596096073 356770780 /nfs/dbraw/zinc/77/07/80/356770780.db2.gz AECCNKKUESXSGO-UHFFFAOYSA-N 0 3 310.745 1.567 20 5 DDBDHN C[C@@H](CN1CCC(C)CC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596490026 356895525 /nfs/dbraw/zinc/89/55/25/356895525.db2.gz ZTAUZOUTNMAMMS-NSHDSACASA-N 0 3 321.381 1.621 20 5 DDBDHN CC(C)[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCN1 ZINC000598574137 357638202 /nfs/dbraw/zinc/63/82/02/357638202.db2.gz KNTZEKUNLKBTNQ-LBPRGKRZSA-N 0 3 307.350 1.430 20 5 DDBDHN CCOc1ccc([C@H](C)NCCN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000599094339 357814545 /nfs/dbraw/zinc/81/45/45/357814545.db2.gz UILYBRRFSYGYAP-JSGCOSHPSA-N 0 3 323.393 1.711 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)C1(F)F ZINC000599512295 357960666 /nfs/dbraw/zinc/96/06/66/357960666.db2.gz HVGFEBSTIIXEKL-UMNHJUIQSA-N 0 3 318.324 1.375 20 5 DDBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1(C)COC1 ZINC000599571622 357979623 /nfs/dbraw/zinc/97/96/23/357979623.db2.gz OAGMOXKFALISAH-GFCCVEGCSA-N 0 3 310.350 1.303 20 5 DDBDHN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000179863079 199088916 /nfs/dbraw/zinc/08/89/16/199088916.db2.gz NHURVNNSUMGQCF-GFCCVEGCSA-N 0 3 321.377 1.962 20 5 DDBDHN Cn1cc(CN(CC(C)(C)O)C2CCOCC2)c([N+](=O)[O-])n1 ZINC000602779069 359184774 /nfs/dbraw/zinc/18/47/74/359184774.db2.gz LDNHMVTVNDKTRA-UHFFFAOYSA-N 0 3 312.370 1.080 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(O[C@@H]2CCOC2)CC1 ZINC000602779862 359185110 /nfs/dbraw/zinc/18/51/10/359185110.db2.gz SXTDUOUOMTYRDE-CQSZACIVSA-N 0 3 324.381 1.370 20 5 DDBDHN CNc1ccc(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000609383604 360303086 /nfs/dbraw/zinc/30/30/86/360303086.db2.gz WIKONWGIJSNAOG-CYBMUJFWSA-N 0 3 318.377 1.851 20 5 DDBDHN Cc1ccnc(N2CCCN(C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000610489302 360450385 /nfs/dbraw/zinc/45/03/85/360450385.db2.gz ZPNJQYQRZLQPJQ-AWEZNQCLSA-N 0 3 320.393 1.989 20 5 DDBDHN CCO[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000612030393 360894166 /nfs/dbraw/zinc/89/41/66/360894166.db2.gz UMSDEWJTKNQMKR-KGLIPLIRSA-N 0 3 324.377 1.835 20 5 DDBDHN Cc1cc([C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)o1 ZINC000195269203 201369774 /nfs/dbraw/zinc/36/97/74/201369774.db2.gz OVUOJSOKKALNDF-ZWNOBZJWSA-N 0 3 308.338 1.713 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CC3=CCCOC3)C2)nc1 ZINC000093534724 193266590 /nfs/dbraw/zinc/26/65/90/193266590.db2.gz YRXHSAWVDPWVEX-CYBMUJFWSA-N 0 3 304.350 1.823 20 5 DDBDHN O=C1CC2(CN1)CCN(CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000267644878 206192803 /nfs/dbraw/zinc/19/28/03/206192803.db2.gz JRAQPXRHUYIWRZ-UHFFFAOYSA-N 0 3 319.361 1.576 20 5 DDBDHN C[C@H]1CN(C)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337193873 249382687 /nfs/dbraw/zinc/38/26/87/249382687.db2.gz YMVZCMNTSQGRSA-LBPRGKRZSA-N 0 3 306.366 1.559 20 5 DDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1CCN(C)CC1 ZINC000043180121 183343802 /nfs/dbraw/zinc/34/38/02/183343802.db2.gz VBMIRNIGRYVGGP-UHFFFAOYSA-N 0 3 306.366 1.830 20 5 DDBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](N(C)C)C1 ZINC000109809731 194288146 /nfs/dbraw/zinc/28/81/46/194288146.db2.gz OGQIRIHORVTNAE-STQMWFEESA-N 0 3 320.393 1.948 20 5 DDBDHN CN(C)CCOCCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413232221 224158544 /nfs/dbraw/zinc/15/85/44/224158544.db2.gz UGTDOONJGQKHHF-UHFFFAOYSA-N 0 3 322.287 1.999 20 5 DDBDHN CCS(=O)(=O)C[C@@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000121050690 195288078 /nfs/dbraw/zinc/28/80/78/195288078.db2.gz WUYZNTMKSOUTIG-LLVKDONJSA-N 0 3 300.380 1.550 20 5 DDBDHN C[C@@H](NC[C@@H](O)C1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294686979 533412963 /nfs/dbraw/zinc/41/29/63/533412963.db2.gz IJQJHJDDHTTYCH-MEBBXXQBSA-N 0 3 309.366 1.615 20 5 DDBDHN CNCCN(C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000070303998 406813501 /nfs/dbraw/zinc/81/35/01/406813501.db2.gz MEHZXURAUJOLEO-UHFFFAOYSA-N 0 3 321.786 1.397 20 5 DDBDHN CN(C)C[C@@H]1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000066948522 407264437 /nfs/dbraw/zinc/26/44/37/407264437.db2.gz YPAJGKLHNJOLAM-ZDUSSCGKSA-N 0 3 321.377 1.916 20 5 DDBDHN O=C(N[C@H]1CCN(CC2CCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000122563768 407304725 /nfs/dbraw/zinc/30/47/25/407304725.db2.gz UWRYLVYRPKVYLO-NSHDSACASA-N 0 3 307.354 1.312 20 5 DDBDHN O=C1[C@H](NCCn2cccn2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109133136 407394895 /nfs/dbraw/zinc/39/48/95/407394895.db2.gz VHYIJQGKKTVZDO-CQSZACIVSA-N 0 3 315.333 1.186 20 5 DDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000126251670 407408827 /nfs/dbraw/zinc/40/88/27/407408827.db2.gz ROQGBYJPHYNDFM-MFKMUULPSA-N 0 3 306.366 1.589 20 5 DDBDHN CSCC[C@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000151686826 407478074 /nfs/dbraw/zinc/47/80/74/407478074.db2.gz VCCSVNJUWGZUMJ-LBPRGKRZSA-N 0 3 312.395 1.203 20 5 DDBDHN NC(=O)CCC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271246342 407593897 /nfs/dbraw/zinc/59/38/97/407593897.db2.gz QOACMYKZJMJTRX-OAHLLOKOSA-N 0 3 321.377 1.606 20 5 DDBDHN Cc1cc(CN(C)C)cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000271449816 407688171 /nfs/dbraw/zinc/68/81/71/407688171.db2.gz VGOOMWQCKSAYMM-UHFFFAOYSA-N 0 3 317.349 1.951 20 5 DDBDHN CCc1nn(C)c(NC[C@H](O)CN2CCCCC2)c1[N+](=O)[O-] ZINC000179569250 407806879 /nfs/dbraw/zinc/80/68/79/407806879.db2.gz BNRPSWFQWSLQAL-NSHDSACASA-N 0 3 311.386 1.149 20 5 DDBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCCNCC1 ZINC000237999449 407864971 /nfs/dbraw/zinc/86/49/71/407864971.db2.gz KVPSFKFSAHMOAF-UHFFFAOYSA-N 0 3 306.366 1.609 20 5 DDBDHN CNC(=O)c1ccc(N(C)[C@@H]2CCN(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000267599234 407848241 /nfs/dbraw/zinc/84/82/41/407848241.db2.gz JBFABSXIDMFDPH-DGCLKSJQSA-N 0 3 320.393 1.731 20 5 DDBDHN Cc1nc([C@@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000268497002 408070833 /nfs/dbraw/zinc/07/08/33/408070833.db2.gz RIWYDAFKHZSMSX-LLVKDONJSA-N 0 3 305.342 1.097 20 5 DDBDHN Cc1n[nH]c([C@@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000268497002 408070838 /nfs/dbraw/zinc/07/08/38/408070838.db2.gz RIWYDAFKHZSMSX-LLVKDONJSA-N 0 3 305.342 1.097 20 5 DDBDHN Cc1nnc([C@@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000268497002 408070845 /nfs/dbraw/zinc/07/08/45/408070845.db2.gz RIWYDAFKHZSMSX-LLVKDONJSA-N 0 3 305.342 1.097 20 5 DDBDHN CCOC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182220560 408100088 /nfs/dbraw/zinc/10/00/88/408100088.db2.gz CLQOHDSKLRIMPB-ZDUSSCGKSA-N 0 3 324.377 1.835 20 5 DDBDHN COC[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000136650410 408115319 /nfs/dbraw/zinc/11/53/19/408115319.db2.gz SMHOVADPEDMQJX-IINYFYTJSA-N 0 3 307.350 1.936 20 5 DDBDHN CC(C)(C)[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1O ZINC000273244434 408123294 /nfs/dbraw/zinc/12/32/94/408123294.db2.gz GERNIQHYFXWIGT-UONOGXRCSA-N 0 3 323.393 1.485 20 5 DDBDHN O=[N+]([O-])c1ccccc1CN1CCN(C2CCOCC2)CC1 ZINC000175492825 408146734 /nfs/dbraw/zinc/14/67/34/408146734.db2.gz PVKTZNZNFYFHGS-UHFFFAOYSA-N 0 3 305.378 1.891 20 5 DDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1ccccc1[N+](=O)[O-] ZINC000263646379 408188172 /nfs/dbraw/zinc/18/81/72/408188172.db2.gz ASRWJJVSPZDJET-OAHLLOKOSA-N 0 3 320.393 1.949 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000269459841 408317584 /nfs/dbraw/zinc/31/75/84/408317584.db2.gz HMGNVBZGGJFJQY-UWVGGRQHSA-N 0 3 321.381 1.796 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000269459870 408317785 /nfs/dbraw/zinc/31/77/85/408317785.db2.gz HMPWLOGPXKTCJK-JTQLQIEISA-N 0 3 309.370 1.608 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1[N+](=O)[O-] ZINC000269328127 408269831 /nfs/dbraw/zinc/26/98/31/408269831.db2.gz DMSYRUHWKIRJJX-WDEREUQCSA-N 0 3 321.381 1.750 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H](C)N(C)C ZINC000274246862 408340409 /nfs/dbraw/zinc/34/04/09/408340409.db2.gz HGNCKZDFZFIUMI-JTQLQIEISA-N 0 3 322.365 1.216 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCCn3ccnc3)C2)nc1 ZINC000183190397 408347250 /nfs/dbraw/zinc/34/72/50/408347250.db2.gz MLOLLJIUQJUKTM-CYBMUJFWSA-N 0 3 316.365 1.763 20 5 DDBDHN CCN(CCO)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000274471171 408417409 /nfs/dbraw/zinc/41/74/09/408417409.db2.gz ZEHHHVWTZRPRDK-UHFFFAOYSA-N 0 3 314.317 1.170 20 5 DDBDHN CN1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@@H]1c1ccccc1 ZINC000270338982 408493004 /nfs/dbraw/zinc/49/30/04/408493004.db2.gz ZBGUPNRJIBOLBA-AAEUAGOBSA-N 0 3 314.349 1.824 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000177052898 408509162 /nfs/dbraw/zinc/50/91/62/408509162.db2.gz MAQJNIZZMIJFJP-AAEUAGOBSA-N 0 3 303.362 1.879 20 5 DDBDHN C[C@H](CN(C)CCn1cc([N+](=O)[O-])ccc1=O)c1nccs1 ZINC000183927740 408509424 /nfs/dbraw/zinc/50/94/24/408509424.db2.gz LMFATYZBRXUZCH-LLVKDONJSA-N 0 3 322.390 1.949 20 5 DDBDHN C[C@@H](Cn1cccn1)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000265106071 408553438 /nfs/dbraw/zinc/55/34/38/408553438.db2.gz YEHDEBRLBSHNKF-LBPRGKRZSA-N 0 3 317.349 1.432 20 5 DDBDHN C[C@H](O)[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248456964 408570553 /nfs/dbraw/zinc/57/05/53/408570553.db2.gz LZPBWQMQNGGYDP-RWMBFGLXSA-N 0 3 310.350 1.037 20 5 DDBDHN COC[C@H](O)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000265429942 408647836 /nfs/dbraw/zinc/64/78/36/408647836.db2.gz RPYXXZDQSXKHMD-CQSZACIVSA-N 0 3 320.349 1.092 20 5 DDBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000163658099 408785566 /nfs/dbraw/zinc/78/55/66/408785566.db2.gz HEQZTKKFBGNFQS-GHMZBOCLSA-N 0 3 309.370 1.179 20 5 DDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291227830 408862851 /nfs/dbraw/zinc/86/28/51/408862851.db2.gz WLLPQRIILGESLJ-MNOVXSKESA-N 0 3 319.365 1.152 20 5 DDBDHN CN(C)CC1(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000281601457 408895669 /nfs/dbraw/zinc/89/56/69/408895669.db2.gz DEJGYOVNDFTFAF-UHFFFAOYSA-N 0 3 317.349 1.685 20 5 DDBDHN CO[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000281674570 408907933 /nfs/dbraw/zinc/90/79/33/408907933.db2.gz LWIYKCOUAJRHLT-MELADBBJSA-N 0 3 324.377 1.834 20 5 DDBDHN C[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])CN(C)C ZINC000291754078 408917580 /nfs/dbraw/zinc/91/75/80/408917580.db2.gz GBDPCWPNDCNNHJ-MRVPVSSYSA-N 0 3 321.424 1.669 20 5 DDBDHN CC(C)[C@H](CNc1ccc(N)cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000286235338 408946201 /nfs/dbraw/zinc/94/62/01/408946201.db2.gz UIPRUCHEKFYFIL-INIZCTEOSA-N 0 3 321.425 1.861 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000277567938 408966541 /nfs/dbraw/zinc/96/65/41/408966541.db2.gz KWUKJXAVIGEOEJ-WDEREUQCSA-N 0 3 319.361 1.958 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000277638654 408982708 /nfs/dbraw/zinc/98/27/08/408982708.db2.gz TUHZCGDKHVQUOJ-QMTHXVAHSA-N 0 3 319.361 1.816 20 5 DDBDHN CCC[C@@]1(CO)CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000277653831 408985612 /nfs/dbraw/zinc/98/56/12/408985612.db2.gz DFIYREIQWVKNCT-INIZCTEOSA-N 0 3 321.377 1.821 20 5 DDBDHN CC[C@@H](CO)N1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277847515 409023113 /nfs/dbraw/zinc/02/31/13/409023113.db2.gz NBSFEGKTQSZELB-NSHDSACASA-N 0 3 319.365 1.364 20 5 DDBDHN COC(=O)c1cc(C)nc(NC2(CN(C)C)CCC2)c1[N+](=O)[O-] ZINC000287708252 409079580 /nfs/dbraw/zinc/07/95/80/409079580.db2.gz KOPMRTCMTZIGKR-UHFFFAOYSA-N 0 3 322.365 1.981 20 5 DDBDHN C[C@H](NC[C@H]1CN(C)CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293668331 409158071 /nfs/dbraw/zinc/15/80/71/409158071.db2.gz JPMLFWIXVHELFN-AAEUAGOBSA-N 0 3 307.398 1.073 20 5 DDBDHN C[C@H](NCC1(C(N)=O)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293740352 409171132 /nfs/dbraw/zinc/17/11/32/409171132.db2.gz NNJLDZCQQQWVSH-JTQLQIEISA-N 0 3 322.365 1.110 20 5 DDBDHN CC(C)[C@@H](CNc1ccc([N+](=O)[O-])nc1)N1CCN(C)CC1 ZINC000315971645 164020989 /nfs/dbraw/zinc/02/09/89/164020989.db2.gz VHMLGBSBUNAPCE-CQSZACIVSA-N 0 3 307.398 1.674 20 5 DDBDHN Cc1nc(N2CCN(C3CCOCC3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000296794509 409640423 /nfs/dbraw/zinc/64/04/23/409640423.db2.gz OLFJDDMFURQBLY-NSHDSACASA-N 0 3 321.381 1.383 20 5 DDBDHN C[C@]1(O)CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000331651137 409735722 /nfs/dbraw/zinc/73/57/22/409735722.db2.gz MAMWMEURASMNDR-HNNXBMFYSA-N 0 3 321.333 1.350 20 5 DDBDHN Cc1n[nH]c(C(=O)NCc2ccc(CN(C)C)cc2)c1[N+](=O)[O-] ZINC000342913462 409993862 /nfs/dbraw/zinc/99/38/62/409993862.db2.gz INSAJCBIWVQLDQ-UHFFFAOYSA-N 0 3 317.349 1.618 20 5 DDBDHN COC(=O)[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000346636823 410051099 /nfs/dbraw/zinc/05/10/99/410051099.db2.gz HYRLTIBECBWALE-VXGBXAGGSA-N 0 3 308.334 1.857 20 5 DDBDHN CC1(C)CCCN(CCNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357680308 410183619 /nfs/dbraw/zinc/18/36/19/410183619.db2.gz LWFHITKRTIZAMC-UHFFFAOYSA-N 0 3 321.381 1.623 20 5 DDBDHN C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C ZINC000339632121 410343417 /nfs/dbraw/zinc/34/34/17/410343417.db2.gz WSMZFLLBZJAREM-STQMWFEESA-N 0 3 320.393 1.948 20 5 DDBDHN CC[C@@H](C)N[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccco1 ZINC000343265599 410291972 /nfs/dbraw/zinc/29/19/72/410291972.db2.gz OTDNGIWXMVPTBA-ZJUUUORDSA-N 0 3 320.353 1.523 20 5 DDBDHN C[C@@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000357851016 410298550 /nfs/dbraw/zinc/29/85/50/410298550.db2.gz MXMUNAPCPSCMLY-WDEREUQCSA-N 0 3 322.365 1.378 20 5 DDBDHN C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N1CCCC[C@H]1C ZINC000347012135 410311295 /nfs/dbraw/zinc/31/12/95/410311295.db2.gz LSJBRUAPOIIYCR-GHMZBOCLSA-N 0 3 309.370 1.321 20 5 DDBDHN Cc1c(CNC(=O)NC[C@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000358577102 410483377 /nfs/dbraw/zinc/48/33/77/410483377.db2.gz FYMMWVQENRUMEJ-CYBMUJFWSA-N 0 3 306.366 1.797 20 5 DDBDHN Cc1ccc([C@@H](C)NC(=O)C(N)C(F)(F)F)cc1[N+](=O)[O-] ZINC000353010356 410731481 /nfs/dbraw/zinc/73/14/81/410731481.db2.gz IPVWZNXSAACCGH-GMSGAONNSA-N 0 3 305.256 1.970 20 5 DDBDHN CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000347900118 410781454 /nfs/dbraw/zinc/78/14/54/410781454.db2.gz SQKHEAKVRGXFHN-ZDUSSCGKSA-N 0 3 318.377 1.702 20 5 DDBDHN CC[C@H](NCCn1ccc([N+](=O)[O-])n1)c1c(C)nn(C)c1C ZINC000347901359 410783599 /nfs/dbraw/zinc/78/35/99/410783599.db2.gz KKXUYLKMVAPLPY-LBPRGKRZSA-N 0 3 306.370 1.883 20 5 DDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N1CCC[C@H](C)C1 ZINC000330586043 410800238 /nfs/dbraw/zinc/80/02/38/410800238.db2.gz SIRJJKNKNLOYKY-RYUDHWBXSA-N 0 3 308.382 1.784 20 5 DDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)N1CCC[C@H](C)C1 ZINC000356150102 410863351 /nfs/dbraw/zinc/86/33/51/410863351.db2.gz HTHWUJYCCXUDRA-WDEREUQCSA-N 0 3 309.370 1.179 20 5 DDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000356466628 411045521 /nfs/dbraw/zinc/04/55/21/411045521.db2.gz YAEFJMJWABGLCA-JTQLQIEISA-N 0 3 307.354 1.075 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C2=CCN(C)CC2)n1 ZINC000331210783 411020643 /nfs/dbraw/zinc/02/06/43/411020643.db2.gz RGGGKRSARPCJRU-JTQLQIEISA-N 0 3 307.354 1.191 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)C2CCN(CC)CC2)n1 ZINC000331216034 411023690 /nfs/dbraw/zinc/02/36/90/411023690.db2.gz VRKRVQGBADLOBN-UHFFFAOYSA-N 0 3 309.370 1.368 20 5 DDBDHN O=C(CN1CCNC[C@@H]1C(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000580431963 422932534 /nfs/dbraw/zinc/93/25/34/422932534.db2.gz ALGQTGIUEJEDHY-LLVKDONJSA-N 0 3 314.292 1.072 20 5 DDBDHN C[C@H]1NCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000417232140 225256775 /nfs/dbraw/zinc/25/67/75/225256775.db2.gz LZFFDIXVFZYAPM-VXGBXAGGSA-N 0 3 306.366 1.529 20 5 DDBDHN COc1cccc(C(=O)NC[C@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC000192509380 418523731 /nfs/dbraw/zinc/52/37/31/418523731.db2.gz PJHQRRMROYJXFQ-JTQLQIEISA-N 0 3 307.350 1.816 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000374387549 418525291 /nfs/dbraw/zinc/52/52/91/418525291.db2.gz BMJJYZXWCHCHJB-IIAWOOMASA-N 0 3 306.362 1.987 20 5 DDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H](CO)CN1CCCCC1 ZINC000296486196 418588075 /nfs/dbraw/zinc/58/80/75/418588075.db2.gz XTLUGZHXGBKUJV-CYBMUJFWSA-N 0 3 322.365 1.563 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1NC[C@H]1CN3CCC[C@@H]3CO1)CCN2 ZINC000365542872 418873710 /nfs/dbraw/zinc/87/37/10/418873710.db2.gz CBCZIJHOAXOHMA-NEPJUHHUSA-N 0 3 318.377 1.838 20 5 DDBDHN COc1ccc(NC(=O)CCN2C[C@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000411420294 418902249 /nfs/dbraw/zinc/90/22/49/418902249.db2.gz JIUDIBBQMPHMIF-GHMZBOCLSA-N 0 3 323.349 1.387 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN[C@@H]2c3ccccc3CC[C@@H]2CO)n1 ZINC000365268469 418847443 /nfs/dbraw/zinc/84/74/43/418847443.db2.gz PMQOJHMPHHDWMM-CJNGLKHVSA-N 0 3 316.361 1.677 20 5 DDBDHN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCCN1C ZINC000420994805 419435385 /nfs/dbraw/zinc/43/53/85/419435385.db2.gz CQVSQESLCBRAPC-LBPRGKRZSA-N 0 3 306.366 1.559 20 5 DDBDHN CN(C)C[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CCO1 ZINC000413132353 419771257 /nfs/dbraw/zinc/77/12/57/419771257.db2.gz UAPVZYUPQLPEIK-LBPRGKRZSA-N 0 3 316.361 1.910 20 5 DDBDHN O=C(CCN1CCc2n[nH]nc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000429282337 419995126 /nfs/dbraw/zinc/99/51/26/419995126.db2.gz DVGMPWRTTOMLOW-UHFFFAOYSA-N 0 3 316.321 1.100 20 5 DDBDHN CCOc1ccc([C@@H](C)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423550559 420079028 /nfs/dbraw/zinc/07/90/28/420079028.db2.gz FQCURCUGPJNMRL-YPMHNXCESA-N 0 3 309.366 1.633 20 5 DDBDHN COCCNCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423833149 420215707 /nfs/dbraw/zinc/21/57/07/420215707.db2.gz ATKTXDCFXBYBJJ-UHFFFAOYSA-N 0 3 301.730 1.100 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNC[C@@](C)(F)C1 ZINC000420347141 420227618 /nfs/dbraw/zinc/22/76/18/420227618.db2.gz XPDJPCSGOQFPCO-OAHLLOKOSA-N 0 3 324.356 1.475 20 5 DDBDHN O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CCCCN3C3CC3)nn21 ZINC000433807537 420254988 /nfs/dbraw/zinc/25/49/88/420254988.db2.gz IHFIIOWOFJLRIC-LBPRGKRZSA-N 0 3 316.365 2.066 20 5 DDBDHN CN(C[C@H]1CCCN1C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000420786167 420390350 /nfs/dbraw/zinc/39/03/50/420390350.db2.gz VDEQVSSSRLUHBI-CQSZACIVSA-N 0 3 306.366 1.830 20 5 DDBDHN COC1CCN(CCNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301954592 230001890 /nfs/dbraw/zinc/00/18/90/230001890.db2.gz KGQOCIAQTOJBEY-UHFFFAOYSA-N 0 3 320.353 1.160 20 5 DDBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](n3ccnn3)C2)c1 ZINC000425498857 420399660 /nfs/dbraw/zinc/39/96/60/420399660.db2.gz HMCLGOCVRQBANO-CQSZACIVSA-N 0 3 317.349 1.902 20 5 DDBDHN Cc1cc(N2CCN(CC(C)(C)O)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000302521284 230280448 /nfs/dbraw/zinc/28/04/48/230280448.db2.gz ITVOOOVPJJDDQT-LBPRGKRZSA-N 0 3 308.382 1.580 20 5 DDBDHN CN(C)CCOCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000492344005 420530676 /nfs/dbraw/zinc/53/06/76/420530676.db2.gz AUJNAMJVFWQJCQ-BQYQJAHWSA-N 0 3 307.350 1.302 20 5 DDBDHN C[C@H]1CCCN(CCNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000439102609 420479714 /nfs/dbraw/zinc/47/97/14/420479714.db2.gz TXGOKJUPKPOUGA-NSHDSACASA-N 0 3 306.366 1.838 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@@H](O)[C@H](CO)C3)o2)cc1 ZINC000459718022 420856319 /nfs/dbraw/zinc/85/63/19/420856319.db2.gz XHCSYBPJSKIOHS-SWLSCSKDSA-N 0 3 318.329 1.640 20 5 DDBDHN O=[N+]([O-])c1ccccc1/C=C\CNCCN1CCC(O)CC1 ZINC000449648046 421044700 /nfs/dbraw/zinc/04/47/00/421044700.db2.gz RRFUUHQQJOMHEZ-HYXAFXHYSA-N 0 3 305.378 1.654 20 5 DDBDHN C[C@@]1(CO)CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000546810964 421311405 /nfs/dbraw/zinc/31/14/05/421311405.db2.gz DRBANJHDLSYPCQ-DOMZBBRYSA-N 0 3 310.350 1.181 20 5 DDBDHN CCCCN(C)CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000524286357 421257478 /nfs/dbraw/zinc/25/74/78/421257478.db2.gz JOTAABDTDJWQRM-UHFFFAOYSA-N 0 3 323.393 1.994 20 5 DDBDHN C[C@@H]1C[C@@H](CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000554446018 421641111 /nfs/dbraw/zinc/64/11/11/421641111.db2.gz WZZJRKOKFUQTTN-KGLIPLIRSA-N 0 3 320.393 1.927 20 5 DDBDHN CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H](CN)C1 ZINC000579235363 422731273 /nfs/dbraw/zinc/73/12/73/422731273.db2.gz HRCKGEYTWMUTGR-GFCCVEGCSA-N 0 3 318.333 1.056 20 5 DDBDHN C[C@H](CN(C)C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000346128418 272420546 /nfs/dbraw/zinc/42/05/46/272420546.db2.gz DPFKSRGMJAPMJZ-SECBINFHSA-N 0 3 309.322 1.046 20 5 DDBDHN CN(C)CCOC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000330733942 276762628 /nfs/dbraw/zinc/76/26/28/276762628.db2.gz KNIOSOQGQULKIY-UHFFFAOYSA-N 0 3 310.354 1.106 20 5 DDBDHN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000451233191 277344766 /nfs/dbraw/zinc/34/47/66/277344766.db2.gz WRRLMLSYVIZGCY-MNOVXSKESA-N 0 3 310.354 1.540 20 5 DDBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)C1CCCC1 ZINC000185388652 289125038 /nfs/dbraw/zinc/12/50/38/289125038.db2.gz BLFJYRGEERIHMA-UHFFFAOYSA-N 0 3 321.381 1.518 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358063746 299062446 /nfs/dbraw/zinc/06/24/46/299062446.db2.gz ZXMZVNHOGRTVFK-MRXNPFEDSA-N 0 3 321.377 1.316 20 5 DDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363094664 300209483 /nfs/dbraw/zinc/20/94/83/300209483.db2.gz GGYUPMQZFODIRT-KBPBESRZSA-N 0 3 320.349 1.580 20 5 DDBDHN CN(C)CCN1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000363663224 300294840 /nfs/dbraw/zinc/29/48/40/300294840.db2.gz ZJYPJCHSCPWLPM-UHFFFAOYSA-N 0 3 320.393 1.304 20 5 DDBDHN CN1CCC2(CCCN2C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000369923747 301240818 /nfs/dbraw/zinc/24/08/18/301240818.db2.gz PCGVKDMFNQBLER-UHFFFAOYSA-N 0 3 319.365 1.504 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@]3(CCCCO3)C2)c1 ZINC000370095056 301274931 /nfs/dbraw/zinc/27/49/31/301274931.db2.gz RDARFGGVVWUZON-LSDHHAIUSA-N 0 3 324.381 1.187 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CC[NH2+]CC2)c1C ZINC000262745708 301859824 /nfs/dbraw/zinc/85/98/24/301859824.db2.gz LGGPXCWNEIMJCK-UHFFFAOYSA-N 0 3 313.379 1.242 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](Oc3ccccc3)C2)n1 ZINC000377967918 302258754 /nfs/dbraw/zinc/25/87/54/302258754.db2.gz SFUOPOIIBMYPHT-AWEZNQCLSA-N 0 3 302.334 1.945 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC([C@H]2CCOC2)CC1 ZINC000378646469 302348607 /nfs/dbraw/zinc/34/86/07/302348607.db2.gz HAQGBYHUAWWYCE-AWEZNQCLSA-N 0 3 321.377 1.505 20 5 DDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCCC12CCN(C)CC2 ZINC000356729447 306861768 /nfs/dbraw/zinc/86/17/68/306861768.db2.gz LZKXWSWCEVLQPC-UHFFFAOYSA-N 0 3 307.354 1.029 20 5 DDBDHN COc1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000364072548 307041158 /nfs/dbraw/zinc/04/11/58/307041158.db2.gz NOHUJLTZLFQGOZ-ZDUSSCGKSA-N 0 3 319.361 1.914 20 5 DDBDHN O=C([C@@H]1CCCCN1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000576875645 308345917 /nfs/dbraw/zinc/34/59/17/308345917.db2.gz GRNBNPDVNWBVER-LBPRGKRZSA-N 0 3 307.354 1.097 20 5 DDBDHN NC[C@@H]1c2ccccc2CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000579717070 308553117 /nfs/dbraw/zinc/55/31/17/308553117.db2.gz XXLDMHWMRPDXCO-LLVKDONJSA-N 0 3 301.306 1.016 20 5 DDBDHN CC1(C)[C@H](O)C[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000584002018 331558640 /nfs/dbraw/zinc/55/86/40/331558640.db2.gz IVIMEYYKTNBHAW-ZIAGYGMSSA-N 0 3 319.361 1.233 20 5 DDBDHN C[C@H]1COCCN1C1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000582853776 337210670 /nfs/dbraw/zinc/21/06/70/337210670.db2.gz LQKSSBKHMOUVHB-LBPRGKRZSA-N 0 3 323.397 1.013 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(c3nnc[nH]3)CC2)c1 ZINC000154428450 527394016 /nfs/dbraw/zinc/39/40/16/527394016.db2.gz YAUBCOUCGLINQN-CQSZACIVSA-N 0 3 317.349 1.626 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(c3nc[nH]n3)CC2)c1 ZINC000154428450 527394019 /nfs/dbraw/zinc/39/40/19/527394019.db2.gz YAUBCOUCGLINQN-CQSZACIVSA-N 0 3 317.349 1.626 20 5 DDBDHN CC(C)(C)[NH2+]CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735623303 598506636 /nfs/dbraw/zinc/50/66/36/598506636.db2.gz LEXCDCGGBFPLKN-UHFFFAOYSA-N 0 3 305.342 1.575 20 5 DDBDHN CC(C)(C)[NH2+]CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735623303 598506638 /nfs/dbraw/zinc/50/66/38/598506638.db2.gz LEXCDCGGBFPLKN-UHFFFAOYSA-N 0 3 305.342 1.575 20 5 DDBDHN COCCN1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000138548370 696861223 /nfs/dbraw/zinc/86/12/23/696861223.db2.gz PUXUHQXETYIBOW-UHFFFAOYSA-N 0 3 322.365 1.018 20 5 DDBDHN COC(=O)[C@]1(C)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776586966 698122569 /nfs/dbraw/zinc/12/25/69/698122569.db2.gz RTDPGTMBFZCJDY-DZGCQCFKSA-N 0 3 308.334 1.513 20 5 DDBDHN NC(=O)C1(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000776591800 698123619 /nfs/dbraw/zinc/12/36/19/698123619.db2.gz OTFHNCMAPBETFS-ZDUSSCGKSA-N 0 3 307.350 1.406 20 5 DDBDHN C[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCN1C ZINC000782525580 698734201 /nfs/dbraw/zinc/73/42/01/698734201.db2.gz YPTXGEYFYZZIBP-LLVKDONJSA-N 0 3 324.356 1.698 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](CCO)C1CC1 ZINC000771798011 701330926 /nfs/dbraw/zinc/33/09/26/701330926.db2.gz DELMONFPCZMVFD-ZDUSSCGKSA-N 0 3 307.350 1.592 20 5 DDBDHN CN(C)C(=O)[C@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839636456 701762024 /nfs/dbraw/zinc/76/20/24/701762024.db2.gz SJTBTCKHEMACLK-GXTWGEPZSA-N 0 3 307.350 1.038 20 5 DDBDHN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](C)CN1Cc1ccccc1 ZINC000839718434 701796126 /nfs/dbraw/zinc/79/61/26/701796126.db2.gz POWFVVJUBHXFIP-RRCSTGOVSA-N 0 3 317.389 1.773 20 5 DDBDHN Cc1cnc(N2CCC(N3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000866212279 706650516 /nfs/dbraw/zinc/65/05/16/706650516.db2.gz KHPRKZCHYFWXTN-UHFFFAOYSA-N 0 3 319.409 1.514 20 5 DDBDHN CC(C)Cn1ncc2cc(C(=O)OCC(C)[N+](=O)[O-])cnc21 ZINC000813100747 702290140 /nfs/dbraw/zinc/29/01/40/702290140.db2.gz WKDSQIBEPZDYAU-JTQLQIEISA-N 0 3 306.322 1.909 20 5 DDBDHN CC(COC(=O)c1cccc(CN2CCOCC2)c1)[N+](=O)[O-] ZINC000813104525 702292197 /nfs/dbraw/zinc/29/21/97/702292197.db2.gz DKIIRQKLSXBNNP-GFCCVEGCSA-N 0 3 308.334 1.341 20 5 DDBDHN CC(COC(=O)CCCN1C(=O)c2ccccc2C1=O)[N+](=O)[O-] ZINC000813105764 702293295 /nfs/dbraw/zinc/29/32/95/702293295.db2.gz UHJADTRLGXUWLY-SNVBAGLBSA-N 0 3 320.301 1.271 20 5 DDBDHN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813110382 702295969 /nfs/dbraw/zinc/29/59/69/702295969.db2.gz ZHNARCPKWDFHDX-QJPTWQEYSA-N 0 3 300.355 1.480 20 5 DDBDHN CC(C)[C@@H](C(=O)OCC(C)[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000813109807 702296010 /nfs/dbraw/zinc/29/60/10/702296010.db2.gz PDRMJRALTXIQOS-NDBYEHHHSA-N 0 3 302.371 1.329 20 5 DDBDHN CC(COC(=O)C1(S(=O)(=O)c2ccccc2)CC1)[N+](=O)[O-] ZINC000813109778 702296519 /nfs/dbraw/zinc/29/65/19/702296519.db2.gz WOPVOGKKIVVQDO-SNVBAGLBSA-N 0 3 313.331 1.201 20 5 DDBDHN C[C@H](CN[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000866311141 706671017 /nfs/dbraw/zinc/67/10/17/706671017.db2.gz QWRCFRPGHZJDRE-VHSXEESVSA-N 0 3 318.370 1.688 20 5 DDBDHN C[C@H]1NCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000843472989 702888747 /nfs/dbraw/zinc/88/87/47/702888747.db2.gz UWVCXJPQQFRJDN-GHMZBOCLSA-N 0 3 317.349 1.153 20 5 DDBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)CN(C)C ZINC000854465636 704401985 /nfs/dbraw/zinc/40/19/85/704401985.db2.gz RYRHXYFXJGLKNV-BIRHUZIMSA-N 0 3 307.350 1.037 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccnc(CO)c3)C2)nc1 ZINC000858455218 704713300 /nfs/dbraw/zinc/71/33/00/704713300.db2.gz KUBBVJSAEYPDMP-LLVKDONJSA-N 0 3 315.333 1.568 20 5 DDBDHN Cc1c(CN2CN(CCN(C)C)C(=O)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000877606880 706157555 /nfs/dbraw/zinc/15/75/55/706157555.db2.gz NQXYDWDPELCWBL-ZDUSSCGKSA-N 0 3 320.393 1.455 20 5 DDBDHN Cn1nccc1[C@@H](O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000927133463 712945886 /nfs/dbraw/zinc/94/58/86/712945886.db2.gz YWJXCQRRHRXNMR-WFASDCNBSA-N 0 3 302.334 1.639 20 5 DDBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)c1F ZINC000839412499 708046911 /nfs/dbraw/zinc/04/69/11/708046911.db2.gz VCLLUWKXOZCPOZ-MFKMUULPSA-N 0 3 307.325 1.818 20 5 DDBDHN COCC[C@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000884101274 708139275 /nfs/dbraw/zinc/13/92/75/708139275.db2.gz STINQADMFGPVGA-AWEZNQCLSA-N 0 3 309.366 1.696 20 5 DDBDHN Cc1cccc(N2CC[C@H]3[C@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC000897220930 708258755 /nfs/dbraw/zinc/25/87/55/708258755.db2.gz ZSKMHWBJKIKQDQ-UONOGXRCSA-N 0 3 305.378 1.939 20 5 DDBDHN Cc1ccc(N2CC[C@@H]3[C@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC000897222603 708259887 /nfs/dbraw/zinc/25/98/87/708259887.db2.gz WCXCMIPNHGEWCN-ZIAGYGMSSA-N 0 3 305.378 1.939 20 5 DDBDHN O=[N+]([O-])c1ncccc1CN1CC[C@H](CN2CCOCC2)C1 ZINC000886021128 708682577 /nfs/dbraw/zinc/68/25/77/708682577.db2.gz PJVCUCHRJZEGKR-CYBMUJFWSA-N 0 3 306.366 1.144 20 5 DDBDHN CO[C@@H]1CCC[C@H]([C@H](CO)NCc2cccnc2[N+](=O)[O-])C1 ZINC000886274571 708734447 /nfs/dbraw/zinc/73/44/47/708734447.db2.gz WIQUUUSAVOSUFN-YUTCNCBUSA-N 0 3 309.366 1.646 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCN1C ZINC000928445237 713199683 /nfs/dbraw/zinc/19/96/83/713199683.db2.gz PQLCXAPPUCZAIA-RISCZKNCSA-N 0 3 316.361 1.758 20 5 DDBDHN CN(C)C1(CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC000894231466 711026060 /nfs/dbraw/zinc/02/60/60/711026060.db2.gz NUBIRSSRXBEQLH-UHFFFAOYSA-N 0 3 316.361 1.953 20 5 DDBDHN COc1cc([C@@H](C)NC[C@@]2(C)CCC(=O)N2)cc([N+](=O)[O-])c1 ZINC000903183441 711057667 /nfs/dbraw/zinc/05/76/67/711057667.db2.gz ONIQFVCFKANMNF-MEBBXXQBSA-N 0 3 307.350 1.923 20 5 DDBDHN COC(=O)N(C)CCN[C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903200826 711062748 /nfs/dbraw/zinc/06/27/48/711062748.db2.gz SRUFIITWFGETHF-SNVBAGLBSA-N 0 3 311.338 1.952 20 5 DDBDHN O=C1N(CCNCc2ccc([N+](=O)[O-])cc2)C[C@@H]2CCCCN12 ZINC000895343275 711489958 /nfs/dbraw/zinc/48/99/58/711489958.db2.gz PSYSBIMPCDWZKD-HNNXBMFYSA-N 0 3 318.377 1.975 20 5 DDBDHN CC(C)(C(=O)NCCn1cc([N+](=O)[O-])cn1)N1CCCCC1 ZINC000907067148 712479092 /nfs/dbraw/zinc/47/90/92/712479092.db2.gz YSIPNQIZRXMHGZ-UHFFFAOYSA-N 0 3 309.370 1.172 20 5 DDBDHN CCn1nccc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126184555 738484592 /nfs/dbraw/zinc/48/45/92/738484592.db2.gz MCRFLXKICZDFFJ-UHFFFAOYSA-N 0 3 317.349 1.331 20 5 DDBDHN O=C(/C=C\c1ccc[nH]1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126239288 738745063 /nfs/dbraw/zinc/74/50/63/738745063.db2.gz WJSKAFCSZACCCL-SREVYHEPSA-N 0 3 314.345 1.842 20 5 DDBDHN Cc1c[nH]nc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126851680 742378863 /nfs/dbraw/zinc/37/88/63/742378863.db2.gz DFLITXKNMHKHCR-UHFFFAOYSA-N 0 3 303.322 1.146 20 5 DDBDHN CCCN(C)CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001095605337 750072502 /nfs/dbraw/zinc/07/25/02/750072502.db2.gz GRZHEPACZWYXMB-UHFFFAOYSA-N 0 3 323.397 1.274 20 5 DDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(Cc3ccncc3)CC2)C1 ZINC001169024933 762202095 /nfs/dbraw/zinc/20/20/95/762202095.db2.gz HVZPEROECIXDMQ-HZPDHXFCSA-N 0 3 304.394 1.645 20 5 DDBDHN C[C@@H](Nc1cc2c(c([N+](=O)[O-])c1)NN(C)C2)[C@H]1CNCCO1 ZINC001170576444 768253667 /nfs/dbraw/zinc/25/36/67/768253667.db2.gz VFRXBHGFRWQNBP-NOZJJQNGSA-N 0 3 307.354 1.156 20 5 DDBDHN Cc1c[nH]c(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)n1 ZINC001135051881 771300664 /nfs/dbraw/zinc/30/06/64/771300664.db2.gz DPOVVPGWNAAFJJ-UHFFFAOYSA-N 0 3 303.322 1.146 20 5 DDBDHN CCN(CC)CC(=O)N[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001097029934 771601478 /nfs/dbraw/zinc/60/14/78/771601478.db2.gz MANBGJZQNLAMPE-HAQNSBGRSA-N 0 3 321.381 1.391 20 5 DDBDHN CCCN(C)CC(=O)NCCNc1ccc(C)cc1[N+](=O)[O-] ZINC001093788278 775079472 /nfs/dbraw/zinc/07/94/72/775079472.db2.gz WUYLUZXTUTZOEI-UHFFFAOYSA-N 0 3 308.382 1.773 20 5 DDBDHN Cc1[nH]cnc1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001093776978 775101353 /nfs/dbraw/zinc/10/13/53/775101353.db2.gz QCVREVGKPOCLES-UHFFFAOYSA-N 0 3 303.322 1.397 20 5 DDBDHN CCN(C)C(C)(C)C(=O)NCCNc1nccc(C)c1[N+](=O)[O-] ZINC001093953526 775263249 /nfs/dbraw/zinc/26/32/49/775263249.db2.gz ZWPKCZMUDIOJFX-UHFFFAOYSA-N 0 3 323.397 1.557 20 5 DDBDHN CC[C@H](N[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(N)=O ZINC001173176096 777034194 /nfs/dbraw/zinc/03/41/94/777034194.db2.gz XIRXBZLRULHVMT-WPRPVWTQSA-N 0 3 313.329 1.527 20 5 DDBDHN CCC1(CC)CNC(=O)[C@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001176454028 778153278 /nfs/dbraw/zinc/15/32/78/778153278.db2.gz YETDAIOOQVMTAE-UONOGXRCSA-N 0 3 321.377 1.523 20 5 DDBDHN Cc1cc(C(=O)N(C)CCNCc2ccccc2[N+](=O)[O-])n[nH]1 ZINC001266651169 836595240 /nfs/dbraw/zinc/59/52/40/836595240.db2.gz VTOHBRRYOPTRKN-UHFFFAOYSA-N 0 3 317.349 1.488 20 5 DDBDHN CN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC001326489242 861403173 /nfs/dbraw/zinc/40/31/73/861403173.db2.gz PLPNIQUVRHFISD-UONOGXRCSA-N 0 3 307.350 1.181 20 5 DDBDHN CCc1ocnc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125108416 859894022 /nfs/dbraw/zinc/89/40/22/859894022.db2.gz AQDAKYIGQRJXBH-UHFFFAOYSA-N 0 3 318.333 1.665 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccncc1F ZINC001125164872 859908904 /nfs/dbraw/zinc/90/89/04/859908904.db2.gz SPTNBMRSCKTEPA-UHFFFAOYSA-N 0 3 318.308 1.649 20 5 DDBDHN COc1cc(Cc2noc([C@@H]3NC[C@@H]4C[C@@H]43)n2)ccc1[N+](=O)[O-] ZINC001329237568 863554131 /nfs/dbraw/zinc/55/41/31/863554131.db2.gz VHKVMBLYLQCCBC-PKFCDNJMSA-N 0 3 316.317 1.858 20 5 DDBDHN CNc1cc([N+](=O)[O-])cnc1NCCCN1CCN(C)CC1 ZINC001161703311 866911796 /nfs/dbraw/zinc/91/17/96/866911796.db2.gz CLFSTWUQISZCTR-UHFFFAOYSA-N 0 3 308.386 1.081 20 5 DDBDHN COc1nc(SC)nc(-n2nc(CN)cc2C)c1[N+](=O)[O-] ZINC001163980541 868843789 /nfs/dbraw/zinc/84/37/89/868843789.db2.gz YLRUOGLIXBUJOI-UHFFFAOYSA-N 0 3 310.339 1.068 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(N2CCN[C@H](c3ccc(O)cc3)C2)n1 ZINC001164039750 868908420 /nfs/dbraw/zinc/90/84/20/868908420.db2.gz XBLKOCSEQOSHQT-LBPRGKRZSA-N 0 3 303.322 1.185 20 5 DDBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)CCN(C)CCO ZINC001301548340 871000784 /nfs/dbraw/zinc/00/07/84/871000784.db2.gz SLDBTNFWVOEGIV-UHFFFAOYSA-N 0 3 313.329 1.038 20 5 DDBDHN CN(CCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])C1CC1 ZINC001342847171 872411959 /nfs/dbraw/zinc/41/19/59/872411959.db2.gz JHIGGHMFEHKLIE-UHFFFAOYSA-N 0 3 316.361 1.953 20 5 DDBDHN Cc1cc(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC001350262651 875602365 /nfs/dbraw/zinc/60/23/65/875602365.db2.gz QFXRDZHYHUEINF-UONOGXRCSA-N 0 3 320.349 1.186 20 5 DDBDHN O=[N+]([O-])c1ccccc1CNC[C@H](O)CC1(CO)CCCC1 ZINC001353245060 877210808 /nfs/dbraw/zinc/21/08/08/877210808.db2.gz CCFNZZOKZMIRQJ-CQSZACIVSA-N 0 3 308.378 1.988 20 5 DDBDHN CN1CCCC[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC001353890948 877633513 /nfs/dbraw/zinc/63/35/13/877633513.db2.gz AUHQEYQEAUPPBR-NSHDSACASA-N 0 3 309.370 1.127 20 5 DDBDHN COC(=O)c1cccc([N+](=O)[O-])c1CO[C@@H]1CCCN(C)C1 ZINC001222772313 880692377 /nfs/dbraw/zinc/69/23/77/880692377.db2.gz ALTRDJSUZIZNOL-LLVKDONJSA-N 0 3 308.334 1.992 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@H]3COC[C@@H]3F)CC2)cc1 ZINC001254472994 896456602 /nfs/dbraw/zinc/45/66/02/896456602.db2.gz YVZIIDOYWCGBCH-GJZGRUSLSA-N 0 3 309.341 1.890 20 5 DDBDHN O=C(CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)NC1CCCC1 ZINC001254581801 896513296 /nfs/dbraw/zinc/51/32/96/896513296.db2.gz MYDYBHSDKBSCQX-AWEZNQCLSA-N 0 3 303.362 1.710 20 5 DDBDHN CS(=O)(=O)c1ccc(CNCCc2ccc([N+](=O)[O-])cc2)o1 ZINC001261367195 899518359 /nfs/dbraw/zinc/51/83/59/899518359.db2.gz WCONRAMYSACYMG-UHFFFAOYSA-N 0 3 324.358 1.924 20 5 DDBDHN CN(C)C[C@H](CO)Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001262365733 900132843 /nfs/dbraw/zinc/13/28/43/900132843.db2.gz KQKJZRZIFJOCIF-SECBINFHSA-N 0 3 324.768 1.553 20 5 DDBDHN C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H](C)C1 ZINC000248780735 282108238 /nfs/dbraw/zinc/10/82/38/282108238.db2.gz WKGPRRHWSMEWIA-NWDGAFQWSA-N 0 3 309.370 1.028 20 5 DDBDHN CCc1n[nH]c(C(=O)N(C)[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000444272739 529465090 /nfs/dbraw/zinc/46/50/90/529465090.db2.gz YXKIKJUWEHJHEG-JTQLQIEISA-N 0 3 307.354 1.189 20 5 DDBDHN CCc1[nH]nc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000444272739 529465093 /nfs/dbraw/zinc/46/50/93/529465093.db2.gz YXKIKJUWEHJHEG-JTQLQIEISA-N 0 3 307.354 1.189 20 5 DDBDHN CC[C@@H](CNS(C)(=O)=O)NCc1ccc([N+](=O)[O-])cc1C ZINC000295011365 529493864 /nfs/dbraw/zinc/49/38/64/529493864.db2.gz JLWUZQXYMLDXGF-LBPRGKRZSA-N 0 3 315.395 1.321 20 5 DDBDHN Cc1ccc([C@H](C)NCCN2C(=O)N[C@H](C)C2=O)cc1[N+](=O)[O-] ZINC000459388731 233154101 /nfs/dbraw/zinc/15/41/01/233154101.db2.gz PFINXEZRLVIDKS-WDEREUQCSA-N 0 3 320.349 1.494 20 5 DDBDHN COCCNCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000152473836 186077630 /nfs/dbraw/zinc/07/76/30/186077630.db2.gz BNDCJODTHPZQPO-UHFFFAOYSA-N 0 3 315.757 1.143 20 5 DDBDHN C[C@H](CN1CCCCC1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000032662936 352283281 /nfs/dbraw/zinc/28/32/81/352283281.db2.gz YUODANDHBYMBSQ-LLVKDONJSA-N 0 3 306.366 1.781 20 5 DDBDHN COCCN(C)CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491576002 234207160 /nfs/dbraw/zinc/20/71/60/234207160.db2.gz LFQCMKMOISSGNY-YVMONPNESA-N 0 3 307.350 1.302 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC[C@H]1CN(C)C ZINC000068468550 353113915 /nfs/dbraw/zinc/11/39/15/353113915.db2.gz ZLQSXHUMSYQMMV-LBPRGKRZSA-N 0 3 309.370 1.042 20 5 DDBDHN CN(CC1CCN(C)CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173532236 198224661 /nfs/dbraw/zinc/22/46/61/198224661.db2.gz WIICDSRLGOIDKA-UHFFFAOYSA-N 0 3 305.378 1.938 20 5 DDBDHN CC(C)N1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000068800102 353131497 /nfs/dbraw/zinc/13/14/97/353131497.db2.gz VCTSFLLQJXTGHQ-UHFFFAOYSA-N 0 3 321.377 1.916 20 5 DDBDHN COc1ccc(CC(=O)NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000069369840 353158801 /nfs/dbraw/zinc/15/88/01/353158801.db2.gz RELKFSYQVSQAEM-UHFFFAOYSA-N 0 3 307.350 1.356 20 5 DDBDHN CC[C@@H](CO)N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000075962636 353387641 /nfs/dbraw/zinc/38/76/41/353387641.db2.gz LFDNMNVEHLJOOL-AWEZNQCLSA-N 0 3 323.393 1.362 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N(C)CCCN2CCN(C)CC2)c1 ZINC000088722097 353757725 /nfs/dbraw/zinc/75/77/25/353757725.db2.gz RBRXBCMKMKGATD-UHFFFAOYSA-N 0 3 306.410 1.977 20 5 DDBDHN COCCN(C)C[C@H](O)COc1cc(C)c([N+](=O)[O-])cc1F ZINC000319560818 354522322 /nfs/dbraw/zinc/52/23/22/354522322.db2.gz PEGUEGSAJUBZRW-NSHDSACASA-N 0 3 316.329 1.360 20 5 DDBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H](C)C1 ZINC000346216134 283032765 /nfs/dbraw/zinc/03/27/65/283032765.db2.gz IAARIYJUMISKAV-WDMOLILDSA-N 0 3 306.366 1.725 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405259991 354678060 /nfs/dbraw/zinc/67/80/60/354678060.db2.gz IKLAMLNJRUNUAM-QWHCGFSZSA-N 0 3 311.769 1.499 20 5 DDBDHN CN1CC[C@@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)[C@H]2C1 ZINC000585779648 354839691 /nfs/dbraw/zinc/83/96/91/354839691.db2.gz HPHVDOBKSKGTAJ-YGRLFVJLSA-N 0 3 306.366 1.200 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@]1(C)CCO[C@@H]1C ZINC000494226098 235008878 /nfs/dbraw/zinc/00/88/78/235008878.db2.gz FOVWWFZEIGOMDJ-IAQYHMDHSA-N 0 3 307.350 1.999 20 5 DDBDHN CCc1nn(C)c(N2CC[C@@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000590141911 355053068 /nfs/dbraw/zinc/05/30/68/355053068.db2.gz JDIWNYZSVIIZLW-HNNXBMFYSA-N 0 3 307.398 1.813 20 5 DDBDHN COc1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590442358 355096518 /nfs/dbraw/zinc/09/65/18/355096518.db2.gz FNKLKDCVNYVVSW-DGCLKSJQSA-N 0 3 305.334 1.380 20 5 DDBDHN COc1ccc(NC(=O)CCN2CC[C@@H](O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000591039604 355237439 /nfs/dbraw/zinc/23/74/39/355237439.db2.gz MLCUENHTSQEZCS-QMTHXVAHSA-N 0 3 323.349 1.387 20 5 DDBDHN CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCCN1C ZINC000591505419 355322234 /nfs/dbraw/zinc/32/22/34/355322234.db2.gz JOFGMUYSXOJDRH-ZDUSSCGKSA-N 0 3 321.377 1.892 20 5 DDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CNCCC1(F)F ZINC000591669568 355357715 /nfs/dbraw/zinc/35/77/15/355357715.db2.gz ZECXHMHUBNHOSU-LLVKDONJSA-N 0 3 313.304 1.798 20 5 DDBDHN CC1(C)CNCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000591678370 355360368 /nfs/dbraw/zinc/36/03/68/355360368.db2.gz RHJTXVSVBAJCHO-UHFFFAOYSA-N 0 3 307.350 1.574 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)CNCC2 ZINC000591681407 355361076 /nfs/dbraw/zinc/36/10/76/355361076.db2.gz QZHOOZQAQOIIIK-UHFFFAOYSA-N 0 3 301.306 1.226 20 5 DDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ccc(F)cc1[N+](=O)[O-] ZINC000591982784 355453055 /nfs/dbraw/zinc/45/30/55/355453055.db2.gz RHPVMHKMZOLWSC-SNVBAGLBSA-N 0 3 310.329 1.290 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000592524521 355611818 /nfs/dbraw/zinc/61/18/18/355611818.db2.gz YGUYREBACCKMKQ-ZDUSSCGKSA-N 0 3 320.393 1.455 20 5 DDBDHN CC(C)O[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000593055560 355781485 /nfs/dbraw/zinc/78/14/85/355781485.db2.gz LQBZPPXGOBDPGM-ZIAGYGMSSA-N 0 3 312.370 1.042 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC3(CC3(F)F)CC2)c1 ZINC000593077850 355788195 /nfs/dbraw/zinc/78/81/95/355788195.db2.gz UOTPHCZTZAYQJF-LLVKDONJSA-N 0 3 316.308 1.273 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)n1 ZINC000594198976 356138533 /nfs/dbraw/zinc/13/85/33/356138533.db2.gz WXAPPBXZEBOZSJ-GHMZBOCLSA-N 0 3 307.354 1.075 20 5 DDBDHN CCc1ccc(C(=O)N[C@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594450672 356221831 /nfs/dbraw/zinc/22/18/31/356221831.db2.gz NCERQYFPIXSLSX-SNVBAGLBSA-N 0 3 305.256 1.777 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@]1(OCCO)CCOC1 ZINC000595072222 356378530 /nfs/dbraw/zinc/37/85/30/356378530.db2.gz QSSVQFHMZUQXEW-ZBFHGGJFSA-N 0 3 322.361 1.340 20 5 DDBDHN CC[C@H](NC[C@]1(OCCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595077359 356378843 /nfs/dbraw/zinc/37/88/43/356378843.db2.gz HHTNEFFLQFGPPA-JKSUJKDBSA-N 0 3 324.377 1.804 20 5 DDBDHN CC(C)[C@H](NCCn1ccc([N+](=O)[O-])n1)[C@H](O)C(F)(F)F ZINC000595481088 356510807 /nfs/dbraw/zinc/51/08/07/356510807.db2.gz CKXVPYRTVSVPME-UWVGGRQHSA-N 0 3 310.276 1.329 20 5 DDBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H](CO)Cc1ccccc1 ZINC000595596531 356568569 /nfs/dbraw/zinc/56/85/69/356568569.db2.gz NNNIOWTWJHDJHF-CQSZACIVSA-N 0 3 304.350 1.327 20 5 DDBDHN NC1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC2(CCC2)C1 ZINC000595923045 356705746 /nfs/dbraw/zinc/70/57/46/356705746.db2.gz ORPROTKDEBTQEL-UHFFFAOYSA-N 0 3 318.377 1.785 20 5 DDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)c1cn[n-]c1[C@@H]1CC[NH2+]C1 ZINC000595925112 356707030 /nfs/dbraw/zinc/70/70/30/356707030.db2.gz VIXAVSMASGUWGK-SECBINFHSA-N 0 3 301.306 1.647 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCOC2(CNC2)C1 ZINC000596097789 356770551 /nfs/dbraw/zinc/77/05/51/356770551.db2.gz GARQZHQJADHTFN-UHFFFAOYSA-N 0 3 305.334 1.026 20 5 DDBDHN CC(C)[NH2+]C1(CO)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596251374 356832997 /nfs/dbraw/zinc/83/29/97/356832997.db2.gz RJBRKZJIGRLOFT-UHFFFAOYSA-N 0 3 310.354 1.025 20 5 DDBDHN O=c1[n-]ccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000596129669 356784856 /nfs/dbraw/zinc/78/48/56/356784856.db2.gz ILIVACPKYONRDT-LLVKDONJSA-N 0 3 322.365 1.608 20 5 DDBDHN C[C@@H](CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])N(C)C ZINC000596430877 356878016 /nfs/dbraw/zinc/87/80/16/356878016.db2.gz LGXZETAKIIISOJ-QMMMGPOBSA-N 0 3 321.424 1.812 20 5 DDBDHN C[C@@H](CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)N(C)C ZINC000596433897 356879776 /nfs/dbraw/zinc/87/97/76/356879776.db2.gz VMQLSBOPQCDUNK-JTQLQIEISA-N 0 3 315.395 1.750 20 5 DDBDHN CC(C)(C)N1CC[C@@H]1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000596308735 356852431 /nfs/dbraw/zinc/85/24/31/356852431.db2.gz MKOOVOQOIUEZDU-SNVBAGLBSA-N 0 3 306.366 1.978 20 5 DDBDHN CC(C)(C)N1CC[C@H]1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000596308414 356852742 /nfs/dbraw/zinc/85/27/42/356852742.db2.gz RUHOIJJSXNYRRL-LBPRGKRZSA-N 0 3 308.382 1.954 20 5 DDBDHN COc1cc(OCC(=O)N2C[C@@H](C)NC[C@H]2C)ccc1[N+](=O)[O-] ZINC000237226001 202195910 /nfs/dbraw/zinc/19/59/10/202195910.db2.gz JHRVOPLUIPHMGD-GHMZBOCLSA-N 0 3 323.349 1.191 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000597619968 357258480 /nfs/dbraw/zinc/25/84/80/357258480.db2.gz LKFQDLFVHPJEJV-GFCCVEGCSA-N 0 3 322.365 1.250 20 5 DDBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)CN(C)C ZINC000597653278 357270250 /nfs/dbraw/zinc/27/02/50/357270250.db2.gz IQQHRJJOVGIIGO-UONOGXRCSA-N 0 3 323.393 1.202 20 5 DDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000597856816 357359808 /nfs/dbraw/zinc/35/98/08/357359808.db2.gz AQPXHTWZPZPRBO-LLVKDONJSA-N 0 3 309.370 1.170 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@H]2CCN(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597921533 357382471 /nfs/dbraw/zinc/38/24/71/357382471.db2.gz GUQYPEPFMXZTSX-JTQLQIEISA-N 0 3 323.397 1.873 20 5 DDBDHN COC(=O)c1ccnc(NC[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000598587286 357642401 /nfs/dbraw/zinc/64/24/01/357642401.db2.gz OECSGIXGODAUMP-JTQLQIEISA-N 0 3 320.349 1.673 20 5 DDBDHN CCN1CCC[C@@H](CNc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598591343 357644633 /nfs/dbraw/zinc/64/46/33/357644633.db2.gz AANKBPMTJKVVKE-NSHDSACASA-N 0 3 322.365 1.920 20 5 DDBDHN COC(=O)[C@@]1(OC)CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000599562861 357975005 /nfs/dbraw/zinc/97/50/05/357975005.db2.gz IUINBVPKTOQQAR-OAHLLOKOSA-N 0 3 308.334 1.401 20 5 DDBDHN Cn1c(C(=O)NC[C@H]2CCN2C2CCCC2)ccc1[N+](=O)[O-] ZINC000600472773 358234544 /nfs/dbraw/zinc/23/45/44/358234544.db2.gz QIGCQVQDHVAZKR-GFCCVEGCSA-N 0 3 306.366 1.680 20 5 DDBDHN COc1ccc(NC(=O)CN[C@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000180617936 199186048 /nfs/dbraw/zinc/18/60/48/199186048.db2.gz LFWUJEPMUAIAQA-GFCCVEGCSA-N 0 3 311.338 1.148 20 5 DDBDHN O=[N+]([O-])c1ccc2nccc(N3CCN(CCCO)CC3)c2c1 ZINC000601109868 358405439 /nfs/dbraw/zinc/40/54/39/358405439.db2.gz ULRWXYAYGPODGF-UHFFFAOYSA-N 0 3 316.361 1.647 20 5 DDBDHN CCS(=O)(=O)C1(CNCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602719212 359147170 /nfs/dbraw/zinc/14/71/70/359147170.db2.gz VXETYYVQYSRZMG-UHFFFAOYSA-N 0 3 312.391 1.694 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCCNC(=O)C1CCC1 ZINC000602820459 359214695 /nfs/dbraw/zinc/21/46/95/359214695.db2.gz LTESJEQZWRKCNU-UHFFFAOYSA-N 0 3 323.397 1.338 20 5 DDBDHN C[C@](CO)(NC[C@H](O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602963453 359326531 /nfs/dbraw/zinc/32/65/31/359326531.db2.gz VTUMVNLTHRAUEQ-VXGBXAGGSA-N 0 3 322.283 1.705 20 5 DDBDHN COc1ccc(Cn2cc(CCN(C)C)nn2)cc1[N+](=O)[O-] ZINC000603205457 359480069 /nfs/dbraw/zinc/48/00/69/359480069.db2.gz CKEVRXKPMYZUPS-UHFFFAOYSA-N 0 3 305.338 1.347 20 5 DDBDHN CN(C)CCc1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000603220637 359491956 /nfs/dbraw/zinc/49/19/56/359491956.db2.gz ZKASTZASHWOXOO-UHFFFAOYSA-N 0 3 309.757 1.992 20 5 DDBDHN CNC(=O)c1ccc(N2CCC[C@H]2CN(C)C)c([N+](=O)[O-])c1 ZINC000610705325 360510099 /nfs/dbraw/zinc/51/00/99/360510099.db2.gz DRSPIYYNJPOTMA-LBPRGKRZSA-N 0 3 306.366 1.485 20 5 DDBDHN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CCN(CC2CC2)C1 ZINC000611599957 360775148 /nfs/dbraw/zinc/77/51/48/360775148.db2.gz XIGYIXBDSCWHHY-LLVKDONJSA-N 0 3 305.338 1.018 20 5 DDBDHN Cc1ccncc1[C@H](C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000611939169 360862701 /nfs/dbraw/zinc/86/27/01/360862701.db2.gz OSCCESIWCODPQV-LBPRGKRZSA-N 0 3 302.334 1.811 20 5 DDBDHN CNc1c(C(=O)N[C@@H]2CCN(CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000613233711 361341154 /nfs/dbraw/zinc/34/11/54/361341154.db2.gz XIWSRVOAGLCZLN-GFCCVEGCSA-N 0 3 318.377 1.851 20 5 DDBDHN CC[C@H]1CN(C)CCCN1C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000619578468 364070432 /nfs/dbraw/zinc/07/04/32/364070432.db2.gz JAGJCYPMKBWURJ-LBPRGKRZSA-N 0 3 309.370 1.042 20 5 DDBDHN O=C(C[C@@H]1CSCCN1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000091137861 193003535 /nfs/dbraw/zinc/00/35/35/193003535.db2.gz HBWBERFJOUMDTM-GFCCVEGCSA-N 0 3 309.391 1.349 20 5 DDBDHN C[C@H](CN(C)C)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000349846386 284075133 /nfs/dbraw/zinc/07/51/33/284075133.db2.gz LRTXGSSOQNYBEG-LLVKDONJSA-N 0 3 309.370 1.256 20 5 DDBDHN C[C@@H](N[C@@H](C)CN1CCN(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293762893 296147017 /nfs/dbraw/zinc/14/70/17/296147017.db2.gz PDSGYYYLJNBECO-QWHCGFSZSA-N 0 3 321.425 1.464 20 5 DDBDHN CC(C)N(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000282765816 217234820 /nfs/dbraw/zinc/23/48/20/217234820.db2.gz UMYNLZPSGZCMPZ-UHFFFAOYSA-N 0 3 308.338 1.119 20 5 DDBDHN CN(CC(=O)N1CCCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000266248415 205214750 /nfs/dbraw/zinc/21/47/50/205214750.db2.gz RGIFFOOHNYQWLY-UHFFFAOYSA-N 0 3 306.366 1.195 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](O)C1 ZINC000041886255 183223356 /nfs/dbraw/zinc/22/33/56/183223356.db2.gz SKILIFDVMAGIDN-GFCCVEGCSA-N 0 3 323.349 1.389 20 5 DDBDHN COc1ccc(NC(=O)CN[C@H](C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000274046675 211303897 /nfs/dbraw/zinc/30/38/97/211303897.db2.gz OZZIDMQYHTVYKQ-GHMZBOCLSA-N 0 3 323.349 1.557 20 5 DDBDHN CN(C)CCOC1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413139523 224143026 /nfs/dbraw/zinc/14/30/26/224143026.db2.gz NQJYGAKDTNKJCU-UHFFFAOYSA-N 0 3 312.345 1.676 20 5 DDBDHN COCCOC[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000295890977 533125946 /nfs/dbraw/zinc/12/59/46/533125946.db2.gz BNDKKXHNLZETSW-MRXNPFEDSA-N 0 3 324.377 1.583 20 5 DDBDHN CN1CCC(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000120536511 195184870 /nfs/dbraw/zinc/18/48/70/195184870.db2.gz KSUFSCHHOJQSLZ-UHFFFAOYSA-N 0 3 306.366 1.531 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@](C)(CO)C(C)C ZINC000352890365 285365481 /nfs/dbraw/zinc/36/54/81/285365481.db2.gz CTWSXXSBCCUFHZ-OAHLLOKOSA-N 0 3 309.366 1.838 20 5 DDBDHN COC(=O)[C@](C)(O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547228 533571927 /nfs/dbraw/zinc/57/19/27/533571927.db2.gz KOXZQPCGCBWWTQ-XJKSGUPXSA-N 0 3 322.361 1.698 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000569502913 304359283 /nfs/dbraw/zinc/35/92/83/304359283.db2.gz MELFLOVCSBXRAM-NJZAAPMLSA-N 0 3 318.377 1.208 20 5 DDBDHN CC(C)N(CC(=O)OCC(C)[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000497036955 307377339 /nfs/dbraw/zinc/37/73/39/307377339.db2.gz ORDCXEDZDIJDDB-SNVBAGLBSA-N 0 3 304.343 1.840 20 5 DDBDHN CCN1CCN(CCNC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000112918250 407448644 /nfs/dbraw/zinc/44/86/44/407448644.db2.gz ZFDVAEWOQLJQHF-UHFFFAOYSA-N 0 3 320.393 1.271 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN(C)C1CC1 ZINC000186730284 407760310 /nfs/dbraw/zinc/76/03/10/407760310.db2.gz HGMXOVQJFNPJIN-UHFFFAOYSA-N 0 3 307.350 1.770 20 5 DDBDHN C[NH2+]C[C@@H](C)C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000237058462 407794401 /nfs/dbraw/zinc/79/44/01/407794401.db2.gz SXJCDHHSPQIUIB-SECBINFHSA-N 0 3 315.395 1.345 20 5 DDBDHN O=C(C[C@H]1CSCCN1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000238087214 407888122 /nfs/dbraw/zinc/88/81/22/407888122.db2.gz FUIKBDKQOMONRY-LBPRGKRZSA-N 0 3 324.406 1.218 20 5 DDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)N1CCC[C@H](C)C1 ZINC000180530419 407898466 /nfs/dbraw/zinc/89/84/66/407898466.db2.gz TWUVZLYIPOEJHV-QWRGUYRKSA-N 0 3 321.381 1.422 20 5 DDBDHN Cc1nn(CCC(=O)N2CCN[C@@H](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000262783582 407927979 /nfs/dbraw/zinc/92/79/79/407927979.db2.gz LWOBADIZPQBIAJ-GXSJLCMTSA-N 0 3 309.370 1.007 20 5 DDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCCC[C@@H]1O ZINC000272451906 407928356 /nfs/dbraw/zinc/92/83/56/407928356.db2.gz CHDQCEJBJNBSJL-OCCSQVGLSA-N 0 3 309.366 1.239 20 5 DDBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CC=CC2)C1 ZINC000174392665 407941213 /nfs/dbraw/zinc/94/12/13/407941213.db2.gz NKJCCSBUYDDGCX-OAHLLOKOSA-N 0 3 316.361 1.751 20 5 DDBDHN COc1cc(CNCCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272482922 407941401 /nfs/dbraw/zinc/94/14/01/407941401.db2.gz SXBRIDGEYOYASP-UHFFFAOYSA-N 0 3 320.292 1.719 20 5 DDBDHN Cc1nc(NC[C@H](C(C)C)N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000268439323 408044103 /nfs/dbraw/zinc/04/41/03/408044103.db2.gz CRWVLEBJWQRRHS-OAHLLOKOSA-N 0 3 321.425 1.982 20 5 DDBDHN Cc1ccc([C@@H](C)NC[C@H](O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000181830899 408045071 /nfs/dbraw/zinc/04/50/71/408045071.db2.gz XGFWDNLRUCQRMJ-HIFRSBDPSA-N 0 3 323.393 1.247 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](Nc3ccccc3)C2)n1 ZINC000176226044 408315730 /nfs/dbraw/zinc/31/57/30/408315730.db2.gz BFZBMHZKZDSXEB-AWEZNQCLSA-N 0 3 301.350 1.978 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000246556316 408289005 /nfs/dbraw/zinc/28/90/05/408289005.db2.gz KSAGSJCWHRTRND-BBRMVZONSA-N 0 3 319.409 1.740 20 5 DDBDHN CC[C@H](CO)N1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183374865 408392640 /nfs/dbraw/zinc/39/26/40/408392640.db2.gz QPGUYHCGAAZSSA-OAHLLOKOSA-N 0 3 307.394 1.792 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@H]2CCCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000274540234 408443589 /nfs/dbraw/zinc/44/35/89/408443589.db2.gz VXCFHNKNKYESMX-NSHDSACASA-N 0 3 323.397 1.873 20 5 DDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000191666779 408467319 /nfs/dbraw/zinc/46/73/19/408467319.db2.gz ALUDMJDUYGUVBR-LLVKDONJSA-N 0 3 306.366 1.591 20 5 DDBDHN CC[C@H](O)[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000269937111 408475272 /nfs/dbraw/zinc/47/52/72/408475272.db2.gz YQQDXZNBRGGCQF-KBPBESRZSA-N 0 3 309.366 1.382 20 5 DDBDHN CN(C)C1(CNC(=O)NCc2ccccc2[N+](=O)[O-])CCC1 ZINC000275618793 408623350 /nfs/dbraw/zinc/62/33/50/408623350.db2.gz OBQOUFVNEXXAFV-UHFFFAOYSA-N 0 3 306.366 1.878 20 5 DDBDHN O=[N+]([O-])c1cnc(NCCCN2CCC(O)CC2)c(Cl)c1 ZINC000265544641 408689343 /nfs/dbraw/zinc/68/93/43/408689343.db2.gz PNOOTVSETPTOJH-UHFFFAOYSA-N 0 3 314.773 1.902 20 5 DDBDHN NC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184842515 408702487 /nfs/dbraw/zinc/70/24/87/408702487.db2.gz XNRNVBAXEMRIKI-MNOVXSKESA-N 0 3 320.349 1.167 20 5 DDBDHN CCOC(=O)[C@]1(C(C)C)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000194856057 408801304 /nfs/dbraw/zinc/80/13/04/408801304.db2.gz CTYSKZMVCOZWDY-OAHLLOKOSA-N 0 3 324.381 1.703 20 5 DDBDHN C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)N1CCC(C)CC1 ZINC000195069532 408810363 /nfs/dbraw/zinc/81/03/63/408810363.db2.gz RKTKMPVULQVOEU-GFCCVEGCSA-N 0 3 309.370 1.028 20 5 DDBDHN COC(=O)c1ccc(OC[C@@H](O)CN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000290798890 408834169 /nfs/dbraw/zinc/83/41/69/408834169.db2.gz PIGADPSQTIYVMJ-LBPRGKRZSA-N 0 3 324.333 1.215 20 5 DDBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000187807043 163028132 /nfs/dbraw/zinc/02/81/32/163028132.db2.gz ZGOFVNJCMWRHLN-OLZOCXBDSA-N 0 3 310.350 1.445 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC2CCN(C3CC3)CC2)n1 ZINC000286068289 408918718 /nfs/dbraw/zinc/91/87/18/408918718.db2.gz IYMHGNZBHZITAJ-UHFFFAOYSA-N 0 3 320.349 1.815 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)N(C)C1CC1 ZINC000277403681 408934112 /nfs/dbraw/zinc/93/41/12/408934112.db2.gz HGBSJXOSWCHGSQ-JTQLQIEISA-N 0 3 307.350 1.816 20 5 DDBDHN COCCN(C)CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000287950372 409120682 /nfs/dbraw/zinc/12/06/82/409120682.db2.gz QKOAPISFCMVTCR-UHFFFAOYSA-N 0 3 311.367 1.590 20 5 DDBDHN CC1(C)OCC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000295129151 409336658 /nfs/dbraw/zinc/33/66/58/409336658.db2.gz ARJLQHODBBJBBP-CQSZACIVSA-N 0 3 319.361 1.641 20 5 DDBDHN C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCN(C2CC2)C1 ZINC000295268652 409405321 /nfs/dbraw/zinc/40/53/21/409405321.db2.gz GQWAHMGUYWWICI-LBPRGKRZSA-N 0 3 321.381 1.124 20 5 DDBDHN CN(CCCN1C(=O)CNC1=O)CCc1ccccc1[N+](=O)[O-] ZINC000285275935 409409218 /nfs/dbraw/zinc/40/92/18/409409218.db2.gz JBUYZHHPFNFERW-UHFFFAOYSA-N 0 3 320.349 1.011 20 5 DDBDHN CS[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296233494 409473862 /nfs/dbraw/zinc/47/38/62/409473862.db2.gz KTIWJEMKZCPREF-VXGBXAGGSA-N 0 3 312.391 1.772 20 5 DDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H]1CN(C)CCN1C ZINC000344918380 409554474 /nfs/dbraw/zinc/55/44/74/409554474.db2.gz XOFRILVQWCBZRH-DZXKJOIRSA-N 0 3 318.421 1.834 20 5 DDBDHN Cc1cc(C(=O)NCCNc2ccncc2)ccc1[N+](=O)[O-] ZINC000338076135 409699235 /nfs/dbraw/zinc/69/92/35/409699235.db2.gz CPLNEOXGTUFKNT-UHFFFAOYSA-N 0 3 300.318 1.562 20 5 DDBDHN CCN1CCCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000297192544 409844912 /nfs/dbraw/zinc/84/49/12/409844912.db2.gz QSWPAVJHMQCJDW-UHFFFAOYSA-N 0 3 321.377 1.842 20 5 DDBDHN COC(=O)[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000346636820 410050106 /nfs/dbraw/zinc/05/01/06/410050106.db2.gz HYRLTIBECBWALE-NEPJUHHUSA-N 0 3 308.334 1.857 20 5 DDBDHN C[C@@H]1CCNC(=O)[C@@H]1NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298551622 410287715 /nfs/dbraw/zinc/28/77/15/410287715.db2.gz OFMXMHAFWFRBID-QMTHXVAHSA-N 0 3 320.349 1.038 20 5 DDBDHN Cn1c(C(=O)N2CCCC23CCN(C)CC3)ccc1[N+](=O)[O-] ZINC000351993446 410399274 /nfs/dbraw/zinc/39/92/74/410399274.db2.gz JGKVSPRHPBIMMP-UHFFFAOYSA-N 0 3 306.366 1.634 20 5 DDBDHN CCCN1CCC[C@@H]1CNC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000343538596 410515852 /nfs/dbraw/zinc/51/58/52/410515852.db2.gz CHXKJNGNBQDXCA-SNVBAGLBSA-N 0 3 309.370 1.485 20 5 DDBDHN CCN1CC[C@@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1C ZINC000347534902 410601374 /nfs/dbraw/zinc/60/13/74/410601374.db2.gz ZSUSDZOMYRKDBF-WDEREUQCSA-N 0 3 309.370 1.273 20 5 DDBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CN3CCC[C@H]3CO2)c(Cl)c1 ZINC000300405246 410643179 /nfs/dbraw/zinc/64/31/79/410643179.db2.gz JFLGLJUACKKVPX-GXSJLCMTSA-N 0 3 312.757 1.918 20 5 DDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H](N2CCCC2)C1 ZINC000301062426 410648010 /nfs/dbraw/zinc/64/80/10/410648010.db2.gz BKLPJDFPMFFQTQ-NSHDSACASA-N 0 3 319.365 1.153 20 5 DDBDHN CC[C@H](C)N[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccco1 ZINC000359533383 410714155 /nfs/dbraw/zinc/71/41/55/410714155.db2.gz AFCSYKBEFBUAQV-VHSXEESVSA-N 0 3 321.337 1.770 20 5 DDBDHN CC[C@H](C)N[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccco1 ZINC000359533383 410714160 /nfs/dbraw/zinc/71/41/60/410714160.db2.gz AFCSYKBEFBUAQV-VHSXEESVSA-N 0 3 321.337 1.770 20 5 DDBDHN CC[C@H](C)N[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccco1 ZINC000359533382 410715462 /nfs/dbraw/zinc/71/54/62/410715462.db2.gz AFCSYKBEFBUAQV-UWVGGRQHSA-N 0 3 321.337 1.770 20 5 DDBDHN CC[C@H](C)N[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccco1 ZINC000359533382 410715467 /nfs/dbraw/zinc/71/54/67/410715467.db2.gz AFCSYKBEFBUAQV-UWVGGRQHSA-N 0 3 321.337 1.770 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000347936538 410799701 /nfs/dbraw/zinc/79/97/01/410799701.db2.gz CUWZULOLKDWPIQ-LBPRGKRZSA-N 0 3 309.370 1.089 20 5 DDBDHN Cc1n[nH]c(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000341074347 410882835 /nfs/dbraw/zinc/88/28/35/410882835.db2.gz WYCQAHFZVMYWTI-AOOOYVTPSA-N 0 3 309.370 1.619 20 5 DDBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3c([N+](=O)[O-])ncn3C)[C@H]2C1 ZINC000344121206 410970095 /nfs/dbraw/zinc/97/00/95/410970095.db2.gz SROWEOZZHYDDFD-AVGNSLFASA-N 0 3 321.381 1.065 20 5 DDBDHN CCN(C)C(=O)CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000360006830 410995752 /nfs/dbraw/zinc/99/57/52/410995752.db2.gz LDNILPFSAXOGAD-LLVKDONJSA-N 0 3 322.365 1.380 20 5 DDBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356451579 411038913 /nfs/dbraw/zinc/03/89/13/411038913.db2.gz WTHBDLYEHCOUTL-UTUOFQBUSA-N 0 3 323.397 1.425 20 5 DDBDHN CN(C)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000416507378 224960311 /nfs/dbraw/zinc/96/03/11/224960311.db2.gz KBYCWIMSXWTQDD-UHFFFAOYSA-N 0 3 319.358 1.352 20 5 DDBDHN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1CCO ZINC000419331828 226120937 /nfs/dbraw/zinc/12/09/37/226120937.db2.gz RXEGQPRARFJCJK-KGLIPLIRSA-N 0 3 323.393 1.361 20 5 DDBDHN COC[C@@]1(C)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296695816 226135011 /nfs/dbraw/zinc/13/50/11/226135011.db2.gz METGVWBEINTYQI-BBRMVZONSA-N 0 3 324.377 1.693 20 5 DDBDHN CCN(C[C@H](C)OC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000291348786 222330045 /nfs/dbraw/zinc/33/00/45/222330045.db2.gz XQHMJHLNLMXWPD-JSGCOSHPSA-N 0 3 312.366 1.691 20 5 DDBDHN CN(C)CCn1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000338825643 418620789 /nfs/dbraw/zinc/62/07/89/418620789.db2.gz UIRUNMBYKWMZFT-UHFFFAOYSA-N 0 3 303.322 1.605 20 5 DDBDHN CN(C)C/C=C/C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365927137 418923288 /nfs/dbraw/zinc/92/32/88/418923288.db2.gz IVBWLCIHWKDCQR-ONEGZZNKSA-N 0 3 307.354 1.073 20 5 DDBDHN COc1ccc(OCCN2C[C@H](C)C[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000420943301 419374660 /nfs/dbraw/zinc/37/46/60/419374660.db2.gz POQPOECQNYKBRA-CHWSQXEVSA-N 0 3 324.377 1.933 20 5 DDBDHN Cc1nn(C)c(NCCCN2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000432863578 229134269 /nfs/dbraw/zinc/13/42/69/229134269.db2.gz BAQRXEHSQNWHQZ-LLVKDONJSA-N 0 3 311.386 1.550 20 5 DDBDHN CC(C)C[C@@H](CN)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415428901 420060956 /nfs/dbraw/zinc/06/09/56/420060956.db2.gz PLOQAMXDVOZHPQ-NSHDSACASA-N 0 3 308.338 1.023 20 5 DDBDHN C[C@@H]1CCN[C@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000423718605 420140544 /nfs/dbraw/zinc/14/05/44/420140544.db2.gz CXONXMCEQWOESY-PELKAZGASA-N 0 3 303.322 1.798 20 5 DDBDHN C[C@H]1CCN[C@@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000423718610 420140718 /nfs/dbraw/zinc/14/07/18/420140718.db2.gz CXONXMCEQWOESY-QPUJVOFHSA-N 0 3 303.322 1.798 20 5 DDBDHN CS[C@@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000420598121 420326947 /nfs/dbraw/zinc/32/69/47/420326947.db2.gz BOWADWBAMBMFQR-VXGBXAGGSA-N 0 3 324.406 1.176 20 5 DDBDHN CCc1ccccc1[C@H](N)CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000423983783 420292169 /nfs/dbraw/zinc/29/21/69/420292169.db2.gz TZMOZDJFQAIGQB-CYBMUJFWSA-N 0 3 317.349 1.170 20 5 DDBDHN O=[N+]([O-])c1ccc2oc(CN3CC[C@H](c4nc[nH]n4)C3)nc2c1 ZINC000425554811 420417722 /nfs/dbraw/zinc/41/77/22/420417722.db2.gz WSWWOTDRWZDGBC-VIFPVBQESA-N 0 3 314.305 1.844 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCCN(CCCO)C2)n1 ZINC000450614360 420499674 /nfs/dbraw/zinc/49/96/74/420499674.db2.gz MZHZANWMBJKGJT-CYBMUJFWSA-N 0 3 308.382 1.865 20 5 DDBDHN COc1ccc(CNC(=O)NC[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000454292552 420831559 /nfs/dbraw/zinc/83/15/59/420831559.db2.gz ACLYLKAJSGHYEN-JTQLQIEISA-N 0 3 310.354 1.353 20 5 DDBDHN C[C@H]1C[C@H]1C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000488414977 421088225 /nfs/dbraw/zinc/08/82/25/421088225.db2.gz GCWMTSBBMIQQMS-QWRGUYRKSA-N 0 3 313.379 1.119 20 5 DDBDHN C[C@H]1CCN(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000524775297 421270829 /nfs/dbraw/zinc/27/08/29/421270829.db2.gz DJGNFEGJRVSCJP-VIFPVBQESA-N 0 3 310.329 1.388 20 5 DDBDHN C[C@@]1(CO)CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000546104470 421285073 /nfs/dbraw/zinc/28/50/73/421285073.db2.gz KHFGXGRUUMSMHX-HIFRSBDPSA-N 0 3 310.350 1.181 20 5 DDBDHN CN(C[C@H]1CCCN1C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000571512965 421721536 /nfs/dbraw/zinc/72/15/36/421721536.db2.gz ZGZJERIJVSQVSM-CQSZACIVSA-N 0 3 306.366 1.830 20 5 DDBDHN COc1cc(C)cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000571551599 421725402 /nfs/dbraw/zinc/72/54/02/421725402.db2.gz FTIJSZDNJZUIQL-AWEZNQCLSA-N 0 3 320.349 1.259 20 5 DDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N1CCCC[C@@H]1C ZINC000343076665 271636427 /nfs/dbraw/zinc/63/64/27/271636427.db2.gz NHECTAVUUKKFOV-RYUDHWBXSA-N 0 3 308.382 1.926 20 5 DDBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000344671122 272085521 /nfs/dbraw/zinc/08/55/21/272085521.db2.gz NNNWQHLQNGWAOM-CYBMUJFWSA-N 0 3 323.397 1.418 20 5 DDBDHN COCCN1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000345764800 272329653 /nfs/dbraw/zinc/32/96/53/272329653.db2.gz DVYAOAGINRHOQW-GFCCVEGCSA-N 0 3 322.365 1.745 20 5 DDBDHN CN(C)C[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CCO1 ZINC000450321888 273802079 /nfs/dbraw/zinc/80/20/79/273802079.db2.gz VTMABRBLIDNMLW-LBPRGKRZSA-N 0 3 316.361 1.910 20 5 DDBDHN C[C@@H](CO)[C@H](C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000295769895 274228997 /nfs/dbraw/zinc/22/89/97/274228997.db2.gz PUCZKQHHYOAYLL-QWRGUYRKSA-N 0 3 307.350 1.090 20 5 DDBDHN O=C(CNC[C@H]1CCCO1)NCCc1ccccc1[N+](=O)[O-] ZINC000269208542 274975694 /nfs/dbraw/zinc/97/56/94/274975694.db2.gz FXTJDZLQYAPXGH-CYBMUJFWSA-N 0 3 307.350 1.022 20 5 DDBDHN CCC[C@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000236828856 276042819 /nfs/dbraw/zinc/04/28/19/276042819.db2.gz UZUJRXYFSOVOOR-LBPRGKRZSA-N 0 3 306.366 1.371 20 5 DDBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c4nonc43)[C@H]2C1 ZINC000272188276 277178439 /nfs/dbraw/zinc/17/84/39/277178439.db2.gz LOSVBPJDZDEBNU-CABZTGNLSA-N 0 3 303.322 1.661 20 5 DDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408121484 279115679 /nfs/dbraw/zinc/11/56/79/279115679.db2.gz ODBQZITVONVRHH-GHMZBOCLSA-N 0 3 307.354 1.027 20 5 DDBDHN C[C@H](CCC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000313674133 279256271 /nfs/dbraw/zinc/25/62/71/279256271.db2.gz NWDWQZMGTLAAOZ-MRVPVSSYSA-N 0 3 321.786 1.654 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCNCC1 ZINC000019998595 280358511 /nfs/dbraw/zinc/35/85/11/280358511.db2.gz SDELARCGESTUOI-UHFFFAOYSA-N 0 3 319.770 1.232 20 5 DDBDHN COC(=O)C[C@@]1(NCCOc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000362276964 300042355 /nfs/dbraw/zinc/04/23/55/300042355.db2.gz DGICKLBTLCXYMN-HNNXBMFYSA-N 0 3 324.333 1.285 20 5 DDBDHN COCCO[C@H]1COCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000362515665 300083714 /nfs/dbraw/zinc/08/37/14/300083714.db2.gz ITONMCAIUZJNHW-CABCVRRESA-N 0 3 310.350 1.505 20 5 DDBDHN COc1ccc(CN[C@H]2CCC(=O)N[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000367062029 300794936 /nfs/dbraw/zinc/79/49/36/300794936.db2.gz JESCTCWKCPULCO-LRDDRELGSA-N 0 3 319.361 1.750 20 5 DDBDHN Cn1cc(N2CC[C@H](NCc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000367702515 300872941 /nfs/dbraw/zinc/87/29/41/300872941.db2.gz WLFBMAZJWUSNTC-ZDUSSCGKSA-N 0 3 301.350 1.697 20 5 DDBDHN CN1CCC(N2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC000369279145 301155593 /nfs/dbraw/zinc/15/55/93/301155593.db2.gz VVTKLTZKVHROOT-LLVKDONJSA-N 0 3 322.365 1.086 20 5 DDBDHN COC[C@H](O)CN1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000370873998 301399163 /nfs/dbraw/zinc/39/91/63/301399163.db2.gz WRUUKVJQAGMCSL-CQSZACIVSA-N 0 3 321.377 1.582 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CC[NH2+]C[C@H]1C ZINC000262808407 302050269 /nfs/dbraw/zinc/05/02/69/302050269.db2.gz XNIHRYPAAWKSAO-MNOVXSKESA-N 0 3 313.379 1.180 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000535040094 303341432 /nfs/dbraw/zinc/34/14/32/303341432.db2.gz NBAQSABEUQPUQY-UHFFFAOYSA-N 0 3 309.370 1.275 20 5 DDBDHN NC(=O)c1ccnc(NC2CC(N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000357684360 306906390 /nfs/dbraw/zinc/90/63/90/306906390.db2.gz XBQDNKDGCSSXIX-UHFFFAOYSA-N 0 3 319.365 1.518 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000366633687 307078075 /nfs/dbraw/zinc/07/80/75/307078075.db2.gz CKYCFGSEKRTCIW-TZMCWYRMSA-N 0 3 319.409 1.777 20 5 DDBDHN CC(COC(=O)CC[C@H](C)NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000497286057 307388641 /nfs/dbraw/zinc/38/86/41/307388641.db2.gz OTCWUQMNVPIWHX-UWVGGRQHSA-N 0 3 304.343 1.888 20 5 DDBDHN Cc1sc(C(=O)NCCOCCN(C)C)cc1[N+](=O)[O-] ZINC000539782614 307682763 /nfs/dbraw/zinc/68/27/63/307682763.db2.gz VYUSJGCJPWIIPG-UHFFFAOYSA-N 0 3 301.368 1.273 20 5 DDBDHN CN1CCC[C@@H](N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000584505431 337350751 /nfs/dbraw/zinc/35/07/51/337350751.db2.gz JKYYAFCOKREHNR-GFCCVEGCSA-N 0 3 307.354 1.049 20 5 DDBDHN COc1cc(C[NH2+][C@H]2CCC[C@@H](CO)C2)c([N+](=O)[O-])cc1[O-] ZINC000414572659 533906918 /nfs/dbraw/zinc/90/69/18/533906918.db2.gz LODZMVCTYDMASO-PWSUYJOCSA-N 0 3 310.350 1.950 20 5 DDBDHN Cc1c[nH+]cn1C1CCN(C(=O)c2cc([N+](=O)[O-])n[n-]2)CC1 ZINC000331937316 534713501 /nfs/dbraw/zinc/71/35/01/534713501.db2.gz OUJHQXGYKXBSSP-UHFFFAOYSA-N 0 3 304.310 1.300 20 5 DDBDHN C[C@@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820716762 599083842 /nfs/dbraw/zinc/08/38/42/599083842.db2.gz LADFTAIGWDTANV-SNVBAGLBSA-N 0 3 317.353 1.671 20 5 DDBDHN C[C@@H]1CCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820716762 599083844 /nfs/dbraw/zinc/08/38/44/599083844.db2.gz LADFTAIGWDTANV-SNVBAGLBSA-N 0 3 317.353 1.671 20 5 DDBDHN C[C@@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820716762 599083848 /nfs/dbraw/zinc/08/38/48/599083848.db2.gz LADFTAIGWDTANV-SNVBAGLBSA-N 0 3 317.353 1.671 20 5 DDBDHN C[C@@H]1CCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820716762 599083851 /nfs/dbraw/zinc/08/38/51/599083851.db2.gz LADFTAIGWDTANV-SNVBAGLBSA-N 0 3 317.353 1.671 20 5 DDBDHN C[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000820770246 606804157 /nfs/dbraw/zinc/80/41/57/606804157.db2.gz ZXKHRZLCIRHXKF-ZANVPECISA-N 0 3 317.353 1.161 20 5 DDBDHN C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000820770246 606804159 /nfs/dbraw/zinc/80/41/59/606804159.db2.gz ZXKHRZLCIRHXKF-ZANVPECISA-N 0 3 317.353 1.161 20 5 DDBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119720395 696684621 /nfs/dbraw/zinc/68/46/21/696684621.db2.gz PPRQOBCDFANQAY-SECBINFHSA-N 0 3 321.424 1.665 20 5 DDBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119746088 696684826 /nfs/dbraw/zinc/68/48/26/696684826.db2.gz UIRVXOJZUVZIDO-SECBINFHSA-N 0 3 319.408 1.371 20 5 DDBDHN Cc1cncc(CN2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000981136788 697015293 /nfs/dbraw/zinc/01/52/93/697015293.db2.gz HBFYCXZSQNEXFR-HUUCEWRRSA-N 0 3 318.377 1.090 20 5 DDBDHN CCS(=O)(=O)CCCNCc1cccc([N+](=O)[O-])c1C ZINC000231885878 697787590 /nfs/dbraw/zinc/78/75/90/697787590.db2.gz DHAJWRMMYRZNBT-UHFFFAOYSA-N 0 3 300.380 1.818 20 5 DDBDHN CNC(=O)C1(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000776593696 698124308 /nfs/dbraw/zinc/12/43/08/698124308.db2.gz WHTGUXQRTWODCK-CYBMUJFWSA-N 0 3 307.350 1.277 20 5 DDBDHN COC(=O)/C=C/c1ccc(N[C@H](CO)CN(C)C)c([N+](=O)[O-])c1 ZINC000809341506 701659484 /nfs/dbraw/zinc/65/94/84/701659484.db2.gz SDYCSOQEHRRZKC-PZBABLGHSA-N 0 3 323.349 1.115 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CCO)C1CC1 ZINC000771806287 701331677 /nfs/dbraw/zinc/33/16/77/701331677.db2.gz VEPGHMNCYXTXOI-CQSZACIVSA-N 0 3 307.350 1.592 20 5 DDBDHN O=C(CN[C@@H](CO)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000771812087 701332360 /nfs/dbraw/zinc/33/23/60/701332360.db2.gz HHEPDTTVORDCGR-NSHDSACASA-N 0 3 313.741 1.547 20 5 DDBDHN CN(C)c1ncccc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000808386560 701516208 /nfs/dbraw/zinc/51/62/08/701516208.db2.gz AUXKKGNPTHLJRX-OAHLLOKOSA-N 0 3 316.361 1.879 20 5 DDBDHN COC(=O)c1cn(CC(=O)OCC(C)[N+](=O)[O-])c2ccccc12 ZINC000813107703 702293982 /nfs/dbraw/zinc/29/39/82/702293982.db2.gz UPLIGZUOPYCKMG-SNVBAGLBSA-N 0 3 320.301 1.636 20 5 DDBDHN CC(C)C[C@@H](C(=O)OCC(C)[N+](=O)[O-])N1CCCCC1=O ZINC000813106979 702294440 /nfs/dbraw/zinc/29/44/40/702294440.db2.gz JHLFOGOASNLATI-RYUDHWBXSA-N 0 3 300.355 1.622 20 5 DDBDHN CC(COC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)[N+](=O)[O-] ZINC000813112061 702297059 /nfs/dbraw/zinc/29/70/59/702297059.db2.gz MYCAPZMSRUDZHW-JTQLQIEISA-N 0 3 320.301 1.158 20 5 DDBDHN O=[N+]([O-])c1ccccc1Cc1noc(C[C@@H]2CSCCN2)n1 ZINC000843170837 702832614 /nfs/dbraw/zinc/83/26/14/702832614.db2.gz KDUMKMJPCPJJOG-LLVKDONJSA-N 0 3 320.374 1.816 20 5 DDBDHN CC([C@@H](OC(=O)c1cnnn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845876244 703211383 /nfs/dbraw/zinc/21/13/83/703211383.db2.gz BRJWDZFRWJHGMO-PRHODGIISA-N 0 3 308.269 1.518 20 5 DDBDHN CC(COC(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F)[N+](=O)[O-] ZINC000851036361 703774958 /nfs/dbraw/zinc/77/49/58/703774958.db2.gz IFGPQGSWOCIKNX-VGMNWLOBSA-N 0 3 315.244 1.179 20 5 DDBDHN CCS(=O)(=O)CCCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819367459 704113876 /nfs/dbraw/zinc/11/38/76/704113876.db2.gz HMFWTGRJZGVJJI-CYBMUJFWSA-N 0 3 316.379 1.043 20 5 DDBDHN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCN1 ZINC000856485436 704530681 /nfs/dbraw/zinc/53/06/81/704530681.db2.gz NKTMHGJBMHCXEY-AWEZNQCLSA-N 0 3 320.393 1.731 20 5 DDBDHN CC(C)[C@@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000856490364 704531024 /nfs/dbraw/zinc/53/10/24/704531024.db2.gz JYIMVQMJAFEYMI-UONOGXRCSA-N 0 3 307.350 1.085 20 5 DDBDHN O=C([N-]C[C@@H]1CCC[NH2+]1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764601 704621922 /nfs/dbraw/zinc/62/19/22/704621922.db2.gz UGKLPVUXPIVXEE-VIFPVBQESA-N 0 3 315.276 1.435 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2CC[C@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874836390 705193624 /nfs/dbraw/zinc/19/36/24/705193624.db2.gz CCQQCIVJAKQEKN-NWDGAFQWSA-N 0 3 321.381 1.579 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874836390 705193626 /nfs/dbraw/zinc/19/36/26/705193626.db2.gz CCQQCIVJAKQEKN-NWDGAFQWSA-N 0 3 321.381 1.579 20 5 DDBDHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000861338950 705432962 /nfs/dbraw/zinc/43/29/62/705432962.db2.gz KMKMRHBCANVRCQ-DZGCQCFKSA-N 0 3 308.334 1.861 20 5 DDBDHN CN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000825844529 705736310 /nfs/dbraw/zinc/73/63/10/705736310.db2.gz MCYCXIWNSHGNLL-GJZGRUSLSA-N 0 3 319.361 1.323 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000827626286 706039589 /nfs/dbraw/zinc/03/95/89/706039589.db2.gz VHAHOYQPYMMQOU-RRFJBIMHSA-N 0 3 303.362 1.909 20 5 DDBDHN CC(COC(=O)c1c(Br)nc2n1CCC2)[N+](=O)[O-] ZINC000835455324 707256144 /nfs/dbraw/zinc/25/61/44/707256144.db2.gz OGRUTHXDKZSAQU-LURJTMIESA-N 0 3 318.127 1.414 20 5 DDBDHN COc1cccc(-n2cc(C(=O)OCC(C)[N+](=O)[O-])nn2)c1 ZINC000835453641 707255288 /nfs/dbraw/zinc/25/52/88/707255288.db2.gz FFNDGAOFTGFIFT-SECBINFHSA-N 0 3 306.278 1.098 20 5 DDBDHN O=[N+]([O-])c1c(F)nccc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000882114133 707504909 /nfs/dbraw/zinc/50/49/09/707504909.db2.gz OMSUGPZQOWTOLM-LLVKDONJSA-N 0 3 310.329 1.794 20 5 DDBDHN Cc1nc(N2CC[C@@H]3[C@H]2CCCN3CCO)ccc1[N+](=O)[O-] ZINC000897221122 708258700 /nfs/dbraw/zinc/25/87/00/708258700.db2.gz HLOXKMMTJRIJSF-ZIAGYGMSSA-N 0 3 306.366 1.334 20 5 DDBDHN Cc1ccc(N2CC[C@H]3[C@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC000897222601 708260142 /nfs/dbraw/zinc/26/01/42/708260142.db2.gz WCXCMIPNHGEWCN-UONOGXRCSA-N 0 3 305.378 1.939 20 5 DDBDHN CN(C)C[C@H](CO)Nc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000884509079 708318766 /nfs/dbraw/zinc/31/87/66/708318766.db2.gz WCGZVPOSWJJKOV-MRVPVSSYSA-N 0 3 307.272 1.948 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3C[C@]34CCOC4)CC2)cn1 ZINC000885937553 708666685 /nfs/dbraw/zinc/66/66/85/708666685.db2.gz CFRICXNOFBXJQM-BBRMVZONSA-N 0 3 318.377 1.538 20 5 DDBDHN CN(C)CCn1nccc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000900239416 709500083 /nfs/dbraw/zinc/50/00/83/709500083.db2.gz CTIWYJIJNPXXOO-UHFFFAOYSA-N 0 3 317.349 1.283 20 5 DDBDHN COc1cc([N+](=O)[O-])cnc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000892144409 710379898 /nfs/dbraw/zinc/37/98/98/710379898.db2.gz OAHJCJKAVALSSE-CMPLNLGQSA-N 0 3 308.338 1.274 20 5 DDBDHN COc1cc([C@H](C)NCCCS(C)(=O)=O)cc([N+](=O)[O-])c1 ZINC000903091595 711029954 /nfs/dbraw/zinc/02/99/54/711029954.db2.gz XFUKHPHNCBDUPD-JTQLQIEISA-N 0 3 316.379 1.689 20 5 DDBDHN COC(=O)N(C)CCN[C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903200825 711062399 /nfs/dbraw/zinc/06/23/99/711062399.db2.gz SRUFIITWFGETHF-JTQLQIEISA-N 0 3 311.338 1.952 20 5 DDBDHN CN1CCC(N(CCO)C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000911938474 711078381 /nfs/dbraw/zinc/07/83/81/711078381.db2.gz ZULVSNANZOOHQC-UHFFFAOYSA-N 0 3 321.377 1.052 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@]1(CO)COCCN1C ZINC000903282453 711087850 /nfs/dbraw/zinc/08/78/50/711087850.db2.gz UCKHLHASZQFUDU-CJNGLKHVSA-N 0 3 323.393 1.247 20 5 DDBDHN CN(CCO)CCN(C)c1nccc2c1cccc2[N+](=O)[O-] ZINC000894590555 711197999 /nfs/dbraw/zinc/19/79/99/711197999.db2.gz HQWFUTWLALBSPK-UHFFFAOYSA-N 0 3 304.350 1.503 20 5 DDBDHN C[C@@H]1[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCN1C ZINC000895737878 711591411 /nfs/dbraw/zinc/59/14/11/711591411.db2.gz GDCHUZWKTVPIMR-MWLCHTKSSA-N 0 3 304.350 1.984 20 5 DDBDHN Cc1cnc(NC[C@H]2CCN2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000896524597 711738141 /nfs/dbraw/zinc/73/81/41/711738141.db2.gz XIJIHDNOJCLHGN-CYBMUJFWSA-N 0 3 306.366 1.963 20 5 DDBDHN CCN1CCC[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000905551881 712074980 /nfs/dbraw/zinc/07/49/80/712074980.db2.gz OBKMEDASBIVXFO-KBPBESRZSA-N 0 3 307.350 1.229 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCNC2(CCCCC2)C1 ZINC000906633545 712374878 /nfs/dbraw/zinc/37/48/78/712374878.db2.gz HLHFOILLDJALRD-UHFFFAOYSA-N 0 3 321.381 1.234 20 5 DDBDHN CCOC(=O)[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000932644236 714373405 /nfs/dbraw/zinc/37/34/05/714373405.db2.gz HKPUXNHGSIEVEU-OCCSQVGLSA-N 0 3 308.334 1.513 20 5 DDBDHN Cc1ccc([C@H](C)N2C(=O)N[C@H](CN(C)C)C2=O)cc1[N+](=O)[O-] ZINC000924795661 714666019 /nfs/dbraw/zinc/66/60/19/714666019.db2.gz YLSIEAWDXAECII-CMPLNLGQSA-N 0 3 320.349 1.446 20 5 DDBDHN O=[N+]([O-])c1cc(CN2CC[C@@H]3[C@@H]2CCCN3CCO)cs1 ZINC000934258098 714777776 /nfs/dbraw/zinc/77/77/76/714777776.db2.gz PWLFCIIGQNUBOP-QWHCGFSZSA-N 0 3 311.407 1.687 20 5 DDBDHN CC(C)c1ocnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022063548 734368573 /nfs/dbraw/zinc/36/85/73/734368573.db2.gz DEMQSTDHLRWXOH-LSCVPOLPSA-N 0 3 322.365 1.200 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1N[C@H]1COCCC13OCCO3)CNC2 ZINC001168352342 742217471 /nfs/dbraw/zinc/21/74/71/742217471.db2.gz DPEPYGZTJAKRCJ-AWEZNQCLSA-N 0 3 321.333 1.142 20 5 DDBDHN O=C(NCCNCc1nsc2ccccc12)[C@@H]1CC1[N+](=O)[O-] ZINC001126936972 742845007 /nfs/dbraw/zinc/84/50/07/742845007.db2.gz ZHFCFNYJXOHRAY-ZYHUDNBSSA-N 0 3 320.374 1.167 20 5 DDBDHN CSCC[C@H](N)C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001122353358 745404123 /nfs/dbraw/zinc/40/41/23/745404123.db2.gz INHYQIYMLYYXDW-PWSUYJOCSA-N 0 3 311.407 1.895 20 5 DDBDHN CCN(CCNc1ncccc1[N+](=O)[O-])C(=O)CN1CCCC1 ZINC001106777364 746061767 /nfs/dbraw/zinc/06/17/67/746061767.db2.gz QUABQWBCWAPOMO-UHFFFAOYSA-N 0 3 321.381 1.346 20 5 DDBDHN CCC(=O)N[C@H]1CC[C@H](NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001034573614 750582111 /nfs/dbraw/zinc/58/21/11/750582111.db2.gz PAHMDSBSBHXWRX-XYPYZODXSA-N 0 3 309.370 1.255 20 5 DDBDHN Cc1cc(C)nc(N2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169029654 762186516 /nfs/dbraw/zinc/18/65/16/762186516.db2.gz UXIWZTVSETUUEQ-HUUCEWRRSA-N 0 3 319.409 1.661 20 5 DDBDHN Cc1ccnc(N2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169034931 762189788 /nfs/dbraw/zinc/18/97/88/762189788.db2.gz IRVAEVPYFNLYSR-HUUCEWRRSA-N 0 3 304.394 1.957 20 5 DDBDHN O=C1NCc2ccccc2[C@H]1Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001169885811 762719425 /nfs/dbraw/zinc/71/94/25/762719425.db2.gz IUYMGEKNUURKNC-MRXNPFEDSA-N 0 3 324.340 1.981 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1(CCF)CC1 ZINC001131721230 768311315 /nfs/dbraw/zinc/31/13/15/768311315.db2.gz ABQCWXFJMPRXBK-UHFFFAOYSA-N 0 3 309.341 1.940 20 5 DDBDHN Cc1ccnn1CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001134513084 771024158 /nfs/dbraw/zinc/02/41/58/771024158.db2.gz AFRHUHUOKRWNJB-UHFFFAOYSA-N 0 3 317.349 1.006 20 5 DDBDHN Cc1cc(NCCNC(=O)C2(N(C)C)CCC2)ccc1[N+](=O)[O-] ZINC001093927985 775221441 /nfs/dbraw/zinc/22/14/41/775221441.db2.gz SUIMIOIRHCIFHM-UHFFFAOYSA-N 0 3 320.393 1.916 20 5 DDBDHN CC1(C)CCN(CC(=O)NCCNc2ncccc2[N+](=O)[O-])C1 ZINC001094140315 775475614 /nfs/dbraw/zinc/47/56/14/775475614.db2.gz GXDFQPANHZOPMH-UHFFFAOYSA-N 0 3 321.381 1.250 20 5 DDBDHN CC(C)N(C)CC(=O)NCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094456419 775896167 /nfs/dbraw/zinc/89/61/67/775896167.db2.gz GAKSXOHSDRZKAD-UHFFFAOYSA-N 0 3 309.370 1.248 20 5 DDBDHN CC(C)N(C)CC(=O)N(C)CCNc1ncccc1[N+](=O)[O-] ZINC001101657905 777354874 /nfs/dbraw/zinc/35/48/74/777354874.db2.gz XSOPMBGYCPFMSB-UHFFFAOYSA-N 0 3 309.370 1.200 20 5 DDBDHN CCOCCNCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC001177308299 778550287 /nfs/dbraw/zinc/55/02/87/778550287.db2.gz PLXYDGBTDZJORI-UHFFFAOYSA-N 0 3 312.322 1.273 20 5 DDBDHN COC(=O)[C@@H]1CCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001116836107 780565383 /nfs/dbraw/zinc/56/53/83/780565383.db2.gz ZXIJHMAIQXQPAH-VXGBXAGGSA-N 0 3 321.333 1.125 20 5 DDBDHN O=[N+]([O-])c1cccc(OCCn2cc(CNCC3CC3)nn2)c1 ZINC001119333292 781407577 /nfs/dbraw/zinc/40/75/77/781407577.db2.gz RARQIWXASJTQNJ-UHFFFAOYSA-N 0 3 317.349 1.765 20 5 DDBDHN CN(C)C[C@H](CO)Nc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001120039958 781734253 /nfs/dbraw/zinc/73/42/53/781734253.db2.gz OMKXQAVTXSFXOL-SNVBAGLBSA-N 0 3 324.768 1.553 20 5 DDBDHN Cc1ncsc1CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001266592541 836509302 /nfs/dbraw/zinc/50/93/02/836509302.db2.gz SHYMWFHLMUEVKI-VXGBXAGGSA-N 0 3 324.406 1.197 20 5 DDBDHN Cc1nc(NC2CCN(C[C@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC001326492220 861405393 /nfs/dbraw/zinc/40/53/93/861405393.db2.gz NTUWULNPKNFURJ-CYBMUJFWSA-N 0 3 321.381 1.749 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cncs1 ZINC001124239219 859647611 /nfs/dbraw/zinc/64/76/11/859647611.db2.gz ZXWRKFRACPBVTD-UHFFFAOYSA-N 0 3 306.347 1.571 20 5 DDBDHN Cc1cncc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001125190572 859914825 /nfs/dbraw/zinc/91/48/25/859914825.db2.gz NPMMMIWYIZZWMQ-UHFFFAOYSA-N 0 3 314.345 1.818 20 5 DDBDHN CN(C)Cc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c(F)c1 ZINC001142143678 861035688 /nfs/dbraw/zinc/03/56/88/861035688.db2.gz ZGEBXURAGRKDKD-UHFFFAOYSA-N 0 3 321.312 1.781 20 5 DDBDHN C[C@@H](N)c1ccn(-c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)n1 ZINC001158351062 864596758 /nfs/dbraw/zinc/59/67/58/864596758.db2.gz SNPZHBNDICTOCG-DFVUYQKZSA-N 0 3 302.338 1.728 20 5 DDBDHN Cc1cccc(NCc2nnn3c2CNCCC3)c1[N+](=O)[O-] ZINC001162971553 867959891 /nfs/dbraw/zinc/95/98/91/867959891.db2.gz JCVGWLNZSKXTQU-UHFFFAOYSA-N 0 3 302.338 1.600 20 5 DDBDHN Cc1cc(CN)nn1-c1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001163979754 868841670 /nfs/dbraw/zinc/84/16/70/868841670.db2.gz HYNPVLAYVMOKLZ-UHFFFAOYSA-N 0 3 302.269 1.630 20 5 DDBDHN CN(C)/C=C\c1cc(N2CCN3CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165198352 869422424 /nfs/dbraw/zinc/42/24/24/869422424.db2.gz JMNFRUIWKJPLIC-HSBHDXMMSA-N 0 3 303.366 1.416 20 5 DDBDHN COC(=O)[C@@]1(CNCc2ccc(OC)c([N+](=O)[O-])c2)CCOC1 ZINC001204104230 870939288 /nfs/dbraw/zinc/93/92/88/870939288.db2.gz OYDRTIZDZBKBLX-OAHLLOKOSA-N 0 3 324.333 1.273 20 5 DDBDHN C[C@@H](CNC(=O)C[C@@H]1CNCCO1)c1ccccc1[N+](=O)[O-] ZINC001341429670 871657183 /nfs/dbraw/zinc/65/71/83/871657183.db2.gz VTKVVDGEOVRJBD-NWDGAFQWSA-N 0 3 307.350 1.193 20 5 DDBDHN CC(COC(=O)C1(c2ccc3c(c2)OCCO3)CC1)[N+](=O)[O-] ZINC001344809621 873127547 /nfs/dbraw/zinc/12/75/47/873127547.db2.gz WXYNYNMFIIXBCM-JTQLQIEISA-N 0 3 307.302 1.698 20 5 DDBDHN CC[C@H](N)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001349886864 875433318 /nfs/dbraw/zinc/43/33/18/875433318.db2.gz XIQHNOQDYDRBHB-VIFPVBQESA-N 0 3 316.155 1.711 20 5 DDBDHN C[C@H](CNC(=O)[C@@H](N)CC(F)F)c1ccccc1[N+](=O)[O-] ZINC001358389394 880418807 /nfs/dbraw/zinc/41/88/07/880418807.db2.gz VSLFPWPKQLSJPU-SCZZXKLOSA-N 0 3 301.293 1.797 20 5 DDBDHN CN(CCCNC(=O)c1ccon1)Cc1ccc([N+](=O)[O-])cc1 ZINC001234513268 888039909 /nfs/dbraw/zinc/03/99/09/888039909.db2.gz VQPLZMKACUGYAG-UHFFFAOYSA-N 0 3 318.333 1.835 20 5 DDBDHN CCNC(=O)CN(C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254476983 896455711 /nfs/dbraw/zinc/45/57/11/896455711.db2.gz YIVSRQLUHKFOPL-UHFFFAOYSA-N 0 3 320.393 1.632 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1COCCC12OCCO2 ZINC001254538368 896494344 /nfs/dbraw/zinc/49/43/44/896494344.db2.gz TVXZEBGMOIIWEF-IUODEOHRSA-N 0 3 322.361 1.647 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCOCC2)C1 ZINC001254562876 896502718 /nfs/dbraw/zinc/50/27/18/896502718.db2.gz QKPRWMRYZQAKBV-ZBFHGGJFSA-N 0 3 319.405 1.932 20 5 DDBDHN CC1(C)CN(CCc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000614920866 362078333 /nfs/dbraw/zinc/07/83/33/362078333.db2.gz VTUMPFRGXOTHEW-UHFFFAOYSA-N 0 3 307.394 1.526 20 5 DDBDHN COC[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000181702068 199341156 /nfs/dbraw/zinc/34/11/56/199341156.db2.gz CDSIFFBCRVJEST-CABCVRRESA-N 0 3 320.349 1.130 20 5 DDBDHN C[C@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000320698817 290820536 /nfs/dbraw/zinc/82/05/36/290820536.db2.gz RLRYJDLNEGYYAV-YUMQZZPRSA-N 0 3 321.786 1.652 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358474125 299164990 /nfs/dbraw/zinc/16/49/90/299164990.db2.gz UCULEDQHGCUWLU-AWEZNQCLSA-N 0 3 308.338 1.091 20 5 DDBDHN COC(=O)CC1(NCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000152535155 186082614 /nfs/dbraw/zinc/08/26/14/186082614.db2.gz HTZYVCGBMUKUNX-UHFFFAOYSA-N 0 3 308.334 1.797 20 5 DDBDHN CC(C)N1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000028921457 352233151 /nfs/dbraw/zinc/23/31/51/352233151.db2.gz VRNGDGVAXLHCDM-OAHLLOKOSA-N 0 3 323.393 1.361 20 5 DDBDHN COCCCN(CCOC)CCOc1ccccc1[N+](=O)[O-] ZINC000054366092 352689846 /nfs/dbraw/zinc/68/98/46/352689846.db2.gz UAYYVBIYJLWMSM-UHFFFAOYSA-N 0 3 312.366 1.959 20 5 DDBDHN CN1CCC(O)(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000080882615 353634489 /nfs/dbraw/zinc/63/44/89/353634489.db2.gz IWKLIUQWPZXLRO-VOTSOKGWSA-N 0 3 319.361 1.181 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCN(c3ccncc3)CC2)n1 ZINC000151194056 354181496 /nfs/dbraw/zinc/18/14/96/354181496.db2.gz VKEGIEGFKDPVCY-UHFFFAOYSA-N 0 3 302.338 1.009 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C[C@@H](C)[NH3+])cc1C ZINC000320756188 354529110 /nfs/dbraw/zinc/52/91/10/354529110.db2.gz WNKUKTKPDNVEGU-GHMZBOCLSA-N 0 3 315.395 1.616 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc([N+](=O)[O-])c1 ZINC000588860631 354943573 /nfs/dbraw/zinc/94/35/73/354943573.db2.gz KIAFLSQLMLJQHT-UKRRQHHQSA-N 0 3 319.361 1.184 20 5 DDBDHN Cc1ccc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864063 354944085 /nfs/dbraw/zinc/94/40/85/354944085.db2.gz ZWTFBWLLUHNZFK-KGLIPLIRSA-N 0 3 319.361 1.184 20 5 DDBDHN Cc1c(CC(=O)N[C@@H](CO)CN2CCCC2)cccc1[N+](=O)[O-] ZINC000588868903 354944459 /nfs/dbraw/zinc/94/44/59/354944459.db2.gz HTDITXPYTLHYCM-CQSZACIVSA-N 0 3 321.377 1.019 20 5 DDBDHN Cc1ccc(C(=O)N[C@@H](CO)CN2CCCC2)cc1[N+](=O)[O-] ZINC000588867400 354944467 /nfs/dbraw/zinc/94/44/67/354944467.db2.gz UYZDZQDHWGCFPD-CYBMUJFWSA-N 0 3 307.350 1.090 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000590538584 355109296 /nfs/dbraw/zinc/10/92/96/355109296.db2.gz NLYHGLHOUJMEDD-INIZCTEOSA-N 0 3 321.377 1.432 20 5 DDBDHN Cn1c(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000495123617 235128944 /nfs/dbraw/zinc/12/89/44/235128944.db2.gz VELDELJYKJMJJZ-RYUDHWBXSA-N 0 3 306.366 1.490 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@@H]2C1 ZINC000590446621 355099573 /nfs/dbraw/zinc/09/95/73/355099573.db2.gz TYJAIVXHGVBAHF-IINYFYTJSA-N 0 3 314.345 1.852 20 5 DDBDHN C[C@H]1CN(CCO)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590765853 355172634 /nfs/dbraw/zinc/17/26/34/355172634.db2.gz ZMZRSMBLDAYZQJ-AWEZNQCLSA-N 0 3 323.393 1.362 20 5 DDBDHN O=C1C[C@@H](CNCc2ccc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000593682620 355965704 /nfs/dbraw/zinc/96/57/04/355965704.db2.gz WAPCJUXISIKFRI-JTQLQIEISA-N 0 3 307.325 1.834 20 5 DDBDHN CCC(C)(C)N1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000594593982 356259522 /nfs/dbraw/zinc/25/95/22/356259522.db2.gz GQESFTOWRFPCPH-UHFFFAOYSA-N 0 3 322.409 1.980 20 5 DDBDHN NC(=O)c1ccnc(N[C@@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594596965 356259881 /nfs/dbraw/zinc/25/98/81/356259881.db2.gz BPNWVDFWHOWSND-VXGBXAGGSA-N 0 3 319.365 1.518 20 5 DDBDHN C[C@H](N[C@@H]1CCc2c(nnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594522374 356241910 /nfs/dbraw/zinc/24/19/10/356241910.db2.gz QNQZKFBIAZAKRJ-CMPLNLGQSA-N 0 3 301.350 1.931 20 5 DDBDHN Cc1noc(CN(CCN(C)C)Cc2ccccn2)c1[N+](=O)[O-] ZINC000595508983 356524133 /nfs/dbraw/zinc/52/41/33/356524133.db2.gz MTSDAIQHNJBHCM-UHFFFAOYSA-N 0 3 319.365 1.850 20 5 DDBDHN COc1cc(CN2CC[C@H](Cn3ccnn3)C2)ccc1[N+](=O)[O-] ZINC000595607972 356574249 /nfs/dbraw/zinc/57/42/49/356574249.db2.gz MDYPAKFZKWAYHZ-ZDUSSCGKSA-N 0 3 317.349 1.717 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@H](CC)CN2CCCC2)c1[N+](=O)[O-] ZINC000618215222 363516996 /nfs/dbraw/zinc/51/69/96/363516996.db2.gz MGXKZVCKUSVJAH-SNVBAGLBSA-N 0 3 309.370 1.485 20 5 DDBDHN C[C@]12COC[C@@H]1CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000595754985 356637071 /nfs/dbraw/zinc/63/70/71/356637071.db2.gz DOMQTFNESKNIKO-NOLJZWGESA-N 0 3 322.361 1.303 20 5 DDBDHN O=C(CCN1CC[C@@]2(O)C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595759483 356640562 /nfs/dbraw/zinc/64/05/62/356640562.db2.gz UWHBAWNQSHFMAM-XHDPSFHLSA-N 0 3 305.334 1.380 20 5 DDBDHN COCCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596110999 356776200 /nfs/dbraw/zinc/77/62/00/356776200.db2.gz UBVUAQOWVRWUOR-GFCCVEGCSA-N 0 3 322.365 1.216 20 5 DDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000597858481 357361568 /nfs/dbraw/zinc/36/15/68/357361568.db2.gz LZKQSOBDPCJBGC-LBPRGKRZSA-N 0 3 321.377 1.963 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@H]2CCN(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597923124 357383657 /nfs/dbraw/zinc/38/36/57/357383657.db2.gz LSLLQYBUENYKMR-VIFPVBQESA-N 0 3 309.370 1.483 20 5 DDBDHN CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000597944539 357394268 /nfs/dbraw/zinc/39/42/68/357394268.db2.gz DVPSDXDCQYHLAB-ZDUSSCGKSA-N 0 3 321.377 1.699 20 5 DDBDHN CC[C@@H]1CN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598535880 357625132 /nfs/dbraw/zinc/62/51/32/357625132.db2.gz KMTODKILHRAAOM-CMPLNLGQSA-N 0 3 306.366 1.849 20 5 DDBDHN COC(=O)c1ccnc(N(C)C[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000598599038 357648535 /nfs/dbraw/zinc/64/85/35/357648535.db2.gz XGYCLEANRXFIBH-LLVKDONJSA-N 0 3 322.365 1.554 20 5 DDBDHN COc1ccc(C(=O)N2CCN[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000598576306 357638995 /nfs/dbraw/zinc/63/89/95/357638995.db2.gz QTGRFTFHSVAHGT-LBPRGKRZSA-N 0 3 307.350 1.673 20 5 DDBDHN COCCNCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913239 357756792 /nfs/dbraw/zinc/75/67/92/357756792.db2.gz FZUCLJVZIDARSF-UHFFFAOYSA-N 0 3 300.290 1.091 20 5 DDBDHN CCOc1ccc([C@H](C)NC[C@@H]2COCCN2C)cc1[N+](=O)[O-] ZINC000599080711 357809041 /nfs/dbraw/zinc/80/90/41/357809041.db2.gz QNDPCQBMRRAMLA-GXTWGEPZSA-N 0 3 323.393 1.975 20 5 DDBDHN NC(=O)[C@@H]1CCCN1CCCNCc1cccc([N+](=O)[O-])c1 ZINC000598991441 357786164 /nfs/dbraw/zinc/78/61/64/357786164.db2.gz YYQBGPXGWVIQES-AWEZNQCLSA-N 0 3 306.366 1.024 20 5 DDBDHN CN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C2CC2)C1 ZINC000347890593 283291587 /nfs/dbraw/zinc/29/15/87/283291587.db2.gz KDWBUUSUFWJTHN-GFCCVEGCSA-N 0 3 321.381 1.222 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2CC=CC2)cc1 ZINC000600751374 358307458 /nfs/dbraw/zinc/30/74/58/358307458.db2.gz QRPWHVSTEUWINY-UHFFFAOYSA-N 0 3 310.375 1.924 20 5 DDBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000601422097 358545236 /nfs/dbraw/zinc/54/52/36/358545236.db2.gz PJAIUCMEJCSJTK-BDAKNGLRSA-N 0 3 319.408 1.369 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCOC[C@@H](C2CCC2)C1 ZINC000602843253 359231166 /nfs/dbraw/zinc/23/11/66/359231166.db2.gz ZLUOECNMCCAGHE-AWEZNQCLSA-N 0 3 308.382 1.848 20 5 DDBDHN CC(=O)NCC[C@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602831817 359223709 /nfs/dbraw/zinc/22/37/09/359223709.db2.gz IFZYVOBZDNMMJN-CQSZACIVSA-N 0 3 323.397 1.338 20 5 DDBDHN CSC[C@H](O)CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602961777 359325671 /nfs/dbraw/zinc/32/56/71/359325671.db2.gz CQFFOHMIZIKMSO-CHWSQXEVSA-N 0 3 300.380 1.116 20 5 DDBDHN C[C@@H]1CN(CCN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000602963674 359326374 /nfs/dbraw/zinc/32/63/74/359326374.db2.gz YHHHEXCGIUBFBN-CJNGLKHVSA-N 0 3 323.393 1.113 20 5 DDBDHN CN(C)C1(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N)CCC1 ZINC000187941609 200180920 /nfs/dbraw/zinc/18/09/20/200180920.db2.gz WXTLEOHZYWJFFP-UHFFFAOYSA-N 0 3 306.366 1.733 20 5 DDBDHN C[C@@H]1CC[C@](CO)(N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000187982194 200186608 /nfs/dbraw/zinc/18/66/08/200186608.db2.gz VYNUQHZYQBGADJ-BZNIZROVSA-N 0 3 321.377 1.677 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000610654057 360492185 /nfs/dbraw/zinc/49/21/85/360492185.db2.gz GVVMHBIWPJJXLJ-QWRGUYRKSA-N 0 3 321.381 1.268 20 5 DDBDHN CN(C)[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1O ZINC000292449636 223088461 /nfs/dbraw/zinc/08/84/61/223088461.db2.gz WRTVGVJOGXOKRN-RYUDHWBXSA-N 0 3 319.283 1.725 20 5 DDBDHN CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292760787 223235923 /nfs/dbraw/zinc/23/59/23/223235923.db2.gz SHWIQIVOHMIYJI-UHFFFAOYSA-N 0 3 305.256 1.905 20 5 DDBDHN CN(C(=O)COc1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000193322433 201029042 /nfs/dbraw/zinc/02/90/42/201029042.db2.gz DVVNUZUQFSXYPL-UHFFFAOYSA-N 0 3 307.350 1.526 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCC[NH3+])c1C ZINC000194741382 201280179 /nfs/dbraw/zinc/28/01/79/201280179.db2.gz FIJQGNZEJXNPBQ-UHFFFAOYSA-N 0 3 301.368 1.229 20 5 DDBDHN CCO[C@H]1COCC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000362022921 299986811 /nfs/dbraw/zinc/98/68/11/299986811.db2.gz HPIDIZZXBXKCLT-GJZGRUSLSA-N 0 3 310.350 1.757 20 5 DDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000288473185 220165766 /nfs/dbraw/zinc/16/57/66/220165766.db2.gz QNGMAAAPGGREKA-DGCLKSJQSA-N 0 3 318.377 1.876 20 5 DDBDHN CN(C)CCn1nccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000359489517 299457637 /nfs/dbraw/zinc/45/76/37/299457637.db2.gz IEWGNROWMGFBAH-UHFFFAOYSA-N 0 3 321.312 1.744 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@H](N3CCCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000104887872 194049989 /nfs/dbraw/zinc/04/99/89/194049989.db2.gz NWOSROMDOKRRFM-LBPRGKRZSA-N 0 3 318.377 1.796 20 5 DDBDHN NC(=O)C[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000339139772 250312152 /nfs/dbraw/zinc/31/21/52/250312152.db2.gz JEECMDPSJQFTTQ-LBPRGKRZSA-N 0 3 307.350 1.704 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCN(C(C)C)CC1 ZINC000340618858 251140626 /nfs/dbraw/zinc/14/06/26/251140626.db2.gz ARKVMRPSXBPFRK-UHFFFAOYSA-N 0 3 306.366 1.855 20 5 DDBDHN COc1cc(CN2C[C@H](C(N)=O)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352404120 285028536 /nfs/dbraw/zinc/02/85/36/285028536.db2.gz CGCLMCGKIYZDIR-ZYHUDNBSSA-N 0 3 307.350 1.689 20 5 DDBDHN CO[C@@](C)([C@@H](C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000411961720 533005792 /nfs/dbraw/zinc/00/57/92/533005792.db2.gz ARYAVSIGVZATJT-HWPZZCPQSA-N 0 3 321.377 1.987 20 5 DDBDHN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1=CCN(C)CC1 ZINC000272915910 210303024 /nfs/dbraw/zinc/30/30/24/210303024.db2.gz JWRVJVLPGVHNJX-SECBINFHSA-N 0 3 322.340 1.696 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCN(CCCO)C1 ZINC000295022893 224386023 /nfs/dbraw/zinc/38/60/23/224386023.db2.gz CLCBIWRQMZBRJT-OAHLLOKOSA-N 0 3 307.394 1.840 20 5 DDBDHN COCCN(C)CCCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000490636811 533311645 /nfs/dbraw/zinc/31/16/45/533311645.db2.gz DWMWSYJFBXKOBB-FPLPWBNLSA-N 0 3 321.377 1.693 20 5 DDBDHN CCN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068127859 406617698 /nfs/dbraw/zinc/61/76/98/406617698.db2.gz SINACVBUZDOBTL-UHFFFAOYSA-N 0 3 306.366 1.561 20 5 DDBDHN C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)N(C)C1CC1 ZINC000068216794 406625906 /nfs/dbraw/zinc/62/59/06/406625906.db2.gz XDEKJGZNXZTWIQ-VIFPVBQESA-N 0 3 317.349 1.684 20 5 DDBDHN CC(=O)NC1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000050989796 407133105 /nfs/dbraw/zinc/13/31/05/407133105.db2.gz DALLVQNHMKIOOR-UHFFFAOYSA-N 0 3 321.377 1.964 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1CO ZINC000101546690 407310658 /nfs/dbraw/zinc/31/06/58/407310658.db2.gz GNENHLPKUWEYGY-GFCCVEGCSA-N 0 3 323.349 1.389 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2C[C@@H](O)c2ccco2)n1 ZINC000151792797 407498493 /nfs/dbraw/zinc/49/84/93/407498493.db2.gz OGPODFUSTUFHKG-QWHCGFSZSA-N 0 3 320.349 1.972 20 5 DDBDHN CCN(C)CCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000112926237 407447715 /nfs/dbraw/zinc/44/77/15/407447715.db2.gz HXBQHWLKEJUPSB-UHFFFAOYSA-N 0 3 311.338 1.050 20 5 DDBDHN CCC[C@@](C)(N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000261674241 407573889 /nfs/dbraw/zinc/57/38/89/407573889.db2.gz HMSLGQHGRCRUNH-MRXNPFEDSA-N 0 3 320.393 1.761 20 5 DDBDHN CC(C)OC(=O)C[C@H](NC(=O)[C@@H](C)N)c1ccccc1[N+](=O)[O-] ZINC000151857162 407514737 /nfs/dbraw/zinc/51/47/37/407514737.db2.gz BWAXXYVZYFQEFT-PWSUYJOCSA-N 0 3 323.349 1.441 20 5 DDBDHN COc1cc(C(=O)NC[C@@H]2CCN(C)C2)cc([N+](=O)[O-])c1OC ZINC000265950217 407522246 /nfs/dbraw/zinc/52/22/46/407522246.db2.gz MGSWJNOHXVJWLC-JTQLQIEISA-N 0 3 323.349 1.294 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-]C2(C[NH3+])CCCC2)c([N+](=O)[O-])c1 ZINC000237735782 407839112 /nfs/dbraw/zinc/83/91/12/407839112.db2.gz DLBHTZRFHSXGBP-UHFFFAOYSA-N 0 3 313.379 1.453 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)cnc1NCCCN1CCC(O)CC1 ZINC000153604988 407862173 /nfs/dbraw/zinc/86/21/73/407862173.db2.gz SYXKIHHDHTXMJJ-UHFFFAOYSA-N 0 3 314.773 1.902 20 5 DDBDHN COC(=O)c1cc(C(=O)N2C[C@@H](C)NC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000272501711 407951098 /nfs/dbraw/zinc/95/10/98/407951098.db2.gz DUIFYYWDEUADPF-NXEZZACHSA-N 0 3 321.333 1.204 20 5 DDBDHN CNC(=O)c1ccc(N[C@@H]2CN(C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000268171914 407925257 /nfs/dbraw/zinc/92/52/57/407925257.db2.gz QTWXJGVYMYZILG-IINYFYTJSA-N 0 3 318.377 1.849 20 5 DDBDHN CN(C)C[C@H]1CCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000268197780 407942818 /nfs/dbraw/zinc/94/28/18/407942818.db2.gz SXYZEQHYPFVMSE-CYBMUJFWSA-N 0 3 320.393 1.584 20 5 DDBDHN CN(CCN(C)c1ccccc1)CCn1ccc([N+](=O)[O-])n1 ZINC000176236268 408320136 /nfs/dbraw/zinc/32/01/36/408320136.db2.gz MQWAAYFINZWGAL-UHFFFAOYSA-N 0 3 303.366 1.860 20 5 DDBDHN CCN1CCN(CCC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000122328474 408282389 /nfs/dbraw/zinc/28/23/89/408282389.db2.gz PGYQIIOEMLBNGD-UHFFFAOYSA-N 0 3 320.393 1.239 20 5 DDBDHN CN1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cn2)C1 ZINC000131941473 162026769 /nfs/dbraw/zinc/02/67/69/162026769.db2.gz OXYUEYIJUHKHFX-VIFPVBQESA-N 0 3 321.366 1.079 20 5 DDBDHN CN1CC[C@H](Cn2nnnc2Sc2ncccc2[N+](=O)[O-])C1 ZINC000131944184 162026893 /nfs/dbraw/zinc/02/68/93/162026893.db2.gz ICLRYJNBQHHAFA-VIFPVBQESA-N 0 3 321.366 1.079 20 5 DDBDHN NC(=O)C[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269631601 408368312 /nfs/dbraw/zinc/36/83/12/408368312.db2.gz FWXWSESOKRYCRB-SMDDNHRTSA-N 0 3 307.350 1.216 20 5 DDBDHN CC(C)N(C)c1ccc(CNCCn2cc([N+](=O)[O-])cn2)cn1 ZINC000191365066 408412079 /nfs/dbraw/zinc/41/20/79/408412079.db2.gz KKTNBVIBVARIID-UHFFFAOYSA-N 0 3 318.381 1.821 20 5 DDBDHN COc1ccc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000177130294 408527886 /nfs/dbraw/zinc/52/78/86/408527886.db2.gz DECHSJVQDGHIHW-PWSUYJOCSA-N 0 3 319.361 1.958 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177198707 408549514 /nfs/dbraw/zinc/54/95/14/408549514.db2.gz SKEKEJPYNHMTPE-NEPJUHHUSA-N 0 3 319.361 1.715 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@]2(CCOC2)C1 ZINC000248466316 408574432 /nfs/dbraw/zinc/57/44/32/408574432.db2.gz SEJHFPFMMJRKGZ-CZUORRHYSA-N 0 3 322.361 1.447 20 5 DDBDHN C[C@@H](c1ccncc1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270551591 408576268 /nfs/dbraw/zinc/57/62/68/408576268.db2.gz BLHSPPCOVNJLTH-FZMZJTMJSA-N 0 3 305.338 1.240 20 5 DDBDHN C[C@@H]1C[C@@H](O)C[C@H](C)N1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248697402 408618831 /nfs/dbraw/zinc/61/88/31/408618831.db2.gz ARTFGOJESFOSBV-XJFOESAGSA-N 0 3 324.377 1.568 20 5 DDBDHN CN(C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000270690686 408638377 /nfs/dbraw/zinc/63/83/77/408638377.db2.gz XPNUIBALBSORNM-UHFFFAOYSA-N 0 3 300.746 1.609 20 5 DDBDHN Cn1ccnc1[C@H]1OCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000275693653 408649667 /nfs/dbraw/zinc/64/96/67/408649667.db2.gz XCROKVNSYLMXEU-KBPBESRZSA-N 0 3 302.334 1.948 20 5 DDBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270746069 408663414 /nfs/dbraw/zinc/66/34/14/408663414.db2.gz HFGOYJOEADUIFR-GRYCIOLGSA-N 0 3 323.397 1.425 20 5 DDBDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000163605446 408783933 /nfs/dbraw/zinc/78/39/33/408783933.db2.gz ROOLIICVJQQSGG-NSHDSACASA-N 0 3 323.397 1.569 20 5 DDBDHN CN(C)c1ccc([N+](=O)[O-])c(OC[C@H](O)CN(C)C2CC2)c1 ZINC000290794695 408834386 /nfs/dbraw/zinc/83/43/86/408834386.db2.gz OVLVVBFCSUBFLV-CYBMUJFWSA-N 0 3 309.366 1.495 20 5 DDBDHN O=c1nc(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[nH][n-]1 ZINC000280974676 408868337 /nfs/dbraw/zinc/86/83/37/408868337.db2.gz KUHUUVXDBIVZCU-UHFFFAOYSA-N 0 3 317.349 1.428 20 5 DDBDHN Cc1nn(C)c(C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000287136191 409003762 /nfs/dbraw/zinc/00/37/62/409003762.db2.gz MZVULMCHDULCAI-NWDGAFQWSA-N 0 3 321.381 1.336 20 5 DDBDHN C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3nonc32)[C@H](C)C1 ZINC000277791501 409012537 /nfs/dbraw/zinc/01/25/37/409012537.db2.gz NJIXGLTXAXHXQR-ZJUUUORDSA-N 0 3 321.337 1.022 20 5 DDBDHN CN1CC[C@]2(CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292307927 409021975 /nfs/dbraw/zinc/02/19/75/409021975.db2.gz NDSGJJRGPBQLAQ-INIZCTEOSA-N 0 3 319.361 1.528 20 5 DDBDHN CC[C@H](CO)N1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277847503 409022577 /nfs/dbraw/zinc/02/25/77/409022577.db2.gz NBSFEGKTQSZELB-LLVKDONJSA-N 0 3 319.365 1.364 20 5 DDBDHN CCOC(=O)c1ccnc(N2C[C@H]3CN(C)C[C@H]3C2)c1[N+](=O)[O-] ZINC000278793468 409089407 /nfs/dbraw/zinc/08/94/07/409089407.db2.gz QMKPPEHQOCXJAW-PHIMTYICSA-N 0 3 320.349 1.164 20 5 DDBDHN COC[C@@H](NCCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000279091240 409147209 /nfs/dbraw/zinc/14/72/09/409147209.db2.gz PIGBTSGQRFHKNK-HUUCEWRRSA-N 0 3 310.350 1.757 20 5 DDBDHN CC(C)N(CCOCCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000283773301 409213925 /nfs/dbraw/zinc/21/39/25/409213925.db2.gz PQEHCUIKHRTBKU-HNNXBMFYSA-N 0 3 312.366 1.348 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2C)c1 ZINC000283933076 409242725 /nfs/dbraw/zinc/24/27/25/409242725.db2.gz KNRYOXBMLCGTRP-LLVKDONJSA-N 0 3 307.350 1.818 20 5 DDBDHN CO[C@]1(C)CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000280359178 409299630 /nfs/dbraw/zinc/29/96/30/409299630.db2.gz JPMIMRMNTQOBSB-OAHLLOKOSA-N 0 3 309.366 1.648 20 5 DDBDHN COc1c(C(=O)N2CC[C@]3(CCN(C)C3)C2)cccc1[N+](=O)[O-] ZINC000346316716 409910557 /nfs/dbraw/zinc/91/05/57/409910557.db2.gz IAPXYKOSDCXJHG-INIZCTEOSA-N 0 3 319.361 1.771 20 5 DDBDHN Cc1[nH]nc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346244105 409870887 /nfs/dbraw/zinc/87/08/87/409870887.db2.gz UNHIFFSBEGBRHS-JFGNBEQYSA-N 0 3 321.381 1.429 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346244105 409870891 /nfs/dbraw/zinc/87/08/91/409870891.db2.gz UNHIFFSBEGBRHS-JFGNBEQYSA-N 0 3 321.381 1.429 20 5 DDBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H](C)C1 ZINC000346229483 409872404 /nfs/dbraw/zinc/87/24/04/409872404.db2.gz MBNUOODYTMMJMR-HOSYDEDBSA-N 0 3 307.354 1.120 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000357457084 410051098 /nfs/dbraw/zinc/05/10/98/410051098.db2.gz VAALKWLSJYAIDC-UONOGXRCSA-N 0 3 306.366 1.417 20 5 DDBDHN C[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(C)C ZINC000298337035 410185037 /nfs/dbraw/zinc/18/50/37/410185037.db2.gz HBASAKZKQHPPMR-LLVKDONJSA-N 0 3 317.349 1.460 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358407957 410462630 /nfs/dbraw/zinc/46/26/30/410462630.db2.gz GCOLWDDGDUCFRG-BONVTDFDSA-N 0 3 321.352 1.875 20 5 DDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000343621191 410576080 /nfs/dbraw/zinc/57/60/80/410576080.db2.gz HGEVEXOJJMCNAL-NWDGAFQWSA-N 0 3 318.377 1.757 20 5 DDBDHN Cc1cnc(NC[C@@H](O)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000301440198 410721301 /nfs/dbraw/zinc/72/13/01/410721301.db2.gz MBDKFMFSMWARGB-CYBMUJFWSA-N 0 3 308.382 1.803 20 5 DDBDHN CCN1CCC(N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000330641794 410845679 /nfs/dbraw/zinc/84/56/79/410845679.db2.gz XIEODOKEFTWIJJ-UHFFFAOYSA-N 0 3 309.370 1.124 20 5 DDBDHN COc1ccc(OCCN2C[C@@H]3CC[C@@H](O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000344054450 410923776 /nfs/dbraw/zinc/92/37/76/410923776.db2.gz IXZSRJJQWUKLAJ-CORIIIEPSA-N 0 3 322.361 1.685 20 5 DDBDHN CS[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000271628936 209075380 /nfs/dbraw/zinc/07/53/80/209075380.db2.gz NINLTHNWWAMWJU-OLZOCXBDSA-N 0 3 324.406 1.176 20 5 DDBDHN CCCNC(=O)C1(NCCn2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000132290473 196242362 /nfs/dbraw/zinc/24/23/62/196242362.db2.gz LXQYQVDEWFPJPW-UHFFFAOYSA-N 0 3 323.397 1.610 20 5 DDBDHN CN1CC[C@](O)(CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000613049712 416674334 /nfs/dbraw/zinc/67/43/34/416674334.db2.gz ORKFNVVUYQPFPU-AWEZNQCLSA-N 0 3 303.322 1.017 20 5 DDBDHN CN(C)CCn1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000338646861 418620266 /nfs/dbraw/zinc/62/02/66/418620266.db2.gz LRQSHUPZTLEOKS-UHFFFAOYSA-N 0 3 309.351 1.667 20 5 DDBDHN CN1CC[C@](O)(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000358056822 418652464 /nfs/dbraw/zinc/65/24/64/418652464.db2.gz BQPBHOINOVFAMS-ZDUSSCGKSA-N 0 3 313.741 1.045 20 5 DDBDHN CCCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420996384 419433296 /nfs/dbraw/zinc/43/32/96/419433296.db2.gz ASIHCLMGNBBSEO-UHFFFAOYSA-N 0 3 301.368 1.215 20 5 DDBDHN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCCN1C ZINC000421003171 419440455 /nfs/dbraw/zinc/44/04/55/419440455.db2.gz MWACXAADCICEON-AWEZNQCLSA-N 0 3 321.377 1.987 20 5 DDBDHN Cc1nc([C@H]2CCN(CCOc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000412033742 419576974 /nfs/dbraw/zinc/57/69/74/419576974.db2.gz SFUVQOMIDIIIJJ-LBPRGKRZSA-N 0 3 317.349 1.890 20 5 DDBDHN Cc1n[nH]c([C@H]2CCN(CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000412033742 419576982 /nfs/dbraw/zinc/57/69/82/419576982.db2.gz SFUVQOMIDIIIJJ-LBPRGKRZSA-N 0 3 317.349 1.890 20 5 DDBDHN Cc1nnc([C@H]2CCN(CCOc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000412033742 419576986 /nfs/dbraw/zinc/57/69/86/419576986.db2.gz SFUVQOMIDIIIJJ-LBPRGKRZSA-N 0 3 317.349 1.890 20 5 DDBDHN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCN2CCC[C@@H]2C1 ZINC000299399633 229098701 /nfs/dbraw/zinc/09/87/01/229098701.db2.gz KEORYNAYEXGBGY-GFCCVEGCSA-N 0 3 314.345 1.996 20 5 DDBDHN CN(CCCNC(=O)C1CCC1)CCn1cc([N+](=O)[O-])cn1 ZINC000429537235 420023996 /nfs/dbraw/zinc/02/39/96/420023996.db2.gz DYYKJWWDGCGPDI-UHFFFAOYSA-N 0 3 309.370 1.030 20 5 DDBDHN Cc1c(CC(=O)NC[C@](C)(O)CCN(C)C)cccc1[N+](=O)[O-] ZINC000420025036 420097114 /nfs/dbraw/zinc/09/71/14/420097114.db2.gz ZKTHDNNPOYORHO-MRXNPFEDSA-N 0 3 323.393 1.265 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CNCCC1(F)F ZINC000423698004 420130626 /nfs/dbraw/zinc/13/06/26/420130626.db2.gz MAELICUPCLDFCX-GFCCVEGCSA-N 0 3 313.304 1.939 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CNCCO1 ZINC000415664850 420141276 /nfs/dbraw/zinc/14/12/76/420141276.db2.gz UOROGOPAWNFAII-NSHDSACASA-N 0 3 324.337 1.103 20 5 DDBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCNC[C@@](C)(F)C1 ZINC000420340454 420220914 /nfs/dbraw/zinc/22/09/14/420220914.db2.gz PHJKYMJDRJYQFN-XHDPSFHLSA-N 0 3 324.356 1.555 20 5 DDBDHN C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H](C)CO ZINC000450738281 420518809 /nfs/dbraw/zinc/51/88/09/420518809.db2.gz MKWWMXXCGDUSOO-GYSYKLTISA-N 0 3 307.350 1.307 20 5 DDBDHN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000495958829 421103585 /nfs/dbraw/zinc/10/35/85/421103585.db2.gz XSKUJHNVVKXABG-NXEZZACHSA-N 0 3 304.343 1.744 20 5 DDBDHN COc1ccc(C(=O)NCCN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000525293087 421286957 /nfs/dbraw/zinc/28/69/57/421286957.db2.gz WHMPMZQFESVUTB-LLVKDONJSA-N 0 3 307.350 1.675 20 5 DDBDHN CCOC(=O)N1CC[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000497225042 421391197 /nfs/dbraw/zinc/39/11/97/421391197.db2.gz FVKLVZPPHZBYSY-JSGCOSHPSA-N 0 3 323.349 1.449 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H](O)COCC1CC1 ZINC000563416477 421506491 /nfs/dbraw/zinc/50/64/91/421506491.db2.gz FZRTYOOBPYNCCC-SWLSCSKDSA-N 0 3 306.362 1.959 20 5 DDBDHN CCC[C@H](C)[C@@H](CO)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000516574133 421554105 /nfs/dbraw/zinc/55/41/05/421554105.db2.gz KYURRRGZMIQAIW-WCQYABFASA-N 0 3 309.366 1.920 20 5 DDBDHN CN(CCn1ccc([N+](=O)[O-])n1)Cc1cc(C(C)(C)C)[nH]n1 ZINC000572206650 421769754 /nfs/dbraw/zinc/76/97/54/421769754.db2.gz STWSNVCMVWDVMK-UHFFFAOYSA-N 0 3 306.370 1.944 20 5 DDBDHN Cc1nn(C)c(C(=O)N2CCCN(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000521141644 421773738 /nfs/dbraw/zinc/77/37/38/421773738.db2.gz TXZVLKBTJSTIGR-UHFFFAOYSA-N 0 3 323.397 1.583 20 5 DDBDHN CC(C)c1ccc(C(=O)N2CCN(C)C[C@@H]2CN)cc1[N+](=O)[O-] ZINC000583563634 422184711 /nfs/dbraw/zinc/18/47/11/422184711.db2.gz MVNVORXABBEIDM-ZDUSSCGKSA-N 0 3 320.393 1.433 20 5 DDBDHN CC[NH2+]CCC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000582240990 422137010 /nfs/dbraw/zinc/13/70/10/422137010.db2.gz WDVOMSNYWAFNED-UHFFFAOYSA-N 0 3 301.368 1.181 20 5 DDBDHN CN(C)[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1cccs1 ZINC000590568667 422319775 /nfs/dbraw/zinc/31/97/75/422319775.db2.gz KGWAGBJMZJVXHY-SNVBAGLBSA-N 0 3 307.379 2.348 20 5 DDBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000597922619 422391620 /nfs/dbraw/zinc/39/16/20/422391620.db2.gz JKTMMTUJDMYVLH-SECBINFHSA-N 0 3 307.354 1.175 20 5 DDBDHN CNc1ccc(C(=O)N2CCC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000316314259 271015822 /nfs/dbraw/zinc/01/58/22/271015822.db2.gz KTQQFMPPLUUZLM-GFCCVEGCSA-N 0 3 306.366 1.803 20 5 DDBDHN CC1(C)CCCN[C@@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423832409 275815050 /nfs/dbraw/zinc/81/50/50/275815050.db2.gz XYZNYQWQGOBXCU-CQSZACIVSA-N 0 3 318.377 1.653 20 5 DDBDHN C[C@H](NC(=O)NC[C@@](C)(O)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000297814672 279438952 /nfs/dbraw/zinc/43/89/52/279438952.db2.gz YXEJHAFIPDPYGS-XHDPSFHLSA-N 0 3 324.381 1.268 20 5 DDBDHN CCS(=O)(=O)NCCCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266847978 280021686 /nfs/dbraw/zinc/02/16/86/280021686.db2.gz IFOHXGZLQKRRND-LLVKDONJSA-N 0 3 315.395 1.575 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)[NH3+])cc1C ZINC000133260664 280655510 /nfs/dbraw/zinc/65/55/10/280655510.db2.gz SMVNXDOKGCCCSG-UHFFFAOYSA-N 0 3 301.368 1.227 20 5 DDBDHN CN(C)CCSCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000120214573 281114915 /nfs/dbraw/zinc/11/49/15/281114915.db2.gz IEVUYFAOJBIRMZ-UHFFFAOYSA-N 0 3 309.391 1.779 20 5 DDBDHN [NH3+]C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000089107837 295251239 /nfs/dbraw/zinc/25/12/39/295251239.db2.gz BARMNQQPICTCSS-WDEREUQCSA-N 0 3 313.379 1.391 20 5 DDBDHN COc1ccc(CN[C@H](C)C[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC000422951210 533694498 /nfs/dbraw/zinc/69/44/98/533694498.db2.gz ZWAARSCEDWYBJX-DGCLKSJQSA-N 0 3 309.366 1.460 20 5 DDBDHN COc1cc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000375901680 302013038 /nfs/dbraw/zinc/01/30/38/302013038.db2.gz CRIOCWMJSJGTAX-HIFRSBDPSA-N 0 3 321.377 1.639 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]2OCC[C@H]21 ZINC000366471708 307074499 /nfs/dbraw/zinc/07/44/99/307074499.db2.gz ICWKESIPZMEXMG-UMVBOHGHSA-N 0 3 322.361 1.588 20 5 DDBDHN O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000371518344 307152346 /nfs/dbraw/zinc/15/23/46/307152346.db2.gz PZSJGTPFBMPSGF-ZDUSSCGKSA-N 0 3 319.361 1.670 20 5 DDBDHN CC[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)N(C)C ZINC000373259334 307182885 /nfs/dbraw/zinc/18/28/85/307182885.db2.gz VIWXNSVHXNYGMG-LBPRGKRZSA-N 0 3 309.370 1.295 20 5 DDBDHN CCOc1ccccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000579582373 308542323 /nfs/dbraw/zinc/54/23/23/308542323.db2.gz XURBOFMKBRHCDG-AWEZNQCLSA-N 0 3 320.349 1.341 20 5 DDBDHN C[C@@]1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC000230736248 484170285 /nfs/dbraw/zinc/17/02/85/484170285.db2.gz MLXULYRCOYFKHD-LLVKDONJSA-N 0 3 319.770 1.279 20 5 DDBDHN CNc1nccc(C(=O)NC2CCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000561332490 484325462 /nfs/dbraw/zinc/32/54/62/484325462.db2.gz FUZVXTAYXDLEFK-UHFFFAOYSA-N 0 3 321.381 1.634 20 5 DDBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCN(C)C1 ZINC000156543346 523851078 /nfs/dbraw/zinc/85/10/78/523851078.db2.gz WOPCRDPINVSIQE-CYBMUJFWSA-N 0 3 309.341 1.829 20 5 DDBDHN CC(C)OC[C@@H](CO)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000433246383 528009168 /nfs/dbraw/zinc/00/91/68/528009168.db2.gz LNVPGDBPMAMSOU-CQSZACIVSA-N 0 3 312.366 1.691 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000776587135 698122614 /nfs/dbraw/zinc/12/26/14/698122614.db2.gz ULYPECVAELXWFB-RBSFLKMASA-N 0 3 324.402 1.835 20 5 DDBDHN Cc1n[nH]c(C(=O)NC[C@@H]2NCCc3ccccc32)c1[N+](=O)[O-] ZINC000262426924 698469131 /nfs/dbraw/zinc/46/91/31/698469131.db2.gz SJSYMTWMOYWBQP-LBPRGKRZSA-N 0 3 315.333 1.243 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2[C@H](O)c2ccccc2)n1 ZINC000879244223 706627611 /nfs/dbraw/zinc/62/76/11/706627611.db2.gz PHSWNPLSDZTMLH-GDBMZVCRSA-N 0 3 316.361 1.989 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000816954721 702238682 /nfs/dbraw/zinc/23/86/82/702238682.db2.gz JJNZEHZHEDHZFL-RNCFNFMXSA-N 0 3 320.305 1.279 20 5 DDBDHN CC(COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N+](=O)[O-] ZINC000813105825 702293199 /nfs/dbraw/zinc/29/31/99/702293199.db2.gz VDMUUWZGGYRIEN-MRVPVSSYSA-N 0 3 307.262 1.827 20 5 DDBDHN CC(COC(=O)[C@@H]1CCCCN1C(=O)c1ccco1)[N+](=O)[O-] ZINC000813106802 702294047 /nfs/dbraw/zinc/29/40/47/702294047.db2.gz IBMFGZCVYJEDJJ-QWRGUYRKSA-N 0 3 310.306 1.483 20 5 DDBDHN CC(COC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)[N+](=O)[O-] ZINC000813106835 702294363 /nfs/dbraw/zinc/29/43/63/702294363.db2.gz INGHCNMBPOYRFN-GHMZBOCLSA-N 0 3 300.355 1.622 20 5 DDBDHN Cc1ccc(CN2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813106639 702294383 /nfs/dbraw/zinc/29/43/83/702294383.db2.gz FXUKSBHFRBZBIR-JSGCOSHPSA-N 0 3 320.345 1.552 20 5 DDBDHN CC(=O)N[C@H](CC(=O)OCC(C)[N+](=O)[O-])c1cccs1 ZINC000813108346 702295227 /nfs/dbraw/zinc/29/52/27/702295227.db2.gz DLETWNMQHCBREZ-PSASIEDQSA-N 0 3 300.336 1.524 20 5 DDBDHN CC(COC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[N+](=O)[O-] ZINC000813113332 702298327 /nfs/dbraw/zinc/29/83/27/702298327.db2.gz YOIHQRIHOHVGHL-MRVPVSSYSA-N 0 3 308.250 1.153 20 5 DDBDHN COc1cn(-c2ccccc2)nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813115797 702299965 /nfs/dbraw/zinc/29/99/65/702299965.db2.gz ZUIDZOJLDZYKOI-JTQLQIEISA-N 0 3 305.290 1.703 20 5 DDBDHN C[C@H](NC[C@]12COC(=O)N1CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000866519951 706719778 /nfs/dbraw/zinc/71/97/78/706719778.db2.gz YPZLHTPHLPASKD-NHYWBVRUSA-N 0 3 321.333 1.467 20 5 DDBDHN COc1ccc(CC(=O)[N-]OC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000846647409 703307285 /nfs/dbraw/zinc/30/72/85/703307285.db2.gz KRILUZZUKJPTTG-UHFFFAOYSA-N 0 3 323.349 1.288 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)OC[C@H](C)N2CCCCC2)n1 ZINC000847961723 703487827 /nfs/dbraw/zinc/48/78/27/703487827.db2.gz CJTKUUJOTVUIFO-NSHDSACASA-N 0 3 310.354 1.842 20 5 DDBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@]1(O)CCc2ccccc21 ZINC000829338053 706320894 /nfs/dbraw/zinc/32/08/94/706320894.db2.gz QLFNREHEVAQVMW-MRXNPFEDSA-N 0 3 316.361 1.557 20 5 DDBDHN O=C1NCCC12CCN(Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000879917187 706818658 /nfs/dbraw/zinc/81/86/58/706818658.db2.gz BTINZMLWUSTTER-UHFFFAOYSA-N 0 3 307.325 1.836 20 5 DDBDHN CCN(CCn1ccc([N+](=O)[O-])n1)[C@H](CO)c1ccccc1 ZINC000880461950 706982412 /nfs/dbraw/zinc/98/24/12/706982412.db2.gz NXQWNTOQBIQXIC-CQSZACIVSA-N 0 3 304.350 1.847 20 5 DDBDHN CN(C)Cc1cccc(C(=O)OCCn2cnc([N+](=O)[O-])n2)c1 ZINC000835207448 707195779 /nfs/dbraw/zinc/19/57/79/707195779.db2.gz KBCMXUCWEBPWDK-UHFFFAOYSA-N 0 3 319.321 1.105 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCCN3CCO)c1 ZINC000897221629 708259153 /nfs/dbraw/zinc/25/91/53/708259153.db2.gz NXPCAXCOMKJUPJ-KGLIPLIRSA-N 0 3 305.378 1.939 20 5 DDBDHN COC(=O)c1cnc(NCCN2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000897247772 708267956 /nfs/dbraw/zinc/26/79/56/708267956.db2.gz DQXCGIOVFMRIFH-UHFFFAOYSA-N 0 3 322.365 1.920 20 5 DDBDHN Cn1cnc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000898043214 708526967 /nfs/dbraw/zinc/52/69/67/708526967.db2.gz IMGXDLNCBCWLEX-UHFFFAOYSA-N 0 3 316.365 1.482 20 5 DDBDHN O=C(NC[C@@H]1CCN1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000885857334 708640682 /nfs/dbraw/zinc/64/06/82/708640682.db2.gz AYCWYMOOHKFWBY-ZDUSSCGKSA-N 0 3 319.361 1.578 20 5 DDBDHN CN(C)C[C@H]1NC(=O)N(c2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000899304767 709051532 /nfs/dbraw/zinc/05/15/32/709051532.db2.gz DJSFOPRVRNAOSP-SECBINFHSA-N 0 3 312.713 1.235 20 5 DDBDHN O=[N+]([O-])CCNC[C@H](CO)Cc1cccc(Br)c1 ZINC000905368192 712018081 /nfs/dbraw/zinc/01/80/81/712018081.db2.gz YSOYQBJZIIZJOW-LLVKDONJSA-N 0 3 317.183 1.466 20 5 DDBDHN CCN1CCC[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000905551885 712074956 /nfs/dbraw/zinc/07/49/56/712074956.db2.gz OBKMEDASBIVXFO-UONOGXRCSA-N 0 3 307.350 1.229 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@@H](O)c2ccco2)c1 ZINC000915223428 713413485 /nfs/dbraw/zinc/41/34/85/713413485.db2.gz JIVUAODLYVAKII-TZMCWYRMSA-N 0 3 322.317 1.251 20 5 DDBDHN CSCC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000932590452 714363415 /nfs/dbraw/zinc/36/34/15/714363415.db2.gz FAKRSARNQXFYNW-UHFFFAOYSA-N 0 3 311.407 1.832 20 5 DDBDHN O=[N+]([O-])c1ncccc1CN1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934275915 714784367 /nfs/dbraw/zinc/78/43/67/714784367.db2.gz RXEXAESRAXJRFJ-ZIAGYGMSSA-N 0 3 306.366 1.021 20 5 DDBDHN C[C@H]1[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCN1C ZINC000925343007 714820362 /nfs/dbraw/zinc/82/03/62/714820362.db2.gz KVTHVQZDCIDNMQ-GXTWGEPZSA-N 0 3 320.393 1.871 20 5 DDBDHN CC(=O)N1CCc2cc(N[C@H]3CCN(C)C3)cc([N+](=O)[O-])c21 ZINC001167280647 732895210 /nfs/dbraw/zinc/89/52/10/732895210.db2.gz AGXAFPWONUALSP-LBPRGKRZSA-N 0 3 304.350 1.620 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1N[C@@H]1COCCC13OCCO3)CNC2 ZINC001168352343 742218070 /nfs/dbraw/zinc/21/80/70/742218070.db2.gz DPEPYGZTJAKRCJ-CQSZACIVSA-N 0 3 321.333 1.142 20 5 DDBDHN CN1CCN(C(=N)Nc2ncc(C(C)(C)C)cc2[N+](=O)[O-])CC1 ZINC001168735015 748384334 /nfs/dbraw/zinc/38/43/34/748384334.db2.gz FVOFVRPOCALLMK-UHFFFAOYSA-N 0 3 320.397 1.881 20 5 DDBDHN O=C(CC1CCOCC1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125050432 748810233 /nfs/dbraw/zinc/81/02/33/748810233.db2.gz OGCMQPIODGLAFZ-UHFFFAOYSA-N 0 3 321.377 1.617 20 5 DDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(Cc3ccncc3)CC2)C1 ZINC001169024931 762202244 /nfs/dbraw/zinc/20/22/44/762202244.db2.gz HVZPEROECIXDMQ-CVEARBPZSA-N 0 3 304.394 1.645 20 5 DDBDHN CCOC(=O)[C@@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCS1 ZINC001169046745 762204756 /nfs/dbraw/zinc/20/47/56/762204756.db2.gz MKCKNRQCOBDCHI-UTUOFQBUSA-N 0 3 302.396 1.412 20 5 DDBDHN CCCN(C)CC(=O)N(C)CCCNc1ccc([N+](=O)[O-])cn1 ZINC001109496184 763754513 /nfs/dbraw/zinc/75/45/13/763754513.db2.gz HGABYUUPGLDLDU-UHFFFAOYSA-N 0 3 323.397 1.592 20 5 DDBDHN Cc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)ccn1 ZINC001135559572 771577860 /nfs/dbraw/zinc/57/78/60/771577860.db2.gz QBPDHIGMNXZWOP-UHFFFAOYSA-N 0 3 314.345 1.818 20 5 DDBDHN CCN(C)C(C)(C)C(=O)NCCNc1ncccc1[N+](=O)[O-] ZINC001093953265 775262186 /nfs/dbraw/zinc/26/21/86/775262186.db2.gz UFTAGJPRIGPOQH-UHFFFAOYSA-N 0 3 309.370 1.248 20 5 DDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2[C@H](C1)OCCN2C ZINC001173220966 777053363 /nfs/dbraw/zinc/05/33/63/777053363.db2.gz DTOUANAQJFLNGQ-WQVCFCJDSA-N 0 3 305.378 1.541 20 5 DDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](O)[C@](C)(CO)C1 ZINC001173222734 777056033 /nfs/dbraw/zinc/05/60/33/777056033.db2.gz UZRGCJRGYOHNDL-WQVCFCJDSA-N 0 3 308.378 1.591 20 5 DDBDHN C[C@H](NC[C@@H](O)C[C@@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC001176036340 778008720 /nfs/dbraw/zinc/00/87/20/778008720.db2.gz JZVXUODQWUAAJZ-CQDKDKBSSA-N 0 3 310.350 1.148 20 5 DDBDHN C[C@]1(CO)CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001116361045 780500398 /nfs/dbraw/zinc/50/03/98/780500398.db2.gz FCCJVVVFSCJCGP-ZBFHGGJFSA-N 0 3 324.377 1.429 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC001118740954 781228253 /nfs/dbraw/zinc/22/82/53/781228253.db2.gz UWOSVNVCIGTLGW-CQSZACIVSA-N 0 3 306.366 1.707 20 5 DDBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)n1 ZINC001150120258 862099747 /nfs/dbraw/zinc/09/97/47/862099747.db2.gz UWVZJAYITBMNDV-LKFCYVNXSA-N 0 3 304.350 1.511 20 5 DDBDHN Cc1nn(CCC(=O)N2[C@H](C)CN[C@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC001122182501 858705015 /nfs/dbraw/zinc/70/50/15/858705015.db2.gz VUIGWRZUCTXQQV-FOGDFJRCSA-N 0 3 323.397 1.396 20 5 DDBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1cnccn1 ZINC001154260726 860929938 /nfs/dbraw/zinc/92/99/38/860929938.db2.gz LVTFZFBERNGGBR-UHFFFAOYSA-N 0 3 321.362 1.356 20 5 DDBDHN O=C([O-])C[NH+]1CCC(NCCc2ccccc2[N+](=O)[O-])CC1 ZINC001331952048 865454889 /nfs/dbraw/zinc/45/48/89/865454889.db2.gz KGCBRSGONOWNQP-UHFFFAOYSA-N 0 3 307.350 1.276 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1-c1nc([C@@H]2CN3CCC2CC3)no1 ZINC001320327797 866647345 /nfs/dbraw/zinc/64/73/45/866647345.db2.gz MPFRROCQBPCMDV-SECBINFHSA-N 0 3 304.310 1.188 20 5 DDBDHN CNc1c(C(=O)NCCN2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001320379468 866691560 /nfs/dbraw/zinc/69/15/60/866691560.db2.gz UXLPKYCCRPIZKE-NSHDSACASA-N 0 3 306.366 1.708 20 5 DDBDHN CN1CCN(CCCNc2cc([N+](=O)[O-])c3nccn3c2)CC1 ZINC001161708605 866920880 /nfs/dbraw/zinc/92/08/80/866920880.db2.gz OISCZVIEAKPBRM-UHFFFAOYSA-N 0 3 318.381 1.292 20 5 DDBDHN Cn1nnnc1CCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC001333895176 867127779 /nfs/dbraw/zinc/12/77/79/867127779.db2.gz LEKARXYUVYJLIN-UHFFFAOYSA-N 0 3 310.745 1.494 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC001324580462 867372654 /nfs/dbraw/zinc/37/26/54/867372654.db2.gz MLGVWEUIYPRSNJ-QMTHXVAHSA-N 0 3 304.350 1.413 20 5 DDBDHN CCC(=O)NCCC1(CNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001163035811 868020885 /nfs/dbraw/zinc/02/08/85/868020885.db2.gz FNHBRTOJCQTSEP-UHFFFAOYSA-N 0 3 309.370 1.114 20 5 DDBDHN Cc1c[n+]([O-])c(N[C@H]2CCCC[C@@]23CNCCO3)cc1[N+](=O)[O-] ZINC001163645896 868587951 /nfs/dbraw/zinc/58/79/51/868587951.db2.gz HNYLNOWWUUXKCK-DZGCQCFKSA-N 0 3 322.365 1.250 20 5 DDBDHN COc1ncc([N+](=O)[O-])cc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001163650386 868594193 /nfs/dbraw/zinc/59/41/93/868594193.db2.gz NUIAZWRIPZMLMA-DZGCQCFKSA-N 0 3 322.365 1.712 20 5 DDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CN2CCC1CC2 ZINC001347226744 874064688 /nfs/dbraw/zinc/06/46/88/874064688.db2.gz GWUCUVWFIPNNMV-CQSZACIVSA-N 0 3 318.377 1.607 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC001216480419 876955924 /nfs/dbraw/zinc/95/59/24/876955924.db2.gz OOXXHZJHZFUMOH-JQWIXIFHSA-N 0 3 319.365 1.324 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCc1c[n-][nH]c1=O ZINC001254536839 896491118 /nfs/dbraw/zinc/49/11/18/896491118.db2.gz UJTZEQDTZJSTBG-YPMHNXCESA-N 0 3 304.350 1.627 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cncc(C(N)=O)c1 ZINC001254547652 896496888 /nfs/dbraw/zinc/49/68/88/896496888.db2.gz DFGNHWCZNMLXRB-NSHDSACASA-N 0 3 314.345 1.810 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@@H]1COCCC13OCCO3)C2 ZINC001254576201 896510579 /nfs/dbraw/zinc/51/05/79/896510579.db2.gz VBMAOHJQUJCVLB-UKRRQHHQSA-N 0 3 320.345 1.184 20 5 DDBDHN CN1CCN(CCC(C)(C)Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000302241835 530072011 /nfs/dbraw/zinc/07/20/11/530072011.db2.gz ITALNBXVHNZBDK-UHFFFAOYSA-N 0 3 307.398 1.818 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000330909830 232155084 /nfs/dbraw/zinc/15/50/84/232155084.db2.gz PCAOEXHMXVKKFG-CMPLNLGQSA-N 0 3 309.370 1.089 20 5 DDBDHN COCC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181875350 186213682 /nfs/dbraw/zinc/21/36/82/186213682.db2.gz YECSXHSDGRRRLQ-AWEZNQCLSA-N 0 3 324.377 1.693 20 5 DDBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NC1CCN(C2CC2)CC1 ZINC000022498408 352177941 /nfs/dbraw/zinc/17/79/41/352177941.db2.gz MPVBCXKDWHNKLE-UHFFFAOYSA-N 0 3 319.361 1.717 20 5 DDBDHN CN1CCC[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000052502283 352613287 /nfs/dbraw/zinc/61/32/87/352613287.db2.gz HOTCTJGMJXNREZ-LBPRGKRZSA-N 0 3 321.381 1.400 20 5 DDBDHN CN(C)[C@@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000173046010 198180416 /nfs/dbraw/zinc/18/04/16/198180416.db2.gz PCOLUSNFMZKKCB-GFCCVEGCSA-N 0 3 306.366 1.194 20 5 DDBDHN CN(CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000058858850 352855167 /nfs/dbraw/zinc/85/51/67/352855167.db2.gz XVLHTLVXVZNNQQ-XVNBXDOJSA-N 0 3 307.325 1.958 20 5 DDBDHN CCS(=O)(=O)NCCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173366157 198207813 /nfs/dbraw/zinc/20/78/13/198207813.db2.gz OIHMBNRYOLKMBC-LLVKDONJSA-N 0 3 315.395 1.575 20 5 DDBDHN CCN1CCC[C@H]1CNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000064904662 352945709 /nfs/dbraw/zinc/94/57/09/352945709.db2.gz CIIUEEGVYWLMNF-LBPRGKRZSA-N 0 3 306.366 1.851 20 5 DDBDHN COCCCN(C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000174473533 198338194 /nfs/dbraw/zinc/33/81/94/198338194.db2.gz NLJIGWMMUFJNPY-UHFFFAOYSA-N 0 3 324.381 1.993 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCN(c3ccncc3)CC2)c1 ZINC000151346895 354182692 /nfs/dbraw/zinc/18/26/92/354182692.db2.gz PWBRDJYSTCHSNV-UHFFFAOYSA-N 0 3 302.338 1.009 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN3C[C@H](O)C[C@H]3C2)c2ncccc12 ZINC000405237176 354678040 /nfs/dbraw/zinc/67/80/40/354678040.db2.gz UDFMHBYJNXBSHI-NWDGAFQWSA-N 0 3 314.345 1.398 20 5 DDBDHN CCOc1cccc(N2CCN3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000405639076 354679509 /nfs/dbraw/zinc/67/95/09/354679509.db2.gz CDKWEEBJXMSMRV-NWDGAFQWSA-N 0 3 307.350 1.249 20 5 DDBDHN Cc1ccc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864062 354944578 /nfs/dbraw/zinc/94/45/78/354944578.db2.gz ZWTFBWLLUHNZFK-KBPBESRZSA-N 0 3 319.361 1.184 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000590442878 355096463 /nfs/dbraw/zinc/09/64/63/355096463.db2.gz HRYNJIYFQBPIJK-GXSJLCMTSA-N 0 3 307.354 1.047 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000590442878 355096465 /nfs/dbraw/zinc/09/64/65/355096465.db2.gz HRYNJIYFQBPIJK-GXSJLCMTSA-N 0 3 307.354 1.047 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CCC[C@H]1CO)OCCO2 ZINC000590662563 355139640 /nfs/dbraw/zinc/13/96/40/355139640.db2.gz JVZOUFMFNIQTRK-JQWIXIFHSA-N 0 3 308.334 1.617 20 5 DDBDHN COc1ccc(NC(=O)[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000591686574 355362543 /nfs/dbraw/zinc/36/25/43/355362543.db2.gz ZUTGRJXDMFYQQB-SECBINFHSA-N 0 3 315.276 1.787 20 5 DDBDHN CC1(C)CN[C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000592144794 355511085 /nfs/dbraw/zinc/51/10/85/355511085.db2.gz IXTKPTLXCYDJJQ-GWCFXTLKSA-N 0 3 319.365 1.001 20 5 DDBDHN O=[N+]([O-])c1ccccc1OCCN1CCNC[C@@H]1C(F)F ZINC000592488449 355597547 /nfs/dbraw/zinc/59/75/47/355597547.db2.gz NTWIYZILXYLNSO-LLVKDONJSA-N 0 3 301.293 1.513 20 5 DDBDHN COc1ccc(CNCC(C)(C)[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000592374773 355569442 /nfs/dbraw/zinc/56/94/42/355569442.db2.gz IPPUBAUNJSAOPF-INIZCTEOSA-N 0 3 324.377 1.871 20 5 DDBDHN Cn1c(C(=O)N2CCc3ccccc3[C@H]2CN)ccc1[N+](=O)[O-] ZINC000592566944 355631237 /nfs/dbraw/zinc/63/12/37/355631237.db2.gz FHTFARRMGOGJOJ-CQSZACIVSA-N 0 3 314.345 1.632 20 5 DDBDHN CCCc1n[nH]c(C(=O)N(C)CCN2CCCCC2)c1[N+](=O)[O-] ZINC000593884102 356041074 /nfs/dbraw/zinc/04/10/74/356041074.db2.gz QWVRRUINUNQXOK-UHFFFAOYSA-N 0 3 323.397 1.828 20 5 DDBDHN CCCc1[nH]nc(C(=O)N(C)CCN2CCCCC2)c1[N+](=O)[O-] ZINC000593884102 356041079 /nfs/dbraw/zinc/04/10/79/356041079.db2.gz QWVRRUINUNQXOK-UHFFFAOYSA-N 0 3 323.397 1.828 20 5 DDBDHN COc1c(C)cccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000594576845 356254230 /nfs/dbraw/zinc/25/42/30/356254230.db2.gz BJEFOXIOABCHOY-AWEZNQCLSA-N 0 3 320.349 1.259 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCn1ccnn1 ZINC000595034345 356375192 /nfs/dbraw/zinc/37/51/92/356375192.db2.gz VQJGAIDVEHZDIQ-NSHDSACASA-N 0 3 305.338 1.936 20 5 DDBDHN NC1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC2(CCC2)C1 ZINC000595252408 356418592 /nfs/dbraw/zinc/41/85/92/356418592.db2.gz HHBZVRXMRFBGOS-UHFFFAOYSA-N 0 3 319.361 1.751 20 5 DDBDHN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H](CN2CCOCC2)C1 ZINC000595328537 356450802 /nfs/dbraw/zinc/45/08/02/356450802.db2.gz WMNDGZHOEHCGJF-ZDUSSCGKSA-N 0 3 323.368 1.888 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595470278 356506102 /nfs/dbraw/zinc/50/61/02/356506102.db2.gz SWJNAMGGXBDCDT-CQSZACIVSA-N 0 3 320.393 1.921 20 5 DDBDHN CN(CC1=CCCOC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595753718 356637323 /nfs/dbraw/zinc/63/73/23/356637323.db2.gz SSAOVNHCALRLBL-OAHLLOKOSA-N 0 3 322.361 1.613 20 5 DDBDHN COCCN1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596117156 356779422 /nfs/dbraw/zinc/77/94/22/356779422.db2.gz XDESJUKSJYHIHW-LBPRGKRZSA-N 0 3 322.365 1.216 20 5 DDBDHN C[C@@H]1CCCCN1CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596076200 356763494 /nfs/dbraw/zinc/76/34/94/356763494.db2.gz MVNMVAAVWOYGEN-LLVKDONJSA-N 0 3 306.366 1.980 20 5 DDBDHN O=c1[n-]ccc(N2CCC([N@@H+]3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000596268966 356838646 /nfs/dbraw/zinc/83/86/46/356838646.db2.gz OQCJTGVYSBKKKL-UHFFFAOYSA-N 0 3 322.365 1.387 20 5 DDBDHN O=c1[n-]ccc(N2CCC([N@H+]3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000596268966 356838650 /nfs/dbraw/zinc/83/86/50/356838650.db2.gz OQCJTGVYSBKKKL-UHFFFAOYSA-N 0 3 322.365 1.387 20 5 DDBDHN CC(C)(C)N1CC[C@@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000596309344 356853339 /nfs/dbraw/zinc/85/33/39/356853339.db2.gz ZEVKPZNTHLNVTE-LLVKDONJSA-N 0 3 306.366 1.978 20 5 DDBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000597924424 357384031 /nfs/dbraw/zinc/38/40/31/357384031.db2.gz REYRUZZVKXTJLI-SNVBAGLBSA-N 0 3 306.366 1.780 20 5 DDBDHN CCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@H]1CCN(CC)C1 ZINC000598041822 357439803 /nfs/dbraw/zinc/43/98/03/357439803.db2.gz NKCTVYMJVXRVRV-NSHDSACASA-N 0 3 309.370 1.193 20 5 DDBDHN COC(=O)c1ccnc(N2CC[C@@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000598627426 357660777 /nfs/dbraw/zinc/66/07/77/357660777.db2.gz PYRKGRUNHCLYLY-OAHLLOKOSA-N 0 3 320.349 1.308 20 5 DDBDHN COc1cc(C(=O)N2CCN[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000598577021 357638881 /nfs/dbraw/zinc/63/88/81/357638881.db2.gz ZVMJBXAMVXXLRF-LBPRGKRZSA-N 0 3 307.350 1.673 20 5 DDBDHN O=[N+]([O-])c1ccc2nccc(NCCN3CCCOCC3)c2c1 ZINC000601151176 358423387 /nfs/dbraw/zinc/42/33/87/358423387.db2.gz QSYMSBGJYKQUCB-UHFFFAOYSA-N 0 3 316.361 1.699 20 5 DDBDHN O=C1[C@H](NCCc2ccc([N+](=O)[O-])cc2)CCN1C1CCC1 ZINC000601930069 358743024 /nfs/dbraw/zinc/74/30/24/358743024.db2.gz DZNHCIOXURBUGI-OAHLLOKOSA-N 0 3 303.362 1.880 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCO)Cc1ccc(C)cc1 ZINC000602807999 359205551 /nfs/dbraw/zinc/20/55/51/359205551.db2.gz XTKYPGAHAJOZIT-UHFFFAOYSA-N 0 3 318.377 1.903 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H]1Cc2cccc(O)c2C1 ZINC000602824231 359218749 /nfs/dbraw/zinc/21/87/49/359218749.db2.gz YLEVJCLOUFIMTH-LBPRGKRZSA-N 0 3 302.334 1.562 20 5 DDBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602937109 359306477 /nfs/dbraw/zinc/30/64/77/359306477.db2.gz QIGDTKNJHJIJRX-CIISACIHSA-N 0 3 317.345 1.640 20 5 DDBDHN CCO[C@H]1C[C@@](N)(C(=O)NCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000186716102 199996196 /nfs/dbraw/zinc/99/61/96/199996196.db2.gz DZXUCNXCRYHZGE-XJKSGUPXSA-N 0 3 321.377 1.744 20 5 DDBDHN CN1CCC[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000609257575 360276899 /nfs/dbraw/zinc/27/68/99/360276899.db2.gz BRNUSBPNJJNBCF-AWEZNQCLSA-N 0 3 320.393 1.997 20 5 DDBDHN CN(C)CCOC1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000609564942 360325710 /nfs/dbraw/zinc/32/57/10/360325710.db2.gz RZDXQVAJEBMZCD-UHFFFAOYSA-N 0 3 324.381 1.116 20 5 DDBDHN CN1CC=C(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611443365 360721530 /nfs/dbraw/zinc/72/15/30/360721530.db2.gz HIRNBBMHCYGGIH-UHFFFAOYSA-N 0 3 319.361 1.718 20 5 DDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1=CCN(C)CC1 ZINC000271922730 209326111 /nfs/dbraw/zinc/32/61/11/209326111.db2.gz KOAPBCHOSPQAFV-UHFFFAOYSA-N 0 3 318.377 1.653 20 5 DDBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@]1(CO)CCOC1 ZINC000613130199 361282574 /nfs/dbraw/zinc/28/25/74/361282574.db2.gz ABAPDAZDUQURPR-HNNXBMFYSA-N 0 3 310.350 1.447 20 5 DDBDHN CNC(=O)c1ccc(NCC2=CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000271823367 209246323 /nfs/dbraw/zinc/24/63/23/209246323.db2.gz NQUCBOBMUHDPIB-UHFFFAOYSA-N 0 3 304.350 1.628 20 5 DDBDHN CO[C@@H]1CCCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000275247717 212223001 /nfs/dbraw/zinc/22/30/01/212223001.db2.gz POHPZIQMRCCLIF-GXTWGEPZSA-N 0 3 307.350 1.741 20 5 DDBDHN CN(C)C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000288187998 220006211 /nfs/dbraw/zinc/00/62/11/220006211.db2.gz NIDYBWUPSAVZGM-NSHDSACASA-N 0 3 321.312 1.490 20 5 DDBDHN CN(C)C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000288187998 220006212 /nfs/dbraw/zinc/00/62/12/220006212.db2.gz NIDYBWUPSAVZGM-NSHDSACASA-N 0 3 321.312 1.490 20 5 DDBDHN CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CN2CCC1CC2 ZINC000359295909 299401375 /nfs/dbraw/zinc/40/13/75/299401375.db2.gz IDGCSBVEECPMHD-OAHLLOKOSA-N 0 3 303.362 1.690 20 5 DDBDHN CN(CCCC(=O)OC(C)(C)C)CCn1cc([N+](=O)[O-])cn1 ZINC000350057802 284140080 /nfs/dbraw/zinc/14/00/80/284140080.db2.gz BETFKLVXGIMLHR-UHFFFAOYSA-N 0 3 312.370 1.845 20 5 DDBDHN CC[C@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CCN1C[C@@H](C)O ZINC000266392087 205313993 /nfs/dbraw/zinc/31/39/93/205313993.db2.gz OEAXAAZFFRTDEK-OLZOCXBDSA-N 0 3 323.393 1.885 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2C[C@H](OC)CN2C)c1 ZINC000284465712 218038862 /nfs/dbraw/zinc/03/88/62/218038862.db2.gz FIXVWZPIMXMRRV-AAEUAGOBSA-N 0 3 309.366 1.759 20 5 DDBDHN CC[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CCN1C[C@@H](C)O ZINC000105827361 194138546 /nfs/dbraw/zinc/13/85/46/194138546.db2.gz XGBSDKIGFSONRA-DGCLKSJQSA-N 0 3 313.423 1.933 20 5 DDBDHN CCN1CCCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000110991880 194378890 /nfs/dbraw/zinc/37/88/90/194378890.db2.gz MFJGGWJKWKODBV-LBPRGKRZSA-N 0 3 309.370 1.090 20 5 DDBDHN CN(C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000340459734 251068970 /nfs/dbraw/zinc/06/89/70/251068970.db2.gz WCUTZGGFHIZPBO-UHFFFAOYSA-N 0 3 302.334 1.915 20 5 DDBDHN COc1cc(C(=O)NC2CCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000061031422 184160297 /nfs/dbraw/zinc/16/02/97/184160297.db2.gz SPNVCCRGJVJNJO-UHFFFAOYSA-N 0 3 323.349 1.436 20 5 DDBDHN CN(C)[C@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000067044587 184446850 /nfs/dbraw/zinc/44/68/50/184446850.db2.gz HUFPOGDJLPGIMA-ZDUSSCGKSA-N 0 3 321.377 1.916 20 5 DDBDHN C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272951041 210338255 /nfs/dbraw/zinc/33/82/55/210338255.db2.gz MRXDCBVLZAMSQC-JTQLQIEISA-N 0 3 304.350 1.557 20 5 DDBDHN Cc1c([C@H](C)NC[C@H](O)Cn2ccnn2)cccc1[N+](=O)[O-] ZINC000414203626 224311366 /nfs/dbraw/zinc/31/13/66/224311366.db2.gz ZPTFYAYXZHGWKA-RYUDHWBXSA-N 0 3 305.338 1.206 20 5 DDBDHN CC(C)[C@](C)(CO)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000352891306 285366130 /nfs/dbraw/zinc/36/61/30/285366130.db2.gz GPUDNHPTARDOOL-HNNXBMFYSA-N 0 3 309.366 1.554 20 5 DDBDHN CS(=O)(=O)CC1(CNCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000414554464 533330224 /nfs/dbraw/zinc/33/02/24/533330224.db2.gz HDZDHCSAJBIQDF-UHFFFAOYSA-N 0 3 312.391 1.899 20 5 DDBDHN Cc1nn(C)c(C(=O)NC[C@H](CC(C)C)N(C)C)c1[N+](=O)[O-] ZINC000114376823 407567577 /nfs/dbraw/zinc/56/75/77/407567577.db2.gz YUGJXMBYWSYCDC-NSHDSACASA-N 0 3 311.386 1.343 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000361064036 299797535 /nfs/dbraw/zinc/79/75/35/299797535.db2.gz YSMGWPJZMYDNST-GHMZBOCLSA-N 0 3 313.427 1.601 20 5 DDBDHN CN(C)c1cccc(CN(C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000089922865 407159027 /nfs/dbraw/zinc/15/90/27/407159027.db2.gz ZEOSJVIHJYDDMJ-UHFFFAOYSA-N 0 3 303.366 1.989 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC1CCN(C)CC1 ZINC000103450186 407340074 /nfs/dbraw/zinc/34/00/74/407340074.db2.gz UPZLYVFYMOAXOX-UHFFFAOYSA-N 0 3 323.397 1.290 20 5 DDBDHN O=[N+]([O-])c1cccc(CN2CCN(C3CCOCC3)CC2)c1 ZINC000267057853 407732901 /nfs/dbraw/zinc/73/29/01/407732901.db2.gz SDWYMFFFHSXYKJ-UHFFFAOYSA-N 0 3 305.378 1.891 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000171730929 407750437 /nfs/dbraw/zinc/75/04/37/407750437.db2.gz WAWRXJKWWOFGMD-QWRGUYRKSA-N 0 3 323.397 1.731 20 5 DDBDHN COC(=O)c1cc(NC(=O)[C@H]2CCCCN2)cc([N+](=O)[O-])c1 ZINC000153824197 407911407 /nfs/dbraw/zinc/91/14/07/407911407.db2.gz FUAGCKHXTIUKHP-GFCCVEGCSA-N 0 3 307.306 1.462 20 5 DDBDHN Cc1nn(CCC(=O)N2CCN[C@@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000262783587 407928406 /nfs/dbraw/zinc/92/84/06/407928406.db2.gz LWOBADIZPQBIAJ-ONGXEEELSA-N 0 3 309.370 1.007 20 5 DDBDHN CC1CCN(CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000154197977 407992865 /nfs/dbraw/zinc/99/28/65/407992865.db2.gz LBKJBSSSNUTVMX-UHFFFAOYSA-N 0 3 317.345 1.923 20 5 DDBDHN CC(C)(C)[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1O ZINC000273244424 408123658 /nfs/dbraw/zinc/12/36/58/408123658.db2.gz GERNIQHYFXWIGT-KBPBESRZSA-N 0 3 323.393 1.485 20 5 DDBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000137398937 408152117 /nfs/dbraw/zinc/15/21/17/408152117.db2.gz HSXOLVZQDWWPKX-GFCCVEGCSA-N 0 3 317.349 1.221 20 5 DDBDHN CN(C)CCOc1cc(CNc2ncc([N+](=O)[O-])cn2)ccn1 ZINC000273710352 408294976 /nfs/dbraw/zinc/29/49/76/408294976.db2.gz FBZJCRHJWBJCKR-UHFFFAOYSA-N 0 3 318.337 1.332 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000148555091 162134204 /nfs/dbraw/zinc/13/42/04/162134204.db2.gz WIODLFDGQKXGAM-MNOVXSKESA-N 0 3 312.757 1.918 20 5 DDBDHN CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CCN1C[C@H](C)O ZINC000247021290 408389872 /nfs/dbraw/zinc/38/98/72/408389872.db2.gz CQQJVZJJQAKOOM-DZGCQCFKSA-N 0 3 307.394 1.872 20 5 DDBDHN O=C(NCC1(N2CCCC2)CCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000264192156 408397050 /nfs/dbraw/zinc/39/70/50/408397050.db2.gz OXFLPKJYWMXVID-UHFFFAOYSA-N 0 3 323.349 1.563 20 5 DDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCCN1C1CCCC1 ZINC000269743850 408413096 /nfs/dbraw/zinc/41/30/96/408413096.db2.gz XXPVOWQDCPYLDH-CQSZACIVSA-N 0 3 321.381 1.315 20 5 DDBDHN CN(C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000160558875 408498191 /nfs/dbraw/zinc/49/81/91/408498191.db2.gz YTYAUSVFVGHVDL-UHFFFAOYSA-N 0 3 316.155 1.649 20 5 DDBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000248620978 408601474 /nfs/dbraw/zinc/60/14/74/408601474.db2.gz MXOZXUWPJWJYAP-JOYOIKCWSA-N 0 3 307.354 1.031 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000270533931 408567220 /nfs/dbraw/zinc/56/72/20/408567220.db2.gz VXJKFLUFXKVOHZ-QWHCGFSZSA-N 0 3 309.391 1.712 20 5 DDBDHN C[C@H](c1ccccn1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270680759 408634752 /nfs/dbraw/zinc/63/47/52/408634752.db2.gz URCSPOHINMCOLU-DGCLKSJQSA-N 0 3 305.338 1.240 20 5 DDBDHN CN(C)Cc1ccccc1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270748435 408661825 /nfs/dbraw/zinc/66/18/25/408661825.db2.gz BQGLQRMAXVUDSA-UHFFFAOYSA-N 0 3 317.349 1.320 20 5 DDBDHN CN(C)C[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000178192134 408786282 /nfs/dbraw/zinc/78/62/82/408786282.db2.gz BNTVLGJXGXXHDN-LLVKDONJSA-N 0 3 306.366 1.733 20 5 DDBDHN COC(=O)c1cnc(NC[C@@H](C)N(C)C2CC2)c([N+](=O)[O-])c1 ZINC000190172037 163130999 /nfs/dbraw/zinc/13/09/99/163130999.db2.gz AGKQVQFLMLHTRH-SECBINFHSA-N 0 3 308.338 1.671 20 5 DDBDHN Cc1cccc2c1CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000277371229 408928966 /nfs/dbraw/zinc/92/89/66/408928966.db2.gz XQOXCLZKSKOMCX-HNNXBMFYSA-N 0 3 316.361 1.519 20 5 DDBDHN CC(C)(C[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1)C(N)=O ZINC000295078584 409314549 /nfs/dbraw/zinc/31/45/49/409314549.db2.gz AXUBFDFPBBYUQA-GFCCVEGCSA-N 0 3 323.397 1.405 20 5 DDBDHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295281883 409412553 /nfs/dbraw/zinc/41/25/53/409412553.db2.gz DBVALEKCJDGWDI-CVEARBPZSA-N 0 3 321.377 1.379 20 5 DDBDHN CC[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])N1CCCC1 ZINC000290593415 409455934 /nfs/dbraw/zinc/45/59/34/409455934.db2.gz XVCHCLVGBWBFHB-SNVBAGLBSA-N 0 3 307.354 1.375 20 5 DDBDHN Cc1nn(C)c(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408128959 164236387 /nfs/dbraw/zinc/23/63/87/164236387.db2.gz MLEWTVLSYRLYIP-MWLCHTKSSA-N 0 3 309.370 1.049 20 5 DDBDHN Cc1nn(C)c(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000408130126 164237401 /nfs/dbraw/zinc/23/74/01/164237401.db2.gz SVISMLNEOMLWSX-ONGXEEELSA-N 0 3 309.370 1.191 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CCN1C ZINC000357392603 410010354 /nfs/dbraw/zinc/01/03/54/410010354.db2.gz OAOIUFQQRAXKPC-OLZOCXBDSA-N 0 3 320.393 1.996 20 5 DDBDHN CN(C)CCOCCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000355313549 410434526 /nfs/dbraw/zinc/43/45/26/410434526.db2.gz IYAVTQKFECEEIW-UHFFFAOYSA-N 0 3 320.349 1.384 20 5 DDBDHN C[C@@H](CN(C)C)Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000343812744 410717356 /nfs/dbraw/zinc/71/73/56/410717356.db2.gz VXTHOYFGDARQFR-ZDUSSCGKSA-N 0 3 322.409 1.789 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](N2CC=CC2)C1 ZINC000301449455 410722483 /nfs/dbraw/zinc/72/24/83/410722483.db2.gz LALNLNBCNSGZNK-ZDUSSCGKSA-N 0 3 316.361 1.405 20 5 DDBDHN Cc1c(CNC(=O)N2CCCN(C)CC2)cccc1[N+](=O)[O-] ZINC000359552646 410727616 /nfs/dbraw/zinc/72/76/16/410727616.db2.gz OAWYOMSVXHXCKW-UHFFFAOYSA-N 0 3 306.366 1.750 20 5 DDBDHN COc1cc(CNCCc2cc(C)no2)c([N+](=O)[O-])cc1O ZINC000353093686 410779761 /nfs/dbraw/zinc/77/97/61/410779761.db2.gz IESCTIHWSZSCQI-UHFFFAOYSA-N 0 3 307.306 1.938 20 5 DDBDHN CCc1ccc([C@@H](CO)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000359625598 410781929 /nfs/dbraw/zinc/78/19/29/410781929.db2.gz NMXUKDSKLZGETN-OAHLLOKOSA-N 0 3 304.350 1.677 20 5 DDBDHN Cc1c([C@@H](C)NC[C@@H]2CN(C)CCN2C)cccc1[N+](=O)[O-] ZINC000330673534 410866032 /nfs/dbraw/zinc/86/60/32/410866032.db2.gz HKGPOMFCILMVPH-ZIAGYGMSSA-N 0 3 306.410 1.800 20 5 DDBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCN2CCC1CC2 ZINC000341201126 410932733 /nfs/dbraw/zinc/93/27/33/410932733.db2.gz BARSTUITKPFIKO-UHFFFAOYSA-N 0 3 304.350 1.584 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344068257 410934316 /nfs/dbraw/zinc/93/43/16/410934316.db2.gz QIRRRIFZUGCELZ-XFMPKHEZSA-N 0 3 322.361 1.037 20 5 DDBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356451576 411039301 /nfs/dbraw/zinc/03/93/01/411039301.db2.gz WTHBDLYEHCOUTL-GRYCIOLGSA-N 0 3 323.397 1.425 20 5 DDBDHN O=C(CCN1C[C@H]2[C@H](CO)[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000366452413 418475161 /nfs/dbraw/zinc/47/51/61/418475161.db2.gz ZKIVIWXHLKODIL-GDNZZTSVSA-N 0 3 323.324 1.233 20 5 DDBDHN Cc1c(CN2CCCN([C@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000375487318 418647578 /nfs/dbraw/zinc/64/75/78/418647578.db2.gz VSKKFGUQCOZBAB-CYBMUJFWSA-N 0 3 307.394 1.792 20 5 DDBDHN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1[C@H]1CCCO1 ZINC000367724748 418626980 /nfs/dbraw/zinc/62/69/80/418626980.db2.gz HFQBKASWMWDLAD-MJBXVCDLSA-N 0 3 324.381 1.042 20 5 DDBDHN CN(C)C/C=C/C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375389950 418633629 /nfs/dbraw/zinc/63/36/29/418633629.db2.gz GLRLMCOGRUDGOD-FUEXJSSKSA-N 0 3 307.354 1.073 20 5 DDBDHN CO[C@@H]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000361361897 418635602 /nfs/dbraw/zinc/63/56/02/418635602.db2.gz MRRZCRWZOJDWOA-GFCCVEGCSA-N 0 3 307.350 1.953 20 5 DDBDHN C[C@@H]1CCN(C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000361788237 418711142 /nfs/dbraw/zinc/71/11/42/418711142.db2.gz QWCLMXTVVGCOAI-CYBMUJFWSA-N 0 3 320.393 1.584 20 5 DDBDHN O=C1NC[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]12 ZINC000368064692 418683277 /nfs/dbraw/zinc/68/32/77/418683277.db2.gz QNHFRCFPTHJPCW-BXUZGUMPSA-N 0 3 305.334 1.042 20 5 DDBDHN C[C@@H](CO)N1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000364611075 418793287 /nfs/dbraw/zinc/79/32/87/418793287.db2.gz YLFFKLLLIHLWRY-LBPRGKRZSA-N 0 3 320.393 1.456 20 5 DDBDHN Cc1c(CN[C@H](C2CC2)[C@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000423071727 227336157 /nfs/dbraw/zinc/33/61/57/227336157.db2.gz ICDMGJUOXPJSFQ-HZPDHXFCSA-N 0 3 305.378 1.760 20 5 DDBDHN CN(C)[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])c1)c1ccccc1 ZINC000298286911 228464634 /nfs/dbraw/zinc/46/46/34/228464634.db2.gz AQIHJTOLNAFXOQ-CYBMUJFWSA-N 0 3 317.349 1.210 20 5 DDBDHN COc1ccc(OCCN2C[C@@H](O)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000421026674 419457860 /nfs/dbraw/zinc/45/78/60/419457860.db2.gz UODNIWIVZRKGLJ-RYUDHWBXSA-N 0 3 310.350 1.827 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C[C@H]1CCCN1C ZINC000421704624 419687008 /nfs/dbraw/zinc/68/70/08/419687008.db2.gz PHLOZSZMLBFASN-GFCCVEGCSA-N 0 3 309.370 1.042 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000421857720 419751615 /nfs/dbraw/zinc/75/16/15/419751615.db2.gz CBWVXOGFQMIDPH-OAHLLOKOSA-N 0 3 307.350 1.008 20 5 DDBDHN COCCNCCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418512708 419847928 /nfs/dbraw/zinc/84/79/28/419847928.db2.gz UJSPIAMTXIWKRZ-UHFFFAOYSA-N 0 3 324.381 1.015 20 5 DDBDHN CCCC[C@H](CN)NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000415491900 420088952 /nfs/dbraw/zinc/08/89/52/420088952.db2.gz DVORXZLZTHEVLW-GFCCVEGCSA-N 0 3 322.365 1.475 20 5 DDBDHN C[C@@H]1CCN[C@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000423823646 420209120 /nfs/dbraw/zinc/20/91/20/420209120.db2.gz IMHGZNFIOKAFDE-YGRLFVJLSA-N 0 3 304.350 1.263 20 5 DDBDHN CN(C(=O)c1cc([N+](=O)[O-])nn1C)C(C)(C)CN1CCCC1 ZINC000416095052 420247420 /nfs/dbraw/zinc/24/74/20/420247420.db2.gz BPILXPLIWTWPTP-UHFFFAOYSA-N 0 3 309.370 1.275 20 5 DDBDHN Cc1sc(S(=O)(=O)NC[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000416496861 420394289 /nfs/dbraw/zinc/39/42/89/420394289.db2.gz RAAAQMPMCPUICL-SECBINFHSA-N 0 3 319.408 1.195 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCNc2ccncc2)c1 ZINC000439036919 420477175 /nfs/dbraw/zinc/47/71/75/420477175.db2.gz CPZJIJDXKNCCDC-UHFFFAOYSA-N 0 3 300.318 1.562 20 5 DDBDHN CN1CCCC(C)(C)[C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000447813631 420804059 /nfs/dbraw/zinc/80/40/59/420804059.db2.gz STZFBLNPCRTPTP-NSHDSACASA-N 0 3 318.381 2.170 20 5 DDBDHN CNc1nc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456019965 421089280 /nfs/dbraw/zinc/08/92/80/421089280.db2.gz IOKUWNFUAOTOEZ-CABZTGNLSA-N 0 3 319.365 1.244 20 5 DDBDHN CC(C)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000562401022 421361090 /nfs/dbraw/zinc/36/10/90/421361090.db2.gz PLDVONYQIYKHDE-ZDUSSCGKSA-N 0 3 323.397 1.804 20 5 DDBDHN CCc1ccc(S(=O)(=O)N[C@H]2CCCNC2)cc1[N+](=O)[O-] ZINC000563138007 421461911 /nfs/dbraw/zinc/46/19/11/421461911.db2.gz GIBWZSIUCUPUGW-NSHDSACASA-N 0 3 313.379 1.188 20 5 DDBDHN CN1CC[C@@H](Nc2ccc(N)c([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000590582373 422320448 /nfs/dbraw/zinc/32/04/48/422320448.db2.gz QUYRIZTUSIZDHK-UKRRQHHQSA-N 0 3 313.361 2.429 20 5 DDBDHN CNS(=O)(=O)CCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341573599 271125235 /nfs/dbraw/zinc/12/52/35/271125235.db2.gz MDOPHVRSXLADDS-SNVBAGLBSA-N 0 3 301.368 1.185 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@]2(CCCOC2)C1 ZINC000341577006 271125955 /nfs/dbraw/zinc/12/59/55/271125955.db2.gz MGTIZMYRDGTDPE-INIZCTEOSA-N 0 3 321.377 1.649 20 5 DDBDHN Cc1cnn(CCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000341908864 271243630 /nfs/dbraw/zinc/24/36/30/271243630.db2.gz GHHWRWOIDPRLCB-CYBMUJFWSA-N 0 3 316.365 1.681 20 5 DDBDHN COc1ccc(CNCCn2cc([N+](=O)[O-])cn2)c(C)c1OC ZINC000342181103 271331715 /nfs/dbraw/zinc/33/17/15/271331715.db2.gz GTKZWBBEXZCCJA-UHFFFAOYSA-N 0 3 320.349 1.907 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272601472 274343878 /nfs/dbraw/zinc/34/38/78/274343878.db2.gz HERRHLAHXCIDNP-BXKDBHETSA-N 0 3 304.350 1.390 20 5 DDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000286307717 278015601 /nfs/dbraw/zinc/01/56/01/278015601.db2.gz JYJKLUOAKVASTO-YPMHNXCESA-N 0 3 318.377 1.757 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC(C)(C)CN(C)C ZINC000416506076 281262022 /nfs/dbraw/zinc/26/20/22/281262022.db2.gz DUZKGNXIWYMABZ-UHFFFAOYSA-N 0 3 315.395 1.522 20 5 DDBDHN [NH3+][C@H]1CCc2nc([N-]C(=O)c3ccc([N+](=O)[O-])o3)sc2C1 ZINC000261664876 295342083 /nfs/dbraw/zinc/34/20/83/295342083.db2.gz KWYZVINAXBOKAV-LURJTMIESA-N 0 3 308.319 1.713 20 5 DDBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357918990 299019722 /nfs/dbraw/zinc/01/97/22/299019722.db2.gz ZKYZQTFJWIASOF-QWRGUYRKSA-N 0 3 309.370 1.321 20 5 DDBDHN CCCN1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000363325317 300251987 /nfs/dbraw/zinc/25/19/87/300251987.db2.gz BWWNMUOWXURHGG-UHFFFAOYSA-N 0 3 306.366 1.856 20 5 DDBDHN Cc1c(CC(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000368587740 301058746 /nfs/dbraw/zinc/05/87/46/301058746.db2.gz DRYJEIJFSCZHAM-CZUORRHYSA-N 0 3 317.389 1.998 20 5 DDBDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000376928226 302122249 /nfs/dbraw/zinc/12/22/49/302122249.db2.gz YXJKCTPKUCRFLJ-MRVWCRGKSA-N 0 3 321.381 1.686 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2c2ccccn2)c1 ZINC000530963066 303222641 /nfs/dbraw/zinc/22/26/41/303222641.db2.gz BJBIZILWCHPDFY-HIFRSBDPSA-N 0 3 317.349 1.384 20 5 DDBDHN CN(C)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000532146092 303277533 /nfs/dbraw/zinc/27/75/33/303277533.db2.gz COXNKNOKAPGDLF-UHFFFAOYSA-N 0 3 314.345 1.981 20 5 DDBDHN O=C(CCN1C[C@H](O)C2(CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372903863 307175961 /nfs/dbraw/zinc/17/59/61/307175961.db2.gz QGJHMGXZVAAMKW-ZDUSSCGKSA-N 0 3 323.324 1.519 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000376643027 307251213 /nfs/dbraw/zinc/25/12/13/307251213.db2.gz MSTRXQXZQSUFFX-BXUZGUMPSA-N 0 3 304.350 1.464 20 5 DDBDHN CN1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000530592390 307601894 /nfs/dbraw/zinc/60/18/94/307601894.db2.gz OAWFHUNYMXZRRI-UHFFFAOYSA-N 0 3 307.306 1.148 20 5 DDBDHN CN(C[C@@H](O)CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000566123492 308044653 /nfs/dbraw/zinc/04/46/53/308044653.db2.gz AOVVYQFFGCWJEE-LBPRGKRZSA-N 0 3 319.365 1.016 20 5 DDBDHN CCCc1n[nH]c(C(=O)NC[C@@H](C)N2CCCC2)c1[N+](=O)[O-] ZINC000518328501 325790372 /nfs/dbraw/zinc/79/03/72/325790372.db2.gz DWBQHLLPBHSPMP-SNVBAGLBSA-N 0 3 309.370 1.485 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595875164 490372061 /nfs/dbraw/zinc/37/20/61/490372061.db2.gz PWFBSUPWRHBQGQ-XJKCOSOUSA-N 0 3 324.377 1.285 20 5 DDBDHN COc1ccc(CNCCN2CCSCC2)cc1[N+](=O)[O-] ZINC000226247551 490701667 /nfs/dbraw/zinc/70/16/67/490701667.db2.gz HBONAOOSTKACEI-UHFFFAOYSA-N 0 3 311.407 1.742 20 5 DDBDHN CC(C)(C)NC(=O)CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331017168 526313572 /nfs/dbraw/zinc/31/35/72/526313572.db2.gz PUHVYBUSKTZPPN-RYUDHWBXSA-N 0 3 323.397 1.779 20 5 DDBDHN CCOCC[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000444657231 528862671 /nfs/dbraw/zinc/86/26/71/528862671.db2.gz KBVXXSFWOBKWDQ-GXTWGEPZSA-N 0 3 324.381 1.264 20 5 DDBDHN CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000413556152 529098259 /nfs/dbraw/zinc/09/82/59/529098259.db2.gz SJTSBIJJEISIGS-UONOGXRCSA-N 0 3 303.362 1.909 20 5 DDBDHN CC[C@](C)(CC(=O)OC)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000134077881 696833432 /nfs/dbraw/zinc/83/34/32/696833432.db2.gz IYRFHGPUKOOYHH-OAHLLOKOSA-N 0 3 323.349 1.515 20 5 DDBDHN CNC(=O)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776575980 698119511 /nfs/dbraw/zinc/11/95/11/698119511.db2.gz YDKLYKKKVPJRDO-AWEZNQCLSA-N 0 3 307.350 1.086 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(OCCCO)CC2)cc1 ZINC000776587934 698122547 /nfs/dbraw/zinc/12/25/47/698122547.db2.gz ZZIAQCKLNNPHQK-INIZCTEOSA-N 0 3 324.377 1.492 20 5 DDBDHN COC(=O)C[C@@H]1CCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590907 698123510 /nfs/dbraw/zinc/12/35/10/698123510.db2.gz MFRSJDQBNAWYMN-KBPBESRZSA-N 0 3 308.334 1.656 20 5 DDBDHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000810091407 701727689 /nfs/dbraw/zinc/72/76/89/701727689.db2.gz SUUDTWUZZNRPJA-SECBINFHSA-N 0 3 321.424 1.663 20 5 DDBDHN CO[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@](C)(CO)C1 ZINC000879262749 706633433 /nfs/dbraw/zinc/63/34/33/706633433.db2.gz ZIIGSPRBXDKZJZ-KKUMJFAQSA-N 0 3 310.350 1.100 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000868519330 702173964 /nfs/dbraw/zinc/17/39/64/702173964.db2.gz AOSYIMLSSGVSQW-AAEUAGOBSA-N 0 3 307.325 1.439 20 5 DDBDHN CC(COC(=O)c1ncccc1OCC(F)(F)F)[N+](=O)[O-] ZINC000813108661 702295132 /nfs/dbraw/zinc/29/51/32/702295132.db2.gz JJUWKRMAMVOVJB-ZETCQYMHSA-N 0 3 308.212 1.845 20 5 DDBDHN CC(COC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)[N+](=O)[O-] ZINC000813109827 702296388 /nfs/dbraw/zinc/29/63/88/702296388.db2.gz PMKCFVKQUSTRRO-IJLUTSLNSA-N 0 3 323.349 1.517 20 5 DDBDHN CC(COC(=O)CSc1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813113974 702299236 /nfs/dbraw/zinc/29/92/36/702299236.db2.gz XHPPHMMRBZAPOY-MRVPVSSYSA-N 0 3 300.292 1.895 20 5 DDBDHN CC[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000843090484 702816943 /nfs/dbraw/zinc/81/69/43/702816943.db2.gz XFFRKSHDBIBMQS-SRVKXCTJSA-N 0 3 322.283 1.920 20 5 DDBDHN C[C@H](CO)C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000844417150 703028715 /nfs/dbraw/zinc/02/87/15/703028715.db2.gz SGDAPMVSDOECJN-MLGOLLRUSA-N 0 3 308.378 1.969 20 5 DDBDHN COc1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000818943936 704031598 /nfs/dbraw/zinc/03/15/98/704031598.db2.gz CEISERXUTDTOKJ-CQSZACIVSA-N 0 3 303.318 1.822 20 5 DDBDHN CO[C@@]1(CO)CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852410508 704036506 /nfs/dbraw/zinc/03/65/06/704036506.db2.gz CDPYSWPJECBZCH-GJZGRUSLSA-N 0 3 310.350 1.102 20 5 DDBDHN CCc1cc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000819052759 704059723 /nfs/dbraw/zinc/05/97/23/704059723.db2.gz DNTAQEDPNUUJAV-ZDUSSCGKSA-N 0 3 320.349 1.410 20 5 DDBDHN CCc1cc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000819052759 704059726 /nfs/dbraw/zinc/05/97/26/704059726.db2.gz DNTAQEDPNUUJAV-ZDUSSCGKSA-N 0 3 320.349 1.410 20 5 DDBDHN O=C1CC[C@@H]2CN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000852495719 704062242 /nfs/dbraw/zinc/06/22/42/704062242.db2.gz MTMYJOHZMGXXQE-BPLDGKMQSA-N 0 3 319.361 1.229 20 5 DDBDHN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCOC2(CNC2)C1 ZINC000853246029 704224027 /nfs/dbraw/zinc/22/40/27/704224027.db2.gz QPBFTDRNFLQQOY-UHFFFAOYSA-N 0 3 311.725 1.063 20 5 DDBDHN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H](C)N1 ZINC000856408598 704527305 /nfs/dbraw/zinc/52/73/05/704527305.db2.gz OLSKXCKTUAYAQQ-DTWKUNHWSA-N 0 3 310.329 1.529 20 5 DDBDHN O=C(CCN1CC=C[C@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000880488786 706992472 /nfs/dbraw/zinc/99/24/72/706992472.db2.gz MAXCSNSEVZQFHI-NSHDSACASA-N 0 3 309.297 1.295 20 5 DDBDHN CN(C)C[C@H](N)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000876568667 705762573 /nfs/dbraw/zinc/76/25/73/705762573.db2.gz OMUNMJAYNHJSFL-LBPRGKRZSA-N 0 3 314.773 1.096 20 5 DDBDHN C/C(=C/C(=O)NCCN1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000863833368 706024437 /nfs/dbraw/zinc/02/44/37/706024437.db2.gz PIANAICXVPDSEJ-WQTVUKCASA-N 0 3 319.361 1.181 20 5 DDBDHN CN1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000877935166 706244909 /nfs/dbraw/zinc/24/49/09/706244909.db2.gz KVPOFCKLXZCVLN-UHFFFAOYSA-N 0 3 317.349 1.782 20 5 DDBDHN COCCN(C)CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865502226 706448090 /nfs/dbraw/zinc/44/80/90/706448090.db2.gz IPKXBMUTIZERER-UHFFFAOYSA-N 0 3 301.318 1.216 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC3(CC2)COCCO3)c1 ZINC000880545337 707012158 /nfs/dbraw/zinc/01/21/58/707012158.db2.gz ANFGMLJGEGPJSM-OAHLLOKOSA-N 0 3 322.361 1.510 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC3(CC2)COCCO3)cc1 ZINC000880545541 707012196 /nfs/dbraw/zinc/01/21/96/707012196.db2.gz DQERERNQVCCAHK-OAHLLOKOSA-N 0 3 322.361 1.510 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2C[C@@H](O)CC3(CCOCC3)C2)cc1 ZINC000880585225 707027786 /nfs/dbraw/zinc/02/77/86/707027786.db2.gz FSFPIYXVMGDBGZ-HNNXBMFYSA-N 0 3 306.362 1.958 20 5 DDBDHN CNC(=O)c1ccc(N2CC[C@H]3[C@@H]2CCCN3C)c([N+](=O)[O-])c1 ZINC000872781607 707597801 /nfs/dbraw/zinc/59/78/01/707597801.db2.gz VZKYNHHMICEPEL-STQMWFEESA-N 0 3 318.377 1.627 20 5 DDBDHN Cc1cc(NCCN(C)CCOCCO)c(F)cc1[N+](=O)[O-] ZINC000882951183 707867448 /nfs/dbraw/zinc/86/74/48/707867448.db2.gz SGXPQTGSETWLMY-UHFFFAOYSA-N 0 3 315.345 1.395 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CN(C2CCOCC2)C1 ZINC000899911606 709234959 /nfs/dbraw/zinc/23/49/59/709234959.db2.gz RTGKAPJETJYLKA-UHFFFAOYSA-N 0 3 319.361 1.953 20 5 DDBDHN COC(=O)c1cc(C)nc(N2CC[C@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000893942027 710894820 /nfs/dbraw/zinc/89/48/20/710894820.db2.gz YQFCSHAPEIVHQU-JQWIXIFHSA-N 0 3 320.349 1.225 20 5 DDBDHN C[C@@H]1[C@@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CCN1C ZINC000895735272 711590332 /nfs/dbraw/zinc/59/03/32/711590332.db2.gz CBRDJOPBCDHFMI-RQJHMYQMSA-N 0 3 307.276 1.852 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000908350609 712749564 /nfs/dbraw/zinc/74/95/64/712749564.db2.gz ZUTSADOXPZLUGX-PRHODGIISA-N 0 3 324.768 1.607 20 5 DDBDHN COc1cccc([C@H]2[C@@H](NCC[N+](=O)[O-])CCN2C2CC2)c1 ZINC000930353777 713812179 /nfs/dbraw/zinc/81/21/79/713812179.db2.gz KGWLYTVHIBTOOE-HOTGVXAUSA-N 0 3 305.378 1.839 20 5 DDBDHN C[C@](CO)(NC[C@@H]1C[C@H]2COC[C@H]2O1)c1cccc([N+](=O)[O-])c1 ZINC000931471461 714105574 /nfs/dbraw/zinc/10/55/74/714105574.db2.gz RMQKSAPTBHZMMB-DANNLKNASA-N 0 3 322.361 1.196 20 5 DDBDHN COc1ccc(CN[C@H]2C[C@H](O)C23CCOCC3)cc1[N+](=O)[O-] ZINC000923022272 714216399 /nfs/dbraw/zinc/21/63/99/714216399.db2.gz YKWVUXIMDXIEHQ-GJZGRUSLSA-N 0 3 322.361 1.623 20 5 DDBDHN NC(=O)[C@]12CCC[C@H]1CN(Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000933754596 714664662 /nfs/dbraw/zinc/66/46/62/714664662.db2.gz HKRKDAUUICYYHV-NHYWBVRUSA-N 0 3 307.325 1.821 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccnc(F)c1 ZINC001124520821 748308487 /nfs/dbraw/zinc/30/84/87/748308487.db2.gz VHMNRJPHGDMIQY-UHFFFAOYSA-N 0 3 318.308 1.649 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)CN(C)C(C)C)n1 ZINC001100149888 775735443 /nfs/dbraw/zinc/73/54/43/775735443.db2.gz UNPXAKHNOQIOOA-UHFFFAOYSA-N 0 3 323.397 1.191 20 5 DDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(CCCO)CC1 ZINC001173221938 777054288 /nfs/dbraw/zinc/05/42/88/777054288.db2.gz NOYHUXCRNYOVNZ-AWEZNQCLSA-N 0 3 307.394 1.526 20 5 DDBDHN Cc1ccnc(NCCN(C)C(=O)CN(C)C(C)C)c1[N+](=O)[O-] ZINC001101657613 777352575 /nfs/dbraw/zinc/35/25/75/777352575.db2.gz GQXKHOYIYPKXHC-UHFFFAOYSA-N 0 3 323.397 1.509 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CC(C)(C)C ZINC001154667120 861344098 /nfs/dbraw/zinc/34/40/98/861344098.db2.gz KQZVEFGSGXMIKB-UHFFFAOYSA-N 0 3 311.386 1.360 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1cocn1 ZINC001155735370 862416736 /nfs/dbraw/zinc/41/67/36/862416736.db2.gz BABZGLYYWWFBBT-UHFFFAOYSA-N 0 3 304.306 1.493 20 5 DDBDHN Cc1cc(CN)nn1-c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001156038594 862658456 /nfs/dbraw/zinc/65/84/56/862658456.db2.gz DFABPHXPIVZBSW-UHFFFAOYSA-N 0 3 303.109 1.644 20 5 DDBDHN CC1CCN(CCNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001141645975 860902567 /nfs/dbraw/zinc/90/25/67/860902567.db2.gz ZIFXJKMJPOGFLM-UHFFFAOYSA-N 0 3 315.761 1.433 20 5 DDBDHN CCC1([N-]c2nc(SC)nc(Cl)c2[N+](=O)[O-])C[NH2+]C1 ZINC001157777175 864131523 /nfs/dbraw/zinc/13/15/23/864131523.db2.gz JBYBBMMVGHKXOV-UHFFFAOYSA-N 0 3 303.775 1.924 20 5 DDBDHN Cc1nn(C)c(-c2nc([C@H]3CN4CCC3CC4)no2)c1[N+](=O)[O-] ZINC001320206615 866561067 /nfs/dbraw/zinc/56/10/67/866561067.db2.gz CQMLCENKPXTONI-JTQLQIEISA-N 0 3 318.337 1.496 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NCc1nnn2c1CNCCC2 ZINC001162971690 867958815 /nfs/dbraw/zinc/95/88/15/867958815.db2.gz MEBXQMAYJSARKF-UHFFFAOYSA-N 0 3 302.338 1.600 20 5 DDBDHN C[C@](CO)(NC[C@H]1CCc2ncnn21)c1cccc([N+](=O)[O-])c1 ZINC001308000381 871463126 /nfs/dbraw/zinc/46/31/26/871463126.db2.gz UFLZTXFQVUARMK-UKRRQHHQSA-N 0 3 317.349 1.171 20 5 DDBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](O)CC1(CO)CCCC1 ZINC001353245059 877209467 /nfs/dbraw/zinc/20/94/67/877209467.db2.gz CCFNZZOKZMIRQJ-AWEZNQCLSA-N 0 3 308.378 1.988 20 5 DDBDHN C[C@H](CNC(=O)[C@H](N)CC(F)F)c1ccccc1[N+](=O)[O-] ZINC001358389339 880417687 /nfs/dbraw/zinc/41/76/87/880417687.db2.gz VSLFPWPKQLSJPU-PSASIEDQSA-N 0 3 301.293 1.797 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cncc(C(N)=O)c1 ZINC001254547651 896496865 /nfs/dbraw/zinc/49/68/65/896496865.db2.gz DFGNHWCZNMLXRB-LLVKDONJSA-N 0 3 314.345 1.810 20 5 DDBDHN COc1ccc(CN[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)nn1 ZINC001254576957 896510644 /nfs/dbraw/zinc/51/06/44/896510644.db2.gz BDQYLHSLBLGGAL-CYBMUJFWSA-N 0 3 300.318 1.650 20 5 DDBDHN CCC(=O)N1CCC(O)(CNCc2cccc([N+](=O)[O-])c2)CC1 ZINC001281585794 905065690 /nfs/dbraw/zinc/06/56/90/905065690.db2.gz BMDPJQACMZGGIL-UHFFFAOYSA-N 0 3 321.377 1.448 20 5 DDBDHN CN(C)CCN(C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278714669 282089923 /nfs/dbraw/zinc/08/99/23/282089923.db2.gz PABJMGYJINGHBJ-UHFFFAOYSA-N 0 3 320.353 1.174 20 5 DDBDHN C[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000248994361 282125260 /nfs/dbraw/zinc/12/52/60/282125260.db2.gz XTJXPORVIIWHPV-UXIGCNINSA-N 0 3 310.350 1.037 20 5 DDBDHN C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H](C)CO ZINC000450738282 230783801 /nfs/dbraw/zinc/78/38/01/230783801.db2.gz MKWWMXXCGDUSOO-JTNHKYCSSA-N 0 3 307.350 1.307 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H]2OCCC[C@@H]2C1 ZINC000090552771 185302724 /nfs/dbraw/zinc/30/27/24/185302724.db2.gz BWRJNKKFBHSNNV-TZMCWYRMSA-N 0 3 307.350 1.257 20 5 DDBDHN C[NH2+]C[C@@H](C)C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000193278125 290680380 /nfs/dbraw/zinc/68/03/80/290680380.db2.gz KNNOXCZINXJJLQ-SECBINFHSA-N 0 3 315.395 1.345 20 5 DDBDHN CCCN(CCN1CCCC1)C(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000286648817 219103607 /nfs/dbraw/zinc/10/36/07/219103607.db2.gz DNIUPMPBZBKPEE-UHFFFAOYSA-N 0 3 323.397 1.828 20 5 DDBDHN CCCN(CCN1CCCC1)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000286648817 219103609 /nfs/dbraw/zinc/10/36/09/219103609.db2.gz DNIUPMPBZBKPEE-UHFFFAOYSA-N 0 3 323.397 1.828 20 5 DDBDHN CC(C)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000267258390 282305616 /nfs/dbraw/zinc/30/56/16/282305616.db2.gz NHUPRCWRMZDGHF-UHFFFAOYSA-N 0 3 306.366 1.733 20 5 DDBDHN CN1CC[C@](O)(CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000358330240 299122712 /nfs/dbraw/zinc/12/27/12/299122712.db2.gz OWSNRVJOWXNIJJ-HNNXBMFYSA-N 0 3 302.334 1.622 20 5 DDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000601224891 358454504 /nfs/dbraw/zinc/45/45/04/358454504.db2.gz IWUGVIHKUPYCLX-HNNXBMFYSA-N 0 3 322.365 1.515 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000617352616 363067202 /nfs/dbraw/zinc/06/72/02/363067202.db2.gz DPBMKORTCROPSF-LLVKDONJSA-N 0 3 307.350 1.675 20 5 DDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)N(C)C ZINC000033093533 352288659 /nfs/dbraw/zinc/28/86/59/352288659.db2.gz ICCYSKAWBDYESX-GFCCVEGCSA-N 0 3 320.393 1.875 20 5 DDBDHN CN(C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000043966675 352377318 /nfs/dbraw/zinc/37/73/18/352377318.db2.gz JCMZMJNXQHGACK-UHFFFAOYSA-N 0 3 302.334 1.915 20 5 DDBDHN CCc1ccc(C(=O)NCCN(C)CCCOC)cc1[N+](=O)[O-] ZINC000174286952 198315504 /nfs/dbraw/zinc/31/55/04/198315504.db2.gz ZSNDBMWMPXMBQT-UHFFFAOYSA-N 0 3 323.393 1.855 20 5 DDBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000174632177 198362967 /nfs/dbraw/zinc/36/29/67/198362967.db2.gz OOXWIUOCAOPLPH-NWDGAFQWSA-N 0 3 304.350 1.486 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCc3sccc3C2)c1 ZINC000075718574 353378150 /nfs/dbraw/zinc/37/81/50/353378150.db2.gz ATDQLKUIRBZFFP-ZDUSSCGKSA-N 0 3 322.390 1.662 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588863023 354944557 /nfs/dbraw/zinc/94/45/57/354944557.db2.gz NYGMJSNDNLUBLN-KGLIPLIRSA-N 0 3 319.361 1.184 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@H](CO)[C@H](O)C2)cc1 ZINC000588966441 354952680 /nfs/dbraw/zinc/95/26/80/354952680.db2.gz ZIMUGFGVIKAJEX-IUODEOHRSA-N 0 3 310.350 1.039 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@@](O)(CO)C2)cc1 ZINC000590970138 355225993 /nfs/dbraw/zinc/22/59/93/355225993.db2.gz FIFSYNUHPOIHCU-HNNXBMFYSA-N 0 3 310.350 1.183 20 5 DDBDHN Cn1nccc1[C@H](CO)NCCCOc1ccc([N+](=O)[O-])cc1 ZINC000590971504 355227088 /nfs/dbraw/zinc/22/70/88/355227088.db2.gz HGLSMVWREVXVHP-AWEZNQCLSA-N 0 3 320.349 1.420 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000591083758 355245672 /nfs/dbraw/zinc/24/56/72/355245672.db2.gz DPLHDZOLGYCNDL-ARLBYUKCSA-N 0 3 315.373 1.861 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000591514540 355322803 /nfs/dbraw/zinc/32/28/03/355322803.db2.gz GYBHRKWCWKJYFK-DOMZBBRYSA-N 0 3 303.362 1.988 20 5 DDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000591686218 355362337 /nfs/dbraw/zinc/36/23/37/355362337.db2.gz UQFMCHXJOJESBH-UWVGGRQHSA-N 0 3 318.308 1.573 20 5 DDBDHN CCC[C@@H](C)[C@H](CO)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000593050201 355780404 /nfs/dbraw/zinc/78/04/04/355780404.db2.gz CUJBHKRQUCRSGD-MFKMUULPSA-N 0 3 309.366 1.580 20 5 DDBDHN C[C@@H]1CCN(CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593499001 355904894 /nfs/dbraw/zinc/90/48/94/355904894.db2.gz KPIBXVOZMQALDS-LLVKDONJSA-N 0 3 309.341 1.734 20 5 DDBDHN O=[N+]([O-])c1cccc2c1ccnc2N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594604121 356262575 /nfs/dbraw/zinc/26/25/75/356262575.db2.gz QVHCDSNDCRILKO-NWDGAFQWSA-N 0 3 314.345 1.398 20 5 DDBDHN NC[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000594523970 356242354 /nfs/dbraw/zinc/24/23/54/356242354.db2.gz FZDRZUWSMRNNJA-JTQLQIEISA-N 0 3 320.271 1.326 20 5 DDBDHN COc1cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)cc([N+](=O)[O-])c1C ZINC000595260992 356424797 /nfs/dbraw/zinc/42/47/97/356424797.db2.gz QPOXODPZFGIRJU-GHMZBOCLSA-N 0 3 311.313 1.423 20 5 DDBDHN CC(C)NC(=O)[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595851417 356677042 /nfs/dbraw/zinc/67/70/42/356677042.db2.gz SCYNLXNFNMKQAV-LBPRGKRZSA-N 0 3 309.370 1.028 20 5 DDBDHN CN(CC1=CCSC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595888444 356692716 /nfs/dbraw/zinc/69/27/16/356692716.db2.gz MCQQTXVCSRJBFU-CYBMUJFWSA-N 0 3 324.402 1.940 20 5 DDBDHN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](CN)C(F)(F)F ZINC000595907293 356700560 /nfs/dbraw/zinc/70/05/60/356700560.db2.gz ICOJALORHGQAKH-JTQLQIEISA-N 0 3 320.271 1.355 20 5 DDBDHN NC(=O)c1cc(NC2CCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000596065946 356759484 /nfs/dbraw/zinc/75/94/84/356759484.db2.gz KWZRRPHAAPZLDP-UHFFFAOYSA-N 0 3 304.350 1.732 20 5 DDBDHN CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1CCN(C2CC2)C1 ZINC000596119883 356780284 /nfs/dbraw/zinc/78/02/84/356780284.db2.gz DMEBYVKOUUGEAA-LBPRGKRZSA-N 0 3 304.350 1.367 20 5 DDBDHN CCN1CCN(CCNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000596072865 356762454 /nfs/dbraw/zinc/76/24/54/356762454.db2.gz AHXYOJKIPSCCID-UHFFFAOYSA-N 0 3 319.409 1.612 20 5 DDBDHN CC(C)c1ccc(CN2CCOC3(CNC3)C2)cc1[N+](=O)[O-] ZINC000596102737 356771768 /nfs/dbraw/zinc/77/17/68/356771768.db2.gz XDLFHYGSDKZXNZ-UHFFFAOYSA-N 0 3 305.378 1.892 20 5 DDBDHN CN(C)CC1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000597705527 357293673 /nfs/dbraw/zinc/29/36/73/357293673.db2.gz GINGRKZFNDXMCK-UHFFFAOYSA-N 0 3 319.361 1.578 20 5 DDBDHN CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@@H]1CCN(CC)C1 ZINC000598043207 357440840 /nfs/dbraw/zinc/44/08/40/357440840.db2.gz RYFBXXWLUQISPZ-GFCCVEGCSA-N 0 3 309.370 1.042 20 5 DDBDHN CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000597944573 357394084 /nfs/dbraw/zinc/39/40/84/357394084.db2.gz FPZDIILZZCGZOR-LBPRGKRZSA-N 0 3 307.350 1.526 20 5 DDBDHN CC[C@@H](NCCNC(=O)c1ccn[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000180224522 199133141 /nfs/dbraw/zinc/13/31/41/199133141.db2.gz IFVWRBGSVLFQFU-CYBMUJFWSA-N 0 3 317.349 1.789 20 5 DDBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H]3COCCN3)o2)c1 ZINC000600678507 358280499 /nfs/dbraw/zinc/28/04/99/358280499.db2.gz RPUWFGFAXTYVFA-ZDUSSCGKSA-N 0 3 317.345 1.933 20 5 DDBDHN Cc1ncccc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600762305 358310357 /nfs/dbraw/zinc/31/03/57/358310357.db2.gz QHDTXHDJQIZBLS-OAHLLOKOSA-N 0 3 317.345 1.828 20 5 DDBDHN O=C1C(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1C1CCC1 ZINC000601082999 358398443 /nfs/dbraw/zinc/39/84/43/358398443.db2.gz XPDDPHOETRQNDI-ZDUSSCGKSA-N 0 3 324.358 1.522 20 5 DDBDHN Cc1cc(S(=O)(=O)[N-][C@H](C)CC[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601357320 358514745 /nfs/dbraw/zinc/51/47/45/358514745.db2.gz QPSJGKRIYJQPDL-MRVPVSSYSA-N 0 3 321.424 1.583 20 5 DDBDHN CN(C)[C@@]1(CNc2ncc(F)cc2[N+](=O)[O-])CCSC1 ZINC000601124000 358411866 /nfs/dbraw/zinc/41/18/66/358411866.db2.gz BFNBMXRZKDWQMO-GFCCVEGCSA-N 0 3 300.359 1.978 20 5 DDBDHN O=[N+]([O-])c1ccc2nccc(N3CCN4C[C@H](O)C[C@H]4C3)c2c1 ZINC000601186947 358439470 /nfs/dbraw/zinc/43/94/70/358439470.db2.gz HROASIYTTGZWSJ-QWHCGFSZSA-N 0 3 314.345 1.398 20 5 DDBDHN CN1CC[C@]2(CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000601596467 358617631 /nfs/dbraw/zinc/61/76/31/358617631.db2.gz ONZFQMSWXOKCIQ-HNNXBMFYSA-N 0 3 307.325 1.902 20 5 DDBDHN CCOc1cc(CN[C@@H]2CCC[C@@H]2C(=O)NC)ccc1[N+](=O)[O-] ZINC000348146814 283390010 /nfs/dbraw/zinc/39/00/10/283390010.db2.gz FTSYPIIMVFWLNG-QWHCGFSZSA-N 0 3 321.377 1.998 20 5 DDBDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1OC ZINC000348154478 283393259 /nfs/dbraw/zinc/39/32/59/283393259.db2.gz WDBZPOIYIRJCJF-STQMWFEESA-N 0 3 307.350 1.608 20 5 DDBDHN COC(=O)CC1(NCc2cn(C)nc2[N+](=O)[O-])CCCCC1 ZINC000602794008 359196485 /nfs/dbraw/zinc/19/64/85/359196485.db2.gz CKPBBNNJABXMTE-UHFFFAOYSA-N 0 3 310.354 1.684 20 5 DDBDHN Cn1cc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c([N+](=O)[O-])n1 ZINC000602822350 359216898 /nfs/dbraw/zinc/21/68/98/359216898.db2.gz RUFPZLWNHUPWMO-UPJWGTAASA-N 0 3 306.366 1.766 20 5 DDBDHN CCN1CCCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])CC1 ZINC000602959344 359323120 /nfs/dbraw/zinc/32/31/20/359323120.db2.gz TWYGWNMNTCBJJS-UHFFFAOYSA-N 0 3 307.354 1.280 20 5 DDBDHN COc1cc(Cn2cc(CCN(C)C)nn2)ccc1[N+](=O)[O-] ZINC000603243037 359509212 /nfs/dbraw/zinc/50/92/12/359509212.db2.gz HPLQJTSEWMYWGO-UHFFFAOYSA-N 0 3 305.338 1.347 20 5 DDBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCN(C)C1CC1 ZINC000186742887 200001875 /nfs/dbraw/zinc/00/18/75/200001875.db2.gz ZXRDWHAKFCYECK-LBPRGKRZSA-N 0 3 320.393 1.948 20 5 DDBDHN O=[N+]([O-])c1cnc2ccccc2c1NC[C@H]1CSCCN1 ZINC000603420646 359629624 /nfs/dbraw/zinc/62/96/24/359629624.db2.gz VOUPKQFUIBWSQW-JTQLQIEISA-N 0 3 304.375 1.682 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc2c(c1)CNC2 ZINC000188672902 200285340 /nfs/dbraw/zinc/28/53/40/200285340.db2.gz XIBYDDWXVAHZFK-UHFFFAOYSA-N 0 3 315.333 1.019 20 5 DDBDHN CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000609631596 360339827 /nfs/dbraw/zinc/33/98/27/360339827.db2.gz DQTCOJWHSLLRIN-LLVKDONJSA-N 0 3 307.350 1.552 20 5 DDBDHN C[C@H](NCCCN(C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000610420403 360430668 /nfs/dbraw/zinc/43/06/68/360430668.db2.gz PFKGIWMADRJWJM-NSHDSACASA-N 0 3 315.395 1.527 20 5 DDBDHN COCC1(N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000611178927 360650215 /nfs/dbraw/zinc/65/02/15/360650215.db2.gz TXBYYQACUQCZKY-CYBMUJFWSA-N 0 3 310.350 1.445 20 5 DDBDHN CCN1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000611088151 360619639 /nfs/dbraw/zinc/61/96/39/360619639.db2.gz FRUKRSVEBPPYHP-JTQLQIEISA-N 0 3 317.349 1.637 20 5 DDBDHN CN(C)CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccn1 ZINC000611447576 360722678 /nfs/dbraw/zinc/72/26/78/360722678.db2.gz ZBGKFFNYWJWNNO-UHFFFAOYSA-N 0 3 320.305 1.776 20 5 DDBDHN O=C(CNC1(CO)CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000611463016 360724223 /nfs/dbraw/zinc/72/42/23/360724223.db2.gz MOTQSXPXPZVQTQ-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN CCO[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000612030395 360894252 /nfs/dbraw/zinc/89/42/52/360894252.db2.gz UMSDEWJTKNQMKR-ZIAGYGMSSA-N 0 3 324.377 1.835 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccncc2)CC1 ZINC000618896872 363787102 /nfs/dbraw/zinc/78/71/02/363787102.db2.gz DQXCCKFFHKWSGJ-UHFFFAOYSA-N 0 3 315.333 1.291 20 5 DDBDHN Cc1cc(C(=O)N2CCC[C@](O)(CN(C)C)C2)ccc1[N+](=O)[O-] ZINC000618923045 363802876 /nfs/dbraw/zinc/80/28/76/363802876.db2.gz BPZWPULPUCGVTG-INIZCTEOSA-N 0 3 321.377 1.432 20 5 DDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262741872 203397430 /nfs/dbraw/zinc/39/74/30/203397430.db2.gz DXTLNTSYLSMOFW-DTWKUNHWSA-N 0 3 303.322 1.294 20 5 DDBDHN CCN1CCCC[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000264683935 204077340 /nfs/dbraw/zinc/07/73/40/204077340.db2.gz LFYNKGWMZAZFTH-AWEZNQCLSA-N 0 3 321.377 1.964 20 5 DDBDHN C[C@@H](CO)[C@@H](C)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000274042311 211299299 /nfs/dbraw/zinc/29/92/99/211299299.db2.gz ORNJLDWOWZEJMU-DTWKUNHWSA-N 0 3 315.757 1.793 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284408555 218015265 /nfs/dbraw/zinc/01/52/65/218015265.db2.gz NUHFCYSEFFQDDC-OQPBUACISA-N 0 3 322.340 1.529 20 5 DDBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)N1CCCC[C@H]1C ZINC000339003573 250241446 /nfs/dbraw/zinc/24/14/46/250241446.db2.gz OCJKYRYAEGHHQS-MNOVXSKESA-N 0 3 321.381 1.764 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](N(C)C)C1 ZINC000109808099 194287654 /nfs/dbraw/zinc/28/76/54/194287654.db2.gz IKEGSGFHYNYGMY-CYBMUJFWSA-N 0 3 320.393 1.868 20 5 DDBDHN COC(=O)[C@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000340407408 251051203 /nfs/dbraw/zinc/05/12/03/251051203.db2.gz KSMBDZAHCOCBFD-LBPRGKRZSA-N 0 3 308.334 1.859 20 5 DDBDHN CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000340472095 251072505 /nfs/dbraw/zinc/07/25/05/251072505.db2.gz AOIUPGQMHVSXAJ-LLVKDONJSA-N 0 3 310.354 1.010 20 5 DDBDHN CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000340472095 251072508 /nfs/dbraw/zinc/07/25/08/251072508.db2.gz AOIUPGQMHVSXAJ-LLVKDONJSA-N 0 3 310.354 1.010 20 5 DDBDHN Cc1c(NC(=O)CCN(CC(N)=O)C(C)C)cccc1[N+](=O)[O-] ZINC000063483186 184282967 /nfs/dbraw/zinc/28/29/67/184282967.db2.gz LUKYRMAEUBGOKA-UHFFFAOYSA-N 0 3 322.365 1.428 20 5 DDBDHN O=C(CNC[C@@H]1CCCO1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000269208280 207326458 /nfs/dbraw/zinc/32/64/58/207326458.db2.gz FJSVUTJLYAKQSL-NSHDSACASA-N 0 3 305.334 1.253 20 5 DDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@H]1CNCCO1 ZINC000269248554 207385983 /nfs/dbraw/zinc/38/59/83/207385983.db2.gz LURYASKACDZUDH-HNNXBMFYSA-N 0 3 321.377 1.710 20 5 DDBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000272969445 210352224 /nfs/dbraw/zinc/35/22/24/210352224.db2.gz BETPXVWPUCPMJR-KGLIPLIRSA-N 0 3 324.377 1.835 20 5 DDBDHN COC(=O)[C@@](C)(O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547221 533094838 /nfs/dbraw/zinc/09/48/38/533094838.db2.gz KOXZQPCGCBWWTQ-BBRMVZONSA-N 0 3 322.361 1.698 20 5 DDBDHN COC[C@H]1CCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000452035171 533130233 /nfs/dbraw/zinc/13/02/33/533130233.db2.gz GDRVOODIDLLGDF-ZIAGYGMSSA-N 0 3 324.377 1.835 20 5 DDBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000330738495 533592392 /nfs/dbraw/zinc/59/23/92/533592392.db2.gz NPJSRCNVEBUALW-LLVKDONJSA-N 0 3 320.393 1.979 20 5 DDBDHN C[C@@H]1C[C@@H](O)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000452072014 533673018 /nfs/dbraw/zinc/67/30/18/533673018.db2.gz TWVVAQHRBWQYIP-JHJVBQTASA-N 0 3 310.350 1.037 20 5 DDBDHN C[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000353511968 285777870 /nfs/dbraw/zinc/77/78/70/285777870.db2.gz BXQMNSFPYRNQRZ-SWLSCSKDSA-N 0 3 317.393 1.957 20 5 DDBDHN Cc1ccc([C@H](C)NCCN2C(=O)CCC2=O)cc1[N+](=O)[O-] ZINC000089683480 407144296 /nfs/dbraw/zinc/14/42/96/407144296.db2.gz YUXHDPJFIDJORV-NSHDSACASA-N 0 3 305.334 1.703 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N(C)C2CC2)c1 ZINC000057701195 407217275 /nfs/dbraw/zinc/21/72/75/407217275.db2.gz QLMTWQWNYPKIAH-SNVBAGLBSA-N 0 3 307.350 1.816 20 5 DDBDHN CC(=O)NC[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000067412549 407273420 /nfs/dbraw/zinc/27/34/20/407273420.db2.gz NSHJEQRPDLPIMG-CQSZACIVSA-N 0 3 321.377 1.822 20 5 DDBDHN COCCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000171126782 407604013 /nfs/dbraw/zinc/60/40/13/407604013.db2.gz JJKXKOVKFZWGLW-UHFFFAOYSA-N 0 3 321.377 1.826 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266758725 407625903 /nfs/dbraw/zinc/62/59/03/407625903.db2.gz GUPCUFICYSYZNT-AWEZNQCLSA-N 0 3 320.393 1.921 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000115436590 407681395 /nfs/dbraw/zinc/68/13/95/407681395.db2.gz DEFCFJGWPWKJDD-ZDUSSCGKSA-N 0 3 323.397 1.290 20 5 DDBDHN CCc1n[nH]c(C(=O)N(C)CCCn2ccnc2C)c1[N+](=O)[O-] ZINC000179023473 407695831 /nfs/dbraw/zinc/69/58/31/407695831.db2.gz VTTYTIBOJXOLBU-UHFFFAOYSA-N 0 3 320.353 1.548 20 5 DDBDHN CCc1n[n-]c(C(=O)N(C)CCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000179023473 407695838 /nfs/dbraw/zinc/69/58/38/407695838.db2.gz VTTYTIBOJXOLBU-UHFFFAOYSA-N 0 3 320.353 1.548 20 5 DDBDHN CN(C)C[C@](C)(O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000153023898 407736783 /nfs/dbraw/zinc/73/67/83/407736783.db2.gz UDIJOUIMVYSALH-RZIFZGNASA-N 0 3 307.350 1.037 20 5 DDBDHN CN(C)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000267245631 407806110 /nfs/dbraw/zinc/80/61/10/407806110.db2.gz NKHKMLFPLGCUHN-QMMMGPOBSA-N 0 3 315.171 1.893 20 5 DDBDHN CN(CCCN1CCN(C)CC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000272432247 407918283 /nfs/dbraw/zinc/91/82/83/407918283.db2.gz HUPWSECRIUULIS-UHFFFAOYSA-N 0 3 324.400 1.803 20 5 DDBDHN CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C)C1 ZINC000153896321 407927225 /nfs/dbraw/zinc/92/72/25/407927225.db2.gz AJQDQOXVUQVKEB-ZDUSSCGKSA-N 0 3 307.350 1.526 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272577430 407991282 /nfs/dbraw/zinc/99/12/82/407991282.db2.gz GJQORMICQLVFOZ-WFASDCNBSA-N 0 3 319.361 1.526 20 5 DDBDHN Cc1nn(CCC(=O)N2C[C@@H](C)NC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000272604625 408003679 /nfs/dbraw/zinc/00/36/79/408003679.db2.gz RJKNJPLYXNFJSL-NXEZZACHSA-N 0 3 309.370 1.007 20 5 DDBDHN CSCCN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182024215 408066148 /nfs/dbraw/zinc/06/61/48/408066148.db2.gz KHFYWDBEZQWPAQ-LLVKDONJSA-N 0 3 300.380 1.629 20 5 DDBDHN C[C@H](CN1CCCCC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000175968585 408253898 /nfs/dbraw/zinc/25/38/98/408253898.db2.gz NWYXFLXKDUKVIS-LLVKDONJSA-N 0 3 306.366 1.781 20 5 DDBDHN CCOC[C@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246310950 408216883 /nfs/dbraw/zinc/21/68/83/408216883.db2.gz ZIRMKDXYAXURSF-DZGCQCFKSA-N 0 3 324.377 1.693 20 5 DDBDHN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCO1 ZINC000183113629 408329101 /nfs/dbraw/zinc/32/91/01/408329101.db2.gz MHZLWDOYAXSHNR-IAQYHMDHSA-N 0 3 319.361 1.641 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](c2cc[nH]n2)C1 ZINC000131260110 162009557 /nfs/dbraw/zinc/00/95/57/162009557.db2.gz QUWXKTNIJFDGNH-LBPRGKRZSA-N 0 3 317.349 1.359 20 5 DDBDHN CCc1n[nH]c(C(=O)NC2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000263983931 408336119 /nfs/dbraw/zinc/33/61/19/408336119.db2.gz RLOOBVWQFUFIER-UHFFFAOYSA-N 0 3 307.354 1.237 20 5 DDBDHN CCOc1ccc(C(=O)N2CC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000170860052 162195101 /nfs/dbraw/zinc/19/51/01/162195101.db2.gz RCGHAESFCYLIEL-LBPRGKRZSA-N 0 3 307.350 1.770 20 5 DDBDHN CN1CCN(CCCNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269650615 408374501 /nfs/dbraw/zinc/37/45/01/408374501.db2.gz QNCQVNOPFGGTFZ-UHFFFAOYSA-N 0 3 314.336 1.922 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c(N)c([N+](=O)[O-])c1 ZINC000177007233 408495233 /nfs/dbraw/zinc/49/52/33/408495233.db2.gz KDVJCBOFNGHVND-NWDGAFQWSA-N 0 3 318.377 1.794 20 5 DDBDHN CN(C)C[C@](C)(O)CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000269923806 408471235 /nfs/dbraw/zinc/47/12/35/408471235.db2.gz QLTCXODEFARGKI-OAHLLOKOSA-N 0 3 320.349 1.119 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000177213515 408553042 /nfs/dbraw/zinc/55/30/42/408553042.db2.gz CNXGJJXMYGKGBZ-CMPLNLGQSA-N 0 3 321.381 1.231 20 5 DDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000184290857 408585532 /nfs/dbraw/zinc/58/55/32/408585532.db2.gz YYSXZEVXPWQYQL-CYBMUJFWSA-N 0 3 320.393 1.351 20 5 DDBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000264624235 408542873 /nfs/dbraw/zinc/54/28/73/408542873.db2.gz OSGIAMUTRYQBBQ-LLVKDONJSA-N 0 3 313.379 1.310 20 5 DDBDHN Cc1[nH]nc(C(=O)Nc2ccccc2CCN(C)C)c1[N+](=O)[O-] ZINC000275892711 408712889 /nfs/dbraw/zinc/71/28/89/408712889.db2.gz PWSPHWNSWUTDRO-UHFFFAOYSA-N 0 3 317.349 1.983 20 5 DDBDHN C[C@@H]1CC(O)C[C@@H](C)N1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249078349 408684088 /nfs/dbraw/zinc/68/40/88/408684088.db2.gz SEQAWAMGMUYOIR-LALPHHSUSA-N 0 3 324.377 1.568 20 5 DDBDHN CO[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1C ZINC000251933782 408791387 /nfs/dbraw/zinc/79/13/87/408791387.db2.gz UBUONCFZSBKOJG-XNRPHZJLSA-N 0 3 324.377 1.691 20 5 DDBDHN COC(=O)c1cnc(NCCN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000276549737 408881063 /nfs/dbraw/zinc/88/10/63/408881063.db2.gz KEFVTKXJSRPNKU-UHFFFAOYSA-N 0 3 322.365 1.920 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000168307202 408818508 /nfs/dbraw/zinc/81/85/08/408818508.db2.gz NDYSOTJPMMEURY-NSHDSACASA-N 0 3 307.350 1.818 20 5 DDBDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000189460053 163101887 /nfs/dbraw/zinc/10/18/87/163101887.db2.gz ZXSDTJMDVLHYGU-NSHDSACASA-N 0 3 313.423 1.933 20 5 DDBDHN C[C@@H]1COCC[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000277439628 408941379 /nfs/dbraw/zinc/94/13/79/408941379.db2.gz LFDRRGDPNRBGAF-BXUZGUMPSA-N 0 3 307.350 1.572 20 5 DDBDHN C[C@H]1NCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]1C ZINC000277500202 408952707 /nfs/dbraw/zinc/95/27/07/408952707.db2.gz PAAIEGIWZIAWKD-BDAKNGLRSA-N 0 3 308.294 1.325 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000277643427 408983825 /nfs/dbraw/zinc/98/38/25/408983825.db2.gz UFVRNGWUAUUQHF-LBPRGKRZSA-N 0 3 307.350 1.770 20 5 DDBDHN Cn1nncc1CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000287385824 409029514 /nfs/dbraw/zinc/02/95/14/409029514.db2.gz PTGOYWCYYHCXKX-CQSZACIVSA-N 0 3 301.350 1.834 20 5 DDBDHN CN(C)CCN(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279418748 409210534 /nfs/dbraw/zinc/21/05/34/409210534.db2.gz YAKFRNIMRXFKED-UHFFFAOYSA-N 0 3 317.748 1.950 20 5 DDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295389147 409462248 /nfs/dbraw/zinc/46/22/48/409462248.db2.gz KZODMTYQMSYXRX-PMPSAXMXSA-N 0 3 321.377 1.033 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C1CC(O)C1 ZINC000353484995 164123528 /nfs/dbraw/zinc/12/35/28/164123528.db2.gz LQDHHAMEMBNCQI-UHFFFAOYSA-N 0 3 307.350 1.687 20 5 DDBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356715586 409545961 /nfs/dbraw/zinc/54/59/61/409545961.db2.gz SEZIUXJWURPXQU-GFCCVEGCSA-N 0 3 323.397 1.569 20 5 DDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CN(C)CCN1C ZINC000344918378 409553274 /nfs/dbraw/zinc/55/32/74/409553274.db2.gz XOFRILVQWCBZRH-CRPZLVSXSA-N 0 3 318.421 1.834 20 5 DDBDHN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccccc1 ZINC000345078491 409620451 /nfs/dbraw/zinc/62/04/51/409620451.db2.gz UTRGWQCULUWIKD-CQSZACIVSA-N 0 3 316.361 1.966 20 5 DDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H](O)C1 ZINC000304228585 409579367 /nfs/dbraw/zinc/57/93/67/409579367.db2.gz MLYBWZAXZBQJOR-LBPRGKRZSA-N 0 3 321.333 1.350 20 5 DDBDHN C[C@@H]1CCN(C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000354008302 409595653 /nfs/dbraw/zinc/59/56/53/409595653.db2.gz SCCRHAYUKZANOH-CYBMUJFWSA-N 0 3 321.377 1.916 20 5 DDBDHN COCCN1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000354147468 409695268 /nfs/dbraw/zinc/69/52/68/409695268.db2.gz DECPUABOHKDPQQ-OAHLLOKOSA-N 0 3 321.377 1.364 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCc3c2cccc3O)c1 ZINC000296962582 409728862 /nfs/dbraw/zinc/72/88/62/409728862.db2.gz YIRUTSBKPVIQOW-SMDDNHRTSA-N 0 3 318.333 1.135 20 5 DDBDHN C[C@H](N[C@@H]1CCCN(C)[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000342709359 409835547 /nfs/dbraw/zinc/83/55/47/409835547.db2.gz JUMUHURTZHADPT-YWPYICTPSA-N 0 3 320.393 1.994 20 5 DDBDHN C[C@@H]1[C@H](C)N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000357005050 409786465 /nfs/dbraw/zinc/78/64/65/409786465.db2.gz QQQNWFUNWPLTET-IPYPFGDCSA-N 0 3 323.393 1.359 20 5 DDBDHN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCOC1 ZINC000332169454 409944634 /nfs/dbraw/zinc/94/46/34/409944634.db2.gz VRDCMETYJMCMBY-ZOWXZIJZSA-N 0 3 319.361 1.715 20 5 DDBDHN CN1CCC(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000332240228 410008012 /nfs/dbraw/zinc/00/80/12/410008012.db2.gz IQCPRYFWDBAYSW-UHFFFAOYSA-N 0 3 302.334 1.900 20 5 DDBDHN C[C@@H](CN1CCCCC1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000298475065 410246254 /nfs/dbraw/zinc/24/62/54/410246254.db2.gz RMMZCFWHDLVONW-JTQLQIEISA-N 0 3 307.354 1.375 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343460460 410469692 /nfs/dbraw/zinc/46/96/92/410469692.db2.gz RVBOVKYMYFVITK-STQMWFEESA-N 0 3 320.393 1.996 20 5 DDBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000352185437 410530208 /nfs/dbraw/zinc/53/02/08/410530208.db2.gz CJMXVBAGUNIJFI-STQMWFEESA-N 0 3 310.350 1.445 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343612224 410569689 /nfs/dbraw/zinc/56/96/89/410569689.db2.gz VNXXGSLPKKRKBI-FZMZJTMJSA-N 0 3 306.366 1.877 20 5 DDBDHN CCCN(C)CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000355592618 410596052 /nfs/dbraw/zinc/59/60/52/410596052.db2.gz YUMCSRBFQVGRRP-GFCCVEGCSA-N 0 3 321.381 1.344 20 5 DDBDHN O=C1COc2cc([N+](=O)[O-])c(NCCN3CCCCC3)cc2N1 ZINC000301121040 410662262 /nfs/dbraw/zinc/66/22/62/410662262.db2.gz XZGPCTUWIHBTHJ-UHFFFAOYSA-N 0 3 320.349 1.824 20 5 DDBDHN CCN1CCN(CCCNc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000301302063 410697039 /nfs/dbraw/zinc/69/70/39/410697039.db2.gz VQQSPUJZJQVGBC-UHFFFAOYSA-N 0 3 310.402 1.076 20 5 DDBDHN CCN1CCN([C@H](C)CNc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000301520625 410735341 /nfs/dbraw/zinc/73/53/41/410735341.db2.gz LCYIEINDNXJBOA-CYBMUJFWSA-N 0 3 307.398 1.736 20 5 DDBDHN CC(C)(C)[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000343884842 410775979 /nfs/dbraw/zinc/77/59/79/410775979.db2.gz VRKWPMQYDWUDTF-YPMHNXCESA-N 0 3 308.382 1.883 20 5 DDBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000341052804 410881587 /nfs/dbraw/zinc/88/15/87/410881587.db2.gz FXHDSUSTZANVNR-TXEJJXNPSA-N 0 3 309.370 1.170 20 5 DDBDHN Cc1cc(OCC(=O)N[C@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000331201532 411015703 /nfs/dbraw/zinc/01/57/03/411015703.db2.gz QJKPRYYDDORZGF-STQMWFEESA-N 0 3 321.377 1.881 20 5 DDBDHN CCCc1n[nH]c(C(=O)N(C)C[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000331241398 411035602 /nfs/dbraw/zinc/03/56/02/411035602.db2.gz NGEDMVUONDYAIN-SNVBAGLBSA-N 0 3 309.370 1.437 20 5 DDBDHN CCCc1[nH]nc(C(=O)N(C)C[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000331241398 411035608 /nfs/dbraw/zinc/03/56/08/411035608.db2.gz NGEDMVUONDYAIN-SNVBAGLBSA-N 0 3 309.370 1.437 20 5 DDBDHN COC(=O)COc1ccc(CNCC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000353755641 411123487 /nfs/dbraw/zinc/12/34/87/411123487.db2.gz COHJPYFMTROOLK-SNVBAGLBSA-N 0 3 312.322 1.007 20 5 DDBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000366191604 418440865 /nfs/dbraw/zinc/44/08/65/418440865.db2.gz GKHUVGZOOPQDQS-OAHLLOKOSA-N 0 3 319.361 1.578 20 5 DDBDHN N=C(NO)[C@@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000374175509 418500584 /nfs/dbraw/zinc/50/05/84/418500584.db2.gz OYKFWAFYQJIIRT-ZDUSSCGKSA-N 0 3 308.338 1.784 20 5 DDBDHN CNC(=O)c1ccc(N2CC[C@@H]3CCN(C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000375035557 418592230 /nfs/dbraw/zinc/59/22/30/418592230.db2.gz CTNFLEBQLKZOOS-NHYWBVRUSA-N 0 3 318.377 1.485 20 5 DDBDHN CCOc1cc(CN2CC[C@H]3C(=O)NC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000368063173 418682924 /nfs/dbraw/zinc/68/29/24/418682924.db2.gz MLSLBHXJOMLPQM-CHWSQXEVSA-N 0 3 319.361 1.561 20 5 DDBDHN C[C@@H](CO)N1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000364923913 418822176 /nfs/dbraw/zinc/82/21/76/418822176.db2.gz RYSYZPYTUULFJE-SZTZYQKNSA-N 0 3 319.405 1.997 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1NC[C@@H]1CN3CCC[C@H]3CO1)CCN2 ZINC000365542873 418873549 /nfs/dbraw/zinc/87/35/49/418873549.db2.gz CBCZIJHOAXOHMA-NWDGAFQWSA-N 0 3 318.377 1.838 20 5 DDBDHN Cc1cc(NC(=O)C(=O)NCCN(C)C(C)C)ccc1[N+](=O)[O-] ZINC000411245548 418883475 /nfs/dbraw/zinc/88/34/75/418883475.db2.gz PBCJFFOMFXFXKU-UHFFFAOYSA-N 0 3 322.365 1.298 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@H]1CCCN1C ZINC000420997585 419434733 /nfs/dbraw/zinc/43/47/33/419434733.db2.gz HGYTVQDGUIUGRL-CQSZACIVSA-N 0 3 320.393 1.868 20 5 DDBDHN CN(C)C(=O)[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000411948242 419514685 /nfs/dbraw/zinc/51/46/85/419514685.db2.gz UOMRNIVGVCFORE-LBPRGKRZSA-N 0 3 307.350 1.384 20 5 DDBDHN C[C@@H]1C[C@H](O)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000412042129 419581327 /nfs/dbraw/zinc/58/13/27/419581327.db2.gz TWVVAQHRBWQYIP-AGIUHOORSA-N 0 3 310.350 1.037 20 5 DDBDHN COCCNCCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418240515 419640753 /nfs/dbraw/zinc/64/07/53/419640753.db2.gz ZQEJQHAPFNUSKN-NSHDSACASA-N 0 3 310.354 1.191 20 5 DDBDHN C[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCN1CCO ZINC000428460085 419873249 /nfs/dbraw/zinc/87/32/49/419873249.db2.gz FYAIIRXUAMBPQI-SDQPKGBYSA-N 0 3 305.378 1.606 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CNCCO3)o2)cc1 ZINC000415096419 419941083 /nfs/dbraw/zinc/94/10/83/419941083.db2.gz PTEWGVXIPQHWRK-HNNXBMFYSA-N 0 3 317.345 1.933 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CNCCO1 ZINC000415297902 420011717 /nfs/dbraw/zinc/01/17/17/420011717.db2.gz ORFKMACNRHXLPZ-NSHDSACASA-N 0 3 308.338 1.322 20 5 DDBDHN N[C@H](CC(F)F)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423842748 420220727 /nfs/dbraw/zinc/22/07/27/420220727.db2.gz KGQNSSSRZSQDCI-SECBINFHSA-N 0 3 307.684 1.847 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@H](C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000420451241 420296158 /nfs/dbraw/zinc/29/61/58/420296158.db2.gz YWGZZLTWRLXNKW-SNVBAGLBSA-N 0 3 301.368 1.309 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CCN(C)C1 ZINC000416498112 420394308 /nfs/dbraw/zinc/39/43/08/420394308.db2.gz WLEZEPWPBOQXRX-NSHDSACASA-N 0 3 313.379 1.133 20 5 DDBDHN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000302149581 230126281 /nfs/dbraw/zinc/12/62/81/230126281.db2.gz JTBHITHPXDXTIP-CYBMUJFWSA-N 0 3 301.350 1.970 20 5 DDBDHN COc1cccc(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000438786476 420465534 /nfs/dbraw/zinc/46/55/34/420465534.db2.gz YMHPKXXFIWLTHO-AWEZNQCLSA-N 0 3 320.349 1.293 20 5 DDBDHN CNc1nc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000457084949 420603996 /nfs/dbraw/zinc/60/39/96/420603996.db2.gz GYXWGXZXRRVXAJ-NSHDSACASA-N 0 3 321.381 1.586 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCN1CCCO ZINC000452781829 420659621 /nfs/dbraw/zinc/65/96/21/420659621.db2.gz ISQXBOGSYLMJOX-OAHLLOKOSA-N 0 3 321.377 1.100 20 5 DDBDHN COC(=O)COc1ccc(CN[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000453607151 420734858 /nfs/dbraw/zinc/73/48/58/420734858.db2.gz BCAFAKREIGESGP-DGCLKSJQSA-N 0 3 324.333 1.150 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCCS1(=O)=O ZINC000449189795 420966322 /nfs/dbraw/zinc/96/63/22/420966322.db2.gz MUKINCWSOLZKLK-WCQYABFASA-N 0 3 312.391 1.693 20 5 DDBDHN CN(C)CCOCCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000471634061 420934766 /nfs/dbraw/zinc/93/47/66/420934766.db2.gz IPIPIGVBHCVJIB-UHFFFAOYSA-N 0 3 324.381 1.314 20 5 DDBDHN CNc1nc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000456071890 421096431 /nfs/dbraw/zinc/09/64/31/421096431.db2.gz TXGGSLWQMBYWCT-OAHLLOKOSA-N 0 3 319.365 1.199 20 5 DDBDHN CC(C)[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000488177655 421073544 /nfs/dbraw/zinc/07/35/44/421073544.db2.gz FZZUUTDAIFQADI-HNNXBMFYSA-N 0 3 320.393 1.805 20 5 DDBDHN C[C@@H]1CN(CCO)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449786395 421084856 /nfs/dbraw/zinc/08/48/56/421084856.db2.gz NMYODXAENJIQKC-YVARQFDVSA-N 0 3 305.378 1.606 20 5 DDBDHN CN1CCC(n2ccc(Nc3ccc([N+](=O)[O-])nc3)n2)CC1 ZINC000450482139 421202485 /nfs/dbraw/zinc/20/24/85/421202485.db2.gz GEOZHZZQMPUZAK-UHFFFAOYSA-N 0 3 302.338 2.197 20 5 DDBDHN CCC[C@@H](C)[C@H](CO)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000564090221 421568378 /nfs/dbraw/zinc/56/83/78/421568378.db2.gz MVTMJRUKAYPYOT-DOMZBBRYSA-N 0 3 323.393 1.944 20 5 DDBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000554599988 421654188 /nfs/dbraw/zinc/65/41/88/421654188.db2.gz PUMHFNUTXAJVQW-LLVKDONJSA-N 0 3 309.370 1.275 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCC3(O)CCC3)C2)nc1 ZINC000520531258 421754480 /nfs/dbraw/zinc/75/44/80/421754480.db2.gz HXAWEFMGTVSIGW-GFCCVEGCSA-N 0 3 306.366 1.781 20 5 DDBDHN C[C@H](O)[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000543141266 421833934 /nfs/dbraw/zinc/83/39/34/421833934.db2.gz USEHCVPIPDLEBB-MJBXVCDLSA-N 0 3 324.377 1.427 20 5 DDBDHN CC[C@H](CCO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573120038 421924588 /nfs/dbraw/zinc/92/45/88/421924588.db2.gz CJJVTILTOWQBRX-LLVKDONJSA-N 0 3 316.379 1.119 20 5 DDBDHN O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCCN4CCCC[C@@H]34)nn21 ZINC000594602465 422352341 /nfs/dbraw/zinc/35/23/41/422352341.db2.gz QSPYHSOGWXNCFB-NEPJUHHUSA-N 0 3 316.365 2.066 20 5 DDBDHN CC[C@@]1(O)CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000602983368 422440732 /nfs/dbraw/zinc/44/07/32/422440732.db2.gz IWZIWTXEPXHMNH-XJKSGUPXSA-N 0 3 324.377 1.571 20 5 DDBDHN Cc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1Cl ZINC000578880576 422667026 /nfs/dbraw/zinc/66/70/26/422667026.db2.gz GXVREFBDOAPILS-ZDUSSCGKSA-N 0 3 324.768 1.904 20 5 DDBDHN Cn1cc([C@@H](NCCn2ccc([N+](=O)[O-])n2)C(C)(C)C)cn1 ZINC000342337623 271381629 /nfs/dbraw/zinc/38/16/29/271381629.db2.gz MUDQSFJZQPLKSD-CYBMUJFWSA-N 0 3 306.370 1.902 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@H]1C(=O)NC ZINC000345819385 272343674 /nfs/dbraw/zinc/34/36/74/272343674.db2.gz PPWOPJJKURYVNF-KGLIPLIRSA-N 0 3 321.377 1.998 20 5 DDBDHN CS[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270519350 278149031 /nfs/dbraw/zinc/14/90/31/278149031.db2.gz SKHSNTASQLANEE-ZIAGYGMSSA-N 0 3 323.418 1.641 20 5 DDBDHN CN1CCC(CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000362972183 300191690 /nfs/dbraw/zinc/19/16/90/300191690.db2.gz IYTNMMBLBMYYAR-UHFFFAOYSA-N 0 3 318.377 1.606 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CC[C@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000368587546 301058438 /nfs/dbraw/zinc/05/84/38/301058438.db2.gz DACMUPGTYLDVJN-KOLCDFICSA-N 0 3 307.354 1.047 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CC[C@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000368587546 301058441 /nfs/dbraw/zinc/05/84/41/301058441.db2.gz DACMUPGTYLDVJN-KOLCDFICSA-N 0 3 307.354 1.047 20 5 DDBDHN CC(C)[C@]1(CO)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000377651844 302204107 /nfs/dbraw/zinc/20/41/07/302204107.db2.gz KGAWZKZZVPQTKD-HZPDHXFCSA-N 0 3 308.378 1.969 20 5 DDBDHN O=C1NC[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@H]12 ZINC000377673044 302209366 /nfs/dbraw/zinc/20/93/66/302209366.db2.gz RLMNOGOHGSYJAW-RISCZKNCSA-N 0 3 305.334 1.042 20 5 DDBDHN CNc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000532078035 303274965 /nfs/dbraw/zinc/27/49/65/303274965.db2.gz IJQDDULYVBYBNF-HZMBPMFUSA-N 0 3 318.377 1.849 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccncc2)c1 ZINC000551574697 303633978 /nfs/dbraw/zinc/63/39/78/303633978.db2.gz NCJHJWMVHMVLKR-CQSZACIVSA-N 0 3 303.318 1.519 20 5 DDBDHN COC(=O)c1cnc(N2CC[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000365078310 307057903 /nfs/dbraw/zinc/05/79/03/307057903.db2.gz STZDXCWYRUIEIG-GXFFZTMASA-N 0 3 320.349 1.307 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H]([C@H]2CCOC2)C1 ZINC000367142504 307087015 /nfs/dbraw/zinc/08/70/15/307087015.db2.gz XKUSYUFGUVJORP-STQMWFEESA-N 0 3 307.350 1.115 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCC(c3cnccn3)CC2)c1 ZINC000375728113 307229698 /nfs/dbraw/zinc/22/96/98/307229698.db2.gz XTTGNLNCQDHFIN-UHFFFAOYSA-N 0 3 302.338 1.461 20 5 DDBDHN CC(COC(=O)CCCN(C)C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496423280 307341663 /nfs/dbraw/zinc/34/16/63/307341663.db2.gz ZRCSILAPWSVRRO-SNVBAGLBSA-N 0 3 304.343 1.842 20 5 DDBDHN C[C@H](NC[C@@H](O)COC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000553407099 307830272 /nfs/dbraw/zinc/83/02/72/307830272.db2.gz XWIDHAGSALNVLJ-MJBXVCDLSA-N 0 3 324.377 1.802 20 5 DDBDHN NC(=O)c1cccc(N2CC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000566717238 308061019 /nfs/dbraw/zinc/06/10/19/308061019.db2.gz SEEMUACNRJPOAY-LLVKDONJSA-N 0 3 304.350 1.368 20 5 DDBDHN Cc1cc(CCNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)on1 ZINC000568621016 308124577 /nfs/dbraw/zinc/12/45/77/308124577.db2.gz QECLVKUXJKSWGT-CYBMUJFWSA-N 0 3 321.333 1.463 20 5 DDBDHN CNc1nc(C(=O)NC[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000572358499 308218821 /nfs/dbraw/zinc/21/88/21/308218821.db2.gz DSXVNZXVUZORPD-SNVBAGLBSA-N 0 3 307.354 1.103 20 5 DDBDHN CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821242874 606732440 /nfs/dbraw/zinc/73/24/40/606732440.db2.gz XGIKUCLABASLQB-RNCFNFMXSA-N 0 3 317.353 1.527 20 5 DDBDHN CC[N@H+]1C[C@@H](C)[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821242874 606732442 /nfs/dbraw/zinc/73/24/42/606732442.db2.gz XGIKUCLABASLQB-RNCFNFMXSA-N 0 3 317.353 1.527 20 5 DDBDHN CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821242874 606732443 /nfs/dbraw/zinc/73/24/43/606732443.db2.gz XGIKUCLABASLQB-RNCFNFMXSA-N 0 3 317.353 1.527 20 5 DDBDHN CC[N@H+]1C[C@@H](C)[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821242874 606732445 /nfs/dbraw/zinc/73/24/45/606732445.db2.gz XGIKUCLABASLQB-RNCFNFMXSA-N 0 3 317.353 1.527 20 5 DDBDHN O=C(CCN1C[C@H]2C[C@@]2(CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782618720 698751803 /nfs/dbraw/zinc/75/18/03/698751803.db2.gz OKBGYCILPRLILP-BMIGLBTASA-N 0 3 323.324 1.377 20 5 DDBDHN CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000732165313 699548643 /nfs/dbraw/zinc/54/86/43/699548643.db2.gz DZCMTFNIOPBJBW-LBPRGKRZSA-N 0 3 304.350 1.486 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCN2CCC[C@@H]2C)n1 ZINC000804520669 701197250 /nfs/dbraw/zinc/19/72/50/701197250.db2.gz HMIGSVRXFSOQEZ-JTQLQIEISA-N 0 3 308.338 1.673 20 5 DDBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000807987420 701493550 /nfs/dbraw/zinc/49/35/50/701493550.db2.gz LHVZBCVGBFYGEC-JTQLQIEISA-N 0 3 324.356 1.872 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000816954722 702238782 /nfs/dbraw/zinc/23/87/82/702238782.db2.gz JJNZEHZHEDHZFL-TVQRCGJNSA-N 0 3 320.305 1.279 20 5 DDBDHN COc1ccc([C@H](CC(=O)OCC(C)[N+](=O)[O-])NC(C)=O)cc1 ZINC000813100033 702290325 /nfs/dbraw/zinc/29/03/25/702290325.db2.gz KLBZCJAJCQKFHD-YGRLFVJLSA-N 0 3 324.333 1.471 20 5 DDBDHN CC(COC(=O)c1ccccc1S[C@H](C)C(N)=O)[N+](=O)[O-] ZINC000813101973 702290778 /nfs/dbraw/zinc/29/07/78/702290778.db2.gz MGPJIRUSJABTGA-RKDXNWHRSA-N 0 3 312.347 1.475 20 5 DDBDHN CC(C)S(=O)(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102067 702291376 /nfs/dbraw/zinc/29/13/76/702291376.db2.gz ALGQGUCSSWDXMH-SNVBAGLBSA-N 0 3 315.347 1.691 20 5 DDBDHN Cc1ccc(C(=O)N[C@@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C)cc1 ZINC000813108779 702295531 /nfs/dbraw/zinc/29/55/31/702295531.db2.gz ALNOHVROLCKLJA-TZMCWYRMSA-N 0 3 322.361 1.958 20 5 DDBDHN CC(COC(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1)[N+](=O)[O-] ZINC000813111042 702297354 /nfs/dbraw/zinc/29/73/54/702297354.db2.gz AZMJYBCWMWOXLL-IUCAKERBSA-N 0 3 319.310 1.196 20 5 DDBDHN CC(COC(=O)[C@H]1CCCN1C(=O)c1ccccc1)[N+](=O)[O-] ZINC000813113859 702297935 /nfs/dbraw/zinc/29/79/35/702297935.db2.gz VNERIHATECSFIK-DGCLKSJQSA-N 0 3 306.318 1.500 20 5 DDBDHN Cc1nc2ccnn2c(C)c1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813112143 702298147 /nfs/dbraw/zinc/29/81/47/702298147.db2.gz CIMJYGPNMLSWLM-VIFPVBQESA-N 0 3 306.322 1.487 20 5 DDBDHN NC(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C(F)(F)F ZINC000831217967 706660024 /nfs/dbraw/zinc/66/00/24/706660024.db2.gz POTCUVHVMZGRAC-QMMMGPOBSA-N 0 3 311.647 1.754 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2ccccc2CO)c1 ZINC000843070600 702813071 /nfs/dbraw/zinc/81/30/71/702813071.db2.gz VSRDXSDCZPKWGP-MRXNPFEDSA-N 0 3 302.330 1.910 20 5 DDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CCN[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000843473193 702888765 /nfs/dbraw/zinc/88/87/65/702888765.db2.gz IOAHMRQRIDDVGI-VHSXEESVSA-N 0 3 322.321 1.634 20 5 DDBDHN CC([C@H](OC(=O)CCc1nnc[nH]1)c1ccccc1F)[N+](=O)[O-] ZINC000845873863 703211292 /nfs/dbraw/zinc/21/12/92/703211292.db2.gz DZPWRQWGLAJCNS-XPTSAGLGSA-N 0 3 322.296 1.826 20 5 DDBDHN CC[C@@H](C(=O)OCC(C)[N+](=O)[O-])N(C)C(=O)OC(C)(C)C ZINC000851037034 703774825 /nfs/dbraw/zinc/77/48/25/703774825.db2.gz PRJUELBHVOTJTF-UWVGGRQHSA-N 0 3 304.343 1.840 20 5 DDBDHN COC(=O)c1ccnc(NCCN2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000856733289 704535869 /nfs/dbraw/zinc/53/58/69/704535869.db2.gz WCRYVEJSIIWMFC-JTQLQIEISA-N 0 3 308.338 1.673 20 5 DDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000874837365 705193744 /nfs/dbraw/zinc/19/37/44/705193744.db2.gz IGUMGLORBWHUKB-OLZOCXBDSA-N 0 3 321.381 1.222 20 5 DDBDHN CCC(C)(C)N1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000824291855 705419520 /nfs/dbraw/zinc/41/95/20/705419520.db2.gz JPWCTIZNHYOORP-UHFFFAOYSA-N 0 3 323.397 1.433 20 5 DDBDHN CO[C@H]1CN(C)[C@](C)(COC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000861338951 705433150 /nfs/dbraw/zinc/43/31/50/705433150.db2.gz KMKMRHBCANVRCQ-HIFRSBDPSA-N 0 3 308.334 1.861 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827035609 705915932 /nfs/dbraw/zinc/91/59/32/705915932.db2.gz RPHTYFSOPSWULA-WKPIXPDZSA-N 0 3 319.361 1.227 20 5 DDBDHN Cn1ccc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000877125663 705991291 /nfs/dbraw/zinc/99/12/91/705991291.db2.gz RWBQQNXDYRHMLH-UHFFFAOYSA-N 0 3 316.365 1.482 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000830015878 706438013 /nfs/dbraw/zinc/43/80/13/706438013.db2.gz GFDYBIMLQOTUNX-OTYXRUKQSA-N 0 3 307.325 1.946 20 5 DDBDHN CC(COC(=O)c1ccc(S(=O)(=O)C2CC2)cc1)[N+](=O)[O-] ZINC000835454471 707255353 /nfs/dbraw/zinc/25/53/53/707255353.db2.gz KAMQGJKMEPKKDZ-VIFPVBQESA-N 0 3 313.331 1.445 20 5 DDBDHN Cc1cccc(N2CC[C@@H]3[C@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC000897220931 708258654 /nfs/dbraw/zinc/25/86/54/708258654.db2.gz ZSKMHWBJKIKQDQ-ZIAGYGMSSA-N 0 3 305.378 1.939 20 5 DDBDHN Cc1cnc(N2CC[C@H]3[C@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC000897221610 708259279 /nfs/dbraw/zinc/25/92/79/708259279.db2.gz NSDXAKLRZJVJLE-QWHCGFSZSA-N 0 3 306.366 1.334 20 5 DDBDHN CN(CCO)CCNc1cccc(Br)c1[N+](=O)[O-] ZINC000884825366 708388086 /nfs/dbraw/zinc/38/80/86/708388086.db2.gz SEMOTFPKLJLFKR-UHFFFAOYSA-N 0 3 318.171 1.693 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CCN(C)CCO ZINC000912598860 713041915 /nfs/dbraw/zinc/04/19/15/713041915.db2.gz IKBZIENLKVJRRQ-UHFFFAOYSA-N 0 3 309.366 1.208 20 5 DDBDHN C[C@@H](C(=O)N(C)CCN(C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000912604634 713044472 /nfs/dbraw/zinc/04/44/72/713044472.db2.gz LZFASAJDFLGSFM-GFCCVEGCSA-N 0 3 309.366 1.081 20 5 DDBDHN O=[N+]([O-])c1ncccc1CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000886188161 708711997 /nfs/dbraw/zinc/71/19/97/708711997.db2.gz MENSLUBVGYBHGT-OAHLLOKOSA-N 0 3 320.393 1.677 20 5 DDBDHN COc1ccc(CN[C@@H](CO)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000886226912 708719607 /nfs/dbraw/zinc/71/96/07/708719607.db2.gz TWOYEDMONJSYHR-OLZOCXBDSA-N 0 3 310.350 1.623 20 5 DDBDHN COc1c(O)ccc(CN2CCN(C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000893669906 710770682 /nfs/dbraw/zinc/77/06/82/710770682.db2.gz XCLBNAQVRRRBRM-GHMZBOCLSA-N 0 3 309.366 1.833 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCCC1CS(=O)(=O)C1 ZINC000893934639 710891745 /nfs/dbraw/zinc/89/17/45/710891745.db2.gz JKXLZNGPOXIUCE-UHFFFAOYSA-N 0 3 318.782 1.773 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000893939081 710893046 /nfs/dbraw/zinc/89/30/46/710893046.db2.gz HFDVBUMDOKJOLS-NHYWBVRUSA-N 0 3 316.361 1.620 20 5 DDBDHN CC[C@@H]1[C@H](CO)CCN1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894686700 711238217 /nfs/dbraw/zinc/23/82/17/711238217.db2.gz ARUBDDFGDXGKMP-NWDGAFQWSA-N 0 3 310.350 1.902 20 5 DDBDHN Cc1ccc(CN[C@H](C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000895832359 711620122 /nfs/dbraw/zinc/62/01/22/711620122.db2.gz GFCAZYUHWCIHIK-YPMHNXCESA-N 0 3 312.391 1.816 20 5 DDBDHN COC(=O)COc1ccc(CN(C)CCCF)cc1[N+](=O)[O-] ZINC000895895729 711639757 /nfs/dbraw/zinc/63/97/57/711639757.db2.gz DTUYSNHDZXTGJE-UHFFFAOYSA-N 0 3 314.313 1.938 20 5 DDBDHN COCCN(C)CCNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000916330400 713451276 /nfs/dbraw/zinc/45/12/76/713451276.db2.gz IBLYQISFLGZYIM-GFCCVEGCSA-N 0 3 324.381 1.533 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000921681049 713841282 /nfs/dbraw/zinc/84/12/82/713841282.db2.gz PPKIZLWIFJQNTH-RISCZKNCSA-N 0 3 306.366 1.529 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCNCc2cnn(CCF)c2)cc1 ZINC000921722051 713854014 /nfs/dbraw/zinc/85/40/14/713854014.db2.gz PNFBPIKABOBRNU-UHFFFAOYSA-N 0 3 308.313 1.929 20 5 DDBDHN Cn1nnc2c1C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000922994822 714207410 /nfs/dbraw/zinc/20/74/10/714207410.db2.gz SQTVJXUTSAYQAW-JTQLQIEISA-N 0 3 305.313 1.510 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)c1[N+](=O)[O-] ZINC000923278981 714295259 /nfs/dbraw/zinc/29/52/59/714295259.db2.gz ZLXCUFZLTLQXQN-MNOVXSKESA-N 0 3 321.381 1.750 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)c1[N+](=O)[O-] ZINC000923278981 714295260 /nfs/dbraw/zinc/29/52/60/714295260.db2.gz ZLXCUFZLTLQXQN-MNOVXSKESA-N 0 3 321.381 1.750 20 5 DDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000923294162 714299921 /nfs/dbraw/zinc/29/99/21/714299921.db2.gz DJELCRGRRWTWEU-NWDGAFQWSA-N 0 3 321.381 1.222 20 5 DDBDHN C[C@@H]1COC[C@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000932493552 714345823 /nfs/dbraw/zinc/34/58/23/714345823.db2.gz HUTLBEAXRAVMAU-LDYMZIIASA-N 0 3 313.741 1.811 20 5 DDBDHN CCN(CCO)CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935429755 715053183 /nfs/dbraw/zinc/05/31/83/715053183.db2.gz FJEUQCISPZCDKZ-LSDHHAIUSA-N 0 3 321.377 1.129 20 5 DDBDHN Cc1ncoc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125317766 732715838 /nfs/dbraw/zinc/71/58/38/732715838.db2.gz XWKKFSQKEPOZQD-UHFFFAOYSA-N 0 3 304.306 1.411 20 5 DDBDHN Cc1ccn(C)c1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126256222 738777583 /nfs/dbraw/zinc/77/75/83/738777583.db2.gz YAUBQWVATRGMGN-UHFFFAOYSA-N 0 3 316.361 1.761 20 5 DDBDHN COCC1(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)CC1 ZINC001126978873 743456953 /nfs/dbraw/zinc/45/69/53/743456953.db2.gz CLIMGDYRAWVAPP-UHFFFAOYSA-N 0 3 321.377 1.617 20 5 DDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(Cc3cccnc3)CC2)C1 ZINC001169009701 762178027 /nfs/dbraw/zinc/17/80/27/762178027.db2.gz XHNXMEIAZKBSRF-ZBFHGGJFSA-N 0 3 304.394 1.645 20 5 DDBDHN COc1cc([N+](=O)[O-])cnc1N1CCCc2ccc(CN)nc21 ZINC001169583091 762543509 /nfs/dbraw/zinc/54/35/09/762543509.db2.gz DDWQTMPBZSDWDV-UHFFFAOYSA-N 0 3 315.333 1.936 20 5 DDBDHN O=C(COCC(F)F)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001131765883 768354114 /nfs/dbraw/zinc/35/41/14/768354114.db2.gz PIHAYXCVUIHKCH-UHFFFAOYSA-N 0 3 317.292 1.082 20 5 DDBDHN COc1ccc(C[C@@H](C)NCCS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC001170298948 766227640 /nfs/dbraw/zinc/22/76/40/766227640.db2.gz OOHFDKHDBYKVNS-SNVBAGLBSA-N 0 3 316.379 1.169 20 5 DDBDHN COc1ccc(C[C@H](C)N2CCN3CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170355643 766261633 /nfs/dbraw/zinc/26/16/33/766261633.db2.gz NNVKFSAQQBSHDU-GXTWGEPZSA-N 0 3 305.378 1.924 20 5 DDBDHN Cc1nocc1CN1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001045436970 766306283 /nfs/dbraw/zinc/30/62/83/766306283.db2.gz ZMZLCVRDSFHMMM-CHWSQXEVSA-N 0 3 322.365 1.119 20 5 DDBDHN CCC(=O)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001048630866 769594149 /nfs/dbraw/zinc/59/41/49/769594149.db2.gz UMEZVGIKZSEHKC-OKILXGFUSA-N 0 3 303.362 1.895 20 5 DDBDHN COC(=O)[C@H]1[C@@H]2CN([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC001173235751 777065028 /nfs/dbraw/zinc/06/50/28/777065028.db2.gz ZBICMRKMGHMXAD-BSLXNSKLSA-N 0 3 304.346 1.877 20 5 DDBDHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)CC(C)(C)O ZINC001268447852 840202394 /nfs/dbraw/zinc/20/23/94/840202394.db2.gz IOKGDCWLLKOATD-UHFFFAOYSA-N 0 3 323.393 1.694 20 5 DDBDHN CC(C)(C)N1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC001327956772 862593037 /nfs/dbraw/zinc/59/30/37/862593037.db2.gz JVUQGJVUMLBYBR-UHFFFAOYSA-N 0 3 306.366 1.614 20 5 DDBDHN CCn1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)cn1 ZINC001125010396 859870071 /nfs/dbraw/zinc/87/00/71/859870071.db2.gz CITGMWVKDWBWRK-UHFFFAOYSA-N 0 3 317.349 1.331 20 5 DDBDHN Cc1ccc(C(=O)N2CC(N[C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC001157006437 863515348 /nfs/dbraw/zinc/51/53/48/863515348.db2.gz NBEHIKKQFKHCNF-GFCCVEGCSA-N 0 3 305.334 1.106 20 5 DDBDHN NCc1cnnn1-c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001158428189 864648474 /nfs/dbraw/zinc/64/84/74/864648474.db2.gz QHMNKPCTZJNLHP-UHFFFAOYSA-N 0 3 315.268 1.230 20 5 DDBDHN COC[C@@]1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCCCN1 ZINC001331691564 865248063 /nfs/dbraw/zinc/24/80/63/865248063.db2.gz HSTUIDUZGZNANB-MRXNPFEDSA-N 0 3 319.361 1.596 20 5 DDBDHN COc1ccc([N+](=O)[O-])nc1NCCCN1CCN(C)CC1 ZINC001161706510 866914699 /nfs/dbraw/zinc/91/46/99/866914699.db2.gz ZUQNZPSQOXVGFN-UHFFFAOYSA-N 0 3 309.370 1.048 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])cnc1N[C@]1(C)CCCN(C)C1 ZINC001162341320 867474587 /nfs/dbraw/zinc/47/45/87/867474587.db2.gz KLEAAZHIFNNZKH-CQSZACIVSA-N 0 3 308.338 1.673 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1N1CCN(CC2CCOCC2)CC1 ZINC001322501286 868206608 /nfs/dbraw/zinc/20/66/08/868206608.db2.gz MTVIDFWEFBEFCG-UHFFFAOYSA-N 0 3 320.393 1.847 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCCN1C ZINC001338020098 869748408 /nfs/dbraw/zinc/74/84/08/869748408.db2.gz BARXBUBEQMJWOE-GFCCVEGCSA-N 0 3 306.366 1.851 20 5 DDBDHN CN(CCO)CCN(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001301548910 871001408 /nfs/dbraw/zinc/00/14/08/871001408.db2.gz VRCWTQWLDAOXLO-UHFFFAOYSA-N 0 3 320.349 1.072 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@H](C)CN[C@@H](C)[C@H]1C ZINC001344845981 873143014 /nfs/dbraw/zinc/14/30/14/873143014.db2.gz HRYNSSNXOUBUDQ-OUAUKWLOSA-N 0 3 309.370 1.087 20 5 DDBDHN O=C(Nc1cc2cccnc2c2ncccc12)[C@@H]1CNCCN1 ZINC001218980169 877851851 /nfs/dbraw/zinc/85/18/51/877851851.db2.gz VHTXEQBHJSZFNO-AWEZNQCLSA-N 0 3 307.357 1.283 20 5 DDBDHN COC(=O)c1ccc(CO[C@H]2CN3CCC2CC3)c([N+](=O)[O-])c1 ZINC001223413993 880951799 /nfs/dbraw/zinc/95/17/99/880951799.db2.gz SGSRFAHVIAYXIX-HNNXBMFYSA-N 0 3 320.345 1.992 20 5 DDBDHN CN(CCCNC(=O)c1cocn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001235717267 888911319 /nfs/dbraw/zinc/91/13/19/888911319.db2.gz ZRHOHUUMYPPRHG-UHFFFAOYSA-N 0 3 318.333 1.835 20 5 DDBDHN CN1CCCC[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001262653034 900286718 /nfs/dbraw/zinc/28/67/18/900286718.db2.gz XHKBYSXPPAIUHU-LBPRGKRZSA-N 0 3 306.366 1.607 20 5 DDBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001263202031 900530703 /nfs/dbraw/zinc/53/07/03/900530703.db2.gz QGIIAOGPNKBQOE-SDDRHHMPSA-N 0 3 307.350 1.571 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CC(N[C@H]3CCOC3)C2)c2ncccc12 ZINC001307216887 916580093 /nfs/dbraw/zinc/58/00/93/916580093.db2.gz AXWGHMLFFGCBSE-NSHDSACASA-N 0 3 314.345 1.710 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCOC1(C)C ZINC000451239991 231042982 /nfs/dbraw/zinc/04/29/82/231042982.db2.gz GFKIRIIIBBGTHD-LBPRGKRZSA-N 0 3 307.350 1.999 20 5 DDBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCCN1CCO ZINC000452390050 231374990 /nfs/dbraw/zinc/37/49/90/231374990.db2.gz NLVLBCCDCHXJHM-AWEZNQCLSA-N 0 3 321.377 1.100 20 5 DDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCCN1CCO ZINC000452390478 231375347 /nfs/dbraw/zinc/37/53/47/231375347.db2.gz OFHNHNCEUUGBNP-OAHLLOKOSA-N 0 3 321.377 1.100 20 5 DDBDHN COC[C@H](C)OC[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000278215846 214028297 /nfs/dbraw/zinc/02/82/97/214028297.db2.gz DMUSHDAZGROOJD-ZOWXZIJZSA-N 0 3 312.366 1.658 20 5 DDBDHN CC1(C)CN(CCOc2cccc([N+](=O)[O-])c2)CCN1CCO ZINC000614920830 362077840 /nfs/dbraw/zinc/07/78/40/362077840.db2.gz SGAUKADFQRYYOL-UHFFFAOYSA-N 0 3 323.393 1.362 20 5 DDBDHN CN(C(=O)CN[C@@H](CCO)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000181465313 199301108 /nfs/dbraw/zinc/30/11/08/199301108.db2.gz UEORIJZRNZKCQL-AWEZNQCLSA-N 0 3 323.393 1.944 20 5 DDBDHN O=C(CCN1CC[C@@H](CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181714380 199343100 /nfs/dbraw/zinc/34/31/00/199343100.db2.gz UZOPDBGNQQNURZ-SNVBAGLBSA-N 0 3 311.313 1.377 20 5 DDBDHN CC[C@]1(NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000616865550 362851423 /nfs/dbraw/zinc/85/14/23/362851423.db2.gz VHXURQHIZKKVEF-HNNXBMFYSA-N 0 3 307.350 1.716 20 5 DDBDHN CC[C@H]1CCCCN1CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000172041317 198030734 /nfs/dbraw/zinc/03/07/34/198030734.db2.gz UTQRTFHLXYIGHF-LBPRGKRZSA-N 0 3 309.370 1.172 20 5 DDBDHN COCCN(C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000054353646 352688313 /nfs/dbraw/zinc/68/83/13/352688313.db2.gz LIRPOCMCAOPIQF-UHFFFAOYSA-N 0 3 311.338 1.510 20 5 DDBDHN COc1ccc(C(=O)NC[C@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000057719404 352825821 /nfs/dbraw/zinc/82/58/21/352825821.db2.gz FXRFCIXWYWMHHG-JTQLQIEISA-N 0 3 307.350 1.816 20 5 DDBDHN COc1cc(OCC(=O)NC[C@@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000068856143 353133291 /nfs/dbraw/zinc/13/32/91/353133291.db2.gz QAVSYFGPSJAYKL-SNVBAGLBSA-N 0 3 311.338 1.049 20 5 DDBDHN CC(C)NC(=O)c1ccc(N2CCCN(C)CC2)c([N+](=O)[O-])c1 ZINC000073868125 353275089 /nfs/dbraw/zinc/27/50/89/353275089.db2.gz SUBJRKXUXJJKSM-UHFFFAOYSA-N 0 3 320.393 1.875 20 5 DDBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)COc1ccccc1[N+](=O)[O-])C2 ZINC000174691159 198371120 /nfs/dbraw/zinc/37/11/20/198371120.db2.gz ZGXWAMBNGHPILU-QWHCGFSZSA-N 0 3 319.361 1.669 20 5 DDBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(c2nnc[nH]2)CC1 ZINC000083446099 353710716 /nfs/dbraw/zinc/71/07/16/353710716.db2.gz YYFAEQKMADVBOF-UHFFFAOYSA-N 0 3 317.349 1.971 20 5 DDBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(c2nc[nH]n2)CC1 ZINC000083446099 353710722 /nfs/dbraw/zinc/71/07/22/353710722.db2.gz YYFAEQKMADVBOF-UHFFFAOYSA-N 0 3 317.349 1.971 20 5 DDBDHN CC[C@H](CO)N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093739810 353904817 /nfs/dbraw/zinc/90/48/17/353904817.db2.gz GHIUXUQVNRVYPE-BIENSFFJSA-N 0 3 319.405 1.997 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1CN(C)C ZINC000277075757 213276580 /nfs/dbraw/zinc/27/65/80/213276580.db2.gz KBQAEQJZXXIINV-LBPRGKRZSA-N 0 3 307.350 1.770 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000277039162 213257261 /nfs/dbraw/zinc/25/72/61/213257261.db2.gz HBIMQNHJZWFVRB-FZMZJTMJSA-N 0 3 319.361 1.770 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)CNC2 ZINC000318151159 354514434 /nfs/dbraw/zinc/51/44/34/354514434.db2.gz QHIJBKANNFSZHH-UHFFFAOYSA-N 0 3 300.318 1.467 20 5 DDBDHN C[C@H](CN(C)C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000346231979 283035575 /nfs/dbraw/zinc/03/55/75/283035575.db2.gz USFLSFAUJMNCCJ-LLVKDONJSA-N 0 3 317.349 1.460 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](CO)CN(C)C ZINC000588866932 354944361 /nfs/dbraw/zinc/94/43/61/354944361.db2.gz TWVVUYQWMKRYEX-LBPRGKRZSA-N 0 3 309.366 1.172 20 5 DDBDHN CN1C[C@@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC000590012854 355041558 /nfs/dbraw/zinc/04/15/58/355041558.db2.gz ZWWMMEGCKZHOJH-IINYFYTJSA-N 0 3 301.350 1.607 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)C[C@H]2CCCN2C)c1 ZINC000591505415 355322287 /nfs/dbraw/zinc/32/22/87/355322287.db2.gz HWYJHODJVYIEAQ-CQSZACIVSA-N 0 3 321.377 1.907 20 5 DDBDHN CC[C@H](NCC(=O)N1CCNCC1)c1cccc([N+](=O)[O-])c1 ZINC000591577146 355329752 /nfs/dbraw/zinc/32/97/52/355329752.db2.gz OWJFMMLSAVSBER-AWEZNQCLSA-N 0 3 306.366 1.067 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C)C[C@H]1CN ZINC000591299008 355283539 /nfs/dbraw/zinc/28/35/39/355283539.db2.gz XDUBGTMBCVBFAB-GFCCVEGCSA-N 0 3 307.354 1.010 20 5 DDBDHN CC1(C)CNCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000591678394 355359860 /nfs/dbraw/zinc/35/98/60/355359860.db2.gz SNLUDYLFYYOOCI-UHFFFAOYSA-N 0 3 309.391 1.897 20 5 DDBDHN CCc1ccc(S(=O)(=O)NCCNC2CC2)cc1[N+](=O)[O-] ZINC000592367160 355568427 /nfs/dbraw/zinc/56/84/27/355568427.db2.gz WTIBOYGKOPKKIJ-UHFFFAOYSA-N 0 3 313.379 1.188 20 5 DDBDHN NC[C@@H]1c2ccccc2CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000592567236 355631212 /nfs/dbraw/zinc/63/12/12/355631212.db2.gz IREBEEUXBHQNRQ-CQSZACIVSA-N 0 3 300.318 1.621 20 5 DDBDHN CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593071885 355787548 /nfs/dbraw/zinc/78/75/48/355787548.db2.gz VMYXVCQUPFIUKS-ZIAGYGMSSA-N 0 3 324.377 1.835 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000593588732 355935397 /nfs/dbraw/zinc/93/53/97/355935397.db2.gz LXBKQCNUTCIOFL-XHDPSFHLSA-N 0 3 321.352 1.829 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CC(=O)N(CC)C1 ZINC000593691101 355968844 /nfs/dbraw/zinc/96/88/44/355968844.db2.gz ZREMJGTXEWJMGI-LBPRGKRZSA-N 0 3 321.377 1.952 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCCC[C@@H]2CO)c1 ZINC000594014450 356086963 /nfs/dbraw/zinc/08/69/63/356086963.db2.gz DSXLYSZZRUDDDH-CABCVRRESA-N 0 3 324.377 1.571 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594027793 356093795 /nfs/dbraw/zinc/09/37/95/356093795.db2.gz ZVFYKPXMTXZKLD-UKRRQHHQSA-N 0 3 324.381 1.186 20 5 DDBDHN C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000594503445 356238419 /nfs/dbraw/zinc/23/84/19/356238419.db2.gz WPPDNACTMDYSLI-HZUKXOBISA-N 0 3 305.378 1.891 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@@H]([NH3+])C(C)C ZINC000595121322 356386043 /nfs/dbraw/zinc/38/60/43/356386043.db2.gz OLVDZLPKCMJISQ-LLVKDONJSA-N 0 3 315.395 1.555 20 5 DDBDHN N[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[C@H]1F ZINC000595261373 356424465 /nfs/dbraw/zinc/42/44/65/356424465.db2.gz YEGBGWRLDIDGKC-VXGBXAGGSA-N 0 3 318.308 1.654 20 5 DDBDHN N[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1F ZINC000595261159 356424684 /nfs/dbraw/zinc/42/46/84/356424684.db2.gz TYYHUZACIHRWSQ-VXGBXAGGSA-N 0 3 315.732 1.688 20 5 DDBDHN CC(C)(CO)[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cccnc1 ZINC000595502606 356521776 /nfs/dbraw/zinc/52/17/76/356521776.db2.gz ZZGGZKJJCWENSP-CQSZACIVSA-N 0 3 319.365 1.536 20 5 DDBDHN COC[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(OC)c1 ZINC000595684854 356610021 /nfs/dbraw/zinc/61/00/21/356610021.db2.gz QVRZXNNEQHJNCW-AWEZNQCLSA-N 0 3 320.349 1.777 20 5 DDBDHN CN(CC1=CCCOC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595753717 356637760 /nfs/dbraw/zinc/63/77/60/356637760.db2.gz SSAOVNHCALRLBL-HNNXBMFYSA-N 0 3 322.361 1.613 20 5 DDBDHN C[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000595783354 356650907 /nfs/dbraw/zinc/65/09/07/356650907.db2.gz MWDYWEXGRXMKMX-IPYPFGDCSA-N 0 3 324.377 1.834 20 5 DDBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)C1(NC2CC2)CCC1 ZINC000595922799 356705763 /nfs/dbraw/zinc/70/57/63/356705763.db2.gz LBMRLQMEIVFJEK-UHFFFAOYSA-N 0 3 318.377 1.798 20 5 DDBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])C1(NC2CC2)CCC1 ZINC000595923498 356706193 /nfs/dbraw/zinc/70/61/93/356706193.db2.gz XONRWOLWXMRWMS-UHFFFAOYSA-N 0 3 318.377 1.798 20 5 DDBDHN CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H]1CCN(C2CC2)C1 ZINC000596119882 356780298 /nfs/dbraw/zinc/78/02/98/356780298.db2.gz DMEBYVKOUUGEAA-GFCCVEGCSA-N 0 3 304.350 1.367 20 5 DDBDHN CCn1nccc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000596071494 356762172 /nfs/dbraw/zinc/76/21/72/356762172.db2.gz ZYPFDRDLNKZUIF-CYBMUJFWSA-N 0 3 320.349 1.341 20 5 DDBDHN COc1cc(N2C[C@H](O)[C@@H](N(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596242032 356829869 /nfs/dbraw/zinc/82/98/69/356829869.db2.gz OBCUGDCSCBONNO-RYUDHWBXSA-N 0 3 315.757 1.368 20 5 DDBDHN O=[N+]([O-])c1cnccc1N1CCC(N2CCCOCC2)CC1 ZINC000596269020 356838878 /nfs/dbraw/zinc/83/88/78/356838878.db2.gz QRJIXNGUGVJQPR-UHFFFAOYSA-N 0 3 306.366 1.681 20 5 DDBDHN Cc1ccc(CN(CCN(C)C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000597204085 357091743 /nfs/dbraw/zinc/09/17/43/357091743.db2.gz DESSTNIOUZKVIW-UHFFFAOYSA-N 0 3 322.409 1.355 20 5 DDBDHN CN(C)[C@@H](CNC(=O)Cn1nccc1[N+](=O)[O-])c1ccccc1 ZINC000178465827 198872436 /nfs/dbraw/zinc/87/24/36/198872436.db2.gz FIKPPDINAWUWIB-ZDUSSCGKSA-N 0 3 317.349 1.210 20 5 DDBDHN CC[C@@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@H](C)N1 ZINC000598531248 357623002 /nfs/dbraw/zinc/62/30/02/357623002.db2.gz GPRHMMCQFKNRAZ-GXSJLCMTSA-N 0 3 321.333 1.536 20 5 DDBDHN CC(C)[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCN1 ZINC000598574752 357637838 /nfs/dbraw/zinc/63/78/38/357637838.db2.gz SXOKGDHNVXEBFJ-NSHDSACASA-N 0 3 310.329 1.386 20 5 DDBDHN COc1ccc(F)c(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000598729997 357706914 /nfs/dbraw/zinc/70/69/14/357706914.db2.gz QKKTWAMTRUECPC-GFCCVEGCSA-N 0 3 324.312 1.090 20 5 DDBDHN O=[N+]([O-])c1cc2c(ncnc2NCCN2CC[C@@H](O)C2)s1 ZINC000599175671 357840408 /nfs/dbraw/zinc/84/04/08/357840408.db2.gz HJORLFBIMJVBEM-MRVPVSSYSA-N 0 3 309.351 1.078 20 5 DDBDHN COC(=O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@@H]21 ZINC000599659045 358012639 /nfs/dbraw/zinc/01/26/39/358012639.db2.gz OAXNDBFFFKBLNB-MGPQQGTHSA-N 0 3 322.365 1.455 20 5 DDBDHN COc1ccc([C@@H](NCCn2ccc([N+](=O)[O-])n2)C2CC2)cn1 ZINC000599697936 358030707 /nfs/dbraw/zinc/03/07/07/358030707.db2.gz IYVYZHGQXWBIIU-HNNXBMFYSA-N 0 3 317.349 1.936 20 5 DDBDHN Cc1nn(C)c(C(=O)NC[C@@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000600469400 358232542 /nfs/dbraw/zinc/23/25/42/358232542.db2.gz AOGPSJJDHMVSDC-LBPRGKRZSA-N 0 3 321.381 1.383 20 5 DDBDHN CCc1n[nH]c(C(=O)NC[C@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000600474539 358234694 /nfs/dbraw/zinc/23/46/94/358234694.db2.gz XZYSGZMTLAOBHS-LLVKDONJSA-N 0 3 321.381 1.627 20 5 DDBDHN COCCN(C)CCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600996141 358375121 /nfs/dbraw/zinc/37/51/21/358375121.db2.gz VJVCZFZCXHJOQT-UHFFFAOYSA-N 0 3 313.329 1.432 20 5 DDBDHN COC[C@]1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCCCN1 ZINC000602457695 358990463 /nfs/dbraw/zinc/99/04/63/358990463.db2.gz IWBMAJJQGIRQKM-INIZCTEOSA-N 0 3 321.377 1.412 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCCO)Cc1ccccc1 ZINC000602786882 359191835 /nfs/dbraw/zinc/19/18/35/359191835.db2.gz WXGBYJRVEXDKJM-UHFFFAOYSA-N 0 3 318.377 1.984 20 5 DDBDHN C[C@@H]1CC[C@H](NCCc2ccc([N+](=O)[O-])cc2)CS1(=O)=O ZINC000602712511 359142594 /nfs/dbraw/zinc/14/25/94/359142594.db2.gz YWZKBMQYHYJFBD-YPMHNXCESA-N 0 3 312.391 1.693 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000602796358 359197876 /nfs/dbraw/zinc/19/78/76/359197876.db2.gz XYGKEKWNTWIWQV-GFCCVEGCSA-N 0 3 304.354 1.702 20 5 DDBDHN CC(=O)NCC[C@@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602831816 359223905 /nfs/dbraw/zinc/22/39/05/359223905.db2.gz IFZYVOBZDNMMJN-AWEZNQCLSA-N 0 3 323.397 1.338 20 5 DDBDHN Cc1c(CC(=O)N(C)CCN(C)C2CC2)cccc1[N+](=O)[O-] ZINC000186805236 200014032 /nfs/dbraw/zinc/01/40/32/200014032.db2.gz BFAONSLHBRFTNQ-UHFFFAOYSA-N 0 3 305.378 1.998 20 5 DDBDHN CN(CCCN(C)c1c([N+](=O)[O-])ncn1C)Cc1ccncc1 ZINC000603399712 359616591 /nfs/dbraw/zinc/61/65/91/359616591.db2.gz IGMKTBKMIAUKHV-UHFFFAOYSA-N 0 3 318.381 1.682 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2ccncc2)CC1 ZINC000604514756 359758996 /nfs/dbraw/zinc/75/89/96/359758996.db2.gz COAGOGNKHDZMDI-UHFFFAOYSA-N 0 3 302.290 1.545 20 5 DDBDHN Cc1ccc([C@@H](C)NC(=O)CNC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000237606665 202300479 /nfs/dbraw/zinc/30/04/79/202300479.db2.gz PYRVEXMZSZAJQT-OCCSQVGLSA-N 0 3 321.377 1.849 20 5 DDBDHN CN1CCC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000609257614 360277204 /nfs/dbraw/zinc/27/72/04/360277204.db2.gz DPMJWPHMXFGZLZ-SNVBAGLBSA-N 0 3 302.334 1.900 20 5 DDBDHN CCN1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000609283848 360286558 /nfs/dbraw/zinc/28/65/58/360286558.db2.gz FREMKTLZMUTXFV-DZGCQCFKSA-N 0 3 323.393 1.361 20 5 DDBDHN Cc1cc(N2CCCN(C[C@@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC000610489195 360449398 /nfs/dbraw/zinc/44/93/98/360449398.db2.gz LSBXRSSWQOHHQG-AWEZNQCLSA-N 0 3 320.393 1.989 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000610654058 360492036 /nfs/dbraw/zinc/49/20/36/360492036.db2.gz GVVMHBIWPJJXLJ-WDEREUQCSA-N 0 3 321.381 1.268 20 5 DDBDHN Cc1ccccc1OC[C@@H](O)CNCCn1cc([N+](=O)[O-])cn1 ZINC000566115189 304119980 /nfs/dbraw/zinc/11/99/80/304119980.db2.gz ONHXOAHZHTTZQQ-AWEZNQCLSA-N 0 3 320.349 1.129 20 5 DDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000288184243 220003807 /nfs/dbraw/zinc/00/38/07/220003807.db2.gz BSBPXEHBEWNVLH-DGCLKSJQSA-N 0 3 318.377 1.876 20 5 DDBDHN C[C@H](NC(=O)[C@H](N)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000261899314 203147042 /nfs/dbraw/zinc/14/70/42/203147042.db2.gz WJRBMFGKOJNNGF-IINYFYTJSA-N 0 3 307.350 1.526 20 5 DDBDHN CCCc1n[nH]c(C(=O)NCCN2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000264641015 204046357 /nfs/dbraw/zinc/04/63/57/204046357.db2.gz BWPBBGBLWYNIBY-LLVKDONJSA-N 0 3 323.397 1.875 20 5 DDBDHN CCN(C)CCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000183120794 284338093 /nfs/dbraw/zinc/33/80/93/284338093.db2.gz URVOVVWSZFOTNM-CQSZACIVSA-N 0 3 320.349 1.156 20 5 DDBDHN Cc1cc(C(=O)N[C@@H](CO)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000288403080 220135892 /nfs/dbraw/zinc/13/58/92/220135892.db2.gz GEEBCGYZTIHARJ-CQSZACIVSA-N 0 3 321.377 1.480 20 5 DDBDHN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000274117924 211370776 /nfs/dbraw/zinc/37/07/76/211370776.db2.gz WPBHUJDBUXUFCO-VXGBXAGGSA-N 0 3 307.350 1.572 20 5 DDBDHN COc1ccc(NC(=O)CN[C@@H](C)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000274084196 211339315 /nfs/dbraw/zinc/33/93/15/211339315.db2.gz SOMHRNSMYCITHP-ZJUUUORDSA-N 0 3 311.338 1.148 20 5 DDBDHN CC(C)N1C[C@@H](N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000285057020 218272624 /nfs/dbraw/zinc/27/26/24/218272624.db2.gz IRPGCLITZKDWPO-PWSUYJOCSA-N 0 3 306.366 1.837 20 5 DDBDHN CC(C)CN(CCCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000055901332 184000025 /nfs/dbraw/zinc/00/00/25/184000025.db2.gz UTOKOSYSVPEPJY-UHFFFAOYSA-N 0 3 309.366 1.807 20 5 DDBDHN COc1ccc(CNC[C@](C)(O)CSC)cc1[N+](=O)[O-] ZINC000120681897 195215392 /nfs/dbraw/zinc/21/53/92/195215392.db2.gz DJHPSUVAKKRVOC-ZDUSSCGKSA-N 0 3 300.380 1.807 20 5 DDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000420345335 533328010 /nfs/dbraw/zinc/32/80/10/533328010.db2.gz AOHISBLMTHLHHP-FPMFFAJLSA-N 0 3 318.377 1.748 20 5 DDBDHN COc1ccc(CNC(=O)N2CCN[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000417175999 533603140 /nfs/dbraw/zinc/60/31/40/533603140.db2.gz BRVNSOIQOAPCKG-QWRGUYRKSA-N 0 3 322.365 1.495 20 5 DDBDHN COC(=O)COc1ccc(CNCC2(C)COC2)cc1[N+](=O)[O-] ZINC000353762371 285913632 /nfs/dbraw/zinc/91/36/32/285913632.db2.gz FYTSDPGYLRUJNH-UHFFFAOYSA-N 0 3 324.333 1.273 20 5 DDBDHN CCN1CCN([C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000107370932 407373544 /nfs/dbraw/zinc/37/35/44/407373544.db2.gz MKRRVXYLENUTDP-KRWDZBQOSA-N 0 3 318.421 1.807 20 5 DDBDHN CCCCN(C)CCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000112309049 407425827 /nfs/dbraw/zinc/42/58/27/407425827.db2.gz ZOEVIOJFIARKTM-UHFFFAOYSA-N 0 3 311.386 1.338 20 5 DDBDHN COC[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000265762643 407441863 /nfs/dbraw/zinc/44/18/63/407441863.db2.gz HISXIZFDRNSJKR-JSGCOSHPSA-N 0 3 310.350 1.303 20 5 DDBDHN CCN(C)CCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000112925488 407449751 /nfs/dbraw/zinc/44/97/51/407449751.db2.gz YJXBVQLCWVEFKA-UHFFFAOYSA-N 0 3 311.338 1.294 20 5 DDBDHN CN(CCOc1ccccc1[N+](=O)[O-])CCc1cnccn1 ZINC000271321430 407635380 /nfs/dbraw/zinc/63/53/80/407635380.db2.gz JZIVBOGXNNYYMG-UHFFFAOYSA-N 0 3 302.334 1.938 20 5 DDBDHN CN(C)[C@]1(CNC(=O)c2ccccc2[N+](=O)[O-])CCSC1 ZINC000267141441 407763113 /nfs/dbraw/zinc/76/31/13/407763113.db2.gz UNDUKVWSAVUJNJ-AWEZNQCLSA-N 0 3 309.391 1.762 20 5 DDBDHN O=C(C[C@@H]1CSCCN1)NCCc1ccccc1[N+](=O)[O-] ZINC000238054570 407878275 /nfs/dbraw/zinc/87/82/75/407878275.db2.gz FFWXUYXMLMOUTR-GFCCVEGCSA-N 0 3 309.391 1.349 20 5 DDBDHN C[C@H]1C[C@H](N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])CCN1C ZINC000272570097 407988157 /nfs/dbraw/zinc/98/81/57/407988157.db2.gz CWQLOFHNJHPERV-WDEREUQCSA-N 0 3 306.366 1.732 20 5 DDBDHN CCO[C@H]1C[C@H](O)C12CCN(CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000174873075 407997752 /nfs/dbraw/zinc/99/77/52/407997752.db2.gz MSPHBJAGDIAIIL-KBPBESRZSA-N 0 3 324.381 1.043 20 5 DDBDHN C[C@@H](O)CN1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000189564091 408052857 /nfs/dbraw/zinc/05/28/57/408052857.db2.gz ICOIXYYZYNDWIM-ZIAGYGMSSA-N 0 3 323.393 1.361 20 5 DDBDHN O=C(NCCCN1CCC(O)CC1)c1ccc([N+](=O)[O-])s1 ZINC000136121623 408080145 /nfs/dbraw/zinc/08/01/45/408080145.db2.gz DFUIYDUWDAHYHJ-UHFFFAOYSA-N 0 3 313.379 1.233 20 5 DDBDHN COC[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273339198 408157313 /nfs/dbraw/zinc/15/73/13/408157313.db2.gz NIMCEMDYUYQEKH-CHWSQXEVSA-N 0 3 310.350 1.303 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN(CCCO)Cc2ccccc2)c1 ZINC000268950430 408218497 /nfs/dbraw/zinc/21/84/97/408218497.db2.gz FCFLEFSEHPCBDC-UHFFFAOYSA-N 0 3 304.350 1.676 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000269459847 408317509 /nfs/dbraw/zinc/31/75/09/408317509.db2.gz HMGNVBZGGJFJQY-ZJUUUORDSA-N 0 3 321.381 1.796 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](Oc3ccncc3)C2)n1 ZINC000131842679 162024292 /nfs/dbraw/zinc/02/42/92/162024292.db2.gz FXLFYXUYRUZSKX-CYBMUJFWSA-N 0 3 303.322 1.340 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CCN(C)CC1 ZINC000171222984 162209796 /nfs/dbraw/zinc/20/97/96/162209796.db2.gz RZAQCNUTVRIVQM-UHFFFAOYSA-N 0 3 307.350 1.770 20 5 DDBDHN COCCN1CC[C@@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000265389650 408632410 /nfs/dbraw/zinc/63/24/10/408632410.db2.gz BZDZHYNSFVCKOU-CYBMUJFWSA-N 0 3 322.365 1.745 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)[C@@H]1CCOC1 ZINC000163082011 408758652 /nfs/dbraw/zinc/75/86/52/408758652.db2.gz ZZURGYUHBOKZDX-VXGBXAGGSA-N 0 3 307.350 1.856 20 5 DDBDHN C[C@@H]1C[C@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])CCN1C ZINC000290863212 408845821 /nfs/dbraw/zinc/84/58/21/408845821.db2.gz YVJJQCLEYDRNKA-NXEZZACHSA-N 0 3 307.354 1.008 20 5 DDBDHN COC(=O)c1cc(C)nc(NC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000286010816 408907253 /nfs/dbraw/zinc/90/72/53/408907253.db2.gz FBCIESWTIFPTPW-UHFFFAOYSA-N 0 3 308.338 1.591 20 5 DDBDHN Cc1cc(OCC(=O)N(C)[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000281799351 408931217 /nfs/dbraw/zinc/93/12/17/408931217.db2.gz VGWZIRIIGSBSIT-CYBMUJFWSA-N 0 3 321.377 1.835 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCC2=CCN(C)CC2)n1 ZINC000286437483 408985246 /nfs/dbraw/zinc/98/52/46/408985246.db2.gz IMXBNNPPFLIENS-UHFFFAOYSA-N 0 3 306.322 1.450 20 5 DDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000286486069 408989270 /nfs/dbraw/zinc/98/92/70/408989270.db2.gz XAPCLNQTMAYVIB-PWSUYJOCSA-N 0 3 319.365 1.152 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000292151109 408990853 /nfs/dbraw/zinc/99/08/53/408990853.db2.gz ILODXHJZCBBUQR-INIZCTEOSA-N 0 3 319.361 1.771 20 5 DDBDHN CCOCC(C)(C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000293419276 409109810 /nfs/dbraw/zinc/10/98/10/409109810.db2.gz ZREKGXKGWIQYAI-UHFFFAOYSA-N 0 3 309.366 1.962 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000283855819 409229195 /nfs/dbraw/zinc/22/91/95/409229195.db2.gz HESCFZYGSJXSLF-LLVKDONJSA-N 0 3 307.350 1.770 20 5 DDBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H](CO)[C@@H]2CCOC2)c1 ZINC000280251348 409278012 /nfs/dbraw/zinc/27/80/12/409278012.db2.gz IXLWRYUFORINKF-ZYHUDNBSSA-N 0 3 314.769 1.983 20 5 DDBDHN Cc1cc(OCC(=O)NC[C@H](C)N(C)C2CC2)ccc1[N+](=O)[O-] ZINC000280628380 409384488 /nfs/dbraw/zinc/38/44/88/409384488.db2.gz UINXVKUASPUTQO-LBPRGKRZSA-N 0 3 321.377 1.881 20 5 DDBDHN CCc1nn(C)c(NC[C@@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000317844499 164028620 /nfs/dbraw/zinc/02/86/20/164028620.db2.gz YAJXIMXGAIDACF-GHMZBOCLSA-N 0 3 309.370 1.166 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCN(C)[C@@H](C)C2)n1 ZINC000319187109 164035317 /nfs/dbraw/zinc/03/53/17/164035317.db2.gz OSBAEQIEXGKSQB-VHSXEESVSA-N 0 3 308.338 1.671 20 5 DDBDHN CN(C)CCOCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000322952752 164047879 /nfs/dbraw/zinc/04/78/79/164047879.db2.gz DZZZSQPBYXEGBO-UHFFFAOYSA-N 0 3 322.365 1.470 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC2(CCO2)CC1 ZINC000374376926 164172595 /nfs/dbraw/zinc/17/25/95/164172595.db2.gz HHZVADFERPXCOA-CYBMUJFWSA-N 0 3 322.361 1.589 20 5 DDBDHN C[C@@H]1CN(C)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000408112160 164231638 /nfs/dbraw/zinc/23/16/38/164231638.db2.gz IPURNLOLOVAOKJ-SECBINFHSA-N 0 3 303.322 1.247 20 5 DDBDHN Cc1nn(C)c(N2CCN(CC3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000408193067 164255933 /nfs/dbraw/zinc/25/59/33/164255933.db2.gz QFULYFCSHSEQSR-UHFFFAOYSA-N 0 3 323.397 1.185 20 5 DDBDHN CCN1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000303971318 409555924 /nfs/dbraw/zinc/55/59/24/409555924.db2.gz DITLNKOXAYNELE-OAHLLOKOSA-N 0 3 323.393 1.362 20 5 DDBDHN Cc1c(Br)c(=O)n(CCN(C)C)cc1[N+](=O)[O-] ZINC000342456077 409646824 /nfs/dbraw/zinc/64/68/24/409646824.db2.gz ZFMIQQGGHDZVNL-UHFFFAOYSA-N 0 3 304.144 1.389 20 5 DDBDHN CN1CC[C@](O)(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000346729354 410117872 /nfs/dbraw/zinc/11/78/72/410117872.db2.gz OGJSTBVDCUNGMH-INIZCTEOSA-N 0 3 321.377 1.055 20 5 DDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCN(C)CC1 ZINC000298642890 410328084 /nfs/dbraw/zinc/32/80/84/410328084.db2.gz RVFUXRIOZCZBOE-GFCCVEGCSA-N 0 3 306.366 1.559 20 5 DDBDHN Cc1nn(CCC(=O)N[C@H]2CCCN(C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000343459883 410471143 /nfs/dbraw/zinc/47/11/43/410471143.db2.gz WTJNRUXNCSIALK-YPMHNXCESA-N 0 3 323.397 1.397 20 5 DDBDHN C[C@H]1[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCCN1C ZINC000343583801 410551592 /nfs/dbraw/zinc/55/15/92/410551592.db2.gz ZKEAPTRZIIRKNT-GXSJLCMTSA-N 0 3 321.333 1.536 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000340098175 410675111 /nfs/dbraw/zinc/67/51/11/410675111.db2.gz VVPHIMVYLITDJU-TZMCWYRMSA-N 0 3 320.393 1.919 20 5 DDBDHN CNC(=O)c1ccc(N(C)CCN2CCCC2)c([N+](=O)[O-])c1 ZINC000301216837 410677254 /nfs/dbraw/zinc/67/72/54/410677254.db2.gz YXQQXUAZASYOAR-UHFFFAOYSA-N 0 3 306.366 1.486 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)NCC2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000330679394 410872806 /nfs/dbraw/zinc/87/28/06/410872806.db2.gz DIVLJBOKEGAHNX-UHFFFAOYSA-N 0 3 307.354 1.433 20 5 DDBDHN CN1CCC[C@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)C1 ZINC000356289273 410946507 /nfs/dbraw/zinc/94/65/07/410946507.db2.gz VWOBSARGDXSIHQ-INIZCTEOSA-N 0 3 318.377 1.735 20 5 DDBDHN Cc1[nH+]ccn1CCNC(=O)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000353687325 411110050 /nfs/dbraw/zinc/11/00/50/411110050.db2.gz IPWGNSBHAPAEBT-UHFFFAOYSA-N 0 3 314.305 1.406 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(N[C@H](CO)CN2CCCCC2)n1 ZINC000580155775 422894002 /nfs/dbraw/zinc/89/40/02/422894002.db2.gz FQICLZMEXMKBPS-ZDUSSCGKSA-N 0 3 308.382 1.865 20 5 DDBDHN CCC[C@H](NCCN1C(=O)CNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000134125109 196363832 /nfs/dbraw/zinc/36/38/32/196363832.db2.gz LAROEOZTELXOII-ZDUSSCGKSA-N 0 3 320.349 1.577 20 5 DDBDHN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCN2CCC1CC2 ZINC000188839658 222029360 /nfs/dbraw/zinc/02/93/60/222029360.db2.gz XEWGQUYFCQSJQT-UHFFFAOYSA-N 0 3 314.345 1.996 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)C1CCN(CCO)CC1 ZINC000360903027 418543681 /nfs/dbraw/zinc/54/36/81/418543681.db2.gz BAADXKDNRVKSRS-UHFFFAOYSA-N 0 3 311.386 1.013 20 5 DDBDHN CNc1c(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000360945988 418552186 /nfs/dbraw/zinc/55/21/86/418552186.db2.gz SUXNAGYZENRUNZ-GXFFZTMASA-N 0 3 318.377 1.849 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000375052992 418596448 /nfs/dbraw/zinc/59/64/48/418596448.db2.gz DWUBOMYXJFZFGQ-DZGCQCFKSA-N 0 3 303.362 1.690 20 5 DDBDHN CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H](C)OC ZINC000291312705 222306324 /nfs/dbraw/zinc/30/63/24/222306324.db2.gz TWUHCQHEWCQJPF-QWHCGFSZSA-N 0 3 312.366 1.691 20 5 DDBDHN CC(C)[C@@]1(CO)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000368066177 418682911 /nfs/dbraw/zinc/68/29/11/418682911.db2.gz WHBGBACSAMRRDC-HNNXBMFYSA-N 0 3 309.366 1.097 20 5 DDBDHN C[C@@H]1OCC[C@H]1N(CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000361586784 418687435 /nfs/dbraw/zinc/68/74/35/418687435.db2.gz UJOCKURRZLRCRE-QWHCGFSZSA-N 0 3 310.350 1.445 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000365668959 418892474 /nfs/dbraw/zinc/89/24/74/418892474.db2.gz FRJSIHHGNJGEEN-STQMWFEESA-N 0 3 319.361 1.496 20 5 DDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1CCCN1C ZINC000421009410 419446739 /nfs/dbraw/zinc/44/67/39/419446739.db2.gz QAXQJPDJGVWYRK-DOMZBBRYSA-N 0 3 320.393 1.948 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](CCO)CC1 ZINC000421008005 419448052 /nfs/dbraw/zinc/44/80/52/419448052.db2.gz CXJLJVBUCSCBLY-CYBMUJFWSA-N 0 3 309.366 1.241 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H](CO)[C@H]1CCCOC1 ZINC000411983748 419544462 /nfs/dbraw/zinc/54/44/62/419544462.db2.gz GKXWJNAINXSZHY-JSGCOSHPSA-N 0 3 310.350 1.481 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(CC)[C@@H](C)C2)n1 ZINC000427844433 419750432 /nfs/dbraw/zinc/75/04/32/419750432.db2.gz CUKBEFAKMNOQFE-RYUDHWBXSA-N 0 3 323.397 1.756 20 5 DDBDHN C[C@@H]1COCC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000432357656 229098305 /nfs/dbraw/zinc/09/83/05/229098305.db2.gz MHQSGRAFIUVTPA-QMTHXVAHSA-N 0 3 308.334 1.976 20 5 DDBDHN NCc1cn([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000415134787 419961304 /nfs/dbraw/zinc/96/13/04/419961304.db2.gz WDVMAQVRBKXBCK-OAHLLOKOSA-N 0 3 316.365 1.482 20 5 DDBDHN C[C@]1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCCCN1 ZINC000423826344 420211540 /nfs/dbraw/zinc/21/15/40/420211540.db2.gz MEBRGTXSZJZEAU-OAHLLOKOSA-N 0 3 321.381 1.487 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]2CCC[C@@H](C1)N2 ZINC000420347220 420227484 /nfs/dbraw/zinc/22/74/84/420227484.db2.gz FUSVIACCAYJQGR-BETUJISGSA-N 0 3 318.377 1.668 20 5 DDBDHN CN(C[C@@H]1CCCN(C)C1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420604502 420329039 /nfs/dbraw/zinc/32/90/39/420329039.db2.gz RZELMEBIHLPSPR-LLVKDONJSA-N 0 3 306.366 1.472 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-]CC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000440809917 420608966 /nfs/dbraw/zinc/60/89/66/420608966.db2.gz ODPOTCLHCCHLQE-LLVKDONJSA-N 0 3 313.379 1.324 20 5 DDBDHN COc1cc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000453014097 420701381 /nfs/dbraw/zinc/70/13/81/420701381.db2.gz UOHBEDOTMTXWME-TVQRCGJNSA-N 0 3 323.324 1.519 20 5 DDBDHN CN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000523435961 421239079 /nfs/dbraw/zinc/23/90/79/421239079.db2.gz ZALUSHDFXLQAMH-HNNXBMFYSA-N 0 3 318.377 1.973 20 5 DDBDHN COCCN(C)CCCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000562393868 421361714 /nfs/dbraw/zinc/36/17/14/421361714.db2.gz ZOGVRMRSAAEJKA-CYBMUJFWSA-N 0 3 323.393 1.783 20 5 DDBDHN COc1cc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000519580992 421702969 /nfs/dbraw/zinc/70/29/69/421702969.db2.gz VJFKHQKYXUYZBB-WCQYABFASA-N 0 3 305.334 1.380 20 5 DDBDHN C[C@@H]1Oc2ccccc2[C@@H]1NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574270757 422084674 /nfs/dbraw/zinc/08/46/74/422084674.db2.gz KAFZKLYAKIMREW-JVLSTEMRSA-N 0 3 318.333 1.264 20 5 DDBDHN C[C@@H](NC1CC1)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000583260314 422159029 /nfs/dbraw/zinc/15/90/29/422159029.db2.gz OJEXMIWFUUFOJQ-SECBINFHSA-N 0 3 315.333 2.064 20 5 DDBDHN Cc1ccnc([C@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000575813474 422330633 /nfs/dbraw/zinc/33/06/33/422330633.db2.gz XPXNYBUXGBAPRK-ZDUSSCGKSA-N 0 3 301.350 1.984 20 5 DDBDHN CNc1nccc(C(=O)NC[C@@H]2CCN2C(C)(C)C)c1[N+](=O)[O-] ZINC000597861294 422392409 /nfs/dbraw/zinc/39/24/09/422392409.db2.gz SKUFZEAFGXDXIM-JTQLQIEISA-N 0 3 321.381 1.634 20 5 DDBDHN CN(C)C1CN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000577964101 422468084 /nfs/dbraw/zinc/46/80/84/422468084.db2.gz YKMDAEFCRNZZQI-UHFFFAOYSA-N 0 3 324.356 1.321 20 5 DDBDHN CSCC[C@@H](N)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000579227202 422727318 /nfs/dbraw/zinc/72/73/18/422727318.db2.gz UGNSBNGLVFECNM-GFCCVEGCSA-N 0 3 313.379 1.170 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@]12CCOC2 ZINC000341956075 271259296 /nfs/dbraw/zinc/25/92/96/271259296.db2.gz SKIYNELTTRYQKY-BBRMVZONSA-N 0 3 322.361 1.589 20 5 DDBDHN Cn1c(C(=O)N2CCC[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000344603833 272068954 /nfs/dbraw/zinc/06/89/54/272068954.db2.gz KILAGCKQFWADIH-GFCCVEGCSA-N 0 3 306.366 1.634 20 5 DDBDHN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H](C)CO ZINC000295726212 274244870 /nfs/dbraw/zinc/24/48/70/274244870.db2.gz LOJZTZIVEOIQLD-GHMZBOCLSA-N 0 3 307.350 1.090 20 5 DDBDHN CCCN(CCN1CCCC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000286627877 278786486 /nfs/dbraw/zinc/78/64/86/278786486.db2.gz CPUTXNGDJJIOSU-UHFFFAOYSA-N 0 3 309.370 1.126 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCc2ccccc2CC1 ZINC000090549640 281036756 /nfs/dbraw/zinc/03/67/56/281036756.db2.gz OIFIHEXIDBDYKT-UHFFFAOYSA-N 0 3 313.357 1.857 20 5 DDBDHN CN1CCC[C@@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000120686133 281123321 /nfs/dbraw/zinc/12/33/21/281123321.db2.gz MZELINPHZARZCX-AWEZNQCLSA-N 0 3 320.393 1.778 20 5 DDBDHN CC(C)N1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357315146 299007341 /nfs/dbraw/zinc/00/73/41/299007341.db2.gz MHYFEPRKQPGPGU-UHFFFAOYSA-N 0 3 307.354 1.373 20 5 DDBDHN COC(=O)C[C@]1(NCCOc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000362271813 300040621 /nfs/dbraw/zinc/04/06/21/300040621.db2.gz XGJOUUCOFISULP-OAHLLOKOSA-N 0 3 324.333 1.285 20 5 DDBDHN CCN1CCc2c(cccc2NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000362415307 300058140 /nfs/dbraw/zinc/05/81/40/300058140.db2.gz ZIZIZRDAGXHIMB-UHFFFAOYSA-N 0 3 315.333 1.948 20 5 DDBDHN C[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)N(C)C ZINC000362501473 300079695 /nfs/dbraw/zinc/07/96/95/300079695.db2.gz VKJVDRUUTUIVOI-MRVPVSSYSA-N 0 3 301.293 1.482 20 5 DDBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000288590588 300497857 /nfs/dbraw/zinc/49/78/57/300497857.db2.gz YBGGPJKZVBMZRW-RYUDHWBXSA-N 0 3 318.377 1.876 20 5 DDBDHN C[C@H](CO)N1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368966165 301112382 /nfs/dbraw/zinc/11/23/82/301112382.db2.gz NLCHNDLEPWJAMO-CJNGLKHVSA-N 0 3 323.393 1.017 20 5 DDBDHN COCCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532143902 303277392 /nfs/dbraw/zinc/27/73/92/303277392.db2.gz PDSLPHZAMFPYMK-UHFFFAOYSA-N 0 3 322.365 1.221 20 5 DDBDHN CC(COC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1)[N+](=O)[O-] ZINC000496582004 307352043 /nfs/dbraw/zinc/35/20/43/307352043.db2.gz IYNXMGBSGGYNCQ-NXEZZACHSA-N 0 3 316.354 1.983 20 5 DDBDHN CC(C)N1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000563506937 307972278 /nfs/dbraw/zinc/97/22/78/307972278.db2.gz KXBWIJJOKQSADW-OAHLLOKOSA-N 0 3 319.409 1.595 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2C[C@H]2C2CC2)cc1 ZINC000584465743 337347051 /nfs/dbraw/zinc/34/70/51/337347051.db2.gz ZZCQWVDZXORSBG-UONOGXRCSA-N 0 3 310.375 1.757 20 5 DDBDHN CC[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182318314 490689029 /nfs/dbraw/zinc/68/90/29/490689029.db2.gz VCAWSZZXMRKBRZ-OCCSQVGLSA-N 0 3 307.350 1.741 20 5 DDBDHN Cc1c(CN2C[C@@H](C)N(CCO)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000451659894 533847199 /nfs/dbraw/zinc/84/71/99/533847199.db2.gz CMQAYFNMYLCWMG-BETUJISGSA-N 0 3 307.394 1.790 20 5 DDBDHN COc1ccc(NC(=O)CN[C@@H]2CCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000451632175 534082263 /nfs/dbraw/zinc/08/22/63/534082263.db2.gz NLVUYKDMDRPUTH-TZMCWYRMSA-N 0 3 323.349 1.699 20 5 DDBDHN O=[N+]([O-])c1ccc2[nH]c(NCCN3CCC(O)CC3)nc2c1 ZINC000295658029 534883913 /nfs/dbraw/zinc/88/39/13/534883913.db2.gz AMSOBOBRNQYCES-UHFFFAOYSA-N 0 3 305.338 1.340 20 5 DDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H](O)[C@@H](CO)C1 ZINC000414564654 527528466 /nfs/dbraw/zinc/52/84/66/527528466.db2.gz XVSSKKCMRHFVMZ-JQIVSHAJSA-N 0 3 306.362 1.673 20 5 DDBDHN CC(C)OC[C@H](CO)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000433246382 528024792 /nfs/dbraw/zinc/02/47/92/528024792.db2.gz LNVPGDBPMAMSOU-AWEZNQCLSA-N 0 3 312.366 1.691 20 5 DDBDHN CCNC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000294800446 528144517 /nfs/dbraw/zinc/14/45/17/528144517.db2.gz OYRVUESBQJRPDY-CMPLNLGQSA-N 0 3 321.381 1.631 20 5 DDBDHN CC(C)N(Cc1cccnc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305712145 528956870 /nfs/dbraw/zinc/95/68/70/528956870.db2.gz YFLOAENFMACBBY-OAHLLOKOSA-N 0 3 319.365 1.458 20 5 DDBDHN CCCC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736453912 598772549 /nfs/dbraw/zinc/77/25/49/598772549.db2.gz SSKATAFZRRGQAS-UHFFFAOYSA-N 0 3 320.357 1.314 20 5 DDBDHN CCCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736453912 598772551 /nfs/dbraw/zinc/77/25/51/598772551.db2.gz SSKATAFZRRGQAS-UHFFFAOYSA-N 0 3 320.357 1.314 20 5 DDBDHN CCCC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736453912 598772552 /nfs/dbraw/zinc/77/25/52/598772552.db2.gz SSKATAFZRRGQAS-UHFFFAOYSA-N 0 3 320.357 1.314 20 5 DDBDHN CCCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736453912 598772553 /nfs/dbraw/zinc/77/25/53/598772553.db2.gz SSKATAFZRRGQAS-UHFFFAOYSA-N 0 3 320.357 1.314 20 5 DDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCCC1 ZINC000072634469 696395094 /nfs/dbraw/zinc/39/50/94/696395094.db2.gz AZHJBNZGPSZSNG-UHFFFAOYSA-N 0 3 306.366 1.486 20 5 DDBDHN Cc1nn(C)c(C)c1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749683296 700176646 /nfs/dbraw/zinc/17/66/46/700176646.db2.gz OCYDNTWZQXCDOC-OAHLLOKOSA-N 0 3 304.350 1.768 20 5 DDBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)C1CCN(C)C1=O ZINC000774107100 697844890 /nfs/dbraw/zinc/84/48/90/697844890.db2.gz ZPIIIYMOPWTHTN-QMMMGPOBSA-N 0 3 312.709 1.940 20 5 DDBDHN CC(C)CN1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776574974 698119750 /nfs/dbraw/zinc/11/97/50/698119750.db2.gz MUNYJKGVURHNFC-INIZCTEOSA-N 0 3 307.394 1.902 20 5 DDBDHN CC(C)N1CCO[C@@H](C(=N)NOCc2ccc([N+](=O)[O-])cc2)C1 ZINC000779649654 698448041 /nfs/dbraw/zinc/44/80/41/698448041.db2.gz KAMKJPJAPSFMAZ-CQSZACIVSA-N 0 3 322.365 1.702 20 5 DDBDHN COC[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000789384747 699383425 /nfs/dbraw/zinc/38/34/25/699383425.db2.gz ZQDOITRPNQAWHQ-RRFJBIMHSA-N 0 3 310.350 1.412 20 5 DDBDHN COCCN(C)CCNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868216838 702003596 /nfs/dbraw/zinc/00/35/96/702003596.db2.gz LRGYYXUALCKIIO-UHFFFAOYSA-N 0 3 324.381 1.281 20 5 DDBDHN CC(=O)N(CCc1ccccc1)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813107240 702294115 /nfs/dbraw/zinc/29/41/15/702294115.db2.gz NLVXFFPVDVZNKK-GFCCVEGCSA-N 0 3 308.334 1.286 20 5 DDBDHN Cc1cccc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)c1C ZINC000813107263 702294204 /nfs/dbraw/zinc/29/42/04/702294204.db2.gz NXIUUUPUYYZVFQ-YPMHNXCESA-N 0 3 320.345 1.865 20 5 DDBDHN Cc1cc(=O)oc2cc(OCC(=O)OCC(C)[N+](=O)[O-])ccc12 ZINC000813108544 702295443 /nfs/dbraw/zinc/29/54/43/702295443.db2.gz ZNKGCLHEPZGDLS-SNVBAGLBSA-N 0 3 321.285 1.689 20 5 DDBDHN CC(COC(=O)c1cccc(CS(C)(=O)=O)c1)[N+](=O)[O-] ZINC000813111248 702297300 /nfs/dbraw/zinc/29/73/00/702297300.db2.gz DSULWSDDGJUSFK-VIFPVBQESA-N 0 3 301.320 1.053 20 5 DDBDHN CC(COC(=O)Cn1nc(-c2ccccc2)ccc1=O)[N+](=O)[O-] ZINC000813114989 702299030 /nfs/dbraw/zinc/29/90/30/702299030.db2.gz IMFNBLAWTRETHX-NSHDSACASA-N 0 3 317.301 1.119 20 5 DDBDHN CC(COC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)[N+](=O)[O-] ZINC000813115234 702299225 /nfs/dbraw/zinc/29/92/25/702299225.db2.gz NMPODYOLOGBBSO-YUMQZZPRSA-N 0 3 310.331 1.941 20 5 DDBDHN Cc1nc(N(C)CCN2CC3(C2)CCOCC3)ccc1[N+](=O)[O-] ZINC000866257764 706659473 /nfs/dbraw/zinc/65/94/73/706659473.db2.gz KZOJZGRDOFPTMY-UHFFFAOYSA-N 0 3 320.393 1.847 20 5 DDBDHN Cc1ccc([C@H](O)CNC[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000843089839 702816782 /nfs/dbraw/zinc/81/67/82/702816782.db2.gz TVHYKYVSQFWDMM-UONOGXRCSA-N 0 3 306.318 1.853 20 5 DDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000848351488 703542041 /nfs/dbraw/zinc/54/20/41/703542041.db2.gz DMEYMQSLYYIMTC-LSDHHAIUSA-N 0 3 318.377 1.924 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000820272084 704250517 /nfs/dbraw/zinc/25/05/17/704250517.db2.gz JGIOFBOYOXQOLY-LCGIIJARSA-N 0 3 315.373 1.861 20 5 DDBDHN CC[C@@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000856407637 704527379 /nfs/dbraw/zinc/52/73/79/704527379.db2.gz WCHAWCUXDBSKLA-ZKYQVNSYSA-N 0 3 307.350 1.227 20 5 DDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000874851036 705204195 /nfs/dbraw/zinc/20/41/95/705204195.db2.gz ZCGGRJPAIMYLEC-QWHCGFSZSA-N 0 3 319.361 1.669 20 5 DDBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@@]1(O)CCc2ccccc21 ZINC000829338052 706320626 /nfs/dbraw/zinc/32/06/26/706320626.db2.gz QLFNREHEVAQVMW-INIZCTEOSA-N 0 3 316.361 1.557 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]21 ZINC000834310878 707027492 /nfs/dbraw/zinc/02/74/92/707027492.db2.gz ZJEHKXJIMIGHKM-YGRLFVJLSA-N 0 3 323.324 1.275 20 5 DDBDHN CN1CCC[C@@H]2[C@@H]1CCN2c1nc2sccn2c1[N+](=O)[O-] ZINC000872779841 707597017 /nfs/dbraw/zinc/59/70/17/707597017.db2.gz IWZUHWKZZBEOFM-VHSXEESVSA-N 0 3 307.379 1.977 20 5 DDBDHN CN(C)CCn1nccc1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000839392233 708046078 /nfs/dbraw/zinc/04/60/78/708046078.db2.gz DRUBWWAUDPFFGG-UHFFFAOYSA-N 0 3 321.312 1.744 20 5 DDBDHN COC(=O)c1ccnc(N2CCC23CCN(C)CC3)c1[N+](=O)[O-] ZINC000897132127 708236785 /nfs/dbraw/zinc/23/67/85/708236785.db2.gz HFYHEJNUXOXXBO-UHFFFAOYSA-N 0 3 320.349 1.451 20 5 DDBDHN Cc1ccnc(N2CC[C@@H]3[C@@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC000897222607 708260089 /nfs/dbraw/zinc/26/00/89/708260089.db2.gz WEXNUHHKLXNZFT-OLZOCXBDSA-N 0 3 306.366 1.334 20 5 DDBDHN O=C(NC[C@H]1CCN1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000885855208 708640353 /nfs/dbraw/zinc/64/03/53/708640353.db2.gz LCURRHHWJRFSGG-OAHLLOKOSA-N 0 3 319.361 1.578 20 5 DDBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCC2)C1 ZINC000912928337 713127016 /nfs/dbraw/zinc/12/70/16/713127016.db2.gz IIFBIAIOLSQEMJ-IJVDHGTGSA-N 0 3 301.346 1.915 20 5 DDBDHN Cc1cc(OCC(=O)N[C@@H]2CCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000928438151 713196122 /nfs/dbraw/zinc/19/61/22/713196122.db2.gz SQQVRENQUJVQMG-DGCLKSJQSA-N 0 3 307.350 1.491 20 5 DDBDHN COc1c([O-])ccc(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000895844009 711623329 /nfs/dbraw/zinc/62/33/29/711623329.db2.gz QUPOVPYPHJETEN-AAEUAGOBSA-N 0 3 321.377 1.835 20 5 DDBDHN COc1c([O-])ccc(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000895844009 711623333 /nfs/dbraw/zinc/62/33/33/711623333.db2.gz QUPOVPYPHJETEN-AAEUAGOBSA-N 0 3 321.377 1.835 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000929090340 713543768 /nfs/dbraw/zinc/54/37/68/713543768.db2.gz BDLYBPKHKQYGKA-ZWNOBZJWSA-N 0 3 320.349 1.771 20 5 DDBDHN COc1ccc(NC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000930770130 713916077 /nfs/dbraw/zinc/91/60/77/713916077.db2.gz VUFUOCDWENYWIM-MFKMUULPSA-N 0 3 320.349 1.771 20 5 DDBDHN COc1ccc(CNC[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1[N+](=O)[O-] ZINC000922726734 714128990 /nfs/dbraw/zinc/12/89/90/714128990.db2.gz YGNRNJSUFYOCRQ-XUJVJEKNSA-N 0 3 308.334 1.497 20 5 DDBDHN C[C@@H](NCCN1C(=O)CN(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000932177621 714279725 /nfs/dbraw/zinc/27/97/25/714279725.db2.gz DMBQSXPGDCYDAE-SNVBAGLBSA-N 0 3 306.322 1.139 20 5 DDBDHN Cc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)cnn1 ZINC001126250281 738769283 /nfs/dbraw/zinc/76/92/83/738769283.db2.gz HJYHCGYGNFPNMC-UHFFFAOYSA-N 0 3 315.333 1.213 20 5 DDBDHN COc1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)on1 ZINC001126033658 738148212 /nfs/dbraw/zinc/14/82/12/738148212.db2.gz SFKGZCAIUYHJHO-UHFFFAOYSA-N 0 3 320.305 1.111 20 5 DDBDHN CS(=O)(=O)c1ccc(CN[C@H]2CC[C@@H](C[N+](=O)[O-])C2)nc1 ZINC001168961702 762156042 /nfs/dbraw/zinc/15/60/42/762156042.db2.gz JQQRRPAQNWPVKJ-MNOVXSKESA-N 0 3 313.379 1.020 20 5 DDBDHN CC(C)N(C)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097190268 756977825 /nfs/dbraw/zinc/97/78/25/756977825.db2.gz NEMHZIQMNPQIOV-OKILXGFUSA-N 0 3 320.393 1.994 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccsn1 ZINC001130095243 767255175 /nfs/dbraw/zinc/25/51/75/767255175.db2.gz CLZGJNDSIRVYLI-UHFFFAOYSA-N 0 3 306.347 1.571 20 5 DDBDHN CCc1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)no1 ZINC001148321833 773435501 /nfs/dbraw/zinc/43/55/01/773435501.db2.gz LGBVZPVJRSQGPA-UHFFFAOYSA-N 0 3 318.333 1.665 20 5 DDBDHN Cc1cnc(NCCN(C)C(=O)CN2CCCC2)c([N+](=O)[O-])c1 ZINC001101633346 777328954 /nfs/dbraw/zinc/32/89/54/777328954.db2.gz MKMQYAZAZCYWDQ-UHFFFAOYSA-N 0 3 321.381 1.264 20 5 DDBDHN CCCN(C)CC(=O)N(C)CCNc1nc(C)ccc1[N+](=O)[O-] ZINC001101705793 777416175 /nfs/dbraw/zinc/41/61/75/777416175.db2.gz XPUYROSBRXSMJK-UHFFFAOYSA-N 0 3 323.397 1.510 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCCCCCCNC(=O)C1CC1 ZINC001177717080 778712161 /nfs/dbraw/zinc/71/21/61/778712161.db2.gz SPUPRXAOKCNONR-UHFFFAOYSA-N 0 3 323.397 1.505 20 5 DDBDHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)c1cn[nH]c1 ZINC001268782024 840789879 /nfs/dbraw/zinc/78/98/79/840789879.db2.gz NWSOTORVEDJIAM-UHFFFAOYSA-N 0 3 317.349 1.570 20 5 DDBDHN CC(=O)CCCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001154575590 861233251 /nfs/dbraw/zinc/23/32/51/861233251.db2.gz OSJJIDWWSSBTIT-UHFFFAOYSA-N 0 3 321.377 1.950 20 5 DDBDHN CCc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001123857210 859443397 /nfs/dbraw/zinc/44/33/97/859443397.db2.gz PELVLICEJQKNFM-UHFFFAOYSA-N 0 3 317.349 1.400 20 5 DDBDHN Cn1cc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])cn1 ZINC001154510375 861159414 /nfs/dbraw/zinc/15/94/14/861159414.db2.gz SSAVMKMLMITVEG-UHFFFAOYSA-N 0 3 317.349 1.238 20 5 DDBDHN CN(C)CCONC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001329291737 863581949 /nfs/dbraw/zinc/58/19/49/863581949.db2.gz NDMMWGKCKWWMAI-UHFFFAOYSA-N 0 3 319.321 1.004 20 5 DDBDHN CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1ccc([C@@H](C)N)n1 ZINC001158350737 864596501 /nfs/dbraw/zinc/59/65/01/864596501.db2.gz OBABUBWYLLFSPW-MRVPVSSYSA-N 0 3 305.294 1.372 20 5 DDBDHN Cc1cc(C(=O)NCCN2CCC(C)(C)C2)c(N)c([N+](=O)[O-])c1 ZINC001159011087 865039989 /nfs/dbraw/zinc/03/99/89/865039989.db2.gz DCJSZMKFUPJFJF-UHFFFAOYSA-N 0 3 320.393 1.947 20 5 DDBDHN C[C@@](O)(CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001336699026 869098884 /nfs/dbraw/zinc/09/88/84/869098884.db2.gz JATJWZZRZYIOIN-WDEREUQCSA-N 0 3 308.256 1.531 20 5 DDBDHN CN(C)/C=C\c1cc(N2CC(C)(N(C)C)C2)ncc1[N+](=O)[O-] ZINC001165121545 869389905 /nfs/dbraw/zinc/38/99/05/869389905.db2.gz UVVMDJQYHGWICZ-SREVYHEPSA-N 0 3 305.382 1.662 20 5 DDBDHN CC(C)(C(=O)N[C@H]1COC2(CNC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001340617449 871237101 /nfs/dbraw/zinc/23/71/01/871237101.db2.gz XQAAHNSCXNVKOW-GFCCVEGCSA-N 0 3 319.361 1.120 20 5 DDBDHN O=C(N[C@@H]1COC2(CNC2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001344000631 872831218 /nfs/dbraw/zinc/83/12/18/872831218.db2.gz UDRXDYJUBYQEFO-QMMMGPOBSA-N 0 3 311.725 1.109 20 5 DDBDHN CO[C@@H]1CCN(CCOc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001229403438 883961510 /nfs/dbraw/zinc/96/15/10/883961510.db2.gz QPTJOYFUHIXLHI-GFCCVEGCSA-N 0 3 318.333 1.638 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@H]1COCCC13OCCO3)C2 ZINC001254576206 896511680 /nfs/dbraw/zinc/51/16/80/896511680.db2.gz VBMAOHJQUJCVLB-ZFWWWQNUSA-N 0 3 320.345 1.184 20 5 DDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001294503421 915177990 /nfs/dbraw/zinc/17/79/90/915177990.db2.gz XBFWMEPQCJPFOI-NEPJUHHUSA-N 0 3 319.365 1.271 20 5 DDBDHN Cc1cc(N2CCN(C3CCOCC3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000278277169 214061657 /nfs/dbraw/zinc/06/16/57/214061657.db2.gz BHRYIJBITJOIGZ-ZDUSSCGKSA-N 0 3 320.393 1.988 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000278453610 214163044 /nfs/dbraw/zinc/16/30/44/214163044.db2.gz RDBVZNBEWGGPDU-KOLCDFICSA-N 0 3 307.354 1.047 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000278453610 214163045 /nfs/dbraw/zinc/16/30/45/214163045.db2.gz RDBVZNBEWGGPDU-KOLCDFICSA-N 0 3 307.354 1.047 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCOCCN(C)C ZINC000446484600 230270752 /nfs/dbraw/zinc/27/07/52/230270752.db2.gz JHUCWVVPOUZCEN-UHFFFAOYSA-N 0 3 310.354 1.603 20 5 DDBDHN CC[C@@]1(O)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000495250803 529574987 /nfs/dbraw/zinc/57/49/87/529574987.db2.gz JKFUQLFBXJVLEQ-DZGCQCFKSA-N 0 3 310.350 1.181 20 5 DDBDHN CN(C)C1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000615994384 362513661 /nfs/dbraw/zinc/51/36/61/362513661.db2.gz BHOCAHBNLPOJER-UHFFFAOYSA-N 0 3 320.393 1.177 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCN(C2CC2)C1 ZINC000358406309 299143979 /nfs/dbraw/zinc/14/39/79/299143979.db2.gz CWWGJYUZEAZYNL-NSHDSACASA-N 0 3 307.325 1.629 20 5 DDBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000138226218 186015172 /nfs/dbraw/zinc/01/51/72/186015172.db2.gz NENGFHYCNVQBEL-SNVBAGLBSA-N 0 3 309.370 1.558 20 5 DDBDHN C[C@]1(O)CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000280086625 215365095 /nfs/dbraw/zinc/36/50/95/215365095.db2.gz OETZZGNDABLOOQ-ZBFHGGJFSA-N 0 3 324.377 1.571 20 5 DDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCN(C2CCCC2)CC1 ZINC000172421860 198094413 /nfs/dbraw/zinc/09/44/13/198094413.db2.gz SWCNSXXKDFBYTH-UHFFFAOYSA-N 0 3 321.381 1.268 20 5 DDBDHN CN(C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000052397053 352610066 /nfs/dbraw/zinc/61/00/66/352610066.db2.gz YLOSIQXHJHVRDP-UHFFFAOYSA-N 0 3 302.334 1.915 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000053678004 352664126 /nfs/dbraw/zinc/66/41/26/352664126.db2.gz ASQJICWDSOAIJD-GFCCVEGCSA-N 0 3 306.366 1.851 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000063728046 352921351 /nfs/dbraw/zinc/92/13/51/352921351.db2.gz GUYABQOFFLWTIH-UHFFFAOYSA-N 0 3 323.397 1.433 20 5 DDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])s1 ZINC000061650262 352893173 /nfs/dbraw/zinc/89/31/73/352893173.db2.gz MRNJLXFDICYABA-UWVGGRQHSA-N 0 3 311.363 1.249 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CCC[C@@H]2CN2CCCCC2)c1[N+](=O)[O-] ZINC000069489945 353162769 /nfs/dbraw/zinc/16/27/69/353162769.db2.gz CNUARBSWHTZKBC-GFCCVEGCSA-N 0 3 321.381 1.717 20 5 DDBDHN Cc1[nH]nc(C(=O)N2CCC[C@@H]2CN2CCCCC2)c1[N+](=O)[O-] ZINC000069489945 353162771 /nfs/dbraw/zinc/16/27/71/353162771.db2.gz CNUARBSWHTZKBC-GFCCVEGCSA-N 0 3 321.381 1.717 20 5 DDBDHN COCCN1CCC[C@H]1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000069530432 353165728 /nfs/dbraw/zinc/16/57/28/353165728.db2.gz MFNWOOPFSQZOLW-AWEZNQCLSA-N 0 3 321.377 1.744 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(n2cccn2)CC1 ZINC000090548628 353795071 /nfs/dbraw/zinc/79/50/71/353795071.db2.gz AYWIFEKJWWFCEM-UHFFFAOYSA-N 0 3 317.349 1.290 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000090554478 353795846 /nfs/dbraw/zinc/79/58/46/353795846.db2.gz SLKLQGARMROKPU-GFCCVEGCSA-N 0 3 317.349 1.359 20 5 DDBDHN CN1CCC[C@@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000108325939 353950822 /nfs/dbraw/zinc/95/08/22/353950822.db2.gz XYWNVYNCQAKTJV-ZDUSSCGKSA-N 0 3 321.377 1.822 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000108299167 353949592 /nfs/dbraw/zinc/94/95/92/353949592.db2.gz WDWPHJIVBATRHB-GFCCVEGCSA-N 0 3 304.350 1.512 20 5 DDBDHN CNC(=O)[C@H]1CCC[C@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000345840116 283002933 /nfs/dbraw/zinc/00/29/33/283002933.db2.gz HBEDFGBYRASSCU-NWDGAFQWSA-N 0 3 307.350 1.608 20 5 DDBDHN O=[N+]([O-])c1ccc2ncnc(N3CCCN(CCO)CC3)c2c1 ZINC000321661570 354533582 /nfs/dbraw/zinc/53/35/82/354533582.db2.gz TVAIUACHMCMYAY-UHFFFAOYSA-N 0 3 317.349 1.042 20 5 DDBDHN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@@H]1CNCCC1(F)F ZINC000493599519 234873470 /nfs/dbraw/zinc/87/34/70/234873470.db2.gz SYNWPIRHXVPXKH-QMAVJUDZSA-N 0 3 311.288 1.721 20 5 DDBDHN Cc1cccc(C(=O)N[C@H](CO)CN2CCCC2)c1[N+](=O)[O-] ZINC000588870010 354945116 /nfs/dbraw/zinc/94/51/16/354945116.db2.gz SELZEFAQCQORKN-LBPRGKRZSA-N 0 3 307.350 1.090 20 5 DDBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590590144 355122094 /nfs/dbraw/zinc/12/20/94/355122094.db2.gz TWGDHKQQFIQTSS-ZWNOBZJWSA-N 0 3 313.379 1.308 20 5 DDBDHN CN(C)CCn1cc(N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)cn1 ZINC000590687351 355147761 /nfs/dbraw/zinc/14/77/61/355147761.db2.gz YLPTYAIXMLQIQX-UHFFFAOYSA-N 0 3 315.337 1.395 20 5 DDBDHN CC1(C)CNCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000592472653 355592820 /nfs/dbraw/zinc/59/28/20/355592820.db2.gz VWLUUOIDCXRSKW-UHFFFAOYSA-N 0 3 320.393 1.997 20 5 DDBDHN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCCCC1 ZINC000592350131 355564430 /nfs/dbraw/zinc/56/44/30/355564430.db2.gz ZTPMSMKECGOVCL-UHFFFAOYSA-N 0 3 318.333 1.897 20 5 DDBDHN CN1CC=C(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593589300 355935402 /nfs/dbraw/zinc/93/54/02/355935402.db2.gz RNMGIZBSLRAAIC-UHFFFAOYSA-N 0 3 307.325 1.655 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCCC[C@@H]2CO)c1 ZINC000594014453 356086892 /nfs/dbraw/zinc/08/68/92/356086892.db2.gz DSXLYSZZRUDDDH-HUUCEWRRSA-N 0 3 324.377 1.571 20 5 DDBDHN Cn1c(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594204728 356139185 /nfs/dbraw/zinc/13/91/85/356139185.db2.gz XSYHNFBNPQEGOI-VXGBXAGGSA-N 0 3 306.366 1.680 20 5 DDBDHN NC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000594451208 356221998 /nfs/dbraw/zinc/22/19/98/356221998.db2.gz YUNIIPPZVLLCFL-MRVPVSSYSA-N 0 3 311.647 1.868 20 5 DDBDHN CCC(C)(C)N1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000594390594 356194441 /nfs/dbraw/zinc/19/44/41/356194441.db2.gz XXWSUZMNWPWOHB-UHFFFAOYSA-N 0 3 323.397 1.433 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCN1CCOC[C@H]1C ZINC000595014359 356371826 /nfs/dbraw/zinc/37/18/26/356371826.db2.gz UZQSVCQCXNYJJO-CHWSQXEVSA-N 0 3 323.393 1.975 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCc1n[nH]c(C)n1 ZINC000595033450 356375171 /nfs/dbraw/zinc/37/51/71/356375171.db2.gz LVXJBAAUKWBULA-SECBINFHSA-N 0 3 305.338 1.923 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCc1nc(C)n[nH]1 ZINC000595033450 356375173 /nfs/dbraw/zinc/37/51/73/356375173.db2.gz LVXJBAAUKWBULA-SECBINFHSA-N 0 3 305.338 1.923 20 5 DDBDHN C[C@@H](NC[C@]1(OCCO)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000595077935 356379235 /nfs/dbraw/zinc/37/92/35/356379235.db2.gz LKENRRMDUNWJEV-IUODEOHRSA-N 0 3 310.350 1.413 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H]2COC[C@@H]2C1 ZINC000595836995 356672357 /nfs/dbraw/zinc/67/23/57/356672357.db2.gz ZQIPEGFZQVMEAB-HZSPNIEDSA-N 0 3 322.361 1.303 20 5 DDBDHN O=[N+]([O-])c1cc(CN2CC[C@H]3COC[C@@H]3C2)c2c(c1)COCO2 ZINC000595830709 356668172 /nfs/dbraw/zinc/66/81/72/356668172.db2.gz LGUJHLHFENSEBX-FZMZJTMJSA-N 0 3 320.345 1.930 20 5 DDBDHN Cc1c(CN)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)nn1C ZINC000595962069 356725509 /nfs/dbraw/zinc/72/55/09/356725509.db2.gz OVIJRNXSCQIUNY-UHFFFAOYSA-N 0 3 303.322 1.277 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(C2CC2)C1 ZINC000596091135 356768804 /nfs/dbraw/zinc/76/88/04/356768804.db2.gz WBAQOBARJUHHLH-JTQLQIEISA-N 0 3 304.350 1.603 20 5 DDBDHN CSC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000596237709 356828443 /nfs/dbraw/zinc/82/84/43/356828443.db2.gz HBYJWHCYNUAXRW-UHFFFAOYSA-N 0 3 312.395 1.935 20 5 DDBDHN COC(=O)c1cc(N(C)CC2CN(C)C2)cc(C)c1[N+](=O)[O-] ZINC000596452102 356883837 /nfs/dbraw/zinc/88/38/37/356883837.db2.gz CIJQPZJDJFOQLU-UHFFFAOYSA-N 0 3 307.350 1.688 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000598341816 357544054 /nfs/dbraw/zinc/54/40/54/357544054.db2.gz GLCYCXTYRZPEGH-CYBMUJFWSA-N 0 3 321.377 1.883 20 5 DDBDHN CC(C)[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCN1 ZINC000598569247 357635144 /nfs/dbraw/zinc/63/51/44/357635144.db2.gz CBEHFRMHPQFACE-ZDUSSCGKSA-N 0 3 309.341 1.733 20 5 DDBDHN COc1ccc(OCCN(C)[C@H]2C[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000599644075 358003690 /nfs/dbraw/zinc/00/36/90/358003690.db2.gz HVFUJOPYGMQLFC-PHIMTYICSA-N 0 3 323.349 1.178 20 5 DDBDHN CCN(C(=O)COc1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000599986209 358096649 /nfs/dbraw/zinc/09/66/49/358096649.db2.gz RAXHQPKWCHJYKF-UHFFFAOYSA-N 0 3 321.377 1.916 20 5 DDBDHN CCN1C[C@@H](C)N(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H]1C ZINC000348108974 283372242 /nfs/dbraw/zinc/37/22/42/283372242.db2.gz VLXMWIGSXGNZTM-GHMZBOCLSA-N 0 3 304.354 1.556 20 5 DDBDHN CN(C)CCn1cc(NC(=O)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000601028730 358387078 /nfs/dbraw/zinc/38/70/78/358387078.db2.gz VPLIKUZMYUWOCP-UHFFFAOYSA-N 0 3 321.312 1.744 20 5 DDBDHN CN1C[C@@H]2CCCN(C(=O)c3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000601646961 358635013 /nfs/dbraw/zinc/63/50/13/358635013.db2.gz KIHXAZNRVDKKNZ-GXFFZTMASA-N 0 3 307.325 1.900 20 5 DDBDHN Cn1cc(CN2CCN(C)CC23CCCCC3)c([N+](=O)[O-])n1 ZINC000602779713 359185005 /nfs/dbraw/zinc/18/50/05/359185005.db2.gz NOUVXWGONDYSRV-UHFFFAOYSA-N 0 3 307.398 1.779 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN(Cc1ccccc1)C[C@H](C)O ZINC000602781562 359186102 /nfs/dbraw/zinc/18/61/02/359186102.db2.gz TVCIFOBKMGTBAA-ZDUSSCGKSA-N 0 3 318.377 1.983 20 5 DDBDHN CC(C)[C@@H](NCc1cn(C)nc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000602850057 359237886 /nfs/dbraw/zinc/23/78/86/359237886.db2.gz MPPNBPFKPRPJDM-CYBMUJFWSA-N 0 3 308.382 1.771 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C)[C@H](C(C)(C)C)C1 ZINC000602873307 359257417 /nfs/dbraw/zinc/25/74/17/359257417.db2.gz IVTBKGYKECRNED-ZDUSSCGKSA-N 0 3 309.414 1.762 20 5 DDBDHN C[C@@H](C(=O)N[C@@H](CO)CN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000603053792 359378673 /nfs/dbraw/zinc/37/86/73/359378673.db2.gz SJTOHIYZWDQHSM-TZMCWYRMSA-N 0 3 321.377 1.271 20 5 DDBDHN CN(C)C(=O)CCCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962522 359325147 /nfs/dbraw/zinc/32/51/47/359325147.db2.gz LPMYRGKRNDTNIS-OAHLLOKOSA-N 0 3 309.366 1.260 20 5 DDBDHN Cc1nn(CCC(=O)N(C)CCN(C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000186767136 200007519 /nfs/dbraw/zinc/00/75/19/200007519.db2.gz NEGIUSZWRZYVQV-UHFFFAOYSA-N 0 3 323.397 1.351 20 5 DDBDHN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)CN1 ZINC000237438885 202265056 /nfs/dbraw/zinc/26/50/56/202265056.db2.gz GNCJUCVYANRARE-NXEZZACHSA-N 0 3 311.769 2.000 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000609478984 360311675 /nfs/dbraw/zinc/31/16/75/360311675.db2.gz AHTAGLBHKYBWAI-NSHDSACASA-N 0 3 321.381 1.485 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CCS(=O)(=O)C1 ZINC000610798378 360539838 /nfs/dbraw/zinc/53/98/38/360539838.db2.gz YNEGUSPLHCJQFX-NWDGAFQWSA-N 0 3 312.391 1.989 20 5 DDBDHN CN(C)C[C@]1(O)CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000619253610 363946522 /nfs/dbraw/zinc/94/65/22/363946522.db2.gz AVHBNQLVOOGYLJ-MRXNPFEDSA-N 0 3 321.377 1.052 20 5 DDBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000619578848 364070900 /nfs/dbraw/zinc/07/09/00/364070900.db2.gz SAORSRHOXZELHL-LLVKDONJSA-N 0 3 309.370 1.193 20 5 DDBDHN COC(=O)c1cc(NC(=O)CNCC2CC2)cc([N+](=O)[O-])c1 ZINC000262600590 203346539 /nfs/dbraw/zinc/34/65/39/203346539.db2.gz BVECFOXXSCNQQC-UHFFFAOYSA-N 0 3 307.306 1.320 20 5 DDBDHN C[C@@H](N[C@@H](C)CN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173399885 296146926 /nfs/dbraw/zinc/14/69/26/296146926.db2.gz VAEBQHUEWHQDFD-UONOGXRCSA-N 0 3 306.410 1.881 20 5 DDBDHN COc1cc(C(=O)NC[C@H](C)N(C)C)cc([N+](=O)[O-])c1OC ZINC000266118487 205113015 /nfs/dbraw/zinc/11/30/15/205113015.db2.gz XXBIEQIUUKKYIG-VIFPVBQESA-N 0 3 311.338 1.292 20 5 DDBDHN CN(CCCn1ccnc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271684224 209124851 /nfs/dbraw/zinc/12/48/51/209124851.db2.gz KLFMPZWVTAARAW-OAHLLOKOSA-N 0 3 304.350 1.847 20 5 DDBDHN CC(C)[C@@H](CCO)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000266189647 205171559 /nfs/dbraw/zinc/17/15/59/205171559.db2.gz XWIJFDVNZBZBRH-CQSZACIVSA-N 0 3 310.350 1.958 20 5 DDBDHN COc1ccc(OCCN2CCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000159918913 248313552 /nfs/dbraw/zinc/31/35/52/248313552.db2.gz RUVOMUIPMDZAMS-GFCCVEGCSA-N 0 3 310.350 1.829 20 5 DDBDHN CN(CCCN1CCN(C)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000174719862 248378746 /nfs/dbraw/zinc/37/87/46/248378746.db2.gz JTBDVIKBPWKQSI-UHFFFAOYSA-N 0 3 306.410 1.664 20 5 DDBDHN C[C@@H](CO)[C@H](C)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000274042312 211299072 /nfs/dbraw/zinc/29/90/72/211299072.db2.gz ORNJLDWOWZEJMU-IUCAKERBSA-N 0 3 315.757 1.793 20 5 DDBDHN C[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000105177123 194082148 /nfs/dbraw/zinc/08/21/48/194082148.db2.gz NTOVWQBMERYRCR-GFCCVEGCSA-N 0 3 320.393 1.919 20 5 DDBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285240763 218346933 /nfs/dbraw/zinc/34/69/33/218346933.db2.gz YTCZNHNAMAGKDY-MXWKQRLJSA-N 0 3 309.370 1.414 20 5 DDBDHN O=C(C[C@H]1CNCCO1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000269210130 207329767 /nfs/dbraw/zinc/32/97/67/207329767.db2.gz BPGOTPWFLTYORY-HNNXBMFYSA-N 0 3 321.377 1.412 20 5 DDBDHN CN(C[C@H](O)CN1CCOc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000352708227 285243863 /nfs/dbraw/zinc/24/38/63/285243863.db2.gz FOKFKODTDXQGEJ-HNNXBMFYSA-N 0 3 321.377 1.244 20 5 DDBDHN CN(C)C(=O)CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266570362 407563071 /nfs/dbraw/zinc/56/30/71/407563071.db2.gz CYAOAYOWPZVARJ-UHFFFAOYSA-N 0 3 321.377 1.916 20 5 DDBDHN CN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000068192304 406622101 /nfs/dbraw/zinc/62/21/01/406622101.db2.gz IRKIDPUVMVSMAN-UHFFFAOYSA-N 0 3 307.350 1.526 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CCC(C)CC1 ZINC000046957321 407067818 /nfs/dbraw/zinc/06/78/18/407067818.db2.gz UYLNICJQOJXIFV-UHFFFAOYSA-N 0 3 306.366 1.760 20 5 DDBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000055407958 407203379 /nfs/dbraw/zinc/20/33/79/407203379.db2.gz XOGZHPKFVRGPIG-VXGBXAGGSA-N 0 3 309.370 1.028 20 5 DDBDHN NC(=O)C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055897460 407207807 /nfs/dbraw/zinc/20/78/07/407207807.db2.gz INENGBUYTPXVDX-UHFFFAOYSA-N 0 3 307.350 1.561 20 5 DDBDHN CN(C)[C@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000062984511 407231499 /nfs/dbraw/zinc/23/14/99/407231499.db2.gz ZAPMXCCNWUZMOL-VIFPVBQESA-N 0 3 315.171 1.893 20 5 DDBDHN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000111304116 407406574 /nfs/dbraw/zinc/40/65/74/407406574.db2.gz FIEHOVSTMHHCPZ-MRVPVSSYSA-N 0 3 307.759 1.264 20 5 DDBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000112925420 407447812 /nfs/dbraw/zinc/44/78/12/407447812.db2.gz NSBHRICORPPKQL-UHFFFAOYSA-N 0 3 324.337 1.801 20 5 DDBDHN COC[C@@H]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000266543045 407552968 /nfs/dbraw/zinc/55/29/68/407552968.db2.gz QWAWGEZLDOUFMY-GFCCVEGCSA-N 0 3 310.350 1.951 20 5 DDBDHN COc1cc(C(=O)NC[C@H](C)N(C)C2CC2)ccc1[N+](=O)[O-] ZINC000171104461 407597863 /nfs/dbraw/zinc/59/78/63/407597863.db2.gz CFRIQMDDWBTZLV-JTQLQIEISA-N 0 3 307.350 1.816 20 5 DDBDHN CCc1n[n-]c(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000171397325 407681125 /nfs/dbraw/zinc/68/11/25/407681125.db2.gz FHWBLZNPIBGIQU-JTQLQIEISA-N 0 3 321.337 1.506 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CCC[C@H]2CN2CCCC2)c1[N+](=O)[O-] ZINC000171665967 407735515 /nfs/dbraw/zinc/73/55/15/407735515.db2.gz ARXZETMKNIRIDY-NSHDSACASA-N 0 3 321.381 1.581 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CCC[C@H]2CN2CCCC2)c1[N+](=O)[O-] ZINC000171665967 407735521 /nfs/dbraw/zinc/73/55/21/407735521.db2.gz ARXZETMKNIRIDY-NSHDSACASA-N 0 3 321.381 1.581 20 5 DDBDHN CN1CCC[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000153195447 407776751 /nfs/dbraw/zinc/77/67/51/407776751.db2.gz XBZSQMVLVPEEKY-AWEZNQCLSA-N 0 3 305.378 1.985 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCSC3(CCOCC3)C2)c1 ZINC000186837528 407781594 /nfs/dbraw/zinc/78/15/94/407781594.db2.gz SWWWZSVTJKUCSY-UHFFFAOYSA-N 0 3 312.395 1.389 20 5 DDBDHN O=C(CCN1CCc2n[nH]cc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000118854337 407952870 /nfs/dbraw/zinc/95/28/70/407952870.db2.gz OSZCPDBHFAVUDL-UHFFFAOYSA-N 0 3 315.333 1.705 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268245210 407967119 /nfs/dbraw/zinc/96/71/19/407967119.db2.gz VYBAKZSZCWKZTC-BXKDBHETSA-N 0 3 321.381 1.483 20 5 DDBDHN COC(=O)CNC(=O)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181823068 408043072 /nfs/dbraw/zinc/04/30/72/408043072.db2.gz LROSNFXTEBSZBN-LLVKDONJSA-N 0 3 323.349 1.233 20 5 DDBDHN CN1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000273098088 408056570 /nfs/dbraw/zinc/05/65/70/408056570.db2.gz DQGGPJRCOLHZJQ-CYBMUJFWSA-N 0 3 323.393 1.361 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCN(CC3CC3)CC2)c1 ZINC000136963085 408131208 /nfs/dbraw/zinc/13/12/08/408131208.db2.gz MNJPXUZJHGSNNH-MRXNPFEDSA-N 0 3 305.378 1.656 20 5 DDBDHN COC[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273339201 408157933 /nfs/dbraw/zinc/15/79/33/408157933.db2.gz NIMCEMDYUYQEKH-OLZOCXBDSA-N 0 3 310.350 1.303 20 5 DDBDHN CCOCCN(CC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273346896 408163399 /nfs/dbraw/zinc/16/33/99/408163399.db2.gz OROZCSRQEZFXAE-CYBMUJFWSA-N 0 3 312.366 1.693 20 5 DDBDHN CC(C)N(C)CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000155600730 408187683 /nfs/dbraw/zinc/18/76/83/408187683.db2.gz USXGFZMXALEVJX-UHFFFAOYSA-N 0 3 315.395 1.354 20 5 DDBDHN CCc1n[nH]c(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000263666835 408198581 /nfs/dbraw/zinc/19/85/81/408198581.db2.gz LCJKLHUCUXTDBR-QWRGUYRKSA-N 0 3 323.397 1.731 20 5 DDBDHN COCCCOC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176261921 408326693 /nfs/dbraw/zinc/32/66/93/408326693.db2.gz SFTKEIITASPLKS-UHFFFAOYSA-N 0 3 312.370 1.309 20 5 DDBDHN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCO1 ZINC000183142315 408335099 /nfs/dbraw/zinc/33/50/99/408335099.db2.gz HWPRLAGSQXNNNQ-XHDPSFHLSA-N 0 3 319.361 1.641 20 5 DDBDHN COc1ccc(OCCN2CCC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000173495181 162342976 /nfs/dbraw/zinc/34/29/76/162342976.db2.gz FTUSMSKCRPNSEQ-GFCCVEGCSA-N 0 3 310.350 1.687 20 5 DDBDHN COC[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000183431752 408410867 /nfs/dbraw/zinc/41/08/67/408410867.db2.gz UJJNRZJSSCBYRA-CQSZACIVSA-N 0 3 319.361 1.499 20 5 DDBDHN C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000270045769 408480974 /nfs/dbraw/zinc/48/09/74/408480974.db2.gz BLNUWMBCSQLXOE-AOOOYVTPSA-N 0 3 317.349 1.636 20 5 DDBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H](O)CN1CCCCC1 ZINC000160577996 408499512 /nfs/dbraw/zinc/49/95/12/408499512.db2.gz JGELIFMJUDPDGO-CQSZACIVSA-N 0 3 321.377 1.100 20 5 DDBDHN C[C@@H](CN(C)CCn1cc([N+](=O)[O-])ccc1=O)c1nccs1 ZINC000183927718 408509497 /nfs/dbraw/zinc/50/94/97/408509497.db2.gz LMFATYZBRXUZCH-NSHDSACASA-N 0 3 322.390 1.949 20 5 DDBDHN CO[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000251655659 408783550 /nfs/dbraw/zinc/78/35/50/408783550.db2.gz HTRFWMIFWMOBLC-HEHGZKQESA-N 0 3 324.377 1.691 20 5 DDBDHN COc1cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c([N+](=O)[O-])cc1[O-] ZINC000190347574 163137694 /nfs/dbraw/zinc/13/76/94/163137694.db2.gz JFQXKNXAVCUNMB-GYSYKLTISA-N 0 3 308.334 1.966 20 5 DDBDHN CC(C)(CO)[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000293143476 409058135 /nfs/dbraw/zinc/05/81/35/409058135.db2.gz TVVKBJPDPABXRG-HNNXBMFYSA-N 0 3 321.377 1.920 20 5 DDBDHN COC[C@@H](NCCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000279091238 409147248 /nfs/dbraw/zinc/14/72/48/409147248.db2.gz PIGBTSGQRFHKNK-CABCVRRESA-N 0 3 310.350 1.757 20 5 DDBDHN CN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000283439773 409156255 /nfs/dbraw/zinc/15/62/55/409156255.db2.gz XMQPVWSNADGTDD-UHFFFAOYSA-N 0 3 320.393 1.949 20 5 DDBDHN CN1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)C1 ZINC000294008164 409224364 /nfs/dbraw/zinc/22/43/64/409224364.db2.gz XXFULAHAMASZFU-HNNXBMFYSA-N 0 3 304.350 1.345 20 5 DDBDHN COc1ccc([C@@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000321307689 164043535 /nfs/dbraw/zinc/04/35/35/164043535.db2.gz WGNDFCCWVXDAFU-RISCZKNCSA-N 0 3 320.349 1.512 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCN2CCCC2)c1 ZINC000357567552 164141315 /nfs/dbraw/zinc/14/13/15/164141315.db2.gz DRGPSVSRLXDAAU-UHFFFAOYSA-N 0 3 321.377 1.884 20 5 DDBDHN Cc1n[nH]c(C(=O)N[C@@H](C)CN2CCCCCC2)c1[N+](=O)[O-] ZINC000331466218 409540485 /nfs/dbraw/zinc/54/04/85/409540485.db2.gz HKBDDZUVOVDWRM-JTQLQIEISA-N 0 3 309.370 1.621 20 5 DDBDHN Cc1nc(N2CCN(CC3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000296928878 409708830 /nfs/dbraw/zinc/70/88/30/409708830.db2.gz BAFMJHXYPBDFCE-UHFFFAOYSA-N 0 3 321.381 1.242 20 5 DDBDHN CC(C)N1C[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000342558956 409723010 /nfs/dbraw/zinc/72/30/10/409723010.db2.gz DSUYZFLCFPZAEQ-GWCFXTLKSA-N 0 3 306.366 1.834 20 5 DDBDHN CCN1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000357159512 409911008 /nfs/dbraw/zinc/91/10/08/409911008.db2.gz LEWDVUHQPQHWAF-UHFFFAOYSA-N 0 3 309.341 1.831 20 5 DDBDHN Cc1[nH]nc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346244098 409871394 /nfs/dbraw/zinc/87/13/94/409871394.db2.gz UNHIFFSBEGBRHS-CKYFFXLPSA-N 0 3 321.381 1.429 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346244098 409871402 /nfs/dbraw/zinc/87/14/02/409871402.db2.gz UNHIFFSBEGBRHS-CKYFFXLPSA-N 0 3 321.381 1.429 20 5 DDBDHN Cc1n[nH]c(C(=O)NCc2ccccc2CN(C)C)c1[N+](=O)[O-] ZINC000342854200 409947905 /nfs/dbraw/zinc/94/79/05/409947905.db2.gz ZNADSRPJPZGWCZ-UHFFFAOYSA-N 0 3 317.349 1.618 20 5 DDBDHN COc1ccc(NC(=O)CCN2C[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000351826459 410267268 /nfs/dbraw/zinc/26/72/68/410267268.db2.gz KBFVHADWRBKBPM-YGRLFVJLSA-N 0 3 323.349 1.245 20 5 DDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCN(C)CC1 ZINC000298628178 410321137 /nfs/dbraw/zinc/32/11/37/410321137.db2.gz GUCYLDYTFBQEOG-LBPRGKRZSA-N 0 3 306.366 1.559 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2c2cccnc2)c1 ZINC000346999098 410298833 /nfs/dbraw/zinc/29/88/33/410298833.db2.gz PCXYUSDBCOKDFI-CABCVRRESA-N 0 3 317.349 1.384 20 5 DDBDHN CCc1ccc(C(=O)NC[C@](C)(O)CCN(C)C)cc1[N+](=O)[O-] ZINC000352110375 410487217 /nfs/dbraw/zinc/48/72/17/410487217.db2.gz BSGLUTASBFUULU-MRXNPFEDSA-N 0 3 323.393 1.590 20 5 DDBDHN CCN(CCO)CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347256273 410424929 /nfs/dbraw/zinc/42/49/29/410424929.db2.gz IREHYABOFAFXTO-UHFFFAOYSA-N 0 3 314.317 1.170 20 5 DDBDHN C[C@@H](CN1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000299079980 410511691 /nfs/dbraw/zinc/51/16/91/410511691.db2.gz HAPSXFFRIPEXDP-QWRGUYRKSA-N 0 3 321.381 1.621 20 5 DDBDHN Cc1cccc(C(=O)NCC2(O)CCN(C)CC2)c1[N+](=O)[O-] ZINC000343553064 410527025 /nfs/dbraw/zinc/52/70/25/410527025.db2.gz XGGFAENLZJLKFT-UHFFFAOYSA-N 0 3 307.350 1.090 20 5 DDBDHN CNC(=O)c1ccc(N[C@H]2CCCN(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000343596266 410561365 /nfs/dbraw/zinc/56/13/65/410561365.db2.gz GVJTXWZAQRMWTG-JQWIXIFHSA-N 0 3 306.366 1.849 20 5 DDBDHN CC(C)(C(=O)NCCN1CCCCC1)n1cc([N+](=O)[O-])cn1 ZINC000330440902 410692787 /nfs/dbraw/zinc/69/27/87/410692787.db2.gz OXFSPHIRTLXGAY-UHFFFAOYSA-N 0 3 309.370 1.129 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@]1(N(C)C)CCSC1 ZINC000359545863 410722659 /nfs/dbraw/zinc/72/26/59/410722659.db2.gz KAQQHOYAGOARGS-CYBMUJFWSA-N 0 3 313.427 1.969 20 5 DDBDHN Cc1ccc([C@H](C)NC(=O)C(N)C(F)(F)F)cc1[N+](=O)[O-] ZINC000353010357 410730850 /nfs/dbraw/zinc/73/08/50/410730850.db2.gz IPVWZNXSAACCGH-OIBJUYFYSA-N 0 3 305.256 1.970 20 5 DDBDHN Cc1nc(N2CCN([C@@H]3CCCN(C)C3)CC2)ccc1[N+](=O)[O-] ZINC000301646819 410764086 /nfs/dbraw/zinc/76/40/86/410764086.db2.gz IDUCGJGORMAGMD-CQSZACIVSA-N 0 3 319.409 1.514 20 5 DDBDHN C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000330560760 410778320 /nfs/dbraw/zinc/77/83/20/410778320.db2.gz HVPLTSJTTGJUNV-GHMZBOCLSA-N 0 3 309.370 1.179 20 5 DDBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CN2CCC1CC2 ZINC000347949429 410812530 /nfs/dbraw/zinc/81/25/30/410812530.db2.gz NFBDUQSPYGCLRN-OAHLLOKOSA-N 0 3 303.362 1.690 20 5 DDBDHN COC(=O)COc1ccc(CNC[C@H](C)OC)cc1[N+](=O)[O-] ZINC000353194455 410843045 /nfs/dbraw/zinc/84/30/45/410843045.db2.gz SBURPCXPBJBRSD-JTQLQIEISA-N 0 3 312.322 1.271 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCN(C)CC1 ZINC000340309529 410845765 /nfs/dbraw/zinc/84/57/65/410845765.db2.gz PEHHDWIRJQPZJY-UHFFFAOYSA-N 0 3 306.366 1.479 20 5 DDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)N1CCCC[C@H]1C ZINC000356149518 410864252 /nfs/dbraw/zinc/86/42/52/410864252.db2.gz HCCQAEIFKJKYQX-MNOVXSKESA-N 0 3 309.370 1.321 20 5 DDBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000359997184 410989294 /nfs/dbraw/zinc/98/92/94/410989294.db2.gz ZQRDSJHJFYLBGY-LLVKDONJSA-N 0 3 315.395 1.603 20 5 DDBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356465707 411045566 /nfs/dbraw/zinc/04/55/66/411045566.db2.gz YVFLXXRTUGBDRT-QWRGUYRKSA-N 0 3 309.370 1.179 20 5 DDBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356465703 411046682 /nfs/dbraw/zinc/04/66/82/411046682.db2.gz YVFLXXRTUGBDRT-GHMZBOCLSA-N 0 3 309.370 1.179 20 5 DDBDHN Cc1ccc(C(C)(C)NCCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000353569778 411067678 /nfs/dbraw/zinc/06/76/78/411067678.db2.gz MEBHUCSKLONJBQ-UHFFFAOYSA-N 0 3 316.361 1.985 20 5 DDBDHN C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C)CN1CCO ZINC000419334997 226122188 /nfs/dbraw/zinc/12/21/88/226122188.db2.gz VYAZMLAXPPUEJS-KBPBESRZSA-N 0 3 323.393 1.361 20 5 DDBDHN CN(C)CCNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000360593057 418473674 /nfs/dbraw/zinc/47/36/74/418473674.db2.gz AJYPNABKXLVODE-UHFFFAOYSA-N 0 3 316.361 2.542 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@H](n3cccn3)C2)c1 ZINC000368269709 418712597 /nfs/dbraw/zinc/71/25/97/418712597.db2.gz NADPGSWZQSMRDC-CABCVRRESA-N 0 3 302.334 1.772 20 5 DDBDHN CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000361593756 418689220 /nfs/dbraw/zinc/68/92/20/418689220.db2.gz HICVYHGTKJRNPY-UONOGXRCSA-N 0 3 310.350 1.445 20 5 DDBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000411511615 418910519 /nfs/dbraw/zinc/91/05/19/418910519.db2.gz ZDUDCGUBPACXBA-OAHLLOKOSA-N 0 3 323.349 1.007 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000372973151 418917852 /nfs/dbraw/zinc/91/78/52/418917852.db2.gz JCTIBSAUMWBMQP-WFASDCNBSA-N 0 3 318.377 1.559 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425061556 228358175 /nfs/dbraw/zinc/35/81/75/228358175.db2.gz ZNYYTPDDWHRUFS-QWHCGFSZSA-N 0 3 321.381 1.042 20 5 DDBDHN COC(=O)[C@@H]1CN(C)CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000411915056 419481785 /nfs/dbraw/zinc/48/17/85/419481785.db2.gz YJTQYRONLQBYSL-CQSZACIVSA-N 0 3 321.377 1.174 20 5 DDBDHN Cn1cc(CN[C@H]2C[C@@](C)(O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000418116675 419546729 /nfs/dbraw/zinc/54/67/29/419546729.db2.gz QUQBBWKURGAMER-AKAXFMLLSA-N 0 3 316.361 1.998 20 5 DDBDHN Cc1[nH]nc(C(=O)Nc2cccc(CN(C)C)c2)c1[N+](=O)[O-] ZINC000299492957 229151951 /nfs/dbraw/zinc/15/19/51/229151951.db2.gz AMHLFFDCARBXMA-UHFFFAOYSA-N 0 3 303.322 1.940 20 5 DDBDHN O=C(CN1C[C@H]2CCC[C@@H](C1)N2)Nc1ccccc1[N+](=O)[O-] ZINC000420351889 420228470 /nfs/dbraw/zinc/22/84/70/420228470.db2.gz YDAITYKFUJVAPF-TXEJJXNPSA-N 0 3 304.350 1.360 20 5 DDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000420351587 420229347 /nfs/dbraw/zinc/22/93/47/420229347.db2.gz XKMVRXWEUQQSFB-BNOWGMLFSA-N 0 3 318.377 1.748 20 5 DDBDHN CN(C)C[C@@H](O)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433124557 420247134 /nfs/dbraw/zinc/24/71/34/420247134.db2.gz DFUFHWRUKBKWQV-SWLSCSKDSA-N 0 3 307.394 1.829 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000433775381 420254355 /nfs/dbraw/zinc/25/43/55/420254355.db2.gz QUPDZYUWPHOVHM-LLVKDONJSA-N 0 3 321.381 1.750 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000433775381 420254358 /nfs/dbraw/zinc/25/43/58/420254358.db2.gz QUPDZYUWPHOVHM-LLVKDONJSA-N 0 3 321.381 1.750 20 5 DDBDHN CCc1ccccc1[C@H](N)CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000423938219 420276401 /nfs/dbraw/zinc/27/64/01/420276401.db2.gz ISSIYEGDTGPRBE-LLVKDONJSA-N 0 3 303.322 1.310 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)(C)CN(C)C ZINC000416511800 420402363 /nfs/dbraw/zinc/40/23/63/420402363.db2.gz YXCDNWGEWOZPSG-UHFFFAOYSA-N 0 3 315.395 1.522 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCCS1(=O)=O ZINC000449189794 420966113 /nfs/dbraw/zinc/96/61/13/420966113.db2.gz MUKINCWSOLZKLK-DGCLKSJQSA-N 0 3 312.391 1.693 20 5 DDBDHN C[C@@H]1OCC[C@@]1(C)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000494204578 420999380 /nfs/dbraw/zinc/99/93/80/420999380.db2.gz KMCMUZUERLLSOV-HZUKXOBISA-N 0 3 319.361 1.857 20 5 DDBDHN CC[C@@H]1CN(CCNCc2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000487158059 421007458 /nfs/dbraw/zinc/00/74/58/421007458.db2.gz MCHLTNMGIHXZOU-CQSZACIVSA-N 0 3 323.393 1.804 20 5 DDBDHN CS[C@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@@H]1N1CCCC1 ZINC000548364324 421429179 /nfs/dbraw/zinc/42/91/79/421429179.db2.gz GWFHRJFDVIQJSO-QWRGUYRKSA-N 0 3 311.411 1.344 20 5 DDBDHN CN(C)Cc1ccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1 ZINC000552919191 421596991 /nfs/dbraw/zinc/59/69/91/421596991.db2.gz TWYITDAYBANLPX-UHFFFAOYSA-N 0 3 315.333 1.886 20 5 DDBDHN COc1ccc(CC(=O)N2CCC[C@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000532301080 421654829 /nfs/dbraw/zinc/65/48/29/421654829.db2.gz XIAZERHJOLOSKI-ZDUSSCGKSA-N 0 3 321.377 1.699 20 5 DDBDHN CN(C)[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1ccsc1 ZINC000590571596 422321165 /nfs/dbraw/zinc/32/11/65/422321165.db2.gz SMMYETUMIRMJEG-NSHDSACASA-N 0 3 307.379 2.348 20 5 DDBDHN CNc1nccc(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597923240 422392459 /nfs/dbraw/zinc/39/24/59/422392459.db2.gz NLLFVHQDVNARIQ-SNVBAGLBSA-N 0 3 321.381 1.634 20 5 DDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1ccc([N+](=O)[O-])nc1 ZINC000344444382 272028154 /nfs/dbraw/zinc/02/81/54/272028154.db2.gz YAEIFGITPZMRMW-ZDUSSCGKSA-N 0 3 321.381 1.344 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000345883203 272356719 /nfs/dbraw/zinc/35/67/19/272356719.db2.gz YUHOHHCHOJRLKI-NEPJUHHUSA-N 0 3 323.397 1.479 20 5 DDBDHN COC(=O)[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000346636822 272505354 /nfs/dbraw/zinc/50/53/54/272505354.db2.gz HYRLTIBECBWALE-RYUDHWBXSA-N 0 3 308.334 1.857 20 5 DDBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@@H]1N1CCCC1 ZINC000275831714 278157865 /nfs/dbraw/zinc/15/78/65/278157865.db2.gz OFRMZEQPXRNZIC-NWDGAFQWSA-N 0 3 309.395 1.401 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC3(CCO3)CC2)c1 ZINC000369326427 301165062 /nfs/dbraw/zinc/16/50/62/301165062.db2.gz HMJZGLGKZFTHNN-AWEZNQCLSA-N 0 3 322.361 1.589 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCCC[C@H]2Cn2cccn2)c1 ZINC000369996422 301254661 /nfs/dbraw/zinc/25/46/61/301254661.db2.gz LWPDTHMDDJCBQP-ZDUSSCGKSA-N 0 3 304.354 1.543 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N2CCCN(CCN(C)C)CC2)n1 ZINC000371981720 301516211 /nfs/dbraw/zinc/51/62/11/301516211.db2.gz YVIYTCRCQOJINH-UHFFFAOYSA-N 0 3 307.398 1.372 20 5 DDBDHN C[C@H]1COCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000378286040 302308429 /nfs/dbraw/zinc/30/84/29/302308429.db2.gz JDUYRTKVUSPYRD-GFCCVEGCSA-N 0 3 307.350 1.892 20 5 DDBDHN CC(C)OC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000530686029 303208814 /nfs/dbraw/zinc/20/88/14/303208814.db2.gz APFAOCGOYMQHLH-ZDUSSCGKSA-N 0 3 312.370 1.042 20 5 DDBDHN CC(C)[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000532666417 303292774 /nfs/dbraw/zinc/29/27/74/303292774.db2.gz OIFOLRZKIPGJKT-AWEZNQCLSA-N 0 3 309.366 1.676 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1F ZINC000367275837 307091216 /nfs/dbraw/zinc/09/12/16/307091216.db2.gz YSPQGEICEFKHTD-CVEARBPZSA-N 0 3 323.368 1.765 20 5 DDBDHN CN1CC[C@@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@@H]21 ZINC000375047434 307217919 /nfs/dbraw/zinc/21/79/19/307217919.db2.gz DDQQTRDWIAFFNO-MNOVXSKESA-N 0 3 302.338 1.168 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccc(O)cc2)c1 ZINC000565476559 308031839 /nfs/dbraw/zinc/03/18/39/308031839.db2.gz KVGGRPQAYXHBSH-OAHLLOKOSA-N 0 3 318.329 1.830 20 5 DDBDHN COCc1ccccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000390313569 325781333 /nfs/dbraw/zinc/78/13/33/325781333.db2.gz WCTCLTATWPROPA-OAHLLOKOSA-N 0 3 320.349 1.088 20 5 DDBDHN CC(=O)N1CC(N[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000583703535 337092196 /nfs/dbraw/zinc/09/21/96/337092196.db2.gz AKJOPORSDRFWTR-OLZOCXBDSA-N 0 3 307.354 1.095 20 5 DDBDHN Cc1c(CNC(=O)N2CCN3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000332548289 533853589 /nfs/dbraw/zinc/85/35/89/533853589.db2.gz HVZIYQGBHGPJMT-CQSZACIVSA-N 0 3 318.377 1.893 20 5 DDBDHN Cc1c(CNC(=O)N2CCN3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000332548288 533854755 /nfs/dbraw/zinc/85/47/55/533854755.db2.gz HVZIYQGBHGPJMT-AWEZNQCLSA-N 0 3 318.377 1.893 20 5 DDBDHN C[C@@H]1OCC[C@]1(C)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000494204580 534206994 /nfs/dbraw/zinc/20/69/94/534206994.db2.gz KMCMUZUERLLSOV-PJODQICGSA-N 0 3 319.361 1.857 20 5 DDBDHN O=C(CNc1ccc([N+](=O)[O-])nc1)NCCN1CCCCCC1 ZINC000431510010 534600659 /nfs/dbraw/zinc/60/06/59/534600659.db2.gz XMABQTKLZJQXAN-UHFFFAOYSA-N 0 3 321.381 1.394 20 5 DDBDHN CCNC(=O)C(C)(C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411822838 528035264 /nfs/dbraw/zinc/03/52/64/528035264.db2.gz VJWNNZDDVIFARC-UHFFFAOYSA-N 0 3 322.365 1.428 20 5 DDBDHN CC[C@H](CNS(C)(=O)=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000295025748 529366611 /nfs/dbraw/zinc/36/66/11/529366611.db2.gz LDQAVTAVURHXNH-GFCCVEGCSA-N 0 3 315.395 1.321 20 5 DDBDHN CCCC[N@H+](C)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736452624 598772465 /nfs/dbraw/zinc/77/24/65/598772465.db2.gz GKVZNDWATVHLCT-UHFFFAOYSA-N 0 3 319.369 1.919 20 5 DDBDHN CCCC[N@@H+](C)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736452624 598772467 /nfs/dbraw/zinc/77/24/67/598772467.db2.gz GKVZNDWATVHLCT-UHFFFAOYSA-N 0 3 319.369 1.919 20 5 DDBDHN CCCC[N@H+](C)CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736452624 598772469 /nfs/dbraw/zinc/77/24/69/598772469.db2.gz GKVZNDWATVHLCT-UHFFFAOYSA-N 0 3 319.369 1.919 20 5 DDBDHN CCCC[N@@H+](C)CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736452624 598772470 /nfs/dbraw/zinc/77/24/70/598772470.db2.gz GKVZNDWATVHLCT-UHFFFAOYSA-N 0 3 319.369 1.919 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC(C3CCOCC3)C2)cc1 ZINC000799998804 700179680 /nfs/dbraw/zinc/17/96/80/700179680.db2.gz LZBCIFGXIXPLCJ-INIZCTEOSA-N 0 3 306.362 1.987 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCN(C3CCC3)CC2)cc1 ZINC000776585038 698122165 /nfs/dbraw/zinc/12/21/65/698122165.db2.gz RMSGLNFQLXQLMP-MRXNPFEDSA-N 0 3 305.378 1.798 20 5 DDBDHN CN(C)C[C@H](CO)Nc1cccc(Br)c1[N+](=O)[O-] ZINC000716782149 699284436 /nfs/dbraw/zinc/28/44/36/699284436.db2.gz JUYDVJKPVHMIJN-MRVPVSSYSA-N 0 3 318.171 1.692 20 5 DDBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCN(CCCCO)CC1 ZINC000769396489 701243538 /nfs/dbraw/zinc/24/35/38/701243538.db2.gz LNBYMVUEGOMQBR-ALCCZGGFSA-N 0 3 319.405 1.998 20 5 DDBDHN COC(=O)[C@@]1(C)CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839665960 701772306 /nfs/dbraw/zinc/77/23/06/701772306.db2.gz JJUMYRBMWKJWQP-HOCLYGCPSA-N 0 3 322.361 1.903 20 5 DDBDHN CC(=O)CCc1ccc(OCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102403 702290947 /nfs/dbraw/zinc/29/09/47/702290947.db2.gz QZYQHFMITOHNNN-LLVKDONJSA-N 0 3 309.318 1.795 20 5 DDBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C)[N+](=O)[O-] ZINC000813106837 702294163 /nfs/dbraw/zinc/29/41/63/702294163.db2.gz INGHCNMBPOYRFN-QWRGUYRKSA-N 0 3 300.355 1.622 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@@H]2CNCCO2)n1 ZINC000843187151 702836723 /nfs/dbraw/zinc/83/67/23/702836723.db2.gz MBQBCGPJFKSDGI-LLVKDONJSA-N 0 3 304.306 1.484 20 5 DDBDHN CC([C@@H](OC(=O)CCc1nnc[nH]1)c1ccccc1F)[N+](=O)[O-] ZINC000845873865 703211491 /nfs/dbraw/zinc/21/14/91/703211491.db2.gz DZPWRQWGLAJCNS-YMTOWFKASA-N 0 3 322.296 1.826 20 5 DDBDHN CC(=O)N1CC(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000845883470 703212347 /nfs/dbraw/zinc/21/23/47/703212347.db2.gz SXMKHLYKKNYZKJ-XPTSAGLGSA-N 0 3 324.308 1.554 20 5 DDBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC(=O)N(C)C1 ZINC000846920836 703351835 /nfs/dbraw/zinc/35/18/35/703351835.db2.gz OHDNONXBUJAWFG-UONOGXRCSA-N 0 3 307.350 1.181 20 5 DDBDHN CC(C)(O)CN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000869786176 703853530 /nfs/dbraw/zinc/85/35/30/703853530.db2.gz VJALKVSLCUHXSM-LBPRGKRZSA-N 0 3 307.350 1.170 20 5 DDBDHN O=C1CC[C@@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]2N1 ZINC000852495441 704062005 /nfs/dbraw/zinc/06/20/05/704062005.db2.gz KXFFXVZGFSMXHA-YUELXQCFSA-N 0 3 319.361 1.229 20 5 DDBDHN O=C1CC[C@@H]2CN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1 ZINC000852495720 704062234 /nfs/dbraw/zinc/06/22/34/704062234.db2.gz MTMYJOHZMGXXQE-SNPRPXQTSA-N 0 3 319.361 1.229 20 5 DDBDHN Cc1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c(=O)n1C ZINC000819270411 704098126 /nfs/dbraw/zinc/09/81/26/704098126.db2.gz YOJZMXASWJFWAU-OAHLLOKOSA-N 0 3 317.345 1.425 20 5 DDBDHN CN(CC1CN(C)C1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000853553953 704267284 /nfs/dbraw/zinc/26/72/84/704267284.db2.gz WTJBWBZOSHPGOG-UHFFFAOYSA-N 0 3 315.377 1.909 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000824657290 705500842 /nfs/dbraw/zinc/50/08/42/705500842.db2.gz CHQXJGJTDFBRDW-NSHDSACASA-N 0 3 309.370 1.089 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000826970468 705903021 /nfs/dbraw/zinc/90/30/21/705903021.db2.gz MPINPKCLVFHPEF-HCKVZZMMSA-N 0 3 319.361 1.370 20 5 DDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000836849441 707529532 /nfs/dbraw/zinc/52/95/32/707529532.db2.gz PWNYCWPEPGOKEF-XHDPSFHLSA-N 0 3 318.377 1.437 20 5 DDBDHN Cc1c(CNC[C@H]2COC3(CCOCC3)O2)cccc1[N+](=O)[O-] ZINC000873102291 707732733 /nfs/dbraw/zinc/73/27/33/707732733.db2.gz IYYCZZXJGRTATE-AWEZNQCLSA-N 0 3 322.361 1.915 20 5 DDBDHN CS(=O)(=O)[C@H]1C[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000883378973 707987691 /nfs/dbraw/zinc/98/76/91/707987691.db2.gz HSFDICBPOVUDGD-SKTRJTJASA-N 0 3 310.375 1.773 20 5 DDBDHN O=C1NCCN1CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000886744763 708833286 /nfs/dbraw/zinc/83/32/86/708833286.db2.gz GFODOIVVQYSJSD-CQSZACIVSA-N 0 3 304.350 1.587 20 5 DDBDHN CC(COC(=O)CC1CCN(CC(F)(F)F)CC1)[N+](=O)[O-] ZINC000893045450 710546454 /nfs/dbraw/zinc/54/64/54/710546454.db2.gz XJLYLLQWOBIOLI-VIFPVBQESA-N 0 3 312.288 1.859 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000929090339 713543774 /nfs/dbraw/zinc/54/37/74/713543774.db2.gz BDLYBPKHKQYGKA-MFKMUULPSA-N 0 3 320.349 1.771 20 5 DDBDHN C[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000932346793 714314960 /nfs/dbraw/zinc/31/49/60/714314960.db2.gz KUWZHCYPKDBHCG-OLZOCXBDSA-N 0 3 310.350 1.445 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(CCN(C)C)C1CCCC1 ZINC000932692650 714389792 /nfs/dbraw/zinc/38/97/92/714389792.db2.gz HRUAJBWANQNHQQ-UHFFFAOYSA-N 0 3 323.397 1.433 20 5 DDBDHN NCc1nn(-c2ncnc(Cl)c2[N+](=O)[O-])c2ccccc12 ZINC001167693349 736202775 /nfs/dbraw/zinc/20/27/75/736202775.db2.gz JFNNSXZJIVUHHY-UHFFFAOYSA-N 0 3 304.697 1.836 20 5 DDBDHN Cc1ccc(F)cc1CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031661578 747337619 /nfs/dbraw/zinc/33/76/19/747337619.db2.gz CPWFEMSINOFLMB-HUUCEWRRSA-N 0 3 321.352 1.347 20 5 DDBDHN COCC1(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001131427080 768123463 /nfs/dbraw/zinc/12/34/63/768123463.db2.gz ZLRFIIHQZJSFNP-UHFFFAOYSA-N 0 3 321.377 1.617 20 5 DDBDHN CC(C)N(C)CC(=O)N[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097038003 771590511 /nfs/dbraw/zinc/59/05/11/771590511.db2.gz SWYYOUFUANEYLT-JOCQHMNTSA-N 0 3 320.393 1.994 20 5 DDBDHN CCN(CC)CC(=O)NCCCNc1ncc([N+](=O)[O-])cc1C ZINC001094442258 775879032 /nfs/dbraw/zinc/87/90/32/775879032.db2.gz WBESFOBPXPHWCP-UHFFFAOYSA-N 0 3 323.397 1.558 20 5 DDBDHN Cc1cnc(NCCN(C)C(=O)CN(C)C(C)C)c([N+](=O)[O-])c1 ZINC001101657858 777355065 /nfs/dbraw/zinc/35/50/65/777355065.db2.gz UQLUQNPMWKMHGZ-UHFFFAOYSA-N 0 3 323.397 1.509 20 5 DDBDHN CCC1(CC)CNC(=O)[C@@H]1NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001176451400 778152590 /nfs/dbraw/zinc/15/25/90/778152590.db2.gz BVNORIWTKUKFOB-KBPBESRZSA-N 0 3 321.377 1.523 20 5 DDBDHN CN(C)C[C@@H](CO)Nc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001119958773 781699059 /nfs/dbraw/zinc/69/90/59/781699059.db2.gz KLNSSEDJKXXMPD-JTQLQIEISA-N 0 3 308.313 1.038 20 5 DDBDHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cocn1 ZINC001268438482 840187631 /nfs/dbraw/zinc/18/76/31/840187631.db2.gz IVROSVRXCWKYOL-UHFFFAOYSA-N 0 3 318.333 1.835 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC001154175190 860842226 /nfs/dbraw/zinc/84/22/26/860842226.db2.gz ITRURYSMXAPVDZ-UHFFFAOYSA-N 0 3 314.345 1.900 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1ccccc1 ZINC001154230599 860901040 /nfs/dbraw/zinc/90/10/40/860901040.db2.gz SGOFMZHFCVEDPY-UHFFFAOYSA-N 0 3 317.349 1.238 20 5 DDBDHN Cc1cc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)no1 ZINC001154434415 861099957 /nfs/dbraw/zinc/09/99/57/861099957.db2.gz ZEFGZUHCEHNLDZ-UHFFFAOYSA-N 0 3 324.362 1.862 20 5 DDBDHN CN1CCC[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@H]21 ZINC001157271042 863700899 /nfs/dbraw/zinc/70/08/99/863700899.db2.gz HGXSPGPUIWXBTK-GXSJLCMTSA-N 0 3 312.757 1.412 20 5 DDBDHN C[C@@H](Nc1nccc2ccc([N+](=O)[O-])cc21)[C@H]1CNCCO1 ZINC001159497468 865352242 /nfs/dbraw/zinc/35/22/42/865352242.db2.gz IHEKKYNQXGUFDZ-QMTHXVAHSA-N 0 3 302.334 1.932 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1C[C@H]1C(F)(F)F ZINC001335412608 868278884 /nfs/dbraw/zinc/27/88/84/868278884.db2.gz PVXBVBIRIPWEOO-OPRDCNLKSA-N 0 3 320.267 1.875 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCN(C)CCO ZINC001310687923 871645644 /nfs/dbraw/zinc/64/56/44/871645644.db2.gz CFXGFLVJEJICMB-UHFFFAOYSA-N 0 3 310.354 1.257 20 5 DDBDHN COC(=O)c1ccc(CO[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC001223413081 880951682 /nfs/dbraw/zinc/95/16/82/880951682.db2.gz ILRIEJCUYIUGRM-ZDUSSCGKSA-N 0 3 308.334 1.992 20 5 DDBDHN OC[C@H]1CN(Cc2ccc3ccc4cccnc4c3n2)C[C@H]1O ZINC001232219393 886165237 /nfs/dbraw/zinc/16/52/37/886165237.db2.gz TZIRRFBKKKXJGR-GDBMZVCRSA-N 0 3 309.369 1.568 20 5 DDBDHN COc1nccc(CN[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254577601 896511301 /nfs/dbraw/zinc/51/13/01/896511301.db2.gz FWWOMOADWWEAMA-ZDUSSCGKSA-N 0 3 300.318 1.650 20 5 DDBDHN C[C@]1(CO)CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1O ZINC001254592066 896521430 /nfs/dbraw/zinc/52/14/30/896521430.db2.gz ABVXNTGSQXHNHO-ARFHVFGLSA-N 0 3 306.362 1.127 20 5 DDBDHN COc1ccc(CC(=O)N2[C@H](C)CN[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC001263201400 900530439 /nfs/dbraw/zinc/53/04/39/900530439.db2.gz DTPGHCUYBQIKSR-IJLUTSLNSA-N 0 3 321.377 1.743 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000425060097 529465910 /nfs/dbraw/zinc/46/59/10/529465910.db2.gz UJUOQJMRRSUWFL-GXSJLCMTSA-N 0 3 307.354 1.047 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000425060097 529465911 /nfs/dbraw/zinc/46/59/11/529465911.db2.gz UJUOQJMRRSUWFL-GXSJLCMTSA-N 0 3 307.354 1.047 20 5 DDBDHN CO[C@]1(C)C[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000090551325 185302799 /nfs/dbraw/zinc/30/27/99/185302799.db2.gz FCFXUGVRJZIKLR-XJKSGUPXSA-N 0 3 323.393 1.892 20 5 DDBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000181562094 199318279 /nfs/dbraw/zinc/31/82/79/199318279.db2.gz ZGOFVNJCMWRHLN-QWHCGFSZSA-N 0 3 310.350 1.445 20 5 DDBDHN CN(C)c1ccccc1CN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000288998624 282300248 /nfs/dbraw/zinc/30/02/48/282300248.db2.gz MECVVPGRVRWLOJ-UHFFFAOYSA-N 0 3 303.366 1.989 20 5 DDBDHN CN(C)CC1(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000341965887 282521981 /nfs/dbraw/zinc/52/19/81/282521981.db2.gz QMPGPQLANAFMEQ-UHFFFAOYSA-N 0 3 309.341 1.877 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCc3cn[nH]c3)C2)nc1 ZINC000459386772 233152846 /nfs/dbraw/zinc/15/28/46/233152846.db2.gz YOMQYNYVMYDKKM-LBPRGKRZSA-N 0 3 302.338 1.442 20 5 DDBDHN CCN1CCC[C@@H]1CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000287185899 219366470 /nfs/dbraw/zinc/36/64/70/219366470.db2.gz ZTZHNFFVWLFDRG-SNVBAGLBSA-N 0 3 308.338 1.673 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000287215538 219384953 /nfs/dbraw/zinc/38/49/53/219384953.db2.gz OBCFQJBAFFXZFY-NSHDSACASA-N 0 3 317.349 1.460 20 5 DDBDHN COCCN(C)CCCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000043147332 352363032 /nfs/dbraw/zinc/36/30/32/352363032.db2.gz GCKHWEUJHSZDSI-UHFFFAOYSA-N 0 3 324.381 1.993 20 5 DDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(C2CC2)C1 ZINC000057553760 352820358 /nfs/dbraw/zinc/82/03/58/352820358.db2.gz AUURCQFOPPDLOT-GFCCVEGCSA-N 0 3 318.377 1.750 20 5 DDBDHN CCCN1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000078251325 353506805 /nfs/dbraw/zinc/50/68/05/353506805.db2.gz UQMKEMRIIOUGJF-UHFFFAOYSA-N 0 3 306.366 1.616 20 5 DDBDHN Cc1nn(C)c(N2CCCN(C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000077990254 353500362 /nfs/dbraw/zinc/50/03/62/353500362.db2.gz VHYHPNPZRIZJPZ-UHFFFAOYSA-N 0 3 323.397 1.328 20 5 DDBDHN Cc1ccc([C@@H](C)NC[C@H](O)CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000089514840 353774515 /nfs/dbraw/zinc/77/45/15/353774515.db2.gz RNHIHAXAYDNYNE-OCCSQVGLSA-N 0 3 321.377 1.537 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCN(CC3CC3)C2)n1 ZINC000587973721 354888067 /nfs/dbraw/zinc/88/80/67/354888067.db2.gz XVYBWTYTNUQCFN-NSHDSACASA-N 0 3 320.349 1.673 20 5 DDBDHN Nc1cc(N2CC[C@@H](N3CC=CC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587985951 354888730 /nfs/dbraw/zinc/88/87/30/354888730.db2.gz UAFBLRBNVAYGSV-GFCCVEGCSA-N 0 3 304.350 1.120 20 5 DDBDHN CC(C)c1ccc(C(=O)N[C@H](CO)CN(C)C)cc1[N+](=O)[O-] ZINC000588866594 354944586 /nfs/dbraw/zinc/94/45/86/354944586.db2.gz NARHVQDZGOHHHW-LBPRGKRZSA-N 0 3 309.366 1.371 20 5 DDBDHN Cc1c(C(=O)N[C@@H](CO)CN2CCCC2)cccc1[N+](=O)[O-] ZINC000588869969 354945255 /nfs/dbraw/zinc/94/52/55/354945255.db2.gz RJRIQKSKXASKPN-GFCCVEGCSA-N 0 3 307.350 1.090 20 5 DDBDHN CC(C)[C@H](CO)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000588928615 354949468 /nfs/dbraw/zinc/94/94/68/354949468.db2.gz ZOMCXEWGYGIPQX-LBPRGKRZSA-N 0 3 310.350 1.720 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@@H]2C1 ZINC000590044697 355042449 /nfs/dbraw/zinc/04/24/49/355042449.db2.gz MFTWICXGYRRWNP-BXUZGUMPSA-N 0 3 314.345 1.852 20 5 DDBDHN COc1ccc(CC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590044224 355042583 /nfs/dbraw/zinc/04/25/83/355042583.db2.gz ISKOCPSNGZIHLT-OCCSQVGLSA-N 0 3 319.361 1.308 20 5 DDBDHN C[C@H](C(=O)N1CC[C@H]2CN(C)C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000590045624 355043154 /nfs/dbraw/zinc/04/31/54/355043154.db2.gz SKKDWERJXVPTKH-WHOFXGATSA-N 0 3 303.362 1.861 20 5 DDBDHN CCn1cc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000591766539 355380837 /nfs/dbraw/zinc/38/08/37/355380837.db2.gz FTBRXXOFBURZOO-CYBMUJFWSA-N 0 3 320.349 1.341 20 5 DDBDHN C[C@@H]1CC2(CN1CCn1cc([N+](=O)[O-])ccc1=O)CCOCC2 ZINC000592184685 355528432 /nfs/dbraw/zinc/52/84/32/355528432.db2.gz SGBIOHBLPJDEMG-CYBMUJFWSA-N 0 3 321.377 1.648 20 5 DDBDHN NC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)Cc2ccccc2C1 ZINC000592953230 355749992 /nfs/dbraw/zinc/74/99/92/355749992.db2.gz TUAIAOSMFLVGEI-UHFFFAOYSA-N 0 3 323.352 1.980 20 5 DDBDHN COC[C@@H]1C[C@@H](O)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593064987 355784983 /nfs/dbraw/zinc/78/49/83/355784983.db2.gz VLCKHGDNBKUVJI-UONOGXRCSA-N 0 3 323.349 1.005 20 5 DDBDHN CN(CCN1CCCCC1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000593516055 355909889 /nfs/dbraw/zinc/90/98/89/355909889.db2.gz LNWFEZMGBDBDDS-UHFFFAOYSA-N 0 3 307.354 1.011 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593519675 355912149 /nfs/dbraw/zinc/91/21/49/355912149.db2.gz AOBQPXFRMSGWTM-QMTHXVAHSA-N 0 3 321.352 1.875 20 5 DDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCN(CC2CC2)C1 ZINC000593455561 355890526 /nfs/dbraw/zinc/89/05/26/355890526.db2.gz WEWXEMXIJMKCMV-CQSZACIVSA-N 0 3 321.352 1.877 20 5 DDBDHN NC[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000594450795 356221956 /nfs/dbraw/zinc/22/19/56/356221956.db2.gz TYDBMGKURJPHKC-SECBINFHSA-N 0 3 323.296 1.693 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCNCc2cnn3c2CCC3)cc1 ZINC000594928409 356357347 /nfs/dbraw/zinc/35/73/47/356357347.db2.gz YMCFLHCQNYHHGG-UHFFFAOYSA-N 0 3 302.334 1.906 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@]2(O)C[C@H]2C1 ZINC000595756048 356637722 /nfs/dbraw/zinc/63/77/22/356637722.db2.gz CLCKXVTXSKVLDJ-BLLLJJGKSA-N 0 3 319.361 1.689 20 5 DDBDHN CS[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@@H]1N1CCCC1 ZINC000596194927 356809425 /nfs/dbraw/zinc/80/94/25/356809425.db2.gz IHJJXTPRKLLWGV-RYUDHWBXSA-N 0 3 323.422 1.588 20 5 DDBDHN CC(C)(C)N1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000597925366 357385039 /nfs/dbraw/zinc/38/50/39/357385039.db2.gz NVQHULWRXQKFFS-GFCCVEGCSA-N 0 3 321.377 1.963 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000598341378 357543881 /nfs/dbraw/zinc/54/38/81/357543881.db2.gz ADCAFGLKQWERSU-GFCCVEGCSA-N 0 3 309.370 1.090 20 5 DDBDHN CCOc1cc(CN(C)[C@H]2C[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000599651376 358008339 /nfs/dbraw/zinc/00/83/39/358008339.db2.gz GLHYKGCNFYALPO-TXEJJXNPSA-N 0 3 307.350 1.689 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CO[C@H](C2CC2)C1 ZINC000600759491 358309746 /nfs/dbraw/zinc/30/97/46/358309746.db2.gz ZNVKKOGIDTZNNF-IOASZLSFSA-N 0 3 322.361 1.492 20 5 DDBDHN CN(C)C[C@H]1CCCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601127427 358413552 /nfs/dbraw/zinc/41/35/52/358413552.db2.gz GHIOEKZEXONZKA-MRVPVSSYSA-N 0 3 321.303 1.878 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@](C)(CO)c1ccccc1 ZINC000602775655 359181678 /nfs/dbraw/zinc/18/16/78/359181678.db2.gz LODLMNCJQIEJJQ-OAHLLOKOSA-N 0 3 304.350 1.597 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(c2c[nH]cn2)CC1 ZINC000602793822 359196323 /nfs/dbraw/zinc/19/63/23/359196323.db2.gz RTNOAKCKXHIAGD-UHFFFAOYSA-N 0 3 304.354 1.702 20 5 DDBDHN Cc1c(CN2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000602726434 359151547 /nfs/dbraw/zinc/15/15/47/359151547.db2.gz WQMCXADCVWAZBL-HOTGVXAUSA-N 0 3 317.345 1.388 20 5 DDBDHN CCN1[C@H](C)CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000602874811 359257564 /nfs/dbraw/zinc/25/75/64/359257564.db2.gz RXDOQPQAVRNISH-TXEJJXNPSA-N 0 3 320.393 1.608 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1CCCn2nccc21 ZINC000603028327 359369523 /nfs/dbraw/zinc/36/95/23/359369523.db2.gz DQLDYKYCUWNPEQ-GFCCVEGCSA-N 0 3 303.322 1.078 20 5 DDBDHN CN(CCN(C)C1CC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000186782832 200009406 /nfs/dbraw/zinc/00/94/06/200009406.db2.gz XOESCZNWQSUUFI-UHFFFAOYSA-N 0 3 306.366 1.559 20 5 DDBDHN Cn1cc(CN2CCc3ccccc3[C@H]2CN)c([N+](=O)[O-])n1 ZINC000603428594 359635113 /nfs/dbraw/zinc/63/51/13/359635113.db2.gz KDCMRKLFVQNFBW-CQSZACIVSA-N 0 3 301.350 1.386 20 5 DDBDHN Cc1ccc(CNCCCN(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000603633186 359669076 /nfs/dbraw/zinc/66/90/76/359669076.db2.gz KLKQGHOBMOMEDR-UHFFFAOYSA-N 0 3 315.395 1.274 20 5 DDBDHN COc1cc(CNC[C@@H]2CC[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000188836554 200309538 /nfs/dbraw/zinc/30/95/38/200309538.db2.gz IZJOCZYUPDMLSO-PWSUYJOCSA-N 0 3 310.350 1.863 20 5 DDBDHN CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000609631760 360339904 /nfs/dbraw/zinc/33/99/04/360339904.db2.gz VPCPNGQEWWRJNU-CYBMUJFWSA-N 0 3 321.377 1.916 20 5 DDBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H](O)C1CC1 ZINC000610572866 360473626 /nfs/dbraw/zinc/47/36/26/360473626.db2.gz PCWYNLYEAVHLFY-DZGCQCFKSA-N 0 3 310.350 1.037 20 5 DDBDHN CO[C@]1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCOC1 ZINC000613108148 361270431 /nfs/dbraw/zinc/27/04/31/361270431.db2.gz LZNCJOSJQQMBAL-HNNXBMFYSA-N 0 3 324.333 1.261 20 5 DDBDHN CCN1CCN(C[C@H](C)CNc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193389463 201043111 /nfs/dbraw/zinc/04/31/11/201043111.db2.gz LJCNPWNMZRQJME-CYBMUJFWSA-N 0 3 321.425 1.863 20 5 DDBDHN O=[N+]([O-])c1cccc(CN2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000195198595 201358807 /nfs/dbraw/zinc/35/88/07/201358807.db2.gz RRGVGUMAVNWAEA-HNNXBMFYSA-N 0 3 305.378 1.749 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC1CC(N2CCCCC2)C1 ZINC000619451589 364018646 /nfs/dbraw/zinc/01/86/46/364018646.db2.gz ALZSESQQHMBLKT-UHFFFAOYSA-N 0 3 307.354 1.075 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1Nc1cnn(CCN(C)C)c1 ZINC000619479148 364029530 /nfs/dbraw/zinc/02/95/30/364029530.db2.gz XTRGVQMYZHYYKU-UHFFFAOYSA-N 0 3 307.358 1.621 20 5 DDBDHN Cc1cc([C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1F ZINC000271829090 209249894 /nfs/dbraw/zinc/24/98/94/209249894.db2.gz WIYMFCIDTLFXLO-BXUZGUMPSA-N 0 3 322.340 1.951 20 5 DDBDHN CCCc1n[nH]c(C(=O)NCCN(CC)C2CC2)c1[N+](=O)[O-] ZINC000264649479 204053855 /nfs/dbraw/zinc/05/38/55/204053855.db2.gz DXNVZELMKTUDGG-UHFFFAOYSA-N 0 3 309.370 1.485 20 5 DDBDHN C[C@H](NCC1(OCCO)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000282728164 217205775 /nfs/dbraw/zinc/20/57/75/217205775.db2.gz MJWIPSOJMNDENV-ZDUSSCGKSA-N 0 3 324.377 1.804 20 5 DDBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)NCCF ZINC000282750708 217224398 /nfs/dbraw/zinc/22/43/98/217224398.db2.gz NTERRHPYADZKCL-NEPJUHHUSA-N 0 3 311.357 1.980 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CCN(C)C)CC2)c1 ZINC000266020549 205032927 /nfs/dbraw/zinc/03/29/27/205032927.db2.gz JSGPWUKQVGNDAD-UHFFFAOYSA-N 0 3 320.393 1.223 20 5 DDBDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000266268664 205226578 /nfs/dbraw/zinc/22/65/78/205226578.db2.gz AZILPVGSHVAWJW-WOPDTQHZSA-N 0 3 307.350 1.936 20 5 DDBDHN COCCN(CCN(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000104977026 194061182 /nfs/dbraw/zinc/06/11/82/194061182.db2.gz HKUMYRNROPDGST-UHFFFAOYSA-N 0 3 324.381 1.945 20 5 DDBDHN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCN1C[C@@H](C)O ZINC000105825353 194137518 /nfs/dbraw/zinc/13/75/18/194137518.db2.gz ZLMUXWNHUOOKLZ-UKRRQHHQSA-N 0 3 307.394 1.872 20 5 DDBDHN Cc1ccc(CNC[C@H]2CN(C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000106379924 194203332 /nfs/dbraw/zinc/20/33/32/194203332.db2.gz CAPBBKPBVSPGMX-HNNXBMFYSA-N 0 3 305.378 1.856 20 5 DDBDHN CCc1nn(C)c(N2C[C@@H](N(C)C)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000340753730 251194261 /nfs/dbraw/zinc/19/42/61/251194261.db2.gz MNYDTHMSHUQLOI-MNOVXSKESA-N 0 3 313.427 1.373 20 5 DDBDHN C[C@H]1C[C@@H](O)CN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000340921067 251277956 /nfs/dbraw/zinc/27/79/56/251277956.db2.gz XLEBANITEIXGNR-CMPLNLGQSA-N 0 3 321.333 1.348 20 5 DDBDHN COC(=O)[C@@](C)(O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547223 533095543 /nfs/dbraw/zinc/09/55/43/533095543.db2.gz KOXZQPCGCBWWTQ-CJNGLKHVSA-N 0 3 322.361 1.698 20 5 DDBDHN COc1cc(CN(C)C[C@H]2CCN(C(C)=O)C2)ccc1[N+](=O)[O-] ZINC000352765925 285286091 /nfs/dbraw/zinc/28/60/91/285286091.db2.gz APMYHTHAQWMQFV-CQSZACIVSA-N 0 3 321.377 1.904 20 5 DDBDHN C[C@@H]1C[C@@H](O)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000452072015 533673389 /nfs/dbraw/zinc/67/33/89/533673389.db2.gz TWVVAQHRBWQYIP-UPJWGTAASA-N 0 3 310.350 1.037 20 5 DDBDHN CCN(CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000060992223 407227333 /nfs/dbraw/zinc/22/73/33/407227333.db2.gz ZFEXSGFGZVLWAK-UHFFFAOYSA-N 0 3 320.393 1.585 20 5 DDBDHN C[C@H](NC(=O)NC[C@@](C)(O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000122612937 407306066 /nfs/dbraw/zinc/30/60/66/407306066.db2.gz DRIIMBLPBCGFDU-XHDPSFHLSA-N 0 3 324.381 1.268 20 5 DDBDHN C[C@@H]1OCC[C@@]1(O)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000227966835 407640815 /nfs/dbraw/zinc/64/08/15/407640815.db2.gz GJRWTJZLXKFACD-TVQRCGJNSA-N 0 3 300.742 1.878 20 5 DDBDHN C[C@@H](NCCCN1CCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000266820970 407648462 /nfs/dbraw/zinc/64/84/62/407648462.db2.gz ZDLAJTJCQAGOIE-IUODEOHRSA-N 0 3 320.393 1.585 20 5 DDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000115435570 407680642 /nfs/dbraw/zinc/68/06/42/407680642.db2.gz PPDZJVOHHBJMFH-GFCCVEGCSA-N 0 3 323.397 1.327 20 5 DDBDHN O=C(NC[C@@H]1NCCc2ccccc21)c1cc([N+](=O)[O-])c[nH]1 ZINC000262545432 407861568 /nfs/dbraw/zinc/86/15/68/407861568.db2.gz RRAQKCGCVBWXSP-AWEZNQCLSA-N 0 3 300.318 1.540 20 5 DDBDHN CC(=O)NCCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173472825 407880813 /nfs/dbraw/zinc/88/08/13/407880813.db2.gz WZRBFZVCFLVUER-LBPRGKRZSA-N 0 3 307.354 1.002 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CN1C1CC1 ZINC000180854385 407925068 /nfs/dbraw/zinc/92/50/68/407925068.db2.gz XSNCBTBHPRGMNV-UWVGGRQHSA-N 0 3 304.350 1.532 20 5 DDBDHN CNC(=O)c1ccc(N[C@@H]2CN(C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000268171916 407925825 /nfs/dbraw/zinc/92/58/25/407925825.db2.gz QTWXJGVYMYZILG-QMTHXVAHSA-N 0 3 318.377 1.849 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(CCCO)CC1 ZINC000273048137 408034308 /nfs/dbraw/zinc/03/43/08/408034308.db2.gz YAYOIIHCCVUQOH-UHFFFAOYSA-N 0 3 309.366 1.241 20 5 DDBDHN CN1CCC(CC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000273165909 408088642 /nfs/dbraw/zinc/08/86/42/408088642.db2.gz AUZXCTZXZJZSSR-UHFFFAOYSA-N 0 3 320.393 1.855 20 5 DDBDHN CCN(CCNc1ncc(C(=O)OC)cc1[N+](=O)[O-])C1CC1 ZINC000190171408 408182246 /nfs/dbraw/zinc/18/22/46/408182246.db2.gz APONCDIHUFDLOP-UHFFFAOYSA-N 0 3 308.338 1.673 20 5 DDBDHN C[NH2+]C[C@H](C)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000133216939 162054683 /nfs/dbraw/zinc/05/46/83/162054683.db2.gz IUPPVALKOHTEEF-VIFPVBQESA-N 0 3 315.395 1.345 20 5 DDBDHN CC[C@@](C)(NCCOc1ccc(OC)cc1[N+](=O)[O-])C(N)=O ZINC000133428000 162059052 /nfs/dbraw/zinc/05/90/52/162059052.db2.gz XDASDJZIHYEIIG-CQSZACIVSA-N 0 3 311.338 1.226 20 5 DDBDHN COC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000183437866 408411838 /nfs/dbraw/zinc/41/18/38/408411838.db2.gz IRTWYZRPNTWRGC-CYBMUJFWSA-N 0 3 323.349 1.557 20 5 DDBDHN CSCC[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000159606913 408420350 /nfs/dbraw/zinc/42/03/50/408420350.db2.gz IWGMOFHEOTYVJD-CYBMUJFWSA-N 0 3 309.391 1.560 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270490042 408549638 /nfs/dbraw/zinc/54/96/38/408549638.db2.gz OGUYTCVSNYLOLZ-QWHCGFSZSA-N 0 3 309.391 1.712 20 5 DDBDHN C[C@@H](c1ccncc1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270551594 408575199 /nfs/dbraw/zinc/57/51/99/408575199.db2.gz BLHSPPCOVNJLTH-SMDDNHRTSA-N 0 3 305.338 1.240 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)n1 ZINC000248663926 408612358 /nfs/dbraw/zinc/61/23/58/408612358.db2.gz KHRLFCIDMYATHE-VXGBXAGGSA-N 0 3 323.397 1.661 20 5 DDBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270761444 408670366 /nfs/dbraw/zinc/67/03/66/408670366.db2.gz MTKAFFZOLWEBHW-GHMZBOCLSA-N 0 3 309.370 1.179 20 5 DDBDHN CCN1CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000265518331 408680342 /nfs/dbraw/zinc/68/03/42/408680342.db2.gz SJKMUHDUJNXTHX-CYBMUJFWSA-N 0 3 320.393 1.949 20 5 DDBDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000164178076 408795569 /nfs/dbraw/zinc/79/55/69/408795569.db2.gz GDDDNOYPMJEKNM-NSHDSACASA-N 0 3 309.370 1.558 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](O)[C@@H](C)C1 ZINC000249598807 408748869 /nfs/dbraw/zinc/74/88/69/408748869.db2.gz XQEUANFUPUBRKP-SWLSCSKDSA-N 0 3 321.377 1.935 20 5 DDBDHN CN(C)C1(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CCC1 ZINC000276043598 408758328 /nfs/dbraw/zinc/75/83/28/408758328.db2.gz STTZTZIAKKJUOR-UHFFFAOYSA-N 0 3 320.393 1.997 20 5 DDBDHN CC(C)(NC[C@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000292245435 409008396 /nfs/dbraw/zinc/00/83/96/409008396.db2.gz XFEPNIJEGRHLEC-LLVKDONJSA-N 0 3 312.391 1.854 20 5 DDBDHN CCCN(CCN1CCCC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000287466595 409041840 /nfs/dbraw/zinc/04/18/40/409041840.db2.gz SFSCDHMNRMVHTG-UHFFFAOYSA-N 0 3 309.370 1.126 20 5 DDBDHN CCN(CCNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])C1CC1 ZINC000287718405 409080484 /nfs/dbraw/zinc/08/04/84/409080484.db2.gz FSJGDHSNKPQJDU-UHFFFAOYSA-N 0 3 322.365 1.981 20 5 DDBDHN Cc1c(CN(C)[C@H]2CCN3CCO[C@H]2C3)cccc1[N+](=O)[O-] ZINC000295056434 409311421 /nfs/dbraw/zinc/31/14/21/409311421.db2.gz AZFQBNRVCAZILP-HOTGVXAUSA-N 0 3 305.378 1.808 20 5 DDBDHN Cc1ccc(NCCCNC(=O)[C@H](C)NC2CC2)c([N+](=O)[O-])c1 ZINC000295142440 409342116 /nfs/dbraw/zinc/34/21/16/409342116.db2.gz IWTITNJJNMQBQQ-LBPRGKRZSA-N 0 3 320.393 1.962 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCCN2C)n1 ZINC000319331327 164036114 /nfs/dbraw/zinc/03/61/14/164036114.db2.gz RQRARFNGMINGKT-JTQLQIEISA-N 0 3 308.338 1.307 20 5 DDBDHN COc1ccc([C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000321307688 164044386 /nfs/dbraw/zinc/04/43/86/164044386.db2.gz WGNDFCCWVXDAFU-FZMZJTMJSA-N 0 3 320.349 1.512 20 5 DDBDHN COc1c(C(=O)N[C@@H](C)C2=CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000356745533 409570530 /nfs/dbraw/zinc/57/05/30/409570530.db2.gz OJECNHLAZLKMMZ-NSHDSACASA-N 0 3 319.361 1.984 20 5 DDBDHN CCN1CC[C@H](N(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1C ZINC000354405381 409831061 /nfs/dbraw/zinc/83/10/61/409831061.db2.gz UQPXDKDFALEWRQ-JQWIXIFHSA-N 0 3 323.397 1.582 20 5 DDBDHN CN1CC[C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342870933 409962183 /nfs/dbraw/zinc/96/21/83/409962183.db2.gz BXMBYNJVOBLLNZ-JTQLQIEISA-N 0 3 302.334 1.758 20 5 DDBDHN CCC[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CCN1CCOC ZINC000346650303 410058921 /nfs/dbraw/zinc/05/89/21/410058921.db2.gz GLWCVTISFIXVIT-AWEZNQCLSA-N 0 3 308.382 1.927 20 5 DDBDHN C[C@@H](Cn1ccnc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000343156171 410193175 /nfs/dbraw/zinc/19/31/75/410193175.db2.gz DRZFNXCHDUSMIW-VIFPVBQESA-N 0 3 314.305 1.486 20 5 DDBDHN COc1c(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000332671547 410203769 /nfs/dbraw/zinc/20/37/69/410203769.db2.gz ZQYJLPVWNKONAF-RYUDHWBXSA-N 0 3 319.361 1.912 20 5 DDBDHN COC(=O)[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000298776304 410392235 /nfs/dbraw/zinc/39/22/35/410392235.db2.gz DCVSZQLNBCNSEK-LLVKDONJSA-N 0 3 321.333 1.418 20 5 DDBDHN Cn1ccnc1[C@@H]1OCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000343393891 410421361 /nfs/dbraw/zinc/42/13/61/410421361.db2.gz XCROKVNSYLMXEU-UONOGXRCSA-N 0 3 302.334 1.948 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000343441163 410453577 /nfs/dbraw/zinc/45/35/77/410453577.db2.gz BXNVMZSQHMQHPT-RISCZKNCSA-N 0 3 307.350 1.573 20 5 DDBDHN CC(C)(C)CCN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000298866722 410429488 /nfs/dbraw/zinc/42/94/88/410429488.db2.gz SRCBPELQLLIDEI-UHFFFAOYSA-N 0 3 323.397 1.372 20 5 DDBDHN CNC(=O)c1ccc(NC[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000301208213 410674885 /nfs/dbraw/zinc/67/48/85/410674885.db2.gz QSUUCKRHZVLQKG-LLVKDONJSA-N 0 3 306.366 1.708 20 5 DDBDHN Cc1ccnc(NC2CCN([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000301741050 410785668 /nfs/dbraw/zinc/78/56/68/410785668.db2.gz XVNNUORZELPUMF-ZDUSSCGKSA-N 0 3 306.366 1.963 20 5 DDBDHN COC(=O)c1cnc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000302750018 410858460 /nfs/dbraw/zinc/85/84/60/410858460.db2.gz GWKLHYSZFDCPBI-MWLCHTKSSA-N 0 3 320.349 1.814 20 5 DDBDHN CN(C)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])nn2C)c1 ZINC000356145084 410860642 /nfs/dbraw/zinc/86/06/42/410860642.db2.gz FUMXOPCFPDBMKM-UHFFFAOYSA-N 0 3 303.322 1.642 20 5 DDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356319021 410962963 /nfs/dbraw/zinc/96/29/63/410962963.db2.gz YTYLLAMMRNCNDP-WDEREUQCSA-N 0 3 307.354 1.027 20 5 DDBDHN CC[NH+](CC)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000359984590 410984019 /nfs/dbraw/zinc/98/40/19/410984019.db2.gz BRYRDKBPWMYSKE-SECBINFHSA-N 0 3 321.424 1.665 20 5 DDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)C(F)F ZINC000341378141 411029720 /nfs/dbraw/zinc/02/97/20/411029720.db2.gz ZXQFLXCTMANMRG-GZMMTYOYSA-N 0 3 317.292 1.528 20 5 DDBDHN NC(=O)c1ccnc(N2CC[C@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000290531360 221723168 /nfs/dbraw/zinc/72/31/68/221723168.db2.gz HKLUTBPDKNNPOC-NSHDSACASA-N 0 3 319.365 1.153 20 5 DDBDHN NC(=O)c1ccnc(N2CCC[C@H]2CN2CCCC2)c1[N+](=O)[O-] ZINC000290896433 222003419 /nfs/dbraw/zinc/00/34/19/222003419.db2.gz DKVXQOINZUEMQF-NSHDSACASA-N 0 3 319.365 1.153 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000294231590 418583692 /nfs/dbraw/zinc/58/36/92/418583692.db2.gz RNIGAPARVNNCMZ-OAHLLOKOSA-N 0 3 321.381 1.044 20 5 DDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000368046637 418679101 /nfs/dbraw/zinc/67/91/01/418679101.db2.gz RDDKZFFIUJCSFC-IUCAKERBSA-N 0 3 301.705 1.678 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)[C@H](C)[NH3+])cc1C ZINC000381427555 418729394 /nfs/dbraw/zinc/72/93/94/418729394.db2.gz BWOJGLJRNQZPSZ-UWVGGRQHSA-N 0 3 301.368 1.226 20 5 DDBDHN COc1cc(CN(C)C2(CO)CCOCC2)ccc1[N+](=O)[O-] ZINC000362050258 418744837 /nfs/dbraw/zinc/74/48/37/418744837.db2.gz NTOPZQZPADPFTM-UHFFFAOYSA-N 0 3 310.350 1.577 20 5 DDBDHN Nc1nc(N2CCC[C@H](N3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000363395983 418765457 /nfs/dbraw/zinc/76/54/57/418765457.db2.gz OTINLZBHVMNIGE-NSHDSACASA-N 0 3 306.370 1.422 20 5 DDBDHN COc1ccc(CN[C@H](C2CC2)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000422936394 227268292 /nfs/dbraw/zinc/26/82/92/227268292.db2.gz BNIXBNRPQNYNGA-HZPDHXFCSA-N 0 3 321.377 1.460 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000372973150 418917462 /nfs/dbraw/zinc/91/74/62/418917462.db2.gz JCTIBSAUMWBMQP-SWLSCSKDSA-N 0 3 318.377 1.559 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)N(CCO)C[C@H]1C ZINC000418122954 419553576 /nfs/dbraw/zinc/55/35/76/419553576.db2.gz YGKIXUWHGVKXNG-ZIAGYGMSSA-N 0 3 307.394 1.790 20 5 DDBDHN C[C@H]1[NH2+]CCC[C@@H]1[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420251670 420168833 /nfs/dbraw/zinc/16/88/33/420168833.db2.gz XPMLTGJDEJCZRI-SKDRFNHKSA-N 0 3 303.322 2.197 20 5 DDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCNC[C@@](C)(F)C1 ZINC000420339294 420220758 /nfs/dbraw/zinc/22/07/58/420220758.db2.gz SHBLWHNXZCWTJQ-IAQYHMDHSA-N 0 3 324.356 1.555 20 5 DDBDHN Cc1c(CN2CCC3(CNC(=O)N3C)CC2)cccc1[N+](=O)[O-] ZINC000425534980 420412119 /nfs/dbraw/zinc/41/21/19/420412119.db2.gz CCTXKRGJIZBZIP-UHFFFAOYSA-N 0 3 318.377 1.893 20 5 DDBDHN Cc1ccsc1CN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438781967 420465859 /nfs/dbraw/zinc/46/58/59/420465859.db2.gz AAUIHMJDCILHFT-GFCCVEGCSA-N 0 3 310.379 1.654 20 5 DDBDHN CC(C)N1CC[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000457084525 420604942 /nfs/dbraw/zinc/60/49/42/420604942.db2.gz LOJAIMPTDCJHML-AWEZNQCLSA-N 0 3 321.377 1.915 20 5 DDBDHN COc1ccc(OCCN2C[C@H](C)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000452069486 420619420 /nfs/dbraw/zinc/61/94/20/420619420.db2.gz PZPKGFHNALMULA-NEPJUHHUSA-N 0 3 310.350 1.685 20 5 DDBDHN CCN1CC[C@@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493700486 420919306 /nfs/dbraw/zinc/91/93/06/420919306.db2.gz XREIQTVPRSKORQ-DIECRNLCSA-N 0 3 307.325 1.958 20 5 DDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@@](O)(CO)C1 ZINC000459727659 420858638 /nfs/dbraw/zinc/85/86/38/420858638.db2.gz RADGWICRIFVNAM-OIQJVACTSA-N 0 3 306.362 1.817 20 5 DDBDHN CC(COC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000495954044 421102574 /nfs/dbraw/zinc/10/25/74/421102574.db2.gz YQJLRJCEESSANS-RKDXNWHRSA-N 0 3 320.367 1.505 20 5 DDBDHN COCCN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000490065429 421188432 /nfs/dbraw/zinc/18/84/32/421188432.db2.gz WHLRLPIYPYEFKF-CQSZACIVSA-N 0 3 310.350 1.711 20 5 DDBDHN C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)N(C)C1CC1 ZINC000524359403 421258601 /nfs/dbraw/zinc/25/86/01/421258601.db2.gz SUFDPVCYNDQZKS-SECBINFHSA-N 0 3 321.333 1.536 20 5 DDBDHN C[C@@H]1CCN(CCNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000525291585 421285762 /nfs/dbraw/zinc/28/57/62/421285762.db2.gz KMTVASBYQLHLIX-CYBMUJFWSA-N 0 3 320.393 1.855 20 5 DDBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547755797 421363374 /nfs/dbraw/zinc/36/33/74/421363374.db2.gz AFWFOVWHCOSHSN-AXFHLTTASA-N 0 3 309.370 1.414 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C)C[C@H]1CN ZINC000562743618 421409380 /nfs/dbraw/zinc/40/93/80/421409380.db2.gz DCNKVLCQVSDNFE-GFCCVEGCSA-N 0 3 307.354 1.010 20 5 DDBDHN CNc1ccc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000520371551 421748257 /nfs/dbraw/zinc/74/82/57/421748257.db2.gz XGPMTTOAUPVEFC-CYBMUJFWSA-N 0 3 318.377 1.945 20 5 DDBDHN Cc1cc(NC[C@@H](C)S(C)(=O)=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000543979459 421842711 /nfs/dbraw/zinc/84/27/11/421842711.db2.gz MQWCJSQBEATDEJ-SNVBAGLBSA-N 0 3 323.374 1.718 20 5 DDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000575933690 422351521 /nfs/dbraw/zinc/35/15/21/422351521.db2.gz SJKRPOPHRIBXLV-MNOVXSKESA-N 0 3 319.365 1.271 20 5 DDBDHN Nc1ccc(NC[C@@H](c2ccco2)N2CCCC2)nc1[N+](=O)[O-] ZINC000590570271 422320082 /nfs/dbraw/zinc/32/00/82/422320082.db2.gz YEILSNWUJKZOQV-LBPRGKRZSA-N 0 3 317.349 2.414 20 5 DDBDHN CNS(=O)(=O)CCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341573594 271124925 /nfs/dbraw/zinc/12/49/25/271124925.db2.gz MDOPHVRSXLADDS-JTQLQIEISA-N 0 3 301.368 1.185 20 5 DDBDHN CCCN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000342190653 271334416 /nfs/dbraw/zinc/33/44/16/271334416.db2.gz CSIJUHUHLSEZMG-UHFFFAOYSA-N 0 3 309.370 1.276 20 5 DDBDHN C[C@H](N[C@@H](C)[C@H]1CCOC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000266320086 274518849 /nfs/dbraw/zinc/51/88/49/274518849.db2.gz RVGDKYMPBQVQQS-SRVKXCTJSA-N 0 3 307.350 1.936 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000272672220 278000715 /nfs/dbraw/zinc/00/07/15/278000715.db2.gz TYOQGPOYXPPVKK-WDEREUQCSA-N 0 3 321.381 1.608 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000272672220 278000716 /nfs/dbraw/zinc/00/07/16/278000716.db2.gz TYOQGPOYXPPVKK-WDEREUQCSA-N 0 3 321.381 1.608 20 5 DDBDHN CS[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1N(C)C ZINC000278165306 278157464 /nfs/dbraw/zinc/15/74/64/278157464.db2.gz ASWWARPGLORLCY-CHWSQXEVSA-N 0 3 321.406 1.953 20 5 DDBDHN Cn1ccnc1[C@H]1CNCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000261745744 279379575 /nfs/dbraw/zinc/37/95/75/279379575.db2.gz LFMWEERYUZVSND-CQSZACIVSA-N 0 3 319.340 1.614 20 5 DDBDHN COc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000573237152 304585105 /nfs/dbraw/zinc/58/51/05/304585105.db2.gz ZOKCIQOSRPDXLP-CQSZACIVSA-N 0 3 320.349 1.259 20 5 DDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363094665 300209851 /nfs/dbraw/zinc/20/98/51/300209851.db2.gz GGYUPMQZFODIRT-KGLIPLIRSA-N 0 3 320.349 1.580 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCOCC1 ZINC000363379029 300259862 /nfs/dbraw/zinc/25/98/62/300259862.db2.gz JQLNMWGOJHXXRL-UHFFFAOYSA-N 0 3 307.350 1.954 20 5 DDBDHN CCC[C@@H](C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N(C)C ZINC000364366909 300385033 /nfs/dbraw/zinc/38/50/33/300385033.db2.gz AESNPONYBJLGTP-JSGCOSHPSA-N 0 3 323.397 1.685 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc2c1CNCC2 ZINC000375992131 302019961 /nfs/dbraw/zinc/01/99/61/302019961.db2.gz MZFXYFUHHGWTNB-UHFFFAOYSA-N 0 3 315.333 1.384 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(CCN(C)C)CC1 ZINC000298172489 302037729 /nfs/dbraw/zinc/03/77/29/302037729.db2.gz TULYMXFXIGIALE-UHFFFAOYSA-N 0 3 320.393 1.223 20 5 DDBDHN Cc1cc(NC[C@@H]2CNC(=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000398274439 302357734 /nfs/dbraw/zinc/35/77/34/302357734.db2.gz ADDMAMGNOHNCNS-SNVBAGLBSA-N 0 3 300.318 1.421 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCC1(CO)CCOCC1 ZINC000519762241 302853160 /nfs/dbraw/zinc/85/31/60/302853160.db2.gz ASVQRBTWDCFIOZ-CQSZACIVSA-N 0 3 306.362 1.961 20 5 DDBDHN CC(C)[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000531598725 303251247 /nfs/dbraw/zinc/25/12/47/303251247.db2.gz OIFOLRZKIPGJKT-CQSZACIVSA-N 0 3 309.366 1.676 20 5 DDBDHN Cn1cc(C(C)(C)NCCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000546001183 303508010 /nfs/dbraw/zinc/50/80/10/303508010.db2.gz PAXCRTGPYPFGNT-UHFFFAOYSA-N 0 3 305.338 1.015 20 5 DDBDHN COc1ccc(CN[C@@H]2CCc3c[nH]nc3C2)cc1[N+](=O)[O-] ZINC000363938666 307038210 /nfs/dbraw/zinc/03/82/10/307038210.db2.gz PIERUSWZGFHYBY-GFCCVEGCSA-N 0 3 302.334 1.974 20 5 DDBDHN COc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(F)c1 ZINC000573835161 308253034 /nfs/dbraw/zinc/25/30/34/308253034.db2.gz LAZKOANFFOYZJS-GFCCVEGCSA-N 0 3 324.312 1.090 20 5 DDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000576974353 308353819 /nfs/dbraw/zinc/35/38/19/308353819.db2.gz ZDJLATICECYHGE-JTQLQIEISA-N 0 3 321.333 1.490 20 5 DDBDHN O=[N+]([O-])c1ccccc1CN1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000451300860 534887303 /nfs/dbraw/zinc/88/73/03/534887303.db2.gz MREMEGJMKQVKRJ-IIAWOOMASA-N 0 3 306.362 1.957 20 5 DDBDHN CC[NH+](CC)CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821189511 599381396 /nfs/dbraw/zinc/38/13/96/599381396.db2.gz NKFZATZSWXDMAS-UHFFFAOYSA-N 0 3 320.357 1.314 20 5 DDBDHN CC[NH+](CC)CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821189511 599381398 /nfs/dbraw/zinc/38/13/98/599381398.db2.gz NKFZATZSWXDMAS-UHFFFAOYSA-N 0 3 320.357 1.314 20 5 DDBDHN O=[N+]([O-])c1cccc(-c2noc(C[C@@H]3CSCCN3)n2)c1 ZINC000091128914 696585883 /nfs/dbraw/zinc/58/58/83/696585883.db2.gz XAVBPRGQCAZVIR-SNVBAGLBSA-N 0 3 306.347 1.892 20 5 DDBDHN COCCN(C)CCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000176801737 697406443 /nfs/dbraw/zinc/40/64/43/697406443.db2.gz YVPDCSSKVPRWKT-UHFFFAOYSA-N 0 3 313.329 1.350 20 5 DDBDHN Cc1cc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000749388546 700161016 /nfs/dbraw/zinc/16/10/16/700161016.db2.gz ZJAHZXWXDHPHCQ-LBPRGKRZSA-N 0 3 318.377 1.794 20 5 DDBDHN O=C(CCNC[C@@H](O)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000799993608 700179604 /nfs/dbraw/zinc/17/96/04/700179604.db2.gz ITJXHJTUBDBSTF-CYBMUJFWSA-N 0 3 319.317 1.840 20 5 DDBDHN Cc1c(NC(=O)CCN2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000761074559 700839092 /nfs/dbraw/zinc/83/90/92/700839092.db2.gz CRUHNLGPUIYJJU-GFCCVEGCSA-N 0 3 320.393 1.868 20 5 DDBDHN COC(=O)c1cc(C)nc(NCCN2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000804520571 701197392 /nfs/dbraw/zinc/19/73/92/701197392.db2.gz GEWLUOKDGQLKFQ-LLVKDONJSA-N 0 3 322.365 1.981 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c(N)c([N+](=O)[O-])c1 ZINC000816949335 702233461 /nfs/dbraw/zinc/23/34/61/702233461.db2.gz TUIPTCMYZSUVIR-GXFFZTMASA-N 0 3 304.350 1.262 20 5 DDBDHN COc1ccc(-c2n[nH]cc2C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110311 702296025 /nfs/dbraw/zinc/29/60/25/702296025.db2.gz XHIXXTUTLYXGQP-SECBINFHSA-N 0 3 305.290 1.907 20 5 DDBDHN CC(COC(=O)CCCNC(=O)c1ccsc1)[N+](=O)[O-] ZINC000813109929 702296226 /nfs/dbraw/zinc/29/62/26/702296226.db2.gz XOJWNKNLRAIJLA-VIFPVBQESA-N 0 3 300.336 1.467 20 5 DDBDHN CCN1CCN(c2ccc(C(=O)OC[C@H](C)[N+](=O)[O-])cc2)CC1 ZINC000813110914 702297381 /nfs/dbraw/zinc/29/73/81/702297381.db2.gz LVOYCXDGZYTLGI-ZDUSSCGKSA-N 0 3 321.377 1.651 20 5 DDBDHN C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000843059765 702809992 /nfs/dbraw/zinc/80/99/92/702809992.db2.gz NBEHKXIQRBRCBI-SWPVVBRQSA-N 0 3 308.256 1.530 20 5 DDBDHN CC[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000843090520 702816800 /nfs/dbraw/zinc/81/68/00/702816800.db2.gz YIIPTUIKWHBWPV-SDDRHHMPSA-N 0 3 322.283 1.920 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H](Cn3ccnn3)C2)c1 ZINC000852314409 704007748 /nfs/dbraw/zinc/00/77/48/704007748.db2.gz SKLMQWZKHGTNQG-WFASDCNBSA-N 0 3 317.349 1.242 20 5 DDBDHN COCCn1cc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000819288993 704101057 /nfs/dbraw/zinc/10/10/57/704101057.db2.gz BNDBOAWJPJNTDO-OAHLLOKOSA-N 0 3 320.349 1.261 20 5 DDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000855165888 704471955 /nfs/dbraw/zinc/47/19/55/704471955.db2.gz ZTRFKZQOFIPPEU-SECBINFHSA-N 0 3 324.356 1.919 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874836389 705193566 /nfs/dbraw/zinc/19/35/66/705193566.db2.gz CCQQCIVJAKQEKN-NEPJUHHUSA-N 0 3 321.381 1.579 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874836389 705193568 /nfs/dbraw/zinc/19/35/68/705193568.db2.gz CCQQCIVJAKQEKN-NEPJUHHUSA-N 0 3 321.381 1.579 20 5 DDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000874845925 705200854 /nfs/dbraw/zinc/20/08/54/705200854.db2.gz YUROPSXLQFQSHA-CABCVRRESA-N 0 3 319.361 1.669 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](c2ccccn2)C1 ZINC000878553789 706425797 /nfs/dbraw/zinc/42/57/97/706425797.db2.gz RUNVCLBSDZQOJO-ZDUSSCGKSA-N 0 3 301.350 1.984 20 5 DDBDHN O=C1CC2(CCC2)N(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000880169332 706899295 /nfs/dbraw/zinc/89/92/95/706899295.db2.gz QVCSXPIJVQBBTG-CQSZACIVSA-N 0 3 319.361 1.373 20 5 DDBDHN CC(C)N1CCCC[C@@H]1COC(=O)c1c([N+](=O)[O-])cnn1C ZINC000837609791 707695178 /nfs/dbraw/zinc/69/51/78/707695178.db2.gz PYUCAOIOIKCZHT-LLVKDONJSA-N 0 3 310.354 1.748 20 5 DDBDHN Cc1c(CNCC[C@H]2CCCS2(=O)=O)cccc1[N+](=O)[O-] ZINC000883296304 707967907 /nfs/dbraw/zinc/96/79/07/707967907.db2.gz JOXDOXPSGCWSRT-CYBMUJFWSA-N 0 3 312.391 1.960 20 5 DDBDHN Cc1cc(F)cc(C(=O)N(C)CCN(C)CCO)c1[N+](=O)[O-] ZINC000912607700 713047052 /nfs/dbraw/zinc/04/70/52/713047052.db2.gz JWWYPQBAADSPDP-UHFFFAOYSA-N 0 3 313.329 1.038 20 5 DDBDHN COC(=O)N1CCC[C@H]([C@@H](C)NCc2cccnc2[N+](=O)[O-])C1 ZINC000886142925 708704543 /nfs/dbraw/zinc/70/45/43/708704543.db2.gz OINSHCLYRQRISB-YPMHNXCESA-N 0 3 322.365 1.946 20 5 DDBDHN C[C@]1(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CN2CCC1CC2 ZINC000892766635 710494873 /nfs/dbraw/zinc/49/48/73/710494873.db2.gz MFKDTCDFTVNVFA-INIZCTEOSA-N 0 3 321.352 1.877 20 5 DDBDHN Cc1c(C[NH2+]C2CCN(CC(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000902342972 710723283 /nfs/dbraw/zinc/72/32/83/710723283.db2.gz LMTMIOYMJMHNTA-UHFFFAOYSA-N 0 3 307.350 1.542 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCO[C@]12CCOC2 ZINC000903090511 711028924 /nfs/dbraw/zinc/02/89/24/711028924.db2.gz CJDQPJMTQOCOFA-CABCVRRESA-N 0 3 308.334 1.641 20 5 DDBDHN CN1CCCC[C@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000912237607 711238064 /nfs/dbraw/zinc/23/80/64/711238064.db2.gz LYDOVHZBXBCKGQ-HNNXBMFYSA-N 0 3 320.393 1.921 20 5 DDBDHN CCOC(=O)c1ccnc(N[C@H]2CCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000895739038 711591706 /nfs/dbraw/zinc/59/17/06/711591706.db2.gz AMOJNYWTCWUWIP-KOLCDFICSA-N 0 3 308.338 1.671 20 5 DDBDHN COc1c(O)ccc(CN[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1[N+](=O)[O-] ZINC000895746342 711594373 /nfs/dbraw/zinc/59/43/73/711594373.db2.gz WFMXFRMPVZFVEU-QGJZQDQRSA-N 0 3 320.345 1.822 20 5 DDBDHN COc1c([O-])ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1[N+](=O)[O-] ZINC000895746342 711594376 /nfs/dbraw/zinc/59/43/76/711594376.db2.gz WFMXFRMPVZFVEU-QGJZQDQRSA-N 0 3 320.345 1.822 20 5 DDBDHN C[C@@H](O)[C@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000929750671 713682161 /nfs/dbraw/zinc/68/21/61/713682161.db2.gz WKNZCSMRERTLMF-IAQYHMDHSA-N 0 3 310.350 1.180 20 5 DDBDHN O=C1NC[C@@H](O)CC12CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000932838713 714423468 /nfs/dbraw/zinc/42/34/68/714423468.db2.gz CMTVUWYZNSKGBX-AWEZNQCLSA-N 0 3 319.361 1.058 20 5 DDBDHN CC(C)C[C@H]1CN(C)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000933252498 714547514 /nfs/dbraw/zinc/54/75/14/714547514.db2.gz WZCZONOXYVYTPU-HNNXBMFYSA-N 0 3 322.409 1.419 20 5 DDBDHN O=[N+]([O-])C[C@H]1CC[C@H](NCc2nccn2CC(F)(F)F)C1 ZINC001168991957 762165588 /nfs/dbraw/zinc/16/55/88/762165588.db2.gz INLLCBJQPJSJIR-UWVGGRQHSA-N 0 3 306.288 1.980 20 5 DDBDHN Cc1cc(-n2nncc2CN)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001169310150 762358239 /nfs/dbraw/zinc/35/82/39/762358239.db2.gz BQPVWQYWCATUTL-UHFFFAOYSA-N 0 3 311.305 1.400 20 5 DDBDHN Cn1cc(N2CCCc3ccc(CN)nc32)cc([N+](=O)[O-])c1=O ZINC001169592335 762526214 /nfs/dbraw/zinc/52/62/14/762526214.db2.gz NNRSDCWDOVALAD-UHFFFAOYSA-N 0 3 315.333 1.232 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cc(F)c[nH]1 ZINC001131463160 768143812 /nfs/dbraw/zinc/14/38/12/768143812.db2.gz OLDUDIJLZFEQQQ-UHFFFAOYSA-N 0 3 306.297 1.582 20 5 DDBDHN C[C@@H](Nc1ccnc2c1cccc2[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170566449 768172631 /nfs/dbraw/zinc/17/26/31/768172631.db2.gz ANTHGHFSAJIDBD-QMTHXVAHSA-N 0 3 302.334 1.932 20 5 DDBDHN C[C@H](Nc1nc(Cl)nc(Cl)c1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001159497503 771613469 /nfs/dbraw/zinc/61/34/69/771613469.db2.gz OGVXAESJROISKU-WDSKDSINSA-N 0 3 322.152 1.480 20 5 DDBDHN CCc1nc[nH]c1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001149448793 773432077 /nfs/dbraw/zinc/43/20/77/773432077.db2.gz ZZNVIIBITDVWFX-UHFFFAOYSA-N 0 3 317.349 1.400 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC(N(C)C)C2)c1F ZINC001173180792 777035155 /nfs/dbraw/zinc/03/51/55/777035155.db2.gz NGEYQZRHEPNZNT-JTQLQIEISA-N 0 3 311.357 1.919 20 5 DDBDHN CCOC(=O)[C@H]1CNCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC001326223371 861208299 /nfs/dbraw/zinc/20/82/99/861208299.db2.gz ZTALVYLDPORSDJ-KEDPEKRHSA-N 0 3 319.361 1.445 20 5 DDBDHN CCC(=O)NC1(CNCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001327606732 862313710 /nfs/dbraw/zinc/31/37/10/862313710.db2.gz GZDKIAILCXTQOZ-UHFFFAOYSA-N 0 3 321.377 1.760 20 5 DDBDHN Nc1cc(N[C@H]2CCCC[C@@]23CNCCO3)ncc1[N+](=O)[O-] ZINC001155827027 862482970 /nfs/dbraw/zinc/48/29/70/862482970.db2.gz ZPGAMJQGGLZDHE-GXTWGEPZSA-N 0 3 307.354 1.285 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001157259093 863688082 /nfs/dbraw/zinc/68/80/82/863688082.db2.gz CQCIZUODGUGMID-GXFFZTMASA-N 0 3 320.349 1.307 20 5 DDBDHN C[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@@H]1CNCCO1 ZINC001159496837 865348084 /nfs/dbraw/zinc/34/80/84/865348084.db2.gz LBQVXFPOQUORHW-RNCFNFMXSA-N 0 3 303.322 1.327 20 5 DDBDHN CNc1c(C(=O)NCCN2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001320379467 866692076 /nfs/dbraw/zinc/69/20/76/866692076.db2.gz UXLPKYCCRPIZKE-LLVKDONJSA-N 0 3 306.366 1.708 20 5 DDBDHN Cc1coc(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)c1 ZINC001164354278 869146225 /nfs/dbraw/zinc/14/62/25/869146225.db2.gz JNQHVUHQRRIVPV-UHFFFAOYSA-N 0 3 321.337 1.139 20 5 DDBDHN O=C(N[C@H]1COC2(CNC2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001357842764 880224590 /nfs/dbraw/zinc/22/45/90/880224590.db2.gz GRFZMKNNPFGVHE-MRVPVSSYSA-N 0 3 311.725 1.109 20 5 DDBDHN O=c1[nH][n-]cc1CCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573340 896507529 /nfs/dbraw/zinc/50/75/29/896507529.db2.gz XYVDBFLKCMEKNX-YPMHNXCESA-N 0 3 302.334 1.164 20 5 DDBDHN C[C@](O)(CNC[C@H](O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC001262572130 900254001 /nfs/dbraw/zinc/25/40/01/900254001.db2.gz LTQRAQAPMNVSKU-QWRGUYRKSA-N 0 3 308.256 1.531 20 5 DDBDHN Cc1c(CC(=O)N[C@@H]2CN(C)CC2(C)C)cccc1[N+](=O)[O-] ZINC001303989923 903187637 /nfs/dbraw/zinc/18/76/37/903187637.db2.gz UMNAGWXHERRSBP-CQSZACIVSA-N 0 3 305.378 1.902 20 5 DDBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc([S@@](C)=O)cc1 ZINC000090539600 185301685 /nfs/dbraw/zinc/30/16/85/185301685.db2.gz AJEANENIKJWAOG-XFNZEKPQSA-N 0 3 322.390 1.880 20 5 DDBDHN CN1C[C@@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000425048873 529822538 /nfs/dbraw/zinc/82/25/38/529822538.db2.gz CYCSHRHOYUKHGO-TVQRCGJNSA-N 0 3 322.340 1.482 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCN(C)C1 ZINC000301981076 529932940 /nfs/dbraw/zinc/93/29/40/529932940.db2.gz IOXWGGWJCMXXIW-LLVKDONJSA-N 0 3 306.366 1.708 20 5 DDBDHN COC(=O)c1cnc(N[C@@H]2CCN(CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000616369949 362664757 /nfs/dbraw/zinc/66/47/57/362664757.db2.gz DZZABXWMAGTHBS-GFCCVEGCSA-N 0 3 320.349 1.673 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)C[C@H](C)[NH3+] ZINC000320604126 290820812 /nfs/dbraw/zinc/82/08/12/290820812.db2.gz XLBOBSTUGUNEAL-IUCAKERBSA-N 0 3 317.367 1.008 20 5 DDBDHN CN1CCC(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000048402521 352537821 /nfs/dbraw/zinc/53/78/21/352537821.db2.gz OSOMLXHFBHIBGA-UHFFFAOYSA-N 0 3 306.366 1.607 20 5 DDBDHN C[C@H]1NC(=O)N(CCN(C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000459427955 233187427 /nfs/dbraw/zinc/18/74/27/233187427.db2.gz AMEBRLFUXHFBCT-LLVKDONJSA-N 0 3 320.349 1.009 20 5 DDBDHN C[C@H](O)C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181869127 186213138 /nfs/dbraw/zinc/21/31/38/186213138.db2.gz NQFMQVSZCXLGJF-GXTWGEPZSA-N 0 3 324.377 1.427 20 5 DDBDHN CN1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000015261222 352154323 /nfs/dbraw/zinc/15/43/23/352154323.db2.gz FTGBTDKLZRSTJZ-UHFFFAOYSA-N 0 3 307.350 1.599 20 5 DDBDHN C[NH+](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000030646851 352255940 /nfs/dbraw/zinc/25/59/40/352255940.db2.gz QVLBKZHDCGDCRI-UHFFFAOYSA-N 0 3 316.317 1.597 20 5 DDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000068341683 353104702 /nfs/dbraw/zinc/10/47/02/353104702.db2.gz ROAPLCWVJKSHEF-ZDUSSCGKSA-N 0 3 320.393 1.827 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN1CCC[C@@H](C)C1 ZINC000068575522 353121435 /nfs/dbraw/zinc/12/14/35/353121435.db2.gz LBKDMAXGXIILGW-GFCCVEGCSA-N 0 3 323.397 1.338 20 5 DDBDHN Cn1cc(CCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000072665166 353207864 /nfs/dbraw/zinc/20/78/64/353207864.db2.gz FBXFJFOMKCVVEJ-ZDUSSCGKSA-N 0 3 316.365 1.452 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1(C(N)=O)CCOCC1 ZINC000153157305 354197564 /nfs/dbraw/zinc/19/75/64/354197564.db2.gz XCZXDHRDPBCLAD-GFCCVEGCSA-N 0 3 321.377 1.836 20 5 DDBDHN CN1CC[C@@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 ZINC000346297772 283062465 /nfs/dbraw/zinc/06/24/65/283062465.db2.gz PJGCKEOKZKFGMJ-OAHLLOKOSA-N 0 3 307.325 1.902 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590011322 355040849 /nfs/dbraw/zinc/04/08/49/355040849.db2.gz HYVXHWXAYNKYOL-DOMZBBRYSA-N 0 3 318.377 1.478 20 5 DDBDHN Cn1c(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000495123616 235128454 /nfs/dbraw/zinc/12/84/54/235128454.db2.gz VELDELJYKJMJJZ-NWDGAFQWSA-N 0 3 306.366 1.490 20 5 DDBDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000590402427 355085752 /nfs/dbraw/zinc/08/57/52/355085752.db2.gz UCFTWWSWWZLAFS-GJZGRUSLSA-N 0 3 319.361 1.530 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000590776513 355176358 /nfs/dbraw/zinc/17/63/58/355176358.db2.gz GCLFWAPAFFINBM-RISCZKNCSA-N 0 3 305.334 1.136 20 5 DDBDHN Cc1ncc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000591729221 355374190 /nfs/dbraw/zinc/37/41/90/355374190.db2.gz OPUSFZGUDILZTM-LBPRGKRZSA-N 0 3 323.374 1.889 20 5 DDBDHN CC1(C)CNCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000591678395 355360243 /nfs/dbraw/zinc/36/02/43/355360243.db2.gz SROSSNQTCXABBU-UHFFFAOYSA-N 0 3 306.366 1.607 20 5 DDBDHN CCCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@H]1CCN(C)C1 ZINC000592831715 355706810 /nfs/dbraw/zinc/70/68/10/355706810.db2.gz NVTPHJANTDJFSQ-LBPRGKRZSA-N 0 3 309.370 1.042 20 5 DDBDHN CC1(OCC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CNC1 ZINC000592965644 355757299 /nfs/dbraw/zinc/75/72/99/355757299.db2.gz ANLWCBAWNYKNLO-UHFFFAOYSA-N 0 3 319.361 1.464 20 5 DDBDHN CC(C)O[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000593055557 355781396 /nfs/dbraw/zinc/78/13/96/355781396.db2.gz LQBZPPXGOBDPGM-KBPBESRZSA-N 0 3 312.370 1.042 20 5 DDBDHN CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000593056962 355782792 /nfs/dbraw/zinc/78/27/92/355782792.db2.gz BYHRPGHXFXGLCU-CQSZACIVSA-N 0 3 321.352 1.972 20 5 DDBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])cn1 ZINC000594195395 356136062 /nfs/dbraw/zinc/13/60/62/356136062.db2.gz GKRZYTBDVXILAL-TZMCWYRMSA-N 0 3 304.350 1.737 20 5 DDBDHN COc1ccc(CNC[C@H](OC)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000594950079 356363147 /nfs/dbraw/zinc/36/31/47/356363147.db2.gz HNVJAZSGZVRAMZ-DOMZBBRYSA-N 0 3 310.350 1.745 20 5 DDBDHN CC[C@@H](NC[C@]1(OCCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595077358 356379025 /nfs/dbraw/zinc/37/90/25/356379025.db2.gz HHTNEFFLQFGPPA-HZPDHXFCSA-N 0 3 324.377 1.804 20 5 DDBDHN CN(C)C(=O)N(C)[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595825004 356665817 /nfs/dbraw/zinc/66/58/17/356665817.db2.gz BVEYSDXKDQTYKE-HNNXBMFYSA-N 0 3 320.393 1.825 20 5 DDBDHN COc1ccc(OCCN2CC[C@@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595826498 356665871 /nfs/dbraw/zinc/66/58/71/356665871.db2.gz ABFDGELDKBEDBR-CHWSQXEVSA-N 0 3 322.361 1.951 20 5 DDBDHN CCOc1cc(CN(C)C2(CO)CCOCC2)ccc1[N+](=O)[O-] ZINC000276830554 213120491 /nfs/dbraw/zinc/12/04/91/213120491.db2.gz BBHWYPTYKRUGRC-UHFFFAOYSA-N 0 3 324.377 1.967 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](O)[C@H]1CCCO1 ZINC000599067275 357806591 /nfs/dbraw/zinc/80/65/91/357806591.db2.gz YRUNIZCAOYPHDX-LEWSCRJBSA-N 0 3 310.350 1.794 20 5 DDBDHN C[C@@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000599105746 357817428 /nfs/dbraw/zinc/81/74/28/357817428.db2.gz PYSPOBCICSUEMO-OCAPTIKFSA-N 0 3 319.408 1.246 20 5 DDBDHN Cn1cc(CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nn1 ZINC000599338786 357899829 /nfs/dbraw/zinc/89/98/29/357899829.db2.gz HBBRDYHMGLFCRN-UHFFFAOYSA-N 0 3 301.350 1.930 20 5 DDBDHN CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CN2CCC1CC2 ZINC000347964518 283307500 /nfs/dbraw/zinc/30/75/00/283307500.db2.gz ZUKWCYMJPSLOKS-CQSZACIVSA-N 0 3 319.361 1.526 20 5 DDBDHN CC1CCN(CCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000180530507 199171443 /nfs/dbraw/zinc/17/14/43/199171443.db2.gz LQGJUGMHRSSCGH-UHFFFAOYSA-N 0 3 307.354 1.034 20 5 DDBDHN Cc1nn(C)c(C(=O)NC[C@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000600469398 358232107 /nfs/dbraw/zinc/23/21/07/358232107.db2.gz AOGPSJJDHMVSDC-GFCCVEGCSA-N 0 3 321.381 1.383 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3cc[nH]n3)CC2)cn1 ZINC000602510348 359020448 /nfs/dbraw/zinc/02/04/48/359020448.db2.gz GYTODZIFHGUBPI-UHFFFAOYSA-N 0 3 302.338 1.472 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@H](OC)[C@@H]1CCOC1 ZINC000602547145 359038831 /nfs/dbraw/zinc/03/88/31/359038831.db2.gz AIYXGUUQWJEITO-ABAIWWIYSA-N 0 3 310.350 1.745 20 5 DDBDHN CCN[C@@H](C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000602476970 359003929 /nfs/dbraw/zinc/00/39/29/359003929.db2.gz YNELJUABESACAR-LBPRGKRZSA-N 0 3 306.366 1.241 20 5 DDBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@]1(O)CCOC1 ZINC000602581166 359054363 /nfs/dbraw/zinc/05/43/63/359054363.db2.gz FBFJMDXOZJWGIU-LBPRGKRZSA-N 0 3 320.267 1.855 20 5 DDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602937110 359306508 /nfs/dbraw/zinc/30/65/08/359306508.db2.gz QIGDTKNJHJIJRX-GTTSAUCSSA-N 0 3 317.345 1.640 20 5 DDBDHN C[C@H]1CN(CCN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000602963676 359326584 /nfs/dbraw/zinc/32/65/84/359326584.db2.gz YHHHEXCGIUBFBN-XJKSGUPXSA-N 0 3 323.393 1.113 20 5 DDBDHN O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H]1CSCCN1 ZINC000603420647 359629362 /nfs/dbraw/zinc/62/93/62/359629362.db2.gz VOUPKQFUIBWSQW-SNVBAGLBSA-N 0 3 304.375 1.682 20 5 DDBDHN CNS(=O)(=O)CCN[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000187178499 200072488 /nfs/dbraw/zinc/07/24/88/200072488.db2.gz IGCIVIDEUGCVAD-NSHDSACASA-N 0 3 315.395 1.055 20 5 DDBDHN C[C@@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000187273270 200086825 /nfs/dbraw/zinc/08/68/25/200086825.db2.gz QOMOFGOVFPBIEH-LLVKDONJSA-N 0 3 306.366 1.639 20 5 DDBDHN C[C@@](O)(CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000609564548 360325663 /nfs/dbraw/zinc/32/56/63/360325663.db2.gz ZJKNKKJAHDVJMA-OAHLLOKOSA-N 0 3 308.334 1.617 20 5 DDBDHN CCN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611092337 360621784 /nfs/dbraw/zinc/62/17/84/360621784.db2.gz QKKQKMQZEULANC-CYBMUJFWSA-N 0 3 320.393 1.949 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC[C@H](C)[NH3+])c1 ZINC000193254302 201014607 /nfs/dbraw/zinc/01/46/07/201014607.db2.gz DAWPCELTKWNCCA-QMMMGPOBSA-N 0 3 321.786 1.572 20 5 DDBDHN COc1ccc(OCCN[C@H]2C(=O)NCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000193634090 201092097 /nfs/dbraw/zinc/09/20/97/201092097.db2.gz JHHADVMOVSGLBB-IINYFYTJSA-N 0 3 323.349 1.096 20 5 DDBDHN Cc1cc([C@@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1F ZINC000271829094 209248752 /nfs/dbraw/zinc/24/87/52/209248752.db2.gz WIYMFCIDTLFXLO-RISCZKNCSA-N 0 3 322.340 1.951 20 5 DDBDHN CCN(C)CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000264897421 204248239 /nfs/dbraw/zinc/24/82/39/204248239.db2.gz KXWNIFBZDGRIHN-UHFFFAOYSA-N 0 3 306.366 1.851 20 5 DDBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)NCCF ZINC000282750728 217225405 /nfs/dbraw/zinc/22/54/05/217225405.db2.gz NTERRHPYADZKCL-RYUDHWBXSA-N 0 3 311.357 1.980 20 5 DDBDHN C[C@@]1(CO)CCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000351523502 284361076 /nfs/dbraw/zinc/36/10/76/284361076.db2.gz LVRGDMVLICARAH-HIFRSBDPSA-N 0 3 307.350 1.334 20 5 DDBDHN COc1ccc(CNC(=O)[C@H](N)CCSC)cc1[N+](=O)[O-] ZINC000269052134 207200452 /nfs/dbraw/zinc/20/04/52/207200452.db2.gz SGVDKMICXXKXQN-SNVBAGLBSA-N 0 3 313.379 1.300 20 5 DDBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000360022756 299582080 /nfs/dbraw/zinc/58/20/80/299582080.db2.gz INVVPSCQAHYASD-NSHDSACASA-N 0 3 315.395 1.603 20 5 DDBDHN C[C@@H](CO)N(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000289486959 221011873 /nfs/dbraw/zinc/01/18/73/221011873.db2.gz RESVVNXATQVARE-NSHDSACASA-N 0 3 304.350 1.808 20 5 DDBDHN C[C@@H]1CSC[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000352814417 285318414 /nfs/dbraw/zinc/31/84/14/285318414.db2.gz GERDHOXYLIHQBJ-MFKMUULPSA-N 0 3 321.402 1.825 20 5 DDBDHN CC(COC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000497001606 307375012 /nfs/dbraw/zinc/37/50/12/307375012.db2.gz JTDXNNKYFCRUJS-GHMZBOCLSA-N 0 3 316.354 1.984 20 5 DDBDHN CSCCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570509330 304412758 /nfs/dbraw/zinc/41/27/58/304412758.db2.gz YNAYTVFAHKBLOA-UHFFFAOYSA-N 0 3 318.420 1.711 20 5 DDBDHN C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050163261 407129062 /nfs/dbraw/zinc/12/90/62/407129062.db2.gz MYQVJFSRCOCQFD-WDEREUQCSA-N 0 3 313.379 1.261 20 5 DDBDHN CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000051556034 407141457 /nfs/dbraw/zinc/14/14/57/407141457.db2.gz AAESGRFUUFXDJT-GOEBONIOSA-N 0 3 324.377 1.835 20 5 DDBDHN CCOc1ccc([C@H](C)NC[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000090848824 407172098 /nfs/dbraw/zinc/17/20/98/407172098.db2.gz RCOFEKXDVKGTHT-XHDPSFHLSA-N 0 3 310.350 1.796 20 5 DDBDHN CN(C)CCn1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000102435830 407322810 /nfs/dbraw/zinc/32/28/10/407322810.db2.gz DABXHEABBOIQFQ-UHFFFAOYSA-N 0 3 318.337 1.997 20 5 DDBDHN C[C@@H]1C[C@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000123323789 407325639 /nfs/dbraw/zinc/32/56/39/407325639.db2.gz QWGILHCXAKEIEZ-CHWSQXEVSA-N 0 3 321.377 1.915 20 5 DDBDHN CN(CC1CCN(C)CC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000103453798 407340232 /nfs/dbraw/zinc/34/02/32/407340232.db2.gz NRMHHSNFDLECCR-UHFFFAOYSA-N 0 3 321.377 1.774 20 5 DDBDHN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000111304210 407406880 /nfs/dbraw/zinc/40/68/80/407406880.db2.gz FHQXUTKHSJGNMY-SNVBAGLBSA-N 0 3 301.368 1.227 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CCN(C)C)C(C)C ZINC000151905352 407522169 /nfs/dbraw/zinc/52/21/69/407522169.db2.gz MFGLHMOCMLQULZ-UHFFFAOYSA-N 0 3 311.386 1.288 20 5 DDBDHN CC(C)(C)[C@H](N)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000236683240 407748979 /nfs/dbraw/zinc/74/89/79/407748979.db2.gz YOYPJRQIDSYVMR-ZWNOBZJWSA-N 0 3 321.381 1.376 20 5 DDBDHN COc1cc(C(=O)N(C)CCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000186727994 407759142 /nfs/dbraw/zinc/75/91/42/407759142.db2.gz NJWRTOXASMQMKI-UHFFFAOYSA-N 0 3 307.350 1.770 20 5 DDBDHN CN(C)C[C@](C)(O)CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000153390357 407816744 /nfs/dbraw/zinc/81/67/44/407816744.db2.gz KIZKSZLNXJEZMG-XVJNWHFHSA-N 0 3 307.350 1.037 20 5 DDBDHN C[C@H](NC[C@H](O)COC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000180406833 407886247 /nfs/dbraw/zinc/88/62/47/407886247.db2.gz WNUGVRXXYDAIKT-WFASDCNBSA-N 0 3 324.377 1.802 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000268248150 407967358 /nfs/dbraw/zinc/96/73/58/407967358.db2.gz WKVDDGCYFPWOSJ-XHDPSFHLSA-N 0 3 303.362 1.736 20 5 DDBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000245639002 408032618 /nfs/dbraw/zinc/03/26/18/408032618.db2.gz ARJHYFJUWAIJNK-MXWKQRLJSA-N 0 3 309.370 1.414 20 5 DDBDHN COC[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000136626583 408113527 /nfs/dbraw/zinc/11/35/27/408113527.db2.gz LKGJSELISYXYMO-CABCVRRESA-N 0 3 319.361 1.715 20 5 DDBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1OC[C@H]1CNCCO1 ZINC000149378790 408192037 /nfs/dbraw/zinc/19/20/37/408192037.db2.gz YGKKSJWKICENHQ-SECBINFHSA-N 0 3 306.240 1.981 20 5 DDBDHN CC(C)C(=O)NC[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176225434 408316137 /nfs/dbraw/zinc/31/61/37/408316137.db2.gz XWQBMPHZOWHVEN-ZDUSSCGKSA-N 0 3 323.397 1.276 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000269459838 408316678 /nfs/dbraw/zinc/31/66/78/408316678.db2.gz HMGNVBZGGJFJQY-NXEZZACHSA-N 0 3 321.381 1.796 20 5 DDBDHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000246545897 408289707 /nfs/dbraw/zinc/28/97/07/408289707.db2.gz QMPVBLWYBQFYSK-JQWIXIFHSA-N 0 3 304.350 1.486 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)NCCN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269412474 408299022 /nfs/dbraw/zinc/29/90/22/408299022.db2.gz VSBDKUSWYQDCLU-LLVKDONJSA-N 0 3 323.397 1.903 20 5 DDBDHN CC(C)C[C@H](N)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169185983 162183779 /nfs/dbraw/zinc/18/37/79/162183779.db2.gz BPRANURBPAWRMW-AAEUAGOBSA-N 0 3 321.381 1.376 20 5 DDBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264107100 408368406 /nfs/dbraw/zinc/36/84/06/408368406.db2.gz IOQNRHZNSKEPJL-NSHDSACASA-N 0 3 315.395 1.603 20 5 DDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@](C)(O)CN(C)C ZINC000183476086 408422840 /nfs/dbraw/zinc/42/28/40/408422840.db2.gz MWQPJPQIDCAZLQ-ONOODXEBSA-N 0 3 321.377 1.427 20 5 DDBDHN CC[C@](C)(NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(N)=O ZINC000177128064 408528276 /nfs/dbraw/zinc/52/82/76/408528276.db2.gz HAHUELBGZMXOOU-HNNXBMFYSA-N 0 3 322.365 1.475 20 5 DDBDHN CO[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248459347 408572288 /nfs/dbraw/zinc/57/22/88/408572288.db2.gz NNXLKUZEMWOHGU-CHWSQXEVSA-N 0 3 310.350 1.445 20 5 DDBDHN CS[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000270472330 408542951 /nfs/dbraw/zinc/54/29/51/408542951.db2.gz MASCERNFDFQXOA-KGLIPLIRSA-N 0 3 323.418 1.641 20 5 DDBDHN COc1cccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1[N+](=O)[O-] ZINC000248837352 408644654 /nfs/dbraw/zinc/64/46/54/408644654.db2.gz OQQUABFCAZSULY-RYUDHWBXSA-N 0 3 319.361 1.912 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000249599045 408749326 /nfs/dbraw/zinc/74/93/26/408749326.db2.gz XQKFUJGWWZLFAB-KYOSRNDESA-N 0 3 310.350 1.037 20 5 DDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCN2CCC1CC2 ZINC000188618533 163060113 /nfs/dbraw/zinc/06/01/13/163060113.db2.gz MRUDSUFNMUIRBN-UHFFFAOYSA-N 0 3 303.362 1.834 20 5 DDBDHN CN1CC[C@@]2(CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000292058286 408971667 /nfs/dbraw/zinc/97/16/67/408971667.db2.gz APDXXZVHVVEUPZ-OAHLLOKOSA-N 0 3 307.325 1.902 20 5 DDBDHN CC(C)(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000292153635 408990493 /nfs/dbraw/zinc/99/04/93/408990493.db2.gz NTPKIWSXRZVNFS-LBPRGKRZSA-N 0 3 322.340 1.816 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000293331378 409091314 /nfs/dbraw/zinc/09/13/14/409091314.db2.gz GNSGIIAPTLFDFG-GUTXKFCHSA-N 0 3 323.393 1.359 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CCC[NH3+] ZINC000313827585 164011369 /nfs/dbraw/zinc/01/13/69/164011369.db2.gz MQZFCJJCMJMLPG-SECBINFHSA-N 0 3 317.367 1.009 20 5 DDBDHN CN(C)C(=O)NCCN(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000348928387 409595509 /nfs/dbraw/zinc/59/55/09/409595509.db2.gz PZTJFUSTZUQMMZ-UHFFFAOYSA-N 0 3 324.381 1.567 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C)CC[C@H]1C ZINC000354006986 409595754 /nfs/dbraw/zinc/59/57/54/409595754.db2.gz OFVGNGXVFMHWQK-LLVKDONJSA-N 0 3 309.370 1.042 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000331533974 409611226 /nfs/dbraw/zinc/61/12/26/409611226.db2.gz POWVGFFLXBATOO-NOZJJQNGSA-N 0 3 307.325 1.946 20 5 DDBDHN CCc1nn(C)c(NC[C@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000354550232 409934011 /nfs/dbraw/zinc/93/40/11/409934011.db2.gz ZYEKEUHYBWTXBI-CYBMUJFWSA-N 0 3 313.427 1.740 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CCN1C ZINC000357425033 410033553 /nfs/dbraw/zinc/03/35/53/410033553.db2.gz RNABGSZGIMXGOO-CHWSQXEVSA-N 0 3 321.377 1.963 20 5 DDBDHN C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C)N1C ZINC000339611643 410328257 /nfs/dbraw/zinc/32/82/57/410328257.db2.gz GLWPKERAKRFTEM-GHMZBOCLSA-N 0 3 303.366 1.996 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCCN(C)CC1 ZINC000298912125 410447136 /nfs/dbraw/zinc/44/71/36/410447136.db2.gz DECASMGLPXAVHK-UHFFFAOYSA-N 0 3 322.365 1.451 20 5 DDBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000352185436 410529922 /nfs/dbraw/zinc/52/99/22/410529922.db2.gz CJMXVBAGUNIJFI-QWHCGFSZSA-N 0 3 310.350 1.445 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@]1(N(C)C)CCSC1 ZINC000359545865 410723082 /nfs/dbraw/zinc/72/30/82/410723082.db2.gz KAQQHOYAGOARGS-ZDUSSCGKSA-N 0 3 313.427 1.969 20 5 DDBDHN CCN(CC)CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359608174 410767753 /nfs/dbraw/zinc/76/77/53/410767753.db2.gz DOEOHSQMZJRTNG-UHFFFAOYSA-N 0 3 307.350 1.658 20 5 DDBDHN CC(C)[C@@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)N(C)C ZINC000359621750 410777666 /nfs/dbraw/zinc/77/76/66/410777666.db2.gz ZLISWEAJYLRRDI-HNNXBMFYSA-N 0 3 321.377 1.902 20 5 DDBDHN C[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000330649746 410851650 /nfs/dbraw/zinc/85/16/50/410851650.db2.gz JELPDOFQFIXSMW-UXIGCNINSA-N 0 3 310.350 1.037 20 5 DDBDHN C[C@@H]1CN(C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000330667350 410862211 /nfs/dbraw/zinc/86/22/11/410862211.db2.gz IUQOJZKRNTXDDC-GFCCVEGCSA-N 0 3 306.366 1.559 20 5 DDBDHN C[C@@H]1C[C@H](CO)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000344133176 410979070 /nfs/dbraw/zinc/97/90/70/410979070.db2.gz PVXWHSINWAOKJG-MCIONIFRSA-N 0 3 324.377 1.427 20 5 DDBDHN C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1n1ccnc1 ZINC000129820508 196078136 /nfs/dbraw/zinc/07/81/36/196078136.db2.gz DBNCRLPUSOSBBL-STQMWFEESA-N 0 3 304.354 1.571 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCN2CCCCCC2)n1 ZINC000191769508 222108838 /nfs/dbraw/zinc/10/88/38/222108838.db2.gz DRZOGIMGKYNGJZ-UHFFFAOYSA-N 0 3 309.370 1.417 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC(O[C@@H]3CCOC3)CC2)n1 ZINC000361438313 418652617 /nfs/dbraw/zinc/65/26/17/418652617.db2.gz XJRGUNXPCGIBRG-CYBMUJFWSA-N 0 3 310.354 1.061 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000371559691 418800836 /nfs/dbraw/zinc/80/08/36/418800836.db2.gz AHDIACKQTAIOBH-MFKMUULPSA-N 0 3 304.350 1.343 20 5 DDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C[C@@H]1CCCN1C ZINC000420993405 419429517 /nfs/dbraw/zinc/42/95/17/419429517.db2.gz ATBYJVMNQOVPLL-DOMZBBRYSA-N 0 3 320.393 1.948 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCCNC2)c1 ZINC000420404745 420264681 /nfs/dbraw/zinc/26/46/81/420264681.db2.gz NRVRDDQNHBXEPI-LLVKDONJSA-N 0 3 313.379 1.242 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](c1cccnc1)C1CC1 ZINC000445806304 230196766 /nfs/dbraw/zinc/19/67/66/230196766.db2.gz UNKMDKKRTANPTG-INIZCTEOSA-N 0 3 314.345 1.892 20 5 DDBDHN CC1(C)CCCN1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000457072505 420602406 /nfs/dbraw/zinc/60/24/06/420602406.db2.gz IYUORHMWUCSNGH-UHFFFAOYSA-N 0 3 321.377 1.964 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000440799993 420606165 /nfs/dbraw/zinc/60/61/65/420606165.db2.gz DFSJXNLOPOAKKV-GHMZBOCLSA-N 0 3 313.379 1.180 20 5 DDBDHN CNc1nc(C(=O)NCCN2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000457057173 420598228 /nfs/dbraw/zinc/59/82/28/420598228.db2.gz MQLYYRCIGNJCGB-UHFFFAOYSA-N 0 3 321.381 1.636 20 5 DDBDHN C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)N1CCO ZINC000449536579 421024326 /nfs/dbraw/zinc/02/43/26/421024326.db2.gz FMDMPXJEPMOXPD-LAMLHYTJSA-N 0 3 319.405 1.995 20 5 DDBDHN CNc1nc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000455879217 421072755 /nfs/dbraw/zinc/07/27/55/421072755.db2.gz CBBPRZDXJQOUEJ-NXEZZACHSA-N 0 3 319.365 1.387 20 5 DDBDHN CN1CCN(CCC(C)(C)Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000450459825 421200274 /nfs/dbraw/zinc/20/02/74/421200274.db2.gz LUGCEDAXKXMZBB-UHFFFAOYSA-N 0 3 307.398 1.818 20 5 DDBDHN CN(C)CCN(C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000530630561 421610560 /nfs/dbraw/zinc/61/05/60/421610560.db2.gz XKPJKNVXBOBORD-UHFFFAOYSA-N 0 3 310.354 1.177 20 5 DDBDHN Nc1nccc(C(=O)N2CCC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000594283001 422343832 /nfs/dbraw/zinc/34/38/32/422343832.db2.gz XYPPILMCRRZHSB-NSHDSACASA-N 0 3 319.365 1.272 20 5 DDBDHN Cc1c(CN)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)nn1C ZINC000595963048 422360014 /nfs/dbraw/zinc/36/00/14/422360014.db2.gz YNHXMQUZFUVCRD-UHFFFAOYSA-N 0 3 303.322 1.656 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000323467067 271031019 /nfs/dbraw/zinc/03/10/19/271031019.db2.gz DQNDHLWVHGEYJL-AWEZNQCLSA-N 0 3 314.345 1.550 20 5 DDBDHN CCS(=O)(=O)C[C@H](C)NCCc1ccccc1[N+](=O)[O-] ZINC000341716407 271186224 /nfs/dbraw/zinc/18/62/24/271186224.db2.gz YAGXYCZLGZIXOC-NSHDSACASA-N 0 3 300.380 1.550 20 5 DDBDHN COC(=O)c1cc(NC(=O)[C@H](N)CC(F)F)cc([N+](=O)[O-])c1 ZINC000345717102 272312622 /nfs/dbraw/zinc/31/26/22/272312622.db2.gz RRHPYUCAUSDQIV-SECBINFHSA-N 0 3 317.248 1.302 20 5 DDBDHN Cn1c(C(=O)N2CCC[C@H]2CN2CCCC2)ccc1[N+](=O)[O-] ZINC000338682866 279305879 /nfs/dbraw/zinc/30/58/79/279305879.db2.gz URXYSCODCYKAEL-LBPRGKRZSA-N 0 3 306.366 1.634 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000122604867 281158902 /nfs/dbraw/zinc/15/89/02/281158902.db2.gz OUCRHFDGFCBMEJ-OAHLLOKOSA-N 0 3 318.377 1.757 20 5 DDBDHN C[NH2+]C[C@@H](C)C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000124105119 281183882 /nfs/dbraw/zinc/18/38/82/281183882.db2.gz KALSYIVHGRIOSJ-SNVBAGLBSA-N 0 3 301.368 1.037 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](N3CCCC3)C2)n1 ZINC000367281388 300821056 /nfs/dbraw/zinc/82/10/56/300821056.db2.gz XHIZPZWRNYMNMZ-NSHDSACASA-N 0 3 307.354 1.029 20 5 DDBDHN C[C@@H](CO)N1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000368953014 301109459 /nfs/dbraw/zinc/10/94/59/301109459.db2.gz ZGWFQIKJCFYHNR-ZDUSSCGKSA-N 0 3 321.377 1.052 20 5 DDBDHN CCCN1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000376501003 302085649 /nfs/dbraw/zinc/08/56/49/302085649.db2.gz NEWDPVPLOCRQIT-UHFFFAOYSA-N 0 3 307.354 1.361 20 5 DDBDHN CNc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000538714003 303389993 /nfs/dbraw/zinc/38/99/93/303389993.db2.gz GFVUDZNREXXXAJ-NHYWBVRUSA-N 0 3 318.377 1.803 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@]1(C)CCCCN1 ZINC000357785841 306914489 /nfs/dbraw/zinc/91/44/89/306914489.db2.gz DMODAMAUCPNMLF-HNNXBMFYSA-N 0 3 307.350 1.752 20 5 DDBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCCN1CCCC1 ZINC000362389283 307020446 /nfs/dbraw/zinc/02/04/46/307020446.db2.gz NJBBQDGVZGNMBE-UHFFFAOYSA-N 0 3 313.304 1.628 20 5 DDBDHN C[C@@H](CO)N1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000364894535 307052804 /nfs/dbraw/zinc/05/28/04/307052804.db2.gz KJRYQMPIIXWBNE-AWEZNQCLSA-N 0 3 323.393 1.362 20 5 DDBDHN COc1cccc(N2CCCN([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000364976289 307055680 /nfs/dbraw/zinc/05/56/80/307055680.db2.gz DNDLKTBZEIFXGP-LBPRGKRZSA-N 0 3 309.366 1.496 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000370997932 307140202 /nfs/dbraw/zinc/14/02/02/307140202.db2.gz KLUGQRORYKFZAE-CSOLROPVSA-N 0 3 306.362 1.721 20 5 DDBDHN O=C1NC[C@H]2CN(CCOc3ccccc3[N+](=O)[O-])CC[C@H]12 ZINC000377683740 307275797 /nfs/dbraw/zinc/27/57/97/307275797.db2.gz UZVIEAWEUMLMOZ-RYUDHWBXSA-N 0 3 305.334 1.042 20 5 DDBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](c3nnc[nH]3)C2)c1 ZINC000377988177 307279706 /nfs/dbraw/zinc/27/97/06/307279706.db2.gz JNRZXPBBYFVXEG-GFCCVEGCSA-N 0 3 317.349 1.971 20 5 DDBDHN CC(COC(=O)CCCN(C)C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496423279 307341671 /nfs/dbraw/zinc/34/16/71/307341671.db2.gz ZRCSILAPWSVRRO-JTQLQIEISA-N 0 3 304.343 1.842 20 5 DDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc2c1CCNC2 ZINC000564837358 308007860 /nfs/dbraw/zinc/00/78/60/308007860.db2.gz WDOLVMDSUKVGRW-UHFFFAOYSA-N 0 3 301.306 1.076 20 5 DDBDHN CC1(C)[C@H](O)C[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000578080379 308435961 /nfs/dbraw/zinc/43/59/61/308435961.db2.gz VCIPYLUFEUKSNS-UONOGXRCSA-N 0 3 319.361 1.233 20 5 DDBDHN CCO[C@@H]1COC[C@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451940544 527785688 /nfs/dbraw/zinc/78/56/88/527785688.db2.gz UTGWVQVAYUDLTK-ZIAGYGMSSA-N 0 3 323.349 1.317 20 5 DDBDHN CC[N@H+]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000821242876 606732151 /nfs/dbraw/zinc/73/21/51/606732151.db2.gz XGIKUCLABASLQB-ZANVPECISA-N 0 3 317.353 1.527 20 5 DDBDHN CC[N@@H+]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000821242876 606732152 /nfs/dbraw/zinc/73/21/52/606732152.db2.gz XGIKUCLABASLQB-ZANVPECISA-N 0 3 317.353 1.527 20 5 DDBDHN CC[N@H+]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000821242876 606732153 /nfs/dbraw/zinc/73/21/53/606732153.db2.gz XGIKUCLABASLQB-ZANVPECISA-N 0 3 317.353 1.527 20 5 DDBDHN CC[N@@H+]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000821242876 606732154 /nfs/dbraw/zinc/73/21/54/606732154.db2.gz XGIKUCLABASLQB-ZANVPECISA-N 0 3 317.353 1.527 20 5 DDBDHN C[C@@H]1CCCN1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000783923323 698892749 /nfs/dbraw/zinc/89/27/49/698892749.db2.gz YCYQHUUJOBDBAJ-SNVBAGLBSA-N 0 3 321.333 1.538 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000744385198 699947454 /nfs/dbraw/zinc/94/74/54/699947454.db2.gz MZKFFYHYVHAYNT-DOMZBBRYSA-N 0 3 316.361 1.772 20 5 DDBDHN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000839853480 701844463 /nfs/dbraw/zinc/84/44/63/701844463.db2.gz IQUNMICHZVEJAS-NWANDNLSSA-N 0 3 303.362 1.385 20 5 DDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000816953657 702237304 /nfs/dbraw/zinc/23/73/04/702237304.db2.gz LOOSPBQXZXQKGV-XHDPSFHLSA-N 0 3 318.377 1.437 20 5 DDBDHN CC(COC(=O)c1ccc(N2CCOCC2)c(F)c1)[N+](=O)[O-] ZINC000813104551 702291843 /nfs/dbraw/zinc/29/18/43/702291843.db2.gz OIWHOSOEUJFCSO-SNVBAGLBSA-N 0 3 312.297 1.484 20 5 DDBDHN CC(COC(=O)[C@@H]1CCCCN1C(=O)c1ccco1)[N+](=O)[O-] ZINC000813106801 702293877 /nfs/dbraw/zinc/29/38/77/702293877.db2.gz IBMFGZCVYJEDJJ-MNOVXSKESA-N 0 3 310.306 1.483 20 5 DDBDHN CC(COC(=O)[C@@H](C)NC(=O)CCc1ccccc1)[N+](=O)[O-] ZINC000813107556 702294432 /nfs/dbraw/zinc/29/44/32/702294432.db2.gz SWVRGCSRVWVKSS-VXGBXAGGSA-N 0 3 308.334 1.332 20 5 DDBDHN CC(COC(=O)[C@@H](c1ccccc1)N1CCSCC1)[N+](=O)[O-] ZINC000813112037 702297186 /nfs/dbraw/zinc/29/71/86/702297186.db2.gz YQWVDFZQDOAURG-GXTWGEPZSA-N 0 3 324.402 1.985 20 5 DDBDHN CC(COC(=O)c1cnc(OCc2ccccc2)cn1)[N+](=O)[O-] ZINC000813111171 702297274 /nfs/dbraw/zinc/29/72/74/702297274.db2.gz PSAJXIWWAFDWGE-LLVKDONJSA-N 0 3 317.301 1.878 20 5 DDBDHN COc1ccc(Cn2cc(C(=O)OCC(C)[N+](=O)[O-])cn2)cc1 ZINC000813114834 702299374 /nfs/dbraw/zinc/29/93/74/702299374.db2.gz HPCKGQLJHIRQCR-LLVKDONJSA-N 0 3 319.317 1.762 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000843063815 702811791 /nfs/dbraw/zinc/81/17/91/702811791.db2.gz AWROHLCULGRCMP-IKGGRYGDSA-N 0 3 314.341 1.876 20 5 DDBDHN COC(=O)CC[C@H](N)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000843495469 702893667 /nfs/dbraw/zinc/89/36/67/702893667.db2.gz SDCSDMYQQGYODU-NSHDSACASA-N 0 3 321.333 1.073 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](CCO)C2CC2)c1 ZINC000844319215 703012499 /nfs/dbraw/zinc/01/24/99/703012499.db2.gz VROHUSXBARKIHR-ZDUSSCGKSA-N 0 3 308.334 1.632 20 5 DDBDHN Cc1cc(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)cc([N+](=O)[O-])c1 ZINC000869781406 703851219 /nfs/dbraw/zinc/85/12/19/703851219.db2.gz NQOQEWMTGNRHFX-ZDUSSCGKSA-N 0 3 321.377 1.478 20 5 DDBDHN C[C@H](NCCN1C(=O)CN(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000852095813 703921896 /nfs/dbraw/zinc/92/18/96/703921896.db2.gz DMBQSXPGDCYDAE-JTQLQIEISA-N 0 3 306.322 1.139 20 5 DDBDHN CC(C)(C)N1C[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000819126068 704073116 /nfs/dbraw/zinc/07/31/16/704073116.db2.gz IAQNRBCJLKSHPQ-GXTWGEPZSA-N 0 3 321.377 1.617 20 5 DDBDHN COC(=O)[C@H]1C[C@@H](N(C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852695837 704101468 /nfs/dbraw/zinc/10/14/68/704101468.db2.gz GYLQUSUNUYXAAK-YUTCNCBUSA-N 0 3 308.334 1.512 20 5 DDBDHN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCN1 ZINC000856490170 704531109 /nfs/dbraw/zinc/53/11/09/704531109.db2.gz XGOIBQHOLVICQO-GFCCVEGCSA-N 0 3 310.329 1.386 20 5 DDBDHN CC(C)[C@H]1CN(C)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823179356 705163057 /nfs/dbraw/zinc/16/30/57/705163057.db2.gz MBSPJRJIJYEQHA-CVEARBPZSA-N 0 3 307.394 1.900 20 5 DDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000874827729 705186088 /nfs/dbraw/zinc/18/60/88/705186088.db2.gz SWYYQWWTDQFOBI-RBSFLKMASA-N 0 3 319.361 1.323 20 5 DDBDHN CNc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000874848394 705202401 /nfs/dbraw/zinc/20/24/01/705202401.db2.gz SGBVGBZXBBYDNV-KGLIPLIRSA-N 0 3 318.377 1.945 20 5 DDBDHN COc1ccc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000874848711 705202557 /nfs/dbraw/zinc/20/25/57/705202557.db2.gz GMDIGNFSLFCPRD-QWHCGFSZSA-N 0 3 319.361 1.912 20 5 DDBDHN CO[C@H]1CN(C)[C@](C)(COC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000861352438 705441514 /nfs/dbraw/zinc/44/15/14/705441514.db2.gz JDISQSIEPGTBPT-RISCZKNCSA-N 0 3 302.371 1.474 20 5 DDBDHN CN1CCC[C@H]2[C@@H]1CCN2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880134674 706886396 /nfs/dbraw/zinc/88/63/96/706886396.db2.gz OIYAJPRLQNJLJW-GJZGRUSLSA-N 0 3 318.377 1.702 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880222578 706912829 /nfs/dbraw/zinc/91/28/29/706912829.db2.gz XSUHTDMGNJEIOL-FZNQNYSPSA-N 0 3 316.361 1.740 20 5 DDBDHN CCN(CCn1cc([N+](=O)[O-])cn1)[C@@H](CO)c1ccccc1 ZINC000880460704 706981930 /nfs/dbraw/zinc/98/19/30/706981930.db2.gz BNSOSEYWAZWBGQ-HNNXBMFYSA-N 0 3 304.350 1.847 20 5 DDBDHN O=C(CN[C@]12CCC[C@H]1OCC2)Nc1ccccc1[N+](=O)[O-] ZINC000872313413 707377178 /nfs/dbraw/zinc/37/71/78/707377178.db2.gz LPLIHWRXSLGEHT-HIFRSBDPSA-N 0 3 305.334 1.835 20 5 DDBDHN CC(C)(CCC(=O)NC[C@@H]1CCN1C1CCOCC1)[N+](=O)[O-] ZINC000885888707 708655308 /nfs/dbraw/zinc/65/53/08/708655308.db2.gz OBMICPHHFMYOQY-ZDUSSCGKSA-N 0 3 313.398 1.191 20 5 DDBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886176598 708710197 /nfs/dbraw/zinc/71/01/97/708710197.db2.gz HAIUUMGEKVZOPI-ZDUSSCGKSA-N 0 3 320.393 1.675 20 5 DDBDHN CN(C)CCn1nccc1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000900287879 709522222 /nfs/dbraw/zinc/52/22/22/709522222.db2.gz OKOACQJQQIWOGL-UHFFFAOYSA-N 0 3 317.349 1.283 20 5 DDBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2C)[C@@H](C)C1 ZINC000910291696 709870968 /nfs/dbraw/zinc/87/09/68/709870968.db2.gz DUHQUBQGQZAVEW-NSHDSACASA-N 0 3 306.366 1.855 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCN1C ZINC000928444034 713198487 /nfs/dbraw/zinc/19/84/87/713198487.db2.gz IJXRACWCVXEBRK-CABZTGNLSA-N 0 3 311.313 1.322 20 5 DDBDHN COc1ccc(CN[C@H]2CCO[C@@]23CCOC3)cc1[N+](=O)[O-] ZINC000903083670 711027256 /nfs/dbraw/zinc/02/72/56/711027256.db2.gz LLNXLEMFCPJCBS-LSDHHAIUSA-N 0 3 308.334 1.641 20 5 DDBDHN Cn1cc(CN2C[C@H]3C[C@@]3(O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000895645426 711567706 /nfs/dbraw/zinc/56/77/06/711567706.db2.gz BYDIDGHSTNMBGT-CZUORRHYSA-N 0 3 314.345 1.562 20 5 DDBDHN O=[N+]([O-])CCNC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000905341959 712008167 /nfs/dbraw/zinc/00/81/67/712008167.db2.gz RRYJCNJUGLNVHO-NSHDSACASA-N 0 3 306.284 1.723 20 5 DDBDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1NCC[N+](=O)[O-] ZINC000930477340 713844740 /nfs/dbraw/zinc/84/47/40/713844740.db2.gz PGVIPXRROCIAPY-GRYCIOLGSA-N 0 3 301.387 1.887 20 5 DDBDHN C[C@@H]1COC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000932493417 714345772 /nfs/dbraw/zinc/34/57/72/714345772.db2.gz FYFRRPOIRYJCHB-ZWNOBZJWSA-N 0 3 305.334 1.108 20 5 DDBDHN CC[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924774251 714661227 /nfs/dbraw/zinc/66/12/27/714661227.db2.gz AVIPKOAPCMMIGM-OLZOCXBDSA-N 0 3 320.349 1.528 20 5 DDBDHN O=[N+]([O-])c1cccc(F)c1CN1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934258283 714777526 /nfs/dbraw/zinc/77/75/26/714777526.db2.gz CMKGNSJLIGXJAX-HOTGVXAUSA-N 0 3 323.368 1.765 20 5 DDBDHN NCc1nn(-c2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])c2ccccc12 ZINC001167696385 736267820 /nfs/dbraw/zinc/26/78/20/736267820.db2.gz YVTGYGOQTNRANX-UHFFFAOYSA-N 0 3 319.708 1.679 20 5 DDBDHN Cc1ccc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1F ZINC001031662825 747337446 /nfs/dbraw/zinc/33/74/46/747337446.db2.gz MRBRQIGWCSLWJO-UKRRQHHQSA-N 0 3 321.352 1.347 20 5 DDBDHN CCCCC(=O)N1CCC(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001199359378 747810500 /nfs/dbraw/zinc/81/05/00/747810500.db2.gz GIKXDEGKOJNSQG-UHFFFAOYSA-N 0 3 323.397 1.599 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001148757055 773594597 /nfs/dbraw/zinc/59/45/97/773594597.db2.gz DHJNYZBPHUSARY-SSDOTTSWSA-N 0 3 301.734 1.185 20 5 DDBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccoc1 ZINC001266681948 836659449 /nfs/dbraw/zinc/65/94/49/836659449.db2.gz JZBWRFTUFSVOJC-UHFFFAOYSA-N 0 3 317.345 1.979 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001150119814 862100209 /nfs/dbraw/zinc/10/02/09/862100209.db2.gz LJLLJXDRMCAQIV-XPTSAGLGSA-N 0 3 304.350 1.390 20 5 DDBDHN COc1cnc(N[C@H]2CCCC[C@@]23CNCCO3)c([N+](=O)[O-])c1 ZINC001155826375 862481122 /nfs/dbraw/zinc/48/11/22/862481122.db2.gz HZYCBUMMZDYSPK-DZGCQCFKSA-N 0 3 322.365 1.712 20 5 DDBDHN Cc1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)no1 ZINC001123186963 859121635 /nfs/dbraw/zinc/12/16/35/859121635.db2.gz QFHPZPOXJHNDES-UHFFFAOYSA-N 0 3 304.306 1.411 20 5 DDBDHN COC(=O)c1cnc(N[C@H]2CCN(C3CCC3)C2)c([N+](=O)[O-])c1 ZINC001161177858 859980639 /nfs/dbraw/zinc/98/06/39/859980639.db2.gz VSRQIVCGIHPEHE-NSHDSACASA-N 0 3 320.349 1.815 20 5 DDBDHN C[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001159499874 865358345 /nfs/dbraw/zinc/35/83/45/865358345.db2.gz QGTGUXDLZPHOTC-QMTHXVAHSA-N 0 3 302.334 1.932 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC001332401689 865814132 /nfs/dbraw/zinc/81/41/32/865814132.db2.gz KHYRDRSRDPNIIW-CABCVRRESA-N 0 3 318.377 1.945 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(-c2nc([C@H]3CN4CCC3CC4)no2)n1 ZINC001323915611 866946184 /nfs/dbraw/zinc/94/61/84/866946184.db2.gz UTYIENUBGJSVHZ-VIFPVBQESA-N 0 3 304.310 1.188 20 5 DDBDHN COC(=O)c1ccnc(N[C@]2(C)CCCN(C)C2)c1[N+](=O)[O-] ZINC001162338156 867468872 /nfs/dbraw/zinc/46/88/72/867468872.db2.gz XCWWSNHXPHFJFD-CQSZACIVSA-N 0 3 308.338 1.673 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-n1nc(CN)cc1C ZINC001163988151 868849766 /nfs/dbraw/zinc/84/97/66/868849766.db2.gz IQKYPBLYJNFACX-UHFFFAOYSA-N 0 3 324.724 1.988 20 5 DDBDHN C=C/C(C)=C\CC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001164148181 868972832 /nfs/dbraw/zinc/97/28/32/868972832.db2.gz KUCMLLFYKKSJDU-SDQBBNPISA-N 0 3 321.381 1.447 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CCCC1CC1 ZINC001164277398 869079394 /nfs/dbraw/zinc/07/93/94/869079394.db2.gz LARABAYYTJPMLY-UHFFFAOYSA-N 0 3 323.397 1.505 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCN1C ZINC001303799163 871155628 /nfs/dbraw/zinc/15/56/28/871155628.db2.gz DHFCYMBXQYIYGB-BXKDBHETSA-N 0 3 311.769 2.000 20 5 DDBDHN O=c1[n-]ccc(N2CCC([NH2+]C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001307207192 871409176 /nfs/dbraw/zinc/40/91/76/871409176.db2.gz MBERXEDEOYKRTC-UHFFFAOYSA-N 0 3 322.365 1.433 20 5 DDBDHN C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001341141125 871525815 /nfs/dbraw/zinc/52/58/15/871525815.db2.gz PWTLZCCQOQFRSO-AVGNSLFASA-N 0 3 320.393 1.994 20 5 DDBDHN Cc1ccc(CN2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)c1 ZINC001313445650 871807223 /nfs/dbraw/zinc/80/72/23/871807223.db2.gz ZSCVLBMCTXPTOK-HZPDHXFCSA-N 0 3 317.389 1.613 20 5 DDBDHN CCOc1cc(NC(=O)N2CCN3CC[C@H]2C3)ccc1[N+](=O)[O-] ZINC001346512002 873784554 /nfs/dbraw/zinc/78/45/54/873784554.db2.gz XCRHQEUAZDKEAV-LBPRGKRZSA-N 0 3 320.349 1.915 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1COCCC12OCCO2 ZINC001254538369 896494075 /nfs/dbraw/zinc/49/40/75/896494075.db2.gz TVXZEBGMOIIWEF-SWLSCSKDSA-N 0 3 322.361 1.647 20 5 DDBDHN COC(=O)[C@H]1[C@@H]2CN([C@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC001254558393 896502453 /nfs/dbraw/zinc/50/24/53/896502453.db2.gz FUOYAEFTABCYJB-PBOSXPJTSA-N 0 3 304.346 1.877 20 5 DDBDHN COC(=O)CCC(=O)CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581445 896513119 /nfs/dbraw/zinc/51/31/19/896513119.db2.gz KONDVEUWITWPGF-LBPRGKRZSA-N 0 3 306.318 1.174 20 5 DDBDHN CC(=O)NC1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599662 896525216 /nfs/dbraw/zinc/52/52/16/896525216.db2.gz OBLNVPQDEAYXKM-MRXNPFEDSA-N 0 3 303.362 1.663 20 5 DDBDHN CC(=O)N(C)[C@@H]1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611677 896532837 /nfs/dbraw/zinc/53/28/37/896532837.db2.gz QZEULWTXESPNMS-HZPDHXFCSA-N 0 3 303.362 1.615 20 5 DDBDHN CC1CCC(N2CCN(c3nnc(C[N+](=O)[O-])n3C)CC2)CC1 ZINC001262864914 900401402 /nfs/dbraw/zinc/40/14/02/900401402.db2.gz UPVVHBAUGUYDPH-UHFFFAOYSA-N 0 3 322.413 1.293 20 5 DDBDHN NC(=O)NC1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079466359 185172735 /nfs/dbraw/zinc/17/27/35/185172735.db2.gz DIPUMRXEGSNDTF-UHFFFAOYSA-N 0 3 322.365 1.496 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](CCCO)C1 ZINC000452126061 231312109 /nfs/dbraw/zinc/31/21/09/231312109.db2.gz TZIQTMRWBLGYAA-KBPBESRZSA-N 0 3 324.377 1.429 20 5 DDBDHN CS[C@@H]1CCCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090564467 185303918 /nfs/dbraw/zinc/30/39/18/185303918.db2.gz AUBHMNFJFBKWOJ-CYBMUJFWSA-N 0 3 311.407 1.974 20 5 DDBDHN C[C@H](NCCC(=O)N1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000266884584 282303195 /nfs/dbraw/zinc/30/31/95/282303195.db2.gz PUTASQRFCPEKRI-ZDUSSCGKSA-N 0 3 320.393 1.410 20 5 DDBDHN COC(=O)COc1ccc(CNCC2(CO)CC2)cc1[N+](=O)[O-] ZINC000616089302 362541996 /nfs/dbraw/zinc/54/19/96/362541996.db2.gz GUIPYDGDFDVJIP-UHFFFAOYSA-N 0 3 324.333 1.009 20 5 DDBDHN Cc1nn(CCC(=O)N[C@H]2CCN(C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000330889534 232140476 /nfs/dbraw/zinc/14/04/76/232140476.db2.gz BJXQGIRQTPTWCZ-MFKMUULPSA-N 0 3 323.397 1.397 20 5 DDBDHN Cc1c(CNC(=O)NCCN(C)C2CC2)cccc1[N+](=O)[O-] ZINC000358449186 299155441 /nfs/dbraw/zinc/15/54/41/299155441.db2.gz SOXUSZCMHTUYHT-UHFFFAOYSA-N 0 3 306.366 1.797 20 5 DDBDHN CN(C)CC(C)(C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000459544356 233298895 /nfs/dbraw/zinc/29/88/95/233298895.db2.gz DLJNXUJTODUXNK-UHFFFAOYSA-N 0 3 320.393 1.414 20 5 DDBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181885472 186215492 /nfs/dbraw/zinc/21/54/92/186215492.db2.gz HUSMQMGKFPYENC-UHFFFAOYSA-N 0 3 317.292 1.878 20 5 DDBDHN Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c(CN(C)C)c1 ZINC000172133613 198044405 /nfs/dbraw/zinc/04/44/05/198044405.db2.gz ACERQJYLOBDKGR-UHFFFAOYSA-N 0 3 317.349 1.800 20 5 DDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCCCC1 ZINC000044525965 352387392 /nfs/dbraw/zinc/38/73/92/352387392.db2.gz FGRFLLAVKZMSIC-UHFFFAOYSA-N 0 3 320.393 1.877 20 5 DDBDHN CN(C)C(=O)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046037608 352434179 /nfs/dbraw/zinc/43/41/79/352434179.db2.gz NJSQGYGLRDJGLR-UHFFFAOYSA-N 0 3 321.377 1.774 20 5 DDBDHN C[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000074099416 353291507 /nfs/dbraw/zinc/29/15/07/353291507.db2.gz BXVXZPYAQLGVKQ-GFCCVEGCSA-N 0 3 320.393 1.919 20 5 DDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(C2CC2)C1 ZINC000087191150 353747936 /nfs/dbraw/zinc/74/79/36/353747936.db2.gz CDHUZOQHUQWXIL-CYBMUJFWSA-N 0 3 303.362 1.880 20 5 DDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCN1C ZINC000139638770 354130453 /nfs/dbraw/zinc/13/04/53/354130453.db2.gz CASWZTAWUYCYKL-CYBMUJFWSA-N 0 3 306.366 1.830 20 5 DDBDHN Cc1ccc(NCCCNC(=O)CNC2CC2)c([N+](=O)[O-])c1 ZINC000237667106 354344668 /nfs/dbraw/zinc/34/46/68/354344668.db2.gz BNCKXJUMNDJXNX-UHFFFAOYSA-N 0 3 306.366 1.573 20 5 DDBDHN Cc1nc(C)c(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000315061518 354490937 /nfs/dbraw/zinc/49/09/37/354490937.db2.gz DKMSAKMRPQLTEV-NSHDSACASA-N 0 3 311.367 1.015 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2CCN3C[C@H](O)C[C@H]3C2)c(Cl)c1 ZINC000405284043 354677945 /nfs/dbraw/zinc/67/79/45/354677945.db2.gz WWWBRVSAMQISCC-QWHCGFSZSA-N 0 3 311.769 1.499 20 5 DDBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc2[nH]c(=O)oc2c1 ZINC000586791307 354866137 /nfs/dbraw/zinc/86/61/37/354866137.db2.gz PZMWXOGQINPJFJ-VIFPVBQESA-N 0 3 317.305 1.989 20 5 DDBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000590402428 355085539 /nfs/dbraw/zinc/08/55/39/355085539.db2.gz UCFTWWSWWZLAFS-HUUCEWRRSA-N 0 3 319.361 1.530 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@H]2C1 ZINC000590445468 355098882 /nfs/dbraw/zinc/09/88/82/355098882.db2.gz MYSYZPLZJCWVOV-BMIGLBTASA-N 0 3 314.345 1.852 20 5 DDBDHN O=C([C@H]1CNCCC1(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000591675037 355358952 /nfs/dbraw/zinc/35/89/52/355358952.db2.gz NBYVWTBKYONJSF-LLVKDONJSA-N 0 3 311.288 1.729 20 5 DDBDHN C[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000593448321 355887906 /nfs/dbraw/zinc/88/79/06/355887906.db2.gz QKGUPGHPFCHLQU-JTQLQIEISA-N 0 3 309.341 1.875 20 5 DDBDHN O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CCCN2CCCC[C@H]12 ZINC000594081518 356108430 /nfs/dbraw/zinc/10/84/30/356108430.db2.gz OFPMLORGBRPJLP-WCQYABFASA-N 0 3 319.365 1.550 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594059074 356103165 /nfs/dbraw/zinc/10/31/65/356103165.db2.gz PDXZNOHRVCFFSK-QWHCGFSZSA-N 0 3 320.349 1.186 20 5 DDBDHN CNc1ccc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cc1[N+](=O)[O-] ZINC000565197097 304051108 /nfs/dbraw/zinc/05/11/08/304051108.db2.gz WIHVKXMCWFEQGX-QWHCGFSZSA-N 0 3 318.377 1.945 20 5 DDBDHN Nc1c(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594419171 356204439 /nfs/dbraw/zinc/20/44/39/356204439.db2.gz OJMRLSQAHZWMIK-OLZOCXBDSA-N 0 3 318.377 1.924 20 5 DDBDHN Cc1sc(S(=O)(=O)[N-]CC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000594822279 356327915 /nfs/dbraw/zinc/32/79/15/356327915.db2.gz VIHXRGNGWLUBNI-MRVPVSSYSA-N 0 3 321.424 1.583 20 5 DDBDHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)NCc1cc([N+](=O)[O-])ccc1OC ZINC000594919640 356354447 /nfs/dbraw/zinc/35/44/47/356354447.db2.gz IEIVOAYASKSNQZ-ZWKOPEQDSA-N 0 3 308.334 1.891 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCN1CCC(O)CC1 ZINC000595054308 356377301 /nfs/dbraw/zinc/37/73/01/356377301.db2.gz ZHMZKKHBJBYRJN-LBPRGKRZSA-N 0 3 323.393 1.711 20 5 DDBDHN CC(C)C[C@@](C)(C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595102633 356382767 /nfs/dbraw/zinc/38/27/67/356382767.db2.gz PJRLJPAERXEMBO-LBPRGKRZSA-N 0 3 316.383 1.032 20 5 DDBDHN Cc1ccc(NCCCNC(=O)CNC(C)C)c([N+](=O)[O-])c1 ZINC000595250011 356417719 /nfs/dbraw/zinc/41/77/19/356417719.db2.gz OZQYMWDCZLZQRS-UHFFFAOYSA-N 0 3 308.382 1.819 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](CO)C1CCC1 ZINC000595618489 356580317 /nfs/dbraw/zinc/58/03/17/356580317.db2.gz YMQHHJKAOHTOMH-CQSZACIVSA-N 0 3 307.350 1.592 20 5 DDBDHN COC(=O)[C@H]1C[C@@H](N(C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595849630 356676419 /nfs/dbraw/zinc/67/64/19/356676419.db2.gz UWAYOLXVSLALJJ-BJHJDKERSA-N 0 3 308.334 1.857 20 5 DDBDHN O=c1[nH]ccc(N2CCC(CN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000596076482 356763996 /nfs/dbraw/zinc/76/39/96/356763996.db2.gz FYIWGOJQJGPSQB-UHFFFAOYSA-N 0 3 322.365 1.244 20 5 DDBDHN O=c1[n-]ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000596168218 356800019 /nfs/dbraw/zinc/80/00/19/356800019.db2.gz QUJPXBIQLOSHBH-NSHDSACASA-N 0 3 308.338 1.361 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CCCN(C)C[C@H]2CC)c1[N+](=O)[O-] ZINC000597603808 357250995 /nfs/dbraw/zinc/25/09/95/357250995.db2.gz DYOBGHRWLUHRIW-SNVBAGLBSA-N 0 3 309.370 1.437 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CCCN(C)C[C@H]2CC)c1[N+](=O)[O-] ZINC000597603808 357250999 /nfs/dbraw/zinc/25/09/99/357250999.db2.gz DYOBGHRWLUHRIW-SNVBAGLBSA-N 0 3 309.370 1.437 20 5 DDBDHN CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000597945947 357394015 /nfs/dbraw/zinc/39/40/15/357394015.db2.gz KYAIOCCKIRDARM-CYBMUJFWSA-N 0 3 321.377 1.916 20 5 DDBDHN CCOc1cc(CN(C)CCCC(=O)NC)ccc1[N+](=O)[O-] ZINC000276828309 213118885 /nfs/dbraw/zinc/11/88/85/213118885.db2.gz ANTIYZWDHIDDNJ-UHFFFAOYSA-N 0 3 309.366 1.952 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000598343145 357545551 /nfs/dbraw/zinc/54/55/51/357545551.db2.gz RHPZVGRGYKPJOM-SNVBAGLBSA-N 0 3 317.349 1.685 20 5 DDBDHN COc1cc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000292364530 223025583 /nfs/dbraw/zinc/02/55/83/223025583.db2.gz WHDZNWWUSNGCOW-MRXNPFEDSA-N 0 3 319.361 1.771 20 5 DDBDHN CN1CCN(CC2CN(c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000599109937 357818352 /nfs/dbraw/zinc/81/83/52/357818352.db2.gz YKWNXBBNMSTBJD-UHFFFAOYSA-N 0 3 308.357 1.418 20 5 DDBDHN O=[N+]([O-])c1ccc(NCCN2CC[C@H](O)C2)cc1OC(F)F ZINC000599199649 357847318 /nfs/dbraw/zinc/84/73/18/357847318.db2.gz OKHXORDZWDOXKY-JTQLQIEISA-N 0 3 317.292 1.675 20 5 DDBDHN CCN1CCC[C@@H]1CN(C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181151804 199257575 /nfs/dbraw/zinc/25/75/75/199257575.db2.gz KJFQPMGMTFAQBS-LLVKDONJSA-N 0 3 306.366 1.733 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCC[C@@H]1CCO ZINC000348155289 283393890 /nfs/dbraw/zinc/39/38/90/283393890.db2.gz BYFQUVZCXWMXOM-TZMCWYRMSA-N 0 3 321.377 1.982 20 5 DDBDHN C[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)CN1 ZINC000237529635 202272514 /nfs/dbraw/zinc/27/25/14/202272514.db2.gz PYIISFVIGGMCLO-IUCAKERBSA-N 0 3 303.322 1.294 20 5 DDBDHN CO[C@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1C ZINC000189318114 200381094 /nfs/dbraw/zinc/38/10/94/200381094.db2.gz UBUONCFZSBKOJG-INWMFGNUSA-N 0 3 324.377 1.691 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000611296529 360692994 /nfs/dbraw/zinc/69/29/94/360692994.db2.gz OBTRIUBXJWHWSQ-HNNXBMFYSA-N 0 3 320.393 1.989 20 5 DDBDHN CNc1c(C(=O)N[C@H]2CCN(CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000613233718 361340519 /nfs/dbraw/zinc/34/05/19/361340519.db2.gz XIWSRVOAGLCZLN-LBPRGKRZSA-N 0 3 318.377 1.851 20 5 DDBDHN COc1ccc(OCCN2CCC[C@H](O)CC2)c([N+](=O)[O-])c1 ZINC000293131635 223410489 /nfs/dbraw/zinc/41/04/89/223410489.db2.gz MXEYIXUNUVRPPJ-LBPRGKRZSA-N 0 3 310.350 1.829 20 5 DDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000288184252 220003772 /nfs/dbraw/zinc/00/37/72/220003772.db2.gz BSBPXEHBEWNVLH-YPMHNXCESA-N 0 3 318.377 1.876 20 5 DDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000264577158 204006227 /nfs/dbraw/zinc/00/62/27/204006227.db2.gz ITHNVOLSRVZSMM-LLVKDONJSA-N 0 3 319.365 1.153 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(C3CC3)C2)c1 ZINC000264595003 204016932 /nfs/dbraw/zinc/01/69/32/204016932.db2.gz AYWYXVQJSNDVTL-LLVKDONJSA-N 0 3 319.361 1.818 20 5 DDBDHN C[C@@H](O)C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000264731285 204111644 /nfs/dbraw/zinc/11/16/44/204111644.db2.gz POJNKIGCSORZQE-DOMZBBRYSA-N 0 3 324.377 1.427 20 5 DDBDHN Cc1ccc(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000266480783 205376911 /nfs/dbraw/zinc/37/69/11/205376911.db2.gz SWXUSVXOTYHJJO-HNNXBMFYSA-N 0 3 304.350 1.593 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC2(c3ccccc3)CCC2)c1 ZINC000266630789 205488189 /nfs/dbraw/zinc/48/81/89/205488189.db2.gz ITATVOXCTLIBQF-HNNXBMFYSA-N 0 3 316.361 1.821 20 5 DDBDHN Cc1n[n-]c(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000267465605 206087500 /nfs/dbraw/zinc/08/75/00/206087500.db2.gz RVBYTOZUBMSKCM-NSHDSACASA-N 0 3 318.337 1.436 20 5 DDBDHN CNC(=O)c1ccc(N(C)[C@H]2CCN(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000267599238 206164801 /nfs/dbraw/zinc/16/48/01/206164801.db2.gz JBFABSXIDMFDPH-YPMHNXCESA-N 0 3 320.393 1.731 20 5 DDBDHN C[C@@H](CC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000336818314 249236496 /nfs/dbraw/zinc/23/64/96/249236496.db2.gz VACLXOFDCXAZIX-ZETCQYMHSA-N 0 3 307.759 1.264 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284408554 218014953 /nfs/dbraw/zinc/01/49/53/218014953.db2.gz NUHFCYSEFFQDDC-ISVAXAHUSA-N 0 3 322.340 1.529 20 5 DDBDHN COCCN(CCN(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000104771899 194037274 /nfs/dbraw/zinc/03/72/74/194037274.db2.gz CNDMKVZBGNPJRW-UHFFFAOYSA-N 0 3 310.354 1.637 20 5 DDBDHN Cc1cc(C(=O)NC[C@H](C)N(C)C2CC2)c(N)c([N+](=O)[O-])c1 ZINC000104897064 194051310 /nfs/dbraw/zinc/05/13/10/194051310.db2.gz MJFPIJRNQITTNS-JTQLQIEISA-N 0 3 306.366 1.698 20 5 DDBDHN CC(C)[C@@H](CCO)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000273937980 211193119 /nfs/dbraw/zinc/19/31/19/211193119.db2.gz CYXPUKZINAWZAG-BXUZGUMPSA-N 0 3 309.366 1.918 20 5 DDBDHN CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CCN1C[C@@H](C)O ZINC000105825380 194138682 /nfs/dbraw/zinc/13/86/82/194138682.db2.gz CQQJVZJJQAKOOM-UKRRQHHQSA-N 0 3 307.394 1.872 20 5 DDBDHN O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc([N+](=O)[O-])n[n-]1 ZINC000285077626 218282254 /nfs/dbraw/zinc/28/22/54/218282254.db2.gz RUCPQXRSHYCBEH-NSHDSACASA-N 0 3 319.321 1.478 20 5 DDBDHN CCN1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000110007025 194303074 /nfs/dbraw/zinc/30/30/74/194303074.db2.gz KRQTYFVJTXQOKC-UHFFFAOYSA-N 0 3 306.366 1.561 20 5 DDBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157305927 197177930 /nfs/dbraw/zinc/17/79/30/197177930.db2.gz SCUBNYFGNCYQMZ-OCCSQVGLSA-N 0 3 321.381 1.124 20 5 DDBDHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000154925132 197006109 /nfs/dbraw/zinc/00/61/09/197006109.db2.gz IYGCODNEPSMXDP-LLVKDONJSA-N 0 3 323.397 1.948 20 5 DDBDHN NC(=O)c1ccc(CN[C@@H](CO)C2CCCC2)c([N+](=O)[O-])c1 ZINC000289635431 221118368 /nfs/dbraw/zinc/11/83/68/221118368.db2.gz UNAZAOZXSXSTAT-ZDUSSCGKSA-N 0 3 307.350 1.334 20 5 DDBDHN CCS(=O)(=O)CCCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414539439 224349914 /nfs/dbraw/zinc/34/99/14/224349914.db2.gz DPOHSEKARCCHGH-UHFFFAOYSA-N 0 3 316.379 1.518 20 5 DDBDHN CC(C)[C@](C)(CO)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000352908377 285379912 /nfs/dbraw/zinc/37/99/12/285379912.db2.gz GXNHEMFBSQESRJ-INIZCTEOSA-N 0 3 321.377 1.481 20 5 DDBDHN CC(C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000079754018 407062569 /nfs/dbraw/zinc/06/25/69/407062569.db2.gz OLCHRUNNWHONBU-VIFPVBQESA-N 0 3 314.363 1.379 20 5 DDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000090554574 407169444 /nfs/dbraw/zinc/16/94/44/407169444.db2.gz RXXQAWZWGBXOIU-CFVMTHIKSA-N 0 3 321.377 1.502 20 5 DDBDHN CN1CCC[C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000108566545 407388335 /nfs/dbraw/zinc/38/83/35/407388335.db2.gz WZPLDULUABCJAH-CYBMUJFWSA-N 0 3 306.366 1.736 20 5 DDBDHN CNC(=O)[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000111265911 407403746 /nfs/dbraw/zinc/40/37/46/407403746.db2.gz IMYRYRYBWOLBGF-GFCCVEGCSA-N 0 3 307.350 1.432 20 5 DDBDHN CN1CCN([C@H]2CCCCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000127027289 407425962 /nfs/dbraw/zinc/42/59/62/407425962.db2.gz FXPCDCBJBWTJIZ-HNNXBMFYSA-N 0 3 319.409 1.596 20 5 DDBDHN Cc1ccc([C@H](C)NC[C@H](O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000181830921 306700461 /nfs/dbraw/zinc/70/04/61/306700461.db2.gz XGFWDNLRUCQRMJ-ZFWWWQNUSA-N 0 3 323.393 1.247 20 5 DDBDHN C[C@H]1C[C@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCN1C ZINC000127574513 407442202 /nfs/dbraw/zinc/44/22/02/407442202.db2.gz HOTGFEGXIAZZMS-GXSJLCMTSA-N 0 3 324.356 1.871 20 5 DDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN2CCC[C@@H]2C1 ZINC000178632991 407519301 /nfs/dbraw/zinc/51/93/01/407519301.db2.gz OTVMHRMIFUDWKR-CHWSQXEVSA-N 0 3 318.377 1.702 20 5 DDBDHN Cc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c(CN(C)C)c1 ZINC000113912277 407530663 /nfs/dbraw/zinc/53/06/63/407530663.db2.gz FPAAPSHBAYYECA-UHFFFAOYSA-N 0 3 317.349 1.800 20 5 DDBDHN CCc1ccc(C(=O)NC[C@@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000153091566 407750511 /nfs/dbraw/zinc/75/05/11/407750511.db2.gz MDNDHTDNABBCJS-OAHLLOKOSA-N 0 3 309.366 1.200 20 5 DDBDHN C[NH2+]C[C@H](C)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000133225987 407824981 /nfs/dbraw/zinc/82/49/81/407824981.db2.gz AQYZKIDFIAUANL-VIFPVBQESA-N 0 3 301.368 1.037 20 5 DDBDHN CNC(=O)c1ccc(N[C@@H]2C[C@H](C)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000133550734 407857541 /nfs/dbraw/zinc/85/75/41/407857541.db2.gz YXRJVUHWJAOUHU-CMPLNLGQSA-N 0 3 318.377 1.992 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000173715084 407895383 /nfs/dbraw/zinc/89/53/83/407895383.db2.gz KNMYGBMURUTIJY-ZDUSSCGKSA-N 0 3 306.366 1.878 20 5 DDBDHN C[C@H]1NCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000262741874 407915157 /nfs/dbraw/zinc/91/51/57/407915157.db2.gz DXTLNTSYLSMOFW-RKDXNWHRSA-N 0 3 303.322 1.294 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134624426 407918174 /nfs/dbraw/zinc/91/81/74/407918174.db2.gz OVTZDWVUJZGSED-ZDUSSCGKSA-N 0 3 316.361 1.829 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272577426 407991647 /nfs/dbraw/zinc/99/16/47/407991647.db2.gz GJQORMICQLVFOZ-SWLSCSKDSA-N 0 3 319.361 1.526 20 5 DDBDHN C[C@@]1(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000273089673 408053303 /nfs/dbraw/zinc/05/33/03/408053303.db2.gz SGROLSBFJMCHEM-GOEBONIOSA-N 0 3 319.361 1.741 20 5 DDBDHN CN(C)C1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000273378659 408174571 /nfs/dbraw/zinc/17/45/71/408174571.db2.gz YNSOLSGQWIRCPD-UHFFFAOYSA-N 0 3 304.350 1.237 20 5 DDBDHN COCCN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000141605888 408179894 /nfs/dbraw/zinc/17/98/94/408179894.db2.gz RGRPFWDTHWUQME-UHFFFAOYSA-N 0 3 321.377 1.744 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)NC[C@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC000269322688 408268988 /nfs/dbraw/zinc/26/89/88/408268988.db2.gz BTBHBPLJDJFSNT-VIFPVBQESA-N 0 3 309.370 1.654 20 5 DDBDHN CN(C[C@@H]1CCN(C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000273674896 408285499 /nfs/dbraw/zinc/28/54/99/408285499.db2.gz YDVNYZKTOZYGDU-LLVKDONJSA-N 0 3 313.379 1.167 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000246556327 408290414 /nfs/dbraw/zinc/29/04/14/408290414.db2.gz KSAGSJCWHRTRND-XJKSGUPXSA-N 0 3 319.409 1.740 20 5 DDBDHN CN(C)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000158946623 408370992 /nfs/dbraw/zinc/37/09/92/408370992.db2.gz VFXVVWUATPWWTL-GFCCVEGCSA-N 0 3 317.349 1.221 20 5 DDBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)CCN1C ZINC000274660454 408486170 /nfs/dbraw/zinc/48/61/70/408486170.db2.gz YSMGRNGSUQXUFB-GHMZBOCLSA-N 0 3 306.366 1.732 20 5 DDBDHN CC[C@@](C)(NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(N)=O ZINC000177133026 408530352 /nfs/dbraw/zinc/53/03/52/408530352.db2.gz TYOLXWLYSNZOET-OAHLLOKOSA-N 0 3 322.365 1.475 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000177213530 408552756 /nfs/dbraw/zinc/55/27/56/408552756.db2.gz CNXGJJXMYGKGBZ-JQWIXIFHSA-N 0 3 321.381 1.231 20 5 DDBDHN COCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000184323976 408590330 /nfs/dbraw/zinc/59/03/30/408590330.db2.gz BZHKHBCYPHHXNA-UHFFFAOYSA-N 0 3 322.365 1.018 20 5 DDBDHN CN(CCN(C)C1CC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248674784 408614118 /nfs/dbraw/zinc/61/41/18/408614118.db2.gz CMFKGAQTQTZNQR-OAHLLOKOSA-N 0 3 323.393 1.361 20 5 DDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CNCC[C@H]1C ZINC000193398516 408715398 /nfs/dbraw/zinc/71/53/98/408715398.db2.gz PKMYYUQZIJFBRR-KOLCDFICSA-N 0 3 313.379 1.180 20 5 DDBDHN CCN1CCC[C@H]1CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000276510832 408872594 /nfs/dbraw/zinc/87/25/94/408872594.db2.gz DTXNBLDIJCIQQA-NSHDSACASA-N 0 3 308.338 1.673 20 5 DDBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000192719597 163233832 /nfs/dbraw/zinc/23/38/32/163233832.db2.gz GEWWHVZQCMCIAP-LLVKDONJSA-N 0 3 315.395 1.603 20 5 DDBDHN COc1cc(C(=O)N2CCN[C@@H](C)[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000277434363 408940083 /nfs/dbraw/zinc/94/00/83/408940083.db2.gz CULVNWUKXWCPQP-VHSXEESVSA-N 0 3 323.349 1.434 20 5 DDBDHN COc1cc(C(=O)NC[C@H]2CCCN2C)c([N+](=O)[O-])cc1OC ZINC000194747249 163295882 /nfs/dbraw/zinc/29/58/82/163295882.db2.gz DXWIZJDRNLQLCR-SNVBAGLBSA-N 0 3 323.349 1.436 20 5 DDBDHN CC(C)N(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000291992230 408957665 /nfs/dbraw/zinc/95/76/65/408957665.db2.gz WXKLQIDYYJDNME-KBPBESRZSA-N 0 3 324.377 1.834 20 5 DDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000286630299 408993120 /nfs/dbraw/zinc/99/31/20/408993120.db2.gz AVRIPBJJNKZIAW-MNOVXSKESA-N 0 3 307.354 1.027 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H](C)N(C3CC3)C2)n1 ZINC000287723355 409082328 /nfs/dbraw/zinc/08/23/28/409082328.db2.gz FKUQSNPAWRNZQE-VHSXEESVSA-N 0 3 320.349 1.814 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2=CCN(C)CC2)c1 ZINC000283207998 409111514 /nfs/dbraw/zinc/11/15/14/409111514.db2.gz RIWFPPZWBAYPBM-UHFFFAOYSA-N 0 3 319.361 1.985 20 5 DDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000288006410 409129661 /nfs/dbraw/zinc/12/96/61/409129661.db2.gz BYYHDDNHMKIDKU-QMMMGPOBSA-N 0 3 310.310 1.491 20 5 DDBDHN CN1CC[C@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)C1 ZINC000293861858 409195994 /nfs/dbraw/zinc/19/59/94/409195994.db2.gz KQOLGHFJYFBELY-HNNXBMFYSA-N 0 3 304.350 1.345 20 5 DDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279486159 409224327 /nfs/dbraw/zinc/22/43/27/409224327.db2.gz RENRAPWRKUQVIZ-TVQRCGJNSA-N 0 3 324.356 1.728 20 5 DDBDHN CN1CC[C@@]2(CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C2)C1 ZINC000293919228 409206863 /nfs/dbraw/zinc/20/68/63/409206863.db2.gz PFPIDGCDDYQZME-MRXNPFEDSA-N 0 3 318.377 1.561 20 5 DDBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)[C@H]2CCOC2)c(Cl)c1 ZINC000280427136 409310919 /nfs/dbraw/zinc/31/09/19/409310919.db2.gz ZUXHPEDLBNTHKG-NWDGAFQWSA-N 0 3 314.769 1.983 20 5 DDBDHN CC[C@H](C)N1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000296080093 409422107 /nfs/dbraw/zinc/42/21/07/409422107.db2.gz PELNHZMVQTYRIG-LBPRGKRZSA-N 0 3 320.393 1.610 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN[C@]2(CO)CCc3ccccc32)c1 ZINC000305255589 164001331 /nfs/dbraw/zinc/00/13/31/164001331.db2.gz WJXXPUIMBFNZJM-HNNXBMFYSA-N 0 3 302.334 1.215 20 5 DDBDHN Cc1cn(C[C@H](O)CN2CCc3ccccc3C2)nc1[N+](=O)[O-] ZINC000362330340 164156439 /nfs/dbraw/zinc/15/64/39/164156439.db2.gz PSJLOTRDHNHEIG-OAHLLOKOSA-N 0 3 316.361 1.519 20 5 DDBDHN CCN1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000303971317 409555465 /nfs/dbraw/zinc/55/54/65/409555465.db2.gz DITLNKOXAYNELE-HNNXBMFYSA-N 0 3 323.393 1.362 20 5 DDBDHN CN(Cc1ccc(F)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304290950 409597741 /nfs/dbraw/zinc/59/77/41/409597741.db2.gz GNVBVCABYHPNED-AWEZNQCLSA-N 0 3 308.313 1.423 20 5 DDBDHN Cn1nccc1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331583369 409662144 /nfs/dbraw/zinc/66/21/44/409662144.db2.gz JXSPGIIVHCIEDI-QWHCGFSZSA-N 0 3 304.354 1.798 20 5 DDBDHN CCc1nn(C)c(NC[C@@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000354550234 409933932 /nfs/dbraw/zinc/93/39/32/409933932.db2.gz ZYEKEUHYBWTXBI-ZDUSSCGKSA-N 0 3 313.427 1.740 20 5 DDBDHN C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)CN1C ZINC000332228479 409995733 /nfs/dbraw/zinc/99/57/33/409995733.db2.gz LIEXJGVTLDXTAY-QWRGUYRKSA-N 0 3 303.366 1.996 20 5 DDBDHN COc1cc(C(=O)NC[C@@H](C)N(C)C)c([N+](=O)[O-])cc1OC ZINC000298367140 410199251 /nfs/dbraw/zinc/19/92/51/410199251.db2.gz SNDBCCTXTPFGAW-SECBINFHSA-N 0 3 311.338 1.292 20 5 DDBDHN Nc1nc(N[C@@H]2CCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000298746872 410379191 /nfs/dbraw/zinc/37/91/91/410379191.db2.gz UXLCKKDRVNBIOG-GFCCVEGCSA-N 0 3 314.349 1.653 20 5 DDBDHN COCCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C1CCN(C)CC1 ZINC000358234223 410413944 /nfs/dbraw/zinc/41/39/44/410413944.db2.gz WRVFVIPGHUEIEG-UHFFFAOYSA-N 0 3 324.381 1.496 20 5 DDBDHN CCN1CCC[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000330436399 410689986 /nfs/dbraw/zinc/68/99/86/410689986.db2.gz MMIPFIFGOJRHSM-LLVKDONJSA-N 0 3 309.370 1.127 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000343914970 410803209 /nfs/dbraw/zinc/80/32/09/410803209.db2.gz WJUIARQZKPMYLV-IUODEOHRSA-N 0 3 320.393 1.919 20 5 DDBDHN CC[C@@H](CO)NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353210563 410854167 /nfs/dbraw/zinc/85/41/67/410854167.db2.gz PVDZZPSVBXPPLM-NSHDSACASA-N 0 3 312.322 1.007 20 5 DDBDHN Cc1cc(OCC(=O)N(CCN(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000356295553 410949825 /nfs/dbraw/zinc/94/98/25/410949825.db2.gz UJBHUXHTBPNTGT-UHFFFAOYSA-N 0 3 321.377 1.835 20 5 DDBDHN CC(C)([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000129637130 196063808 /nfs/dbraw/zinc/06/38/08/196063808.db2.gz RAZYIPLRVKBSHT-UHFFFAOYSA-N 0 3 307.759 1.264 20 5 DDBDHN CC(C)(O)CN1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000367164090 418565050 /nfs/dbraw/zinc/56/50/50/418565050.db2.gz GJZUVZLCBUOWFK-UHFFFAOYSA-N 0 3 308.382 1.460 20 5 DDBDHN CCc1cnccc1[C@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361133263 418590843 /nfs/dbraw/zinc/59/08/43/418590843.db2.gz VYKSQWKOBJGQFY-FZMZJTMJSA-N 0 3 319.365 1.460 20 5 DDBDHN C[C@H]1CN(C)C[C@@H]1c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000361262701 418614450 /nfs/dbraw/zinc/61/44/50/418614450.db2.gz OOIHAIMKVUPMRK-CABZTGNLSA-N 0 3 303.322 1.629 20 5 DDBDHN C[C@@H]1OCC[C@H]1N(CCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000361588129 418687141 /nfs/dbraw/zinc/68/71/41/418687141.db2.gz XQZHCFNGGAAHAH-XJKSGUPXSA-N 0 3 324.377 1.835 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(F)cc2F)c1 ZINC000385881149 418738612 /nfs/dbraw/zinc/73/86/12/418738612.db2.gz LSBAJLGLTNLNDZ-LBPRGKRZSA-N 0 3 312.276 1.220 20 5 DDBDHN NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000364924585 418822570 /nfs/dbraw/zinc/82/25/70/418822570.db2.gz AXJYWWQSPNTYKW-QEJZJMRPSA-N 0 3 303.362 1.723 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@@H](n3cncn3)C2)cc1 ZINC000372483321 418875907 /nfs/dbraw/zinc/87/59/07/418875907.db2.gz UIJHTGYPADMOLL-CQSZACIVSA-N 0 3 317.349 1.902 20 5 DDBDHN O=C(CCN1CC[C@@]12CCOC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000421016429 419452808 /nfs/dbraw/zinc/45/28/08/419452808.db2.gz JDSXRFSFFZGQGX-HNNXBMFYSA-N 0 3 305.334 1.788 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CNCCO1 ZINC000415484381 420085653 /nfs/dbraw/zinc/08/56/53/420085653.db2.gz OCOLVKYELWBPIO-NSHDSACASA-N 0 3 308.338 1.322 20 5 DDBDHN CSc1ccc(C(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423989779 420293617 /nfs/dbraw/zinc/29/36/17/420293617.db2.gz ISWPADOUXIWFHK-SNVBAGLBSA-N 0 3 311.363 1.035 20 5 DDBDHN CCOC(=O)c1cc(N2C[C@@H]3CCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000450774689 420527382 /nfs/dbraw/zinc/52/73/82/420527382.db2.gz DKZWJMAVTQVMSS-XHDPSFHLSA-N 0 3 319.361 1.912 20 5 DDBDHN CC(C)c1ccc(C(=O)NC[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000439715098 420532936 /nfs/dbraw/zinc/53/29/36/420532936.db2.gz DDFKINXTFFLAEJ-INIZCTEOSA-N 0 3 321.377 1.515 20 5 DDBDHN CNS(=O)(=O)CCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451103148 420591516 /nfs/dbraw/zinc/59/15/16/420591516.db2.gz GJYVWDYDZKKPNZ-JTQLQIEISA-N 0 3 301.368 1.185 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000452982816 420695194 /nfs/dbraw/zinc/69/51/94/420695194.db2.gz BBQPOTZJWNHTBS-IINYFYTJSA-N 0 3 305.334 1.380 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000493134899 420764618 /nfs/dbraw/zinc/76/46/18/420764618.db2.gz WAAYCDOUBMNUSO-WHIKILRWSA-N 0 3 301.346 1.771 20 5 DDBDHN CC(COC(=O)[C@H](C)NC(=O)/C=C\c1ccccc1)[N+](=O)[O-] ZINC000493267276 420803201 /nfs/dbraw/zinc/80/32/01/420803201.db2.gz ODDUBIHLJPSNNW-STNFYNBXSA-N 0 3 306.318 1.413 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](C)N(C)C ZINC000454303538 420833619 /nfs/dbraw/zinc/83/36/19/420833619.db2.gz PXBLPVIKRSHQSL-JTQLQIEISA-N 0 3 310.354 1.353 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000454376810 420849892 /nfs/dbraw/zinc/84/98/92/420849892.db2.gz SVXJJVSKXZDPLH-SNVBAGLBSA-N 0 3 307.354 1.246 20 5 DDBDHN Cc1ccc(CNC[C@@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000449388859 421004652 /nfs/dbraw/zinc/00/46/52/421004652.db2.gz BLIRAJAIMGUPEY-HNNXBMFYSA-N 0 3 307.394 1.840 20 5 DDBDHN CNc1nc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000455996166 421085953 /nfs/dbraw/zinc/08/59/53/421085953.db2.gz OZMSABPLEXPVTN-GWCFXTLKSA-N 0 3 319.365 1.198 20 5 DDBDHN CSC1(CNc2ncc([N+](=O)[O-])c(C)n2)CCN(C)CC1 ZINC000450531376 421206947 /nfs/dbraw/zinc/20/69/47/421206947.db2.gz IFYVCMRKGGASGM-UHFFFAOYSA-N 0 3 311.411 1.933 20 5 DDBDHN CNc1ccc(C(=O)NCCN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000524720578 421268236 /nfs/dbraw/zinc/26/82/36/421268236.db2.gz YRCCZXZAQNUHRW-NSHDSACASA-N 0 3 306.366 1.708 20 5 DDBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548386067 421431042 /nfs/dbraw/zinc/43/10/42/421431042.db2.gz YGYPHONTTFSNJH-MNOVXSKESA-N 0 3 321.381 1.422 20 5 DDBDHN CN(C[C@@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000515017675 421473370 /nfs/dbraw/zinc/47/33/70/421473370.db2.gz CUIHFXCNWDGCTE-CQSZACIVSA-N 0 3 305.378 1.408 20 5 DDBDHN Cc1c(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cnn1C ZINC000517921950 421633506 /nfs/dbraw/zinc/63/35/06/421633506.db2.gz AJADUPTVDVZSGK-ZDUSSCGKSA-N 0 3 320.349 1.166 20 5 DDBDHN Cc1ccccc1[C@H](CO)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000543836030 421842066 /nfs/dbraw/zinc/84/20/66/421842066.db2.gz GSBXFLURHMBEJD-HNNXBMFYSA-N 0 3 317.345 1.388 20 5 DDBDHN O=C(CCNCC(=O)NCC1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000574805868 422185501 /nfs/dbraw/zinc/18/55/01/422185501.db2.gz ODEYTTHEPOETKP-UHFFFAOYSA-N 0 3 320.349 1.039 20 5 DDBDHN C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCN(C2CC2)C1 ZINC000575873025 422341931 /nfs/dbraw/zinc/34/19/31/422341931.db2.gz PJNPGKWQCVAWOG-NSHDSACASA-N 0 3 316.365 1.558 20 5 DDBDHN CNc1nccc(C(=O)N[C@H]2CCN(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597923239 422392161 /nfs/dbraw/zinc/39/21/61/422392161.db2.gz NLLFVHQDVNARIQ-JTQLQIEISA-N 0 3 321.381 1.634 20 5 DDBDHN CC1(C)[C@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000578080378 422492014 /nfs/dbraw/zinc/49/20/14/422492014.db2.gz VCIPYLUFEUKSNS-KGLIPLIRSA-N 0 3 319.361 1.233 20 5 DDBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000344671125 272085401 /nfs/dbraw/zinc/08/54/01/272085401.db2.gz NNNWQHLQNGWAOM-ZDUSSCGKSA-N 0 3 323.397 1.418 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)NC2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000269421244 276041424 /nfs/dbraw/zinc/04/14/24/276041424.db2.gz XKBDVMXRINISHE-UHFFFAOYSA-N 0 3 321.381 1.798 20 5 DDBDHN CCN(CCCNCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000038035483 276123649 /nfs/dbraw/zinc/12/36/49/276123649.db2.gz YXOXBCJCNYERME-UHFFFAOYSA-N 0 3 315.395 1.356 20 5 DDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000299569155 277075833 /nfs/dbraw/zinc/07/58/33/277075833.db2.gz TWYBBGBPBNPAGH-HNNXBMFYSA-N 0 3 318.377 1.338 20 5 DDBDHN CN(C)[C@@]1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCSC1 ZINC000267107042 289341493 /nfs/dbraw/zinc/34/14/93/289341493.db2.gz MGPYDMAVVQLRDU-OAHLLOKOSA-N 0 3 323.418 1.691 20 5 DDBDHN CS[C@@H](C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000572993124 304568508 /nfs/dbraw/zinc/56/85/08/304568508.db2.gz OLTHNFGDJRBJDI-JTQLQIEISA-N 0 3 318.420 1.710 20 5 DDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000356453732 298794956 /nfs/dbraw/zinc/79/49/56/298794956.db2.gz HVRRSTJHIWFMNS-NSHDSACASA-N 0 3 307.354 1.029 20 5 DDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CC12CC[NH2+]CC2 ZINC000367820515 300890687 /nfs/dbraw/zinc/89/06/87/300890687.db2.gz CKRIYKCFJHLFTN-LBPRGKRZSA-N 0 3 311.363 1.015 20 5 DDBDHN Cc1cc(CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1F ZINC000444739333 302394545 /nfs/dbraw/zinc/39/45/45/302394545.db2.gz ADNONFMTAHSAHZ-CQSZACIVSA-N 0 3 322.340 1.732 20 5 DDBDHN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000356867661 306865908 /nfs/dbraw/zinc/86/59/08/306865908.db2.gz MUOZBMXCIJRVAA-NEPJUHHUSA-N 0 3 307.350 1.938 20 5 DDBDHN CN(C)[C@@]1(CNC(=O)c2cc([N+](=O)[O-])cn2C)CCSC1 ZINC000531366046 303242635 /nfs/dbraw/zinc/24/26/35/303242635.db2.gz HNKXJGAIPWGSTC-CYBMUJFWSA-N 0 3 312.395 1.100 20 5 DDBDHN Cc1cc([C@@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)n[nH]1 ZINC000363366752 307026699 /nfs/dbraw/zinc/02/66/99/307026699.db2.gz JRRSYQMPHPLBTH-GFCCVEGCSA-N 0 3 304.354 1.702 20 5 DDBDHN Cc1cc([C@@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)[nH]n1 ZINC000363366752 307026700 /nfs/dbraw/zinc/02/67/00/307026700.db2.gz JRRSYQMPHPLBTH-GFCCVEGCSA-N 0 3 304.354 1.702 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCc2ccccc2[C@H]1CN ZINC000565421923 308030661 /nfs/dbraw/zinc/03/06/61/308030661.db2.gz IWJBCCOFKURXOW-CYBMUJFWSA-N 0 3 301.350 1.386 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(CC3(CO)COC3)C2)cc1 ZINC000574129197 308261901 /nfs/dbraw/zinc/26/19/01/308261901.db2.gz DCTQIXSBBOXCFO-CQSZACIVSA-N 0 3 306.362 1.783 20 5 DDBDHN CC1(C)C(=O)N[C@@H]1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000577072839 308361043 /nfs/dbraw/zinc/36/10/43/308361043.db2.gz CVTMNIXXFVFXQE-CYBMUJFWSA-N 0 3 321.381 1.028 20 5 DDBDHN CN(C)CCOCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000578999819 308500282 /nfs/dbraw/zinc/50/02/82/308500282.db2.gz AKGPCBNKIOKVFJ-UHFFFAOYSA-N 0 3 308.382 1.859 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCCN1CCOCC1 ZINC000582735931 337127824 /nfs/dbraw/zinc/12/78/24/337127824.db2.gz PVTBEXWGXYNTIO-OAHLLOKOSA-N 0 3 305.378 1.894 20 5 DDBDHN Cc1c(CC(=O)N[C@H]2CCN(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331426594 533838994 /nfs/dbraw/zinc/83/89/94/533838994.db2.gz VCCZXDJVSPJGCL-ZDUSSCGKSA-N 0 3 303.362 1.799 20 5 DDBDHN CCO[C@@H]1COC[C@H]1NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451932097 527785987 /nfs/dbraw/zinc/78/59/87/527785987.db2.gz CITSYHBCSRISAQ-TZMCWYRMSA-N 0 3 323.349 1.317 20 5 DDBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000330825860 527928285 /nfs/dbraw/zinc/92/82/85/527928285.db2.gz IITFEEWEBYUZRJ-BETUJISGSA-N 0 3 320.393 1.948 20 5 DDBDHN CC(C)OC[C@@H](CO)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000433165945 528009956 /nfs/dbraw/zinc/00/99/56/528009956.db2.gz JGCJBLGHAHMGIU-CQSZACIVSA-N 0 3 312.366 1.691 20 5 DDBDHN C[NH+](C)[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC000736758372 598386673 /nfs/dbraw/zinc/38/66/73/598386673.db2.gz GRCFSBUEXFDKRF-CYBMUJFWSA-N 0 3 317.353 1.527 20 5 DDBDHN C[NH+](C)[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC000736758372 598386675 /nfs/dbraw/zinc/38/66/75/598386675.db2.gz GRCFSBUEXFDKRF-CYBMUJFWSA-N 0 3 317.353 1.527 20 5 DDBDHN CC[N@@H+]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736571074 598499483 /nfs/dbraw/zinc/49/94/83/598499483.db2.gz PHRRYZCGNLGANA-VIFPVBQESA-N 0 3 318.341 1.066 20 5 DDBDHN CC[N@H+]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736571074 598499485 /nfs/dbraw/zinc/49/94/85/598499485.db2.gz PHRRYZCGNLGANA-VIFPVBQESA-N 0 3 318.341 1.066 20 5 DDBDHN CC[N@@H+]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736571074 598499487 /nfs/dbraw/zinc/49/94/87/598499487.db2.gz PHRRYZCGNLGANA-VIFPVBQESA-N 0 3 318.341 1.066 20 5 DDBDHN CC[N@H+]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736571074 598499489 /nfs/dbraw/zinc/49/94/89/598499489.db2.gz PHRRYZCGNLGANA-VIFPVBQESA-N 0 3 318.341 1.066 20 5 DDBDHN COC(=O)[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000787328292 699206069 /nfs/dbraw/zinc/20/60/69/699206069.db2.gz QKQBRDZKFRECBF-LERXQTSPSA-N 0 3 308.334 1.512 20 5 DDBDHN COC[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000789384746 699383403 /nfs/dbraw/zinc/38/34/03/699383403.db2.gz ZQDOITRPNQAWHQ-KKUMJFAQSA-N 0 3 310.350 1.412 20 5 DDBDHN Cc1nc2n(n1)C[C@H](NCc1cccc([N+](=O)[O-])c1C)CC2 ZINC000729931725 699495415 /nfs/dbraw/zinc/49/54/15/699495415.db2.gz TZDLLEMAHNAFNK-CYBMUJFWSA-N 0 3 301.350 1.908 20 5 DDBDHN C[C@@H]1OCC[C@@H]1N(CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796575365 699939817 /nfs/dbraw/zinc/93/98/17/699939817.db2.gz OILNKEAFOLEXGZ-CQDKDKBSSA-N 0 3 310.350 1.100 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000744385199 699947497 /nfs/dbraw/zinc/94/74/97/699947497.db2.gz MZKFFYHYVHAYNT-IUODEOHRSA-N 0 3 316.361 1.772 20 5 DDBDHN C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000761074705 700839621 /nfs/dbraw/zinc/83/96/21/700839621.db2.gz FDRSQCOXOXFEPJ-LBPRGKRZSA-N 0 3 306.366 1.559 20 5 DDBDHN C[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815594889 701901981 /nfs/dbraw/zinc/90/19/81/701901981.db2.gz AYSMIFFJSBSHFP-MWLCHTKSSA-N 0 3 304.350 1.591 20 5 DDBDHN CN1CCN(C2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)CC1 ZINC000866213166 706651192 /nfs/dbraw/zinc/65/11/92/706651192.db2.gz MUTXULHZIVTXKS-UHFFFAOYSA-N 0 3 319.409 1.393 20 5 DDBDHN CC(COC(=O)CCC(=O)N1CCOc2ccccc21)[N+](=O)[O-] ZINC000813102094 702290844 /nfs/dbraw/zinc/29/08/44/702290844.db2.gz NTGAMZJNULOQFX-NSHDSACASA-N 0 3 322.317 1.401 20 5 DDBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])c([N+](=O)[O-])cc1OC ZINC000813105691 702292846 /nfs/dbraw/zinc/29/28/46/702292846.db2.gz RVTZMMNZPAYZRG-ZETCQYMHSA-N 0 3 314.250 1.434 20 5 DDBDHN CC(COC(=O)CCCNC(=O)c1ccc(F)cc1)[N+](=O)[O-] ZINC000813104993 702293205 /nfs/dbraw/zinc/29/32/05/702293205.db2.gz IXPGNYPGESGTIA-SNVBAGLBSA-N 0 3 312.297 1.544 20 5 DDBDHN CC(COC(=O)[C@@H](C)NC(=O)CCc1ccccc1)[N+](=O)[O-] ZINC000813107555 702294005 /nfs/dbraw/zinc/29/40/05/702294005.db2.gz SWVRGCSRVWVKSS-NWDGAFQWSA-N 0 3 308.334 1.332 20 5 DDBDHN CCc1ccc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813108478 702294919 /nfs/dbraw/zinc/29/49/19/702294919.db2.gz YWCSLFFBBPGLPF-YPMHNXCESA-N 0 3 320.345 1.810 20 5 DDBDHN CC(COC(=O)COc1cccc(N2CCCC2=O)c1)[N+](=O)[O-] ZINC000813109292 702295464 /nfs/dbraw/zinc/29/54/64/702295464.db2.gz HPUIGBJFEZFXRI-LLVKDONJSA-N 0 3 322.317 1.401 20 5 DDBDHN CC(COC(=O)C[C@@H](C)NC(=O)C1CCCCC1)[N+](=O)[O-] ZINC000813110070 702296515 /nfs/dbraw/zinc/29/65/15/702296515.db2.gz ZEBFNBUAAFTZTQ-MNOVXSKESA-N 0 3 300.355 1.670 20 5 DDBDHN CC(COC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[N+](=O)[O-] ZINC000813113285 702297922 /nfs/dbraw/zinc/29/79/22/702297922.db2.gz CTIZDBZCBGDDEA-SECBINFHSA-N 0 3 320.261 1.603 20 5 DDBDHN CC(COC(=O)CN1c2ccccc2O[C@H](C)C1=O)[N+](=O)[O-] ZINC000813113620 702298501 /nfs/dbraw/zinc/29/85/01/702298501.db2.gz HEFBROYRXDZWRH-NXEZZACHSA-N 0 3 308.290 1.009 20 5 DDBDHN CCc1ccccc1-n1cc(C(=O)OCC(C)[N+](=O)[O-])nn1 ZINC000842363307 702709007 /nfs/dbraw/zinc/70/90/07/702709007.db2.gz FNYWHNMFXHDZKM-JTQLQIEISA-N 0 3 304.306 1.652 20 5 DDBDHN CC(COC(=O)C[C@H](C)n1cc(Br)cn1)[N+](=O)[O-] ZINC000842802337 702776441 /nfs/dbraw/zinc/77/64/41/702776441.db2.gz VQYLRCOGKLTFMM-JGVFFNPUSA-N 0 3 320.143 1.805 20 5 DDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000843893515 702938942 /nfs/dbraw/zinc/93/89/42/702938942.db2.gz OGNNCZXIKKXBTD-GXFFZTMASA-N 0 3 307.325 1.818 20 5 DDBDHN CC(C)[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000879600434 706734108 /nfs/dbraw/zinc/73/41/08/706734108.db2.gz DSZVMHCACQMVPF-HZPDHXFCSA-N 0 3 307.394 1.900 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H]2CCCn3nccc32)cc1 ZINC000850432432 703730961 /nfs/dbraw/zinc/73/09/61/703730961.db2.gz BQOHYKHQMFZVDD-UKRRQHHQSA-N 0 3 302.334 1.949 20 5 DDBDHN O=[N+]([O-])c1ccc2nc(NCCN3CC[C@H](O)C3)sc2c1 ZINC000858868126 704766617 /nfs/dbraw/zinc/76/66/17/704766617.db2.gz VNGOJRMPHUPKGD-JTQLQIEISA-N 0 3 308.363 1.683 20 5 DDBDHN COCCN1CCC[C@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823113408 705143787 /nfs/dbraw/zinc/14/37/87/705143787.db2.gz XIVHQOZSCMMKSN-LBPRGKRZSA-N 0 3 301.387 1.049 20 5 DDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000874850086 705203578 /nfs/dbraw/zinc/20/35/78/705203578.db2.gz NUJBKPZLAIGDOE-STQMWFEESA-N 0 3 304.350 1.486 20 5 DDBDHN CC1CCN(CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825078714 705595128 /nfs/dbraw/zinc/59/51/28/705595128.db2.gz AKRSLBJBUKUSJJ-HNNXBMFYSA-N 0 3 321.377 1.476 20 5 DDBDHN Cc1ccc(CNC(=S)NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000865264399 706391400 /nfs/dbraw/zinc/39/14/00/706391400.db2.gz WSLFOSKAZFCHNA-UHFFFAOYSA-N 0 3 322.434 1.962 20 5 DDBDHN Cc1ccc(CNC[C@]23COC(=O)N2CCOC3)cc1[N+](=O)[O-] ZINC000865769732 706521281 /nfs/dbraw/zinc/52/12/81/706521281.db2.gz XYJPXZZFFOPAQP-HNNXBMFYSA-N 0 3 321.333 1.214 20 5 DDBDHN CN1CCC[C@H]2[C@H]1CCN2c1nc2sccn2c1[N+](=O)[O-] ZINC000872779842 707597072 /nfs/dbraw/zinc/59/70/72/707597072.db2.gz IWZUHWKZZBEOFM-ZJUUUORDSA-N 0 3 307.379 1.977 20 5 DDBDHN Cc1c(CNC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)cccc1[N+](=O)[O-] ZINC000873100936 707732096 /nfs/dbraw/zinc/73/20/96/707732096.db2.gz JFLDRMWLZHQZRB-ZFWWWQNUSA-N 0 3 321.377 1.629 20 5 DDBDHN CC(COC(=O)C1([C@@H]2CCCCO2)CCOCC1)[N+](=O)[O-] ZINC000873532370 707887710 /nfs/dbraw/zinc/88/77/10/707887710.db2.gz GUTSXNYYBXWZKY-NEPJUHHUSA-N 0 3 301.339 1.561 20 5 DDBDHN Cc1ccnc(N2CC[C@@H]3[C@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC000897222605 708259834 /nfs/dbraw/zinc/25/98/34/708259834.db2.gz WEXNUHHKLXNZFT-CHWSQXEVSA-N 0 3 306.366 1.334 20 5 DDBDHN CC[C@H](NCC[N+](=O)[O-])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000905185545 711962098 /nfs/dbraw/zinc/96/20/98/711962098.db2.gz CGXITHDNGGHOSC-LSDHHAIUSA-N 0 3 303.366 1.821 20 5 DDBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2COC[C@H]2C)cccc1[N+](=O)[O-] ZINC000905864731 712169379 /nfs/dbraw/zinc/16/93/79/712169379.db2.gz FTAJOIXJCNTKFP-CDMKHQONSA-N 0 3 307.350 1.855 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)NC(C)(C)CO ZINC000916572459 713458605 /nfs/dbraw/zinc/45/86/05/713458605.db2.gz IVVACCLVWZHMPF-SECBINFHSA-N 0 3 311.338 1.291 20 5 DDBDHN O=[N+]([O-])c1ccc(CCN2CCN(CCCCCO)CC2)cc1 ZINC000931500912 714113078 /nfs/dbraw/zinc/11/30/78/714113078.db2.gz QUTAQRFZQHSLSA-UHFFFAOYSA-N 0 3 321.421 1.918 20 5 DDBDHN O=C1NC[C@@H](O)CC12CCN(Cc1ccccc1[N+](=O)[O-])CC2 ZINC000932831032 714421769 /nfs/dbraw/zinc/42/17/69/714421769.db2.gz LCFNWULEEVYOHX-ZDUSSCGKSA-N 0 3 319.361 1.058 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NCCN1CCCC(C)(C)C1 ZINC000935679046 715116116 /nfs/dbraw/zinc/11/61/16/715116116.db2.gz WBMCNXXJXRPHBY-UHFFFAOYSA-N 0 3 323.397 1.338 20 5 DDBDHN NCc1nn(-c2ccc([N+](=O)[O-])c3c2CNC3=O)c2ccccc12 ZINC001167701982 736308491 /nfs/dbraw/zinc/30/84/91/736308491.db2.gz ZAJIZCZVXCTMOX-UHFFFAOYSA-N 0 3 323.312 1.636 20 5 DDBDHN CCN(CC)CC(=O)NCCN(C)c1ccccc1[N+](=O)[O-] ZINC001100121181 761909190 /nfs/dbraw/zinc/90/91/90/761909190.db2.gz KCNPZMWJOVCVKS-UHFFFAOYSA-N 0 3 308.382 1.489 20 5 DDBDHN CCN(CC)CC(=O)NCCN(C)c1cc(C)c([N+](=O)[O-])cn1 ZINC001100125763 762022212 /nfs/dbraw/zinc/02/22/12/762022212.db2.gz LQRDMBHKMCOKQY-UHFFFAOYSA-N 0 3 323.397 1.192 20 5 DDBDHN C[C@@H](N)c1ccn(-c2ncnc3cc(F)c([N+](=O)[O-])cc32)n1 ZINC001169229535 762291249 /nfs/dbraw/zinc/29/12/49/762291249.db2.gz JXNYXDQFNGQQEG-SSDOTTSWSA-N 0 3 302.269 1.883 20 5 DDBDHN COC(=O)Cc1ccc(N[C@H](C)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170569580 768182728 /nfs/dbraw/zinc/18/27/28/768182728.db2.gz JVDCMZVOQCMDKM-YGRLFVJLSA-N 0 3 323.349 1.099 20 5 DDBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCCc2ccccc2)C1 ZINC001042710232 764378682 /nfs/dbraw/zinc/37/86/82/764378682.db2.gz AMQAJJGEHDTWDQ-HZPDHXFCSA-N 0 3 317.389 1.427 20 5 DDBDHN COc1nc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)co1 ZINC001131920895 768489055 /nfs/dbraw/zinc/48/90/55/768489055.db2.gz NTTIBXNCBFLFFP-UHFFFAOYSA-N 0 3 320.305 1.111 20 5 DDBDHN Cc1c(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)ccn1C ZINC001133492485 769895808 /nfs/dbraw/zinc/89/58/08/769895808.db2.gz PFLXHKSYHRZAKZ-UHFFFAOYSA-N 0 3 316.361 1.761 20 5 DDBDHN CCCN(C)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001097053150 771599909 /nfs/dbraw/zinc/59/99/09/771599909.db2.gz LPVBEKKKFYVWQE-HAQNSBGRSA-N 0 3 321.381 1.391 20 5 DDBDHN CN(C)C1(C(=O)NCCCNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001094621793 776142046 /nfs/dbraw/zinc/14/20/46/776142046.db2.gz GWMAFEUPSKVNGW-UHFFFAOYSA-N 0 3 320.393 1.997 20 5 DDBDHN O=C(Cn1cccn1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001154599432 861260712 /nfs/dbraw/zinc/26/07/12/861260712.db2.gz BHFBOTNFYNLBDV-UHFFFAOYSA-N 0 3 323.378 1.149 20 5 DDBDHN C[C@@H]1NC[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001122179334 858704757 /nfs/dbraw/zinc/70/47/57/858704757.db2.gz DAABOGCNVQUXJI-SRVKXCTJSA-N 0 3 307.350 1.571 20 5 DDBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC001122264871 858730155 /nfs/dbraw/zinc/73/01/55/858730155.db2.gz YEIVEBPUKOIWMF-SDDRHHMPSA-N 0 3 307.350 1.571 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1Cn1cc(CNCC2CC2)nn1 ZINC001330785285 864603593 /nfs/dbraw/zinc/60/35/93/864603593.db2.gz GVYDTYDWFKSCOA-UHFFFAOYSA-N 0 3 317.349 1.743 20 5 DDBDHN CSc1nc(Cl)nc(N2CCNC3(CC3)C2)c1[N+](=O)[O-] ZINC001158936902 864985027 /nfs/dbraw/zinc/98/50/27/864985027.db2.gz VPTJLLZGQNLJBA-UHFFFAOYSA-N 0 3 315.786 1.702 20 5 DDBDHN C[C@H](Nc1ccc2c(cccc2[N+](=O)[O-])n1)[C@H]1CNCCO1 ZINC001159500679 865359487 /nfs/dbraw/zinc/35/94/87/865359487.db2.gz XBXPAYNVFKJOAW-IINYFYTJSA-N 0 3 302.334 1.932 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1N1CCC(CN2CCOCC2)CC1 ZINC001320897703 867108594 /nfs/dbraw/zinc/10/85/94/867108594.db2.gz IOMLRWRRPQWDHX-UHFFFAOYSA-N 0 3 320.393 1.847 20 5 DDBDHN O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001335117117 868076725 /nfs/dbraw/zinc/07/67/25/868076725.db2.gz KNCAUYVTBUACJQ-CHWSQXEVSA-N 0 3 309.341 1.769 20 5 DDBDHN CN(C)C1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1 ZINC001163934068 868803509 /nfs/dbraw/zinc/80/35/09/868803509.db2.gz YJUAZYAXYHCWRJ-UHFFFAOYSA-N 0 3 306.700 1.938 20 5 DDBDHN N[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C[C@@H]1F ZINC001165118524 869385648 /nfs/dbraw/zinc/38/56/48/869385648.db2.gz ICMSWAIZZQDBBM-NTSWFWBYSA-N 0 3 310.663 1.674 20 5 DDBDHN CCn1c(CCC[N+](=O)[O-])nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001340012699 870837555 /nfs/dbraw/zinc/83/75/55/870837555.db2.gz TVFQQSITVPWUBU-OLZOCXBDSA-N 0 3 324.429 1.426 20 5 DDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(OCC(N)=O)CC1 ZINC001319045631 872410806 /nfs/dbraw/zinc/41/08/06/872410806.db2.gz YZSHSDJTKAVXFC-LLVKDONJSA-N 0 3 307.350 1.622 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC001216480422 876955257 /nfs/dbraw/zinc/95/52/57/876955257.db2.gz OOXXHZJHZFUMOH-ZYHUDNBSSA-N 0 3 319.365 1.324 20 5 DDBDHN COC(=O)c1c(CO[C@@H]2CN3CCC2CC3)cccc1[N+](=O)[O-] ZINC001223293705 880908183 /nfs/dbraw/zinc/90/81/83/880908183.db2.gz CGTYLASEBJETDQ-CQSZACIVSA-N 0 3 320.345 1.992 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCC(N3C[C@H](F)C[C@H]3CO)CC2)cc1 ZINC001254476643 896457153 /nfs/dbraw/zinc/45/71/53/896457153.db2.gz VBRIJEVUWVHYRR-WBMJQRKESA-N 0 3 323.368 1.968 20 5 DDBDHN COc1ccc(CC(=O)N2[C@H](C)CN[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC001263201402 900530600 /nfs/dbraw/zinc/53/06/00/900530600.db2.gz DTPGHCUYBQIKSR-WOPDTQHZSA-N 0 3 321.377 1.743 20 5 DDBDHN CC(=O)N1CCC(O)(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001281588078 905068765 /nfs/dbraw/zinc/06/87/65/905068765.db2.gz ZZPUIPVCJABDNM-UHFFFAOYSA-N 0 3 307.350 1.058 20 5 DDBDHN CO[C@@H]1CCC[C@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451634023 231145574 /nfs/dbraw/zinc/14/55/74/231145574.db2.gz TXHZIBORUCWLHD-RBSFLKMASA-N 0 3 319.361 1.857 20 5 DDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H](CO)CC(C)(C)C ZINC000451787209 529939473 /nfs/dbraw/zinc/93/94/73/529939473.db2.gz JIRMTCMDTUNMDX-ZDUSSCGKSA-N 0 3 311.382 1.485 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491889106 530063181 /nfs/dbraw/zinc/06/31/81/530063181.db2.gz UURSUSVHMRGDDF-VGVVRCBHSA-N 0 3 307.325 1.958 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCN1C ZINC000330889570 232140014 /nfs/dbraw/zinc/14/00/14/232140014.db2.gz BMNRAYCQQARCQI-QWRGUYRKSA-N 0 3 309.370 1.125 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CCN1C ZINC000330915846 232160650 /nfs/dbraw/zinc/16/06/50/232160650.db2.gz URUDUWLRVLFSNW-NWDGAFQWSA-N 0 3 306.366 1.606 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](O)C(C)(C)C1 ZINC000279892495 215212211 /nfs/dbraw/zinc/21/22/11/215212211.db2.gz UTQUEMFBGFGHDF-AWEZNQCLSA-N 0 3 321.377 1.935 20 5 DDBDHN CN(C)C1(CN(C)C(=O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000188047590 186249597 /nfs/dbraw/zinc/24/95/97/186249597.db2.gz CYUBOIBCJCUZHB-UHFFFAOYSA-N 0 3 321.377 1.916 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000053678007 352663600 /nfs/dbraw/zinc/66/36/00/352663600.db2.gz ASQJICWDSOAIJD-LBPRGKRZSA-N 0 3 306.366 1.851 20 5 DDBDHN CC(C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000055467231 352735152 /nfs/dbraw/zinc/73/51/52/352735152.db2.gz ACHQLVGDNWBZEI-RKDXNWHRSA-N 0 3 300.336 1.205 20 5 DDBDHN CN(CCNC(=O)CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000058857002 352854534 /nfs/dbraw/zinc/85/45/34/352854534.db2.gz FIALAGGNWKPIFE-UHFFFAOYSA-N 0 3 307.350 1.574 20 5 DDBDHN C[C@H](NCCOCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000173444183 198215627 /nfs/dbraw/zinc/21/56/27/198215627.db2.gz VABBPLKZTDUUJO-NSHDSACASA-N 0 3 316.379 1.307 20 5 DDBDHN CCN(CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000069442612 353161728 /nfs/dbraw/zinc/16/17/28/353161728.db2.gz GFGNPXBAAGMHNI-UHFFFAOYSA-N 0 3 321.377 1.746 20 5 DDBDHN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)Cc1ccccc1 ZINC000076460892 353421607 /nfs/dbraw/zinc/42/16/07/353421607.db2.gz NULPPDFHKTYSRL-GFCCVEGCSA-N 0 3 316.365 1.552 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000077555743 353475537 /nfs/dbraw/zinc/47/55/37/353475537.db2.gz MPUMEBHXDNTISZ-CYBMUJFWSA-N 0 3 321.377 1.964 20 5 DDBDHN CN(CC(=O)NCCN(C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000079738804 353574921 /nfs/dbraw/zinc/57/49/21/353574921.db2.gz PVCGFQLQYRODRN-UHFFFAOYSA-N 0 3 306.366 1.241 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](C)[C@H](O)C1 ZINC000093344416 353897965 /nfs/dbraw/zinc/89/79/65/353897965.db2.gz LIASSDBOXRMLCT-XHDPSFHLSA-N 0 3 321.377 1.935 20 5 DDBDHN CCCc1n[nH]c(C(=O)NC[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000109689363 353957351 /nfs/dbraw/zinc/95/73/51/353957351.db2.gz KYBLBXUEWPENRT-SNVBAGLBSA-N 0 3 309.370 1.342 20 5 DDBDHN COCCN(CCN(C)C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000209852418 354308554 /nfs/dbraw/zinc/30/85/54/354308554.db2.gz URMMRYCCCHHOQU-HJWRWDBZSA-N 0 3 321.377 1.645 20 5 DDBDHN COc1cc(C(=O)N[C@H](C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000346271924 283044581 /nfs/dbraw/zinc/04/45/81/283044581.db2.gz RGZHUBRSKVGPBA-SECBINFHSA-N 0 3 311.338 1.292 20 5 DDBDHN CN(C)C[C@@H](CO)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000589101719 354959518 /nfs/dbraw/zinc/95/95/18/354959518.db2.gz IZZSYYVXJVNTRQ-VIFPVBQESA-N 0 3 318.171 1.692 20 5 DDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590445088 355098438 /nfs/dbraw/zinc/09/84/38/355098438.db2.gz MZZOLIKOZFCJBD-YPMHNXCESA-N 0 3 319.361 1.770 20 5 DDBDHN Cn1nccc1[C@@H](CO)NCCCOc1ccc([N+](=O)[O-])cc1 ZINC000590971505 355227165 /nfs/dbraw/zinc/22/71/65/355227165.db2.gz HGLSMVWREVXVHP-CQSZACIVSA-N 0 3 320.349 1.420 20 5 DDBDHN COC(=O)c1cc(NC(=O)[C@H]2NCC2(C)C)cc([N+](=O)[O-])c1 ZINC000591671862 355358339 /nfs/dbraw/zinc/35/83/39/355358339.db2.gz MUEKLOBMBDLRQS-LLVKDONJSA-N 0 3 307.306 1.318 20 5 DDBDHN CN(CCN(C)C1CC1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593613126 355942924 /nfs/dbraw/zinc/94/29/24/355942924.db2.gz IBNQYKPMVPYTHP-UHFFFAOYSA-N 0 3 309.341 1.829 20 5 DDBDHN NC(=O)[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000593669688 355961212 /nfs/dbraw/zinc/96/12/12/355961212.db2.gz AXZCSYJKYKXJKM-OTSSQURYSA-N 0 3 315.276 1.550 20 5 DDBDHN C[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000594503446 356238849 /nfs/dbraw/zinc/23/88/49/356238849.db2.gz WPPDNACTMDYSLI-PEYYIBSZSA-N 0 3 305.378 1.891 20 5 DDBDHN CC(C)(C(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595261127 356424834 /nfs/dbraw/zinc/42/48/34/356424834.db2.gz RYFQOTXSBLRBLI-CHWSQXEVSA-N 0 3 309.341 1.770 20 5 DDBDHN C[C@H](N[C@H]1C[C@H](O)C12CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595783623 356650347 /nfs/dbraw/zinc/65/03/47/356650347.db2.gz SIQRHYQFYJEKIE-BPNCWPANSA-N 0 3 319.361 1.815 20 5 DDBDHN COc1ccc(OCCN2CCC3(COC3)C2)c([N+](=O)[O-])c1 ZINC000595836089 356671327 /nfs/dbraw/zinc/67/13/27/356671327.db2.gz ZJTPASYUOJTHGF-UHFFFAOYSA-N 0 3 308.334 1.705 20 5 DDBDHN CCn1nccc1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000596070532 356760993 /nfs/dbraw/zinc/76/09/93/356760993.db2.gz QXKQJYPMTDFBKB-UHFFFAOYSA-N 0 3 317.349 1.930 20 5 DDBDHN CC(C)(C)N1CC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000596305881 356852016 /nfs/dbraw/zinc/85/20/16/356852016.db2.gz BXWYJXHZABGSRC-SECBINFHSA-N 0 3 307.354 1.373 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000597859330 357361627 /nfs/dbraw/zinc/36/16/27/357361627.db2.gz UOYDIHCPVZBIJL-LLVKDONJSA-N 0 3 309.370 1.089 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597922501 357382447 /nfs/dbraw/zinc/38/24/47/357382447.db2.gz DXKBIFOBTVBAOG-SNVBAGLBSA-N 0 3 309.370 1.239 20 5 DDBDHN COC(=O)c1ccnc(N(C)CCN2CCCCC2)c1[N+](=O)[O-] ZINC000598630405 357661987 /nfs/dbraw/zinc/66/19/87/357661987.db2.gz KKXIWQUOHNZIOD-UHFFFAOYSA-N 0 3 322.365 1.699 20 5 DDBDHN COC(=O)c1cc(NCCN2CC[C@H](O)C2)cc(C)c1[N+](=O)[O-] ZINC000599200110 357847923 /nfs/dbraw/zinc/84/79/23/357847923.db2.gz WXFUCCUVFZSSPY-LBPRGKRZSA-N 0 3 323.349 1.168 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3COCCN3)o2)cc1 ZINC000600679078 358281123 /nfs/dbraw/zinc/28/11/23/358281123.db2.gz ZATHKFXMNFPVTQ-ZDUSSCGKSA-N 0 3 317.345 1.933 20 5 DDBDHN O=[N+]([O-])c1cc(F)cnc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000601130872 358415368 /nfs/dbraw/zinc/41/53/68/358415368.db2.gz CUWRSHFGIWUTAF-GFCCVEGCSA-N 0 3 310.329 1.794 20 5 DDBDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602795107 359197970 /nfs/dbraw/zinc/19/79/70/359197970.db2.gz LIYBLNCIPSKAOQ-SMDDNHRTSA-N 0 3 310.354 1.540 20 5 DDBDHN C[C@@H](c1ccccc1)[C@H](CO)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602810853 359206767 /nfs/dbraw/zinc/20/67/67/359206767.db2.gz OVRBKUGNTSWFCR-FZMZJTMJSA-N 0 3 304.350 1.583 20 5 DDBDHN CN(CCN(C)C1CC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000186766731 200006020 /nfs/dbraw/zinc/00/60/20/200006020.db2.gz OCOBPGYHCOFUTJ-UHFFFAOYSA-N 0 3 306.366 1.220 20 5 DDBDHN COC1(CO)CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000618551703 363668653 /nfs/dbraw/zinc/66/86/53/363668653.db2.gz LOHKIYFWUVRDSF-UHFFFAOYSA-N 0 3 324.377 1.837 20 5 DDBDHN CO[C@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000189318133 200381047 /nfs/dbraw/zinc/38/10/47/200381047.db2.gz UBUONCFZSBKOJG-NOLJZWGESA-N 0 3 324.377 1.691 20 5 DDBDHN CCN1CCN(C[C@@H](C)CNc2cccnc2[N+](=O)[O-])CC1 ZINC000609111602 360260467 /nfs/dbraw/zinc/26/04/67/360260467.db2.gz PIQMSQXLXHZROA-ZDUSSCGKSA-N 0 3 307.398 1.675 20 5 DDBDHN C[C@@H](NCCCN(C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000610420402 360430594 /nfs/dbraw/zinc/43/05/94/360430594.db2.gz PFKGIWMADRJWJM-LLVKDONJSA-N 0 3 315.395 1.527 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CCS(=O)(=O)C1 ZINC000610798379 360540280 /nfs/dbraw/zinc/54/02/80/360540280.db2.gz YNEGUSPLHCJQFX-RYUDHWBXSA-N 0 3 312.391 1.989 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC(Cc3ccccc3)C2)c1 ZINC000611178180 360650110 /nfs/dbraw/zinc/65/01/10/360650110.db2.gz WKTLCLOCFDEROT-MRXNPFEDSA-N 0 3 316.361 1.327 20 5 DDBDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000264670900 204067806 /nfs/dbraw/zinc/06/78/06/204067806.db2.gz JGUCPROXTSTKGH-LBPRGKRZSA-N 0 3 306.366 1.781 20 5 DDBDHN NC(=O)[C@@H](Cc1ccccc1)NCCc1ccccc1[N+](=O)[O-] ZINC000351439817 284325910 /nfs/dbraw/zinc/32/59/10/284325910.db2.gz HNSHIPZHAMUVKT-OAHLLOKOSA-N 0 3 313.357 1.824 20 5 DDBDHN COCCCN(C)CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000266150300 205139674 /nfs/dbraw/zinc/13/96/74/205139674.db2.gz KJWMOLGNRBTUAP-UHFFFAOYSA-N 0 3 309.366 1.601 20 5 DDBDHN CC(C)[C@@H](CCO)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000274011490 211271137 /nfs/dbraw/zinc/27/11/37/211271137.db2.gz LUVRRVYQLQVSPY-BXUZGUMPSA-N 0 3 309.366 1.918 20 5 DDBDHN CN(C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000284856022 218209115 /nfs/dbraw/zinc/20/91/15/218209115.db2.gz DCNUWVDQFRUTAL-UHFFFAOYSA-N 0 3 303.322 1.310 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2CCCN(CC)CC2)c1[N+](=O)[O-] ZINC000159523860 197360582 /nfs/dbraw/zinc/36/05/82/197360582.db2.gz ODAYTMWOGXFRQL-UHFFFAOYSA-N 0 3 309.370 1.438 20 5 DDBDHN CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CCN1C[C@@H](C)O ZINC000105825382 194138036 /nfs/dbraw/zinc/13/80/36/194138036.db2.gz CQQJVZJJQAKOOM-HIFRSBDPSA-N 0 3 307.394 1.872 20 5 DDBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])n[nH]1)Cc1ccccc1 ZINC000285102151 218291315 /nfs/dbraw/zinc/29/13/15/218291315.db2.gz MBJUIUCZBJMKRT-UHFFFAOYSA-N 0 3 303.322 1.180 20 5 DDBDHN Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)N(C)C)cc1 ZINC000285179475 218322698 /nfs/dbraw/zinc/32/26/98/218322698.db2.gz QZCWEWUEYRTAMO-ZDUSSCGKSA-N 0 3 317.349 1.659 20 5 DDBDHN Nc1ccc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000106791613 194252753 /nfs/dbraw/zinc/25/27/53/194252753.db2.gz RUYWCFUMTFOBIK-GFCCVEGCSA-N 0 3 318.377 1.924 20 5 DDBDHN C[C@@H]1C[C@H](O)CN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000340921179 251277676 /nfs/dbraw/zinc/27/76/76/251277676.db2.gz XLEBANITEIXGNR-PWSUYJOCSA-N 0 3 321.333 1.348 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](N)CCSC ZINC000353441097 285733753 /nfs/dbraw/zinc/73/37/53/285733753.db2.gz PBKWIEXELXZDLD-NSHDSACASA-N 0 3 313.379 1.300 20 5 DDBDHN CCCc1n[nH]c(C(=O)NC2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000069443378 406713325 /nfs/dbraw/zinc/71/33/25/406713325.db2.gz GHYMVLZHEALKEI-UHFFFAOYSA-N 0 3 321.381 1.627 20 5 DDBDHN COc1ccc(CNC[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000038084207 406999040 /nfs/dbraw/zinc/99/90/40/406999040.db2.gz ACOLZVUUZLAAOL-LLVKDONJSA-N 0 3 314.363 1.128 20 5 DDBDHN CN(CCNC(=O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000053349351 407167339 /nfs/dbraw/zinc/16/73/39/407167339.db2.gz ZKSMZHBZXUUALB-UHFFFAOYSA-N 0 3 317.349 1.040 20 5 DDBDHN CC[C@@H]1CCCCN1CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000122383538 407299030 /nfs/dbraw/zinc/29/90/30/407299030.db2.gz HLLLRBSUBOLHMP-LLVKDONJSA-N 0 3 309.370 1.323 20 5 DDBDHN CCN1CCN([C@H]2CCN(Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000107372364 407374218 /nfs/dbraw/zinc/37/42/18/407374218.db2.gz ATFXWJPTVAJSEM-AWEZNQCLSA-N 0 3 324.450 1.868 20 5 DDBDHN CCN1CCN([C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000107368939 407374407 /nfs/dbraw/zinc/37/44/07/407374407.db2.gz ZPFPJMPCDLSGPX-KRWDZBQOSA-N 0 3 318.421 1.807 20 5 DDBDHN COC[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000265762645 407441789 /nfs/dbraw/zinc/44/17/89/407441789.db2.gz HISXIZFDRNSJKR-OCCSQVGLSA-N 0 3 310.350 1.303 20 5 DDBDHN CN1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128243428 407512800 /nfs/dbraw/zinc/51/28/00/407512800.db2.gz QMNJULSZSZJFJZ-UHFFFAOYSA-N 0 3 310.329 1.310 20 5 DDBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000171128418 407606965 /nfs/dbraw/zinc/60/69/65/407606965.db2.gz JOHHEZULBPAPOS-UHFFFAOYSA-N 0 3 301.368 1.273 20 5 DDBDHN CC(C)(O)CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171148212 407611946 /nfs/dbraw/zinc/61/19/46/407611946.db2.gz JOBMZVQHYICIAS-UHFFFAOYSA-N 0 3 323.393 1.362 20 5 DDBDHN COC(=O)[C@@]1(C)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178866883 407634213 /nfs/dbraw/zinc/63/42/13/407634213.db2.gz DPESEKAWIDKYPG-ZFWWWQNUSA-N 0 3 308.334 1.513 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272066273 407761890 /nfs/dbraw/zinc/76/18/90/407761890.db2.gz BMKRHOJSSPOLQX-SECBINFHSA-N 0 3 321.362 1.424 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC(C3CCOCC3)CC2)n1 ZINC000153593239 407857713 /nfs/dbraw/zinc/85/77/13/407857713.db2.gz ZWLLNHXETQSHES-UHFFFAOYSA-N 0 3 308.382 1.930 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000268162284 407922657 /nfs/dbraw/zinc/92/26/57/407922657.db2.gz CZEFGTNBLRUUKA-FZMZJTMJSA-N 0 3 303.362 1.736 20 5 DDBDHN C[C@H]1C[C@@H](N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])CCN1C ZINC000272570094 407989359 /nfs/dbraw/zinc/98/93/59/407989359.db2.gz CWQLOFHNJHPERV-QWRGUYRKSA-N 0 3 306.366 1.732 20 5 DDBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](N(C)C)C1 ZINC000245826297 408075532 /nfs/dbraw/zinc/07/55/32/408075532.db2.gz YYQLHLJZNNUQFA-SWLSCSKDSA-N 0 3 320.393 1.948 20 5 DDBDHN C[C@H]1CCC[C@@H](CO)N1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000136171079 408086031 /nfs/dbraw/zinc/08/60/31/408086031.db2.gz KNVDZKVPTDSYKV-QEJZJMRPSA-N 0 3 324.377 1.570 20 5 DDBDHN CC(C)N(C)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155564188 408180802 /nfs/dbraw/zinc/18/08/02/408180802.db2.gz XQKQCFZMWYUWDA-UHFFFAOYSA-N 0 3 315.395 1.354 20 5 DDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000246398241 408245856 /nfs/dbraw/zinc/24/58/56/408245856.db2.gz FGQZCAKNIMSQHN-ZYHUDNBSSA-N 0 3 306.366 1.589 20 5 DDBDHN C[C@H]1CCCN(CCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000175994830 408260632 /nfs/dbraw/zinc/26/06/32/408260632.db2.gz MDXVWLHZKUAQGE-NSHDSACASA-N 0 3 306.366 1.639 20 5 DDBDHN C[NH2+]C[C@@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000133231106 162054156 /nfs/dbraw/zinc/05/41/56/162054156.db2.gz UQMJITKHYSUMBI-MRVPVSSYSA-N 0 3 321.786 1.382 20 5 DDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000176379151 408352491 /nfs/dbraw/zinc/35/24/91/408352491.db2.gz ALIVQSPUCIFFCL-UHFFFAOYSA-N 0 3 310.310 1.445 20 5 DDBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000247301405 408447463 /nfs/dbraw/zinc/44/74/63/408447463.db2.gz PBCGEQMXEZFIFI-GXTWGEPZSA-N 0 3 318.377 1.733 20 5 DDBDHN CC(C)N1CCC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000274555569 408448764 /nfs/dbraw/zinc/44/87/64/408448764.db2.gz YLLDYAPQSJLIQB-ZDUSSCGKSA-N 0 3 321.377 1.963 20 5 DDBDHN COCCOCCOCCCNCc1csc([N+](=O)[O-])c1 ZINC000274405257 408394056 /nfs/dbraw/zinc/39/40/56/408394056.db2.gz NKGVDVINKOUMQB-UHFFFAOYSA-N 0 3 318.395 1.816 20 5 DDBDHN C[C@@H]1CC(O)C[C@@H](C)N1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000191264594 408397701 /nfs/dbraw/zinc/39/77/01/408397701.db2.gz SEQAWAMGMUYOIR-JMSVASOKSA-N 0 3 324.377 1.568 20 5 DDBDHN COCCN(CCN(C)C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000264233328 408415991 /nfs/dbraw/zinc/41/59/91/408415991.db2.gz YMGJKEMJZOFRAN-UHFFFAOYSA-N 0 3 301.368 1.307 20 5 DDBDHN C[C@@H]1C[C@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])CCN1C ZINC000183555106 408440006 /nfs/dbraw/zinc/44/00/06/408440006.db2.gz LKYWIPUPRNYJEG-GHMZBOCLSA-N 0 3 307.354 1.936 20 5 DDBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000247389997 408462526 /nfs/dbraw/zinc/46/25/26/408462526.db2.gz QIDCXTLBTPEKTI-GXTWGEPZSA-N 0 3 305.378 1.982 20 5 DDBDHN C[C@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)CCN1C ZINC000176868370 408463038 /nfs/dbraw/zinc/46/30/38/408463038.db2.gz NKLJEFKFQBVKBO-WDEREUQCSA-N 0 3 306.366 1.732 20 5 DDBDHN COC[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248466414 408574190 /nfs/dbraw/zinc/57/41/90/408574190.db2.gz SIPZURBNOKEKJI-UONOGXRCSA-N 0 3 324.377 1.693 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000177144774 408533757 /nfs/dbraw/zinc/53/37/57/408533757.db2.gz YYCGSTDKPLKFKD-VHSXEESVSA-N 0 3 321.381 1.625 20 5 DDBDHN Cc1nc(N2CCN(CC(C)(C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000275774973 408672494 /nfs/dbraw/zinc/67/24/94/408672494.db2.gz HMYJBLCTNJLTIO-NSHDSACASA-N 0 3 308.382 1.580 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000249527346 408737523 /nfs/dbraw/zinc/73/75/23/408737523.db2.gz AGGVRCOBRWMDOF-BZPMIXESSA-N 0 3 310.350 1.037 20 5 DDBDHN CCC1(CO)CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000270922603 408742293 /nfs/dbraw/zinc/74/22/93/408742293.db2.gz SCHVXYZTBPPTHF-UHFFFAOYSA-N 0 3 309.366 1.241 20 5 DDBDHN CN(C)CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000194521657 408784547 /nfs/dbraw/zinc/78/45/47/408784547.db2.gz ZLWIAKFOZZFBLM-UHFFFAOYSA-N 0 3 317.349 1.386 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000194680990 408791442 /nfs/dbraw/zinc/79/14/42/408791442.db2.gz CGZGSQHEPUTTCB-UHFFFAOYSA-N 0 3 318.337 1.309 20 5 DDBDHN O=[N+]([O-])c1ccc(OC[C@@H]2CNCCO2)c(C(F)(F)F)c1 ZINC000164105414 408794977 /nfs/dbraw/zinc/79/49/77/408794977.db2.gz KUHJVRZMOSYLGF-VIFPVBQESA-N 0 3 306.240 1.981 20 5 DDBDHN CN(C)C/C=C/C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276361666 408842297 /nfs/dbraw/zinc/84/22/97/408842297.db2.gz POFLIYXITNJTAM-ONEGZZNKSA-N 0 3 305.334 1.302 20 5 DDBDHN Cc1ccnc(NCCN2CCN(C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000281600977 408895168 /nfs/dbraw/zinc/89/51/68/408895168.db2.gz IADAEEADYXXLBI-UHFFFAOYSA-N 0 3 307.398 1.736 20 5 DDBDHN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN2CCC1CC2 ZINC000188849716 163073396 /nfs/dbraw/zinc/07/33/96/163073396.db2.gz YZGOTUKFNWTPPA-AATRIKPKSA-N 0 3 301.346 1.915 20 5 DDBDHN CN1CC[C@@]2(CCN(C(=O)NCc3ccccc3[N+](=O)[O-])C2)C1 ZINC000291757939 408918950 /nfs/dbraw/zinc/91/89/50/408918950.db2.gz UOCMNPPLXIUUFI-MRXNPFEDSA-N 0 3 318.377 1.832 20 5 DDBDHN Cc1nn(C)c(C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000287136186 409004342 /nfs/dbraw/zinc/00/43/42/409004342.db2.gz MZVULMCHDULCAI-NEPJUHHUSA-N 0 3 321.381 1.336 20 5 DDBDHN CCN1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000286380141 408974067 /nfs/dbraw/zinc/97/40/67/408974067.db2.gz GQCPNUWKIGOSSU-UKRRQHHQSA-N 0 3 323.393 1.361 20 5 DDBDHN COc1ccc(OCCN2CCC[C@@H](O)CC2)c([N+](=O)[O-])c1 ZINC000293131632 409055779 /nfs/dbraw/zinc/05/57/79/409055779.db2.gz MXEYIXUNUVRPPJ-GFCCVEGCSA-N 0 3 310.350 1.829 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(C)C2)c1 ZINC000283411240 409151388 /nfs/dbraw/zinc/15/13/88/409151388.db2.gz HYTWVARPICUUDJ-NSHDSACASA-N 0 3 307.350 1.675 20 5 DDBDHN CNC(=O)[C@]1(C)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000280721281 409425211 /nfs/dbraw/zinc/42/52/11/409425211.db2.gz IAYJDADTFAWPQV-DZGCQCFKSA-N 0 3 307.350 1.086 20 5 DDBDHN CC(C)[C@H](CNc1ccc([N+](=O)[O-])nc1)N1CCN(C)CC1 ZINC000315971642 164020783 /nfs/dbraw/zinc/02/07/83/164020783.db2.gz VHMLGBSBUNAPCE-AWEZNQCLSA-N 0 3 307.398 1.674 20 5 DDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCOCCN(C)C ZINC000353922425 409561181 /nfs/dbraw/zinc/56/11/81/409561181.db2.gz PCKDYRANCSQOME-UHFFFAOYSA-N 0 3 324.381 1.857 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000342452885 409643398 /nfs/dbraw/zinc/64/33/98/409643398.db2.gz QPLOYVQMBSLFLY-WCQYABFASA-N 0 3 319.361 1.573 20 5 DDBDHN O=C(CCN1CCC[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000298085592 410105481 /nfs/dbraw/zinc/10/54/81/410105481.db2.gz HQAOSMTZCLYWPR-LBPRGKRZSA-N 0 3 307.350 1.628 20 5 DDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N1CCCC[C@H]1C ZINC000343076663 410125637 /nfs/dbraw/zinc/12/56/37/410125637.db2.gz NHECTAVUUKKFOV-NEPJUHHUSA-N 0 3 308.382 1.926 20 5 DDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCN(C)CC1 ZINC000298638734 410324201 /nfs/dbraw/zinc/32/42/01/410324201.db2.gz OWLFWOPRWHEZMV-GFCCVEGCSA-N 0 3 306.366 1.559 20 5 DDBDHN C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)N1C ZINC000339611646 410327790 /nfs/dbraw/zinc/32/77/90/410327790.db2.gz GLWPKERAKRFTEM-QWRGUYRKSA-N 0 3 303.366 1.996 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)N1C ZINC000339617410 410331711 /nfs/dbraw/zinc/33/17/11/410331711.db2.gz NIWCFUDNCHPELC-MGPQQGTHSA-N 0 3 323.393 1.359 20 5 DDBDHN Cn1ccnc1[C@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000343387999 410413717 /nfs/dbraw/zinc/41/37/17/410413717.db2.gz NOPCJOVYQIPIIY-KGLIPLIRSA-N 0 3 302.334 1.948 20 5 DDBDHN CCN1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000355376254 410481095 /nfs/dbraw/zinc/48/10/95/410481095.db2.gz XEPFMWCKHRBWAD-HUUCEWRRSA-N 0 3 319.361 1.530 20 5 DDBDHN CC(C)(C)[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000343884841 410778838 /nfs/dbraw/zinc/77/88/38/410778838.db2.gz VRKWPMQYDWUDTF-WCQYABFASA-N 0 3 308.382 1.883 20 5 DDBDHN C[C@@](O)(CNCCOc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000579948185 422861442 /nfs/dbraw/zinc/86/14/42/422861442.db2.gz TYTVFIXVSUUPPS-LLVKDONJSA-N 0 3 308.256 1.877 20 5 DDBDHN COCCN(C)C[C@H](O)CSc1ccc([N+](=O)[O-])cn1 ZINC000580660282 422947039 /nfs/dbraw/zinc/94/70/39/422947039.db2.gz YZHRIAPBYPRZAN-NSHDSACASA-N 0 3 301.368 1.021 20 5 DDBDHN C[C@@H]1CN(CCO)[C@@H](C)CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419000367 226002010 /nfs/dbraw/zinc/00/20/10/226002010.db2.gz OGAHVCDWMXBZHS-WDEREUQCSA-N 0 3 319.365 1.362 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(CC)C[C@@H]2C)n1 ZINC000191633042 222106432 /nfs/dbraw/zinc/10/64/32/222106432.db2.gz YSHDXJJSJXCBME-NWDGAFQWSA-N 0 3 323.397 1.614 20 5 DDBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cncc(F)c1 ZINC000361135095 418590337 /nfs/dbraw/zinc/59/03/37/418590337.db2.gz KBTRKXLOZLNOCO-ZANVPECISA-N 0 3 309.301 1.037 20 5 DDBDHN CCN(CC)C[C@@H](C)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000341781568 418626327 /nfs/dbraw/zinc/62/63/27/418626327.db2.gz WHQFSCHVIBZIQR-SNVBAGLBSA-N 0 3 319.365 2.386 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N2CCN([C@@H]3CCCN(C)C3)CC2)n1 ZINC000371212642 418768814 /nfs/dbraw/zinc/76/88/14/418768814.db2.gz MDCIAERFIMMAFQ-CQSZACIVSA-N 0 3 319.409 1.514 20 5 DDBDHN CC[C@](C)(NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000411387242 418898606 /nfs/dbraw/zinc/89/86/06/418898606.db2.gz JMKTYCZWEFBMAM-AWEZNQCLSA-N 0 3 308.338 1.167 20 5 DDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCc3nnnn3CC2)c(Cl)c1 ZINC000421393849 419594899 /nfs/dbraw/zinc/59/48/99/419594899.db2.gz FEEOCXSAEDCMCB-SNVBAGLBSA-N 0 3 322.756 1.729 20 5 DDBDHN COc1cc(C(=O)N(C)C[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000421703783 419686720 /nfs/dbraw/zinc/68/67/20/419686720.db2.gz NAJBVFHIGVKWHZ-LBPRGKRZSA-N 0 3 307.350 1.770 20 5 DDBDHN O=C(C[C@H]1CNCCO1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423834771 420216771 /nfs/dbraw/zinc/21/67/71/420216771.db2.gz CUOKGXZBKCNSOV-NSHDSACASA-N 0 3 313.741 1.243 20 5 DDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCNCCOC ZINC000415766279 420169056 /nfs/dbraw/zinc/16/90/56/420169056.db2.gz RZOYCSFGDQBTIS-UHFFFAOYSA-N 0 3 310.354 1.515 20 5 DDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCN(C)C1 ZINC000416494278 420392702 /nfs/dbraw/zinc/39/27/02/420392702.db2.gz IFBPDHFAUPNDBA-NSHDSACASA-N 0 3 313.379 1.133 20 5 DDBDHN COC(=O)CC1(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000440518918 420585261 /nfs/dbraw/zinc/58/52/61/420585261.db2.gz LCHJHRVJBNARTO-UHFFFAOYSA-N 0 3 322.365 1.772 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000452973685 420692387 /nfs/dbraw/zinc/69/23/87/420692387.db2.gz KHZMSAZXLRTBOF-RISCZKNCSA-N 0 3 307.325 1.439 20 5 DDBDHN O=C(CCN[C@H](CO)[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000447907624 420815189 /nfs/dbraw/zinc/81/51/89/420815189.db2.gz ACPKIGSPLXMXES-TZMCWYRMSA-N 0 3 323.349 1.053 20 5 DDBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@@H](O)[C@H](CO)C3)o2)c1 ZINC000459694208 420849597 /nfs/dbraw/zinc/84/95/97/420849597.db2.gz GDAOKEYKYPTNSD-SWLSCSKDSA-N 0 3 318.329 1.640 20 5 DDBDHN Cc1ccc(CNC[C@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000449387360 421001785 /nfs/dbraw/zinc/00/17/85/421001785.db2.gz LDVDOKAWWRTBAU-OAHLLOKOSA-N 0 3 307.394 1.840 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1(N)CCCCC1 ZINC000490041210 421187093 /nfs/dbraw/zinc/18/70/93/421187093.db2.gz ZCBSVGGBQDQMGJ-UHFFFAOYSA-N 0 3 307.350 1.881 20 5 DDBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548419937 421435837 /nfs/dbraw/zinc/43/58/37/421435837.db2.gz NXBHLQLVMDMCKE-UHFFFAOYSA-N 0 3 303.322 1.940 20 5 DDBDHN CCOC(=O)N1CC[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000497225043 421391525 /nfs/dbraw/zinc/39/15/25/421391525.db2.gz FVKLVZPPHZBYSY-OCCSQVGLSA-N 0 3 323.349 1.449 20 5 DDBDHN CCCN1CCC[C@H]1CNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000569019763 421624420 /nfs/dbraw/zinc/62/44/20/421624420.db2.gz OJJQZOPFZDXZAL-NSHDSACASA-N 0 3 321.381 1.636 20 5 DDBDHN C[C@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])cn2)CCCO1 ZINC000555762503 421690339 /nfs/dbraw/zinc/69/03/39/421690339.db2.gz SKVXZIHZEGMDDH-LBPRGKRZSA-N 0 3 322.365 1.221 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCN(C(C)(C)C)CC2)n1 ZINC000539023426 421746510 /nfs/dbraw/zinc/74/65/10/421746510.db2.gz CZSGZSVCBUALRO-UHFFFAOYSA-N 0 3 309.370 1.275 20 5 DDBDHN CN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000557334218 421769158 /nfs/dbraw/zinc/76/91/58/421769158.db2.gz DAFPTFBAUJWPAX-AWEZNQCLSA-N 0 3 323.393 1.361 20 5 DDBDHN CC[C@@H]1CN(C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000572395925 421784572 /nfs/dbraw/zinc/78/45/72/421784572.db2.gz OXPXGHVEKIQFEQ-CQSZACIVSA-N 0 3 320.393 1.949 20 5 DDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000597860962 422392256 /nfs/dbraw/zinc/39/22/56/422392256.db2.gz QJOFBPKBEAYUJV-VIFPVBQESA-N 0 3 307.354 1.175 20 5 DDBDHN COc1cc(CNC[C@@](C)(O)C2CC2)c([N+](=O)[O-])cc1OC ZINC000344415050 272019724 /nfs/dbraw/zinc/01/97/24/272019724.db2.gz YRSMGCQDFPGUEX-OAHLLOKOSA-N 0 3 310.350 1.863 20 5 DDBDHN CCc1n[nH]c(C(=O)NC[C@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344618702 272072001 /nfs/dbraw/zinc/07/20/01/272072001.db2.gz PSFYCCFLWSFHBT-LLVKDONJSA-N 0 3 323.397 1.731 20 5 DDBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1ccnn1C ZINC000459694555 278236763 /nfs/dbraw/zinc/23/67/63/278236763.db2.gz ABFONGYPVNWSJM-JSGCOSHPSA-N 0 3 318.377 1.973 20 5 DDBDHN COc1ccc(CNCC[C@H](C)[S@](C)=O)cc1[N+](=O)[O-] ZINC000129514691 281347688 /nfs/dbraw/zinc/34/76/88/281347688.db2.gz HZJGSJWQRKMZBR-WVDJIFEKSA-N 0 3 300.380 1.850 20 5 DDBDHN COCCO[C@H]1COCC[C@@H]1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000362508952 300081448 /nfs/dbraw/zinc/08/14/48/300081448.db2.gz ZQEHAFUPHCCDMX-HOCLYGCPSA-N 0 3 324.377 1.813 20 5 DDBDHN CN(C)CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000363486950 300275636 /nfs/dbraw/zinc/27/56/36/300275636.db2.gz WMUWMMDSTMNLJT-UHFFFAOYSA-N 0 3 320.393 1.304 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000368587548 301058475 /nfs/dbraw/zinc/05/84/75/301058475.db2.gz DACMUPGTYLDVJN-ONGXEEELSA-N 0 3 307.354 1.047 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000368587548 301058476 /nfs/dbraw/zinc/05/84/76/301058476.db2.gz DACMUPGTYLDVJN-ONGXEEELSA-N 0 3 307.354 1.047 20 5 DDBDHN CCCN1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000369334506 301166950 /nfs/dbraw/zinc/16/69/50/301166950.db2.gz GBDQBFXRUNEDQX-UHFFFAOYSA-N 0 3 309.370 1.126 20 5 DDBDHN C[C@@H]1CN(C2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)CCO1 ZINC000370055776 301267724 /nfs/dbraw/zinc/26/77/24/301267724.db2.gz MYYFBSUGLAEDII-GFCCVEGCSA-N 0 3 323.397 1.013 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC([C@@H]2CCOC2)CC1 ZINC000378646470 302348821 /nfs/dbraw/zinc/34/88/21/302348821.db2.gz HAQGBYHUAWWYCE-CQSZACIVSA-N 0 3 321.377 1.505 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CN(C)CCN1C ZINC000531970540 303268275 /nfs/dbraw/zinc/26/82/75/303268275.db2.gz CRTUHCUNKJGXHM-HIFRSBDPSA-N 0 3 306.410 1.800 20 5 DDBDHN COC[C@H]1CCCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000372087788 307163034 /nfs/dbraw/zinc/16/30/34/307163034.db2.gz GSTZMEXQAHWQNY-LBPRGKRZSA-N 0 3 321.377 1.942 20 5 DDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc2c1CCNC2 ZINC000567669090 308088970 /nfs/dbraw/zinc/08/89/70/308088970.db2.gz GWQDSGLJCNVJLC-UHFFFAOYSA-N 0 3 301.306 1.076 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCOC(F)(F)F)c1 ZINC000576816943 308341566 /nfs/dbraw/zinc/34/15/66/308341566.db2.gz QISSUKIHKMNQIQ-JTQLQIEISA-N 0 3 324.255 1.461 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@]1(C)CCO[C@@H]1C ZINC000494242660 534339309 /nfs/dbraw/zinc/33/93/09/534339309.db2.gz URKWBTMLOYZTHN-ABAIWWIYSA-N 0 3 307.350 1.999 20 5 DDBDHN O=C(CNc1ccc([N+](=O)[O-])cn1)NCCN1CCCCCC1 ZINC000431504411 534600863 /nfs/dbraw/zinc/60/08/63/534600863.db2.gz FIUHTBHLCAYDFE-UHFFFAOYSA-N 0 3 321.381 1.394 20 5 DDBDHN CC1(C)CCCN(CCNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000443956867 528938313 /nfs/dbraw/zinc/93/83/13/528938313.db2.gz DOYVDBKEOVXUFJ-UHFFFAOYSA-N 0 3 321.381 1.623 20 5 DDBDHN CN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736798626 598672914 /nfs/dbraw/zinc/67/29/14/598672914.db2.gz CHRDPRPRJPMAMO-UHFFFAOYSA-N 0 3 317.353 1.307 20 5 DDBDHN CN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736798626 598672915 /nfs/dbraw/zinc/67/29/15/598672915.db2.gz CHRDPRPRJPMAMO-UHFFFAOYSA-N 0 3 317.353 1.307 20 5 DDBDHN O=C1N[C@H]2CCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2CO1 ZINC000799179865 700126681 /nfs/dbraw/zinc/12/66/81/700126681.db2.gz ZTBZGQUGFDAXPJ-XBFCOCLRSA-N 0 3 321.333 1.059 20 5 DDBDHN CCN1CCN(CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000733161034 699581531 /nfs/dbraw/zinc/58/15/31/699581531.db2.gz GULIECCSBDKHIO-UHFFFAOYSA-N 0 3 324.356 1.101 20 5 DDBDHN C[C@]1(C(N)=O)CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000794709144 699826258 /nfs/dbraw/zinc/82/62/58/699826258.db2.gz CQBLKGSHFSOTSU-AWEZNQCLSA-N 0 3 303.322 1.099 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](CCO)C1CC1 ZINC000771806572 701331685 /nfs/dbraw/zinc/33/16/85/701331685.db2.gz XBJPOXDSRSIEBE-LBPRGKRZSA-N 0 3 307.350 1.592 20 5 DDBDHN CC(C)N(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCC(=O)N1 ZINC000839671024 701776152 /nfs/dbraw/zinc/77/61/52/701776152.db2.gz XXRQWNAXSOWXOL-DZGCQCFKSA-N 0 3 321.377 1.617 20 5 DDBDHN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000839853478 701844883 /nfs/dbraw/zinc/84/48/83/701844883.db2.gz IQUNMICHZVEJAS-BPLDGKMQSA-N 0 3 303.362 1.385 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]2[C@H](O)c2ccccc2)c1 ZINC000879245410 706627592 /nfs/dbraw/zinc/62/75/92/706627592.db2.gz XLWALMHTLCZDBB-HZPDHXFCSA-N 0 3 316.361 1.989 20 5 DDBDHN CC(COC(=O)COc1cccc(NC(=O)C2CC2)c1)[N+](=O)[O-] ZINC000813101964 702290878 /nfs/dbraw/zinc/29/08/78/702290878.db2.gz MCCKSRQNEFYPLQ-JTQLQIEISA-N 0 3 322.317 1.622 20 5 DDBDHN Cc1cccc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)c1C ZINC000813107261 702293952 /nfs/dbraw/zinc/29/39/52/702293952.db2.gz NXIUUUPUYYZVFQ-DGCLKSJQSA-N 0 3 320.345 1.865 20 5 DDBDHN CC(COC(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1)[N+](=O)[O-] ZINC000813113809 702298464 /nfs/dbraw/zinc/29/84/64/702298464.db2.gz JIMQYEZOLOEAOS-VHSXEESVSA-N 0 3 315.347 1.402 20 5 DDBDHN CC(COC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)[N+](=O)[O-] ZINC000813114351 702299285 /nfs/dbraw/zinc/29/92/85/702299285.db2.gz QIRDEXGNDOJLPH-NSHDSACASA-N 0 3 319.317 1.373 20 5 DDBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000817489880 702390674 /nfs/dbraw/zinc/39/06/74/702390674.db2.gz HWTAYIDIUISLHH-LLVKDONJSA-N 0 3 322.321 1.669 20 5 DDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000817489881 702391348 /nfs/dbraw/zinc/39/13/48/702391348.db2.gz HWTAYIDIUISLHH-NSHDSACASA-N 0 3 322.321 1.669 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866540342 706724528 /nfs/dbraw/zinc/72/45/28/706724528.db2.gz LYAKAWKTDUMUGS-IINYFYTJSA-N 0 3 321.352 1.875 20 5 DDBDHN CC([C@H](OC(=O)[C@H]1CCN(C)C1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845878080 703211793 /nfs/dbraw/zinc/21/17/93/703211793.db2.gz QNHLDYZSEQBEMZ-CDMKHQONSA-N 0 3 324.308 1.554 20 5 DDBDHN CC(=O)N1CC(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000845883471 703212352 /nfs/dbraw/zinc/21/23/52/703212352.db2.gz SXMKHLYKKNYZKJ-YMTOWFKASA-N 0 3 324.308 1.554 20 5 DDBDHN C[C@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H](C)CN1 ZINC000831546035 706728942 /nfs/dbraw/zinc/72/89/42/706728942.db2.gz HZGXMDVFBXNDEX-QWRGUYRKSA-N 0 3 317.349 1.153 20 5 DDBDHN Cn1cc([C@@H](O)CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000848527952 703561459 /nfs/dbraw/zinc/56/14/59/703561459.db2.gz AUEMPUAATBJHMB-HIFRSBDPSA-N 0 3 302.334 1.639 20 5 DDBDHN CC1(C)OC[C@@H](CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000851843156 703868688 /nfs/dbraw/zinc/86/86/88/703868688.db2.gz ATWWYMWDOLCOQL-WCQYABFASA-N 0 3 322.365 1.628 20 5 DDBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CNC[C@@H]1CCCO1)CC2 ZINC000818608472 703938995 /nfs/dbraw/zinc/93/89/95/703938995.db2.gz FBZZEODRXHJMHC-ZDUSSCGKSA-N 0 3 319.361 1.561 20 5 DDBDHN Cc1cccc(F)c1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819113030 704071513 /nfs/dbraw/zinc/07/15/13/704071513.db2.gz KPVUFHPDCCQTOR-GFCCVEGCSA-N 0 3 308.313 1.390 20 5 DDBDHN [NH3+][C@H](C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000857762942 704621710 /nfs/dbraw/zinc/62/17/10/704621710.db2.gz JHNANNYQNLWRHW-LLVKDONJSA-N 0 3 315.276 1.420 20 5 DDBDHN CC(C)[C@H]1CN(C)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823179358 705163313 /nfs/dbraw/zinc/16/33/13/705163313.db2.gz MBSPJRJIJYEQHA-HZPDHXFCSA-N 0 3 307.394 1.900 20 5 DDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000874850682 705203416 /nfs/dbraw/zinc/20/34/16/705203416.db2.gz VUUDOEHAABRUPN-LSDHHAIUSA-N 0 3 303.362 1.832 20 5 DDBDHN CC(COC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1)[N+](=O)[O-] ZINC000860776152 705279568 /nfs/dbraw/zinc/27/95/68/705279568.db2.gz CCGVBWXJZCBYPJ-YPMHNXCESA-N 0 3 306.318 1.357 20 5 DDBDHN Cc1noc(COc2ccc(C(=O)OCC(C)[N+](=O)[O-])cn2)n1 ZINC000860777795 705279981 /nfs/dbraw/zinc/27/99/81/705279981.db2.gz WFFVDLYTTWYZJJ-MRVPVSSYSA-N 0 3 322.277 1.174 20 5 DDBDHN Cc1c(CNC[C@]23COC(=O)N2CCOC3)cccc1[N+](=O)[O-] ZINC000872260522 707352775 /nfs/dbraw/zinc/35/27/75/707352775.db2.gz BIURSYOYHDRSAL-HNNXBMFYSA-N 0 3 321.333 1.214 20 5 DDBDHN CCNC(=O)N1CC[C@@H](NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000873078253 707721433 /nfs/dbraw/zinc/72/14/33/707721433.db2.gz KOCBOLGMRPTDOL-CYBMUJFWSA-N 0 3 306.366 1.797 20 5 DDBDHN CCn1ncc(C(=O)OCC(C)[N+](=O)[O-])c1Br ZINC000873532385 707888475 /nfs/dbraw/zinc/88/84/75/707888475.db2.gz HEUVRIQAQCYAKT-ZCFIWIBFSA-N 0 3 306.116 1.488 20 5 DDBDHN CC(COC(=O)C1([C@H]2CCCCO2)CCOCC1)[N+](=O)[O-] ZINC000873532373 707888491 /nfs/dbraw/zinc/88/84/91/707888491.db2.gz GUTSXNYYBXWZKY-VXGBXAGGSA-N 0 3 301.339 1.561 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCCN3CCO)n1 ZINC000897221939 708259595 /nfs/dbraw/zinc/25/95/95/708259595.db2.gz QOMCJTZXKNQCEC-CHWSQXEVSA-N 0 3 306.366 1.334 20 5 DDBDHN COCC[C@H](N)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000884377903 708270575 /nfs/dbraw/zinc/27/05/75/708270575.db2.gz ZKLOQNHETTUABV-AWEZNQCLSA-N 0 3 307.350 1.450 20 5 DDBDHN CN(CCO)CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000884826290 708388952 /nfs/dbraw/zinc/38/89/52/708388952.db2.gz VOBJWKJMZNWBEU-UHFFFAOYSA-N 0 3 307.272 1.950 20 5 DDBDHN C/C(=C/C(=O)N(C)CCN(C)CCO)c1ccc([N+](=O)[O-])cc1 ZINC000912605268 713045299 /nfs/dbraw/zinc/04/52/99/713045299.db2.gz LBKRBOFWQWUPJC-SEYXRHQNSA-N 0 3 321.377 1.381 20 5 DDBDHN CCN1CCCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)[C@@H](C)C1 ZINC000910286378 709866793 /nfs/dbraw/zinc/86/67/93/709866793.db2.gz AANMWWMHJDDIEK-JTQLQIEISA-N 0 3 309.370 1.193 20 5 DDBDHN CC(COC(=O)CCC(=O)N[C@@H](C)c1ccccc1)[N+](=O)[O-] ZINC000893047180 710546722 /nfs/dbraw/zinc/54/67/22/710546722.db2.gz JAZCRJKVOYPXIJ-RYUDHWBXSA-N 0 3 308.334 1.852 20 5 DDBDHN COc1cc(C(=O)N[C@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000928431803 713192882 /nfs/dbraw/zinc/19/28/82/713192882.db2.gz HAPXCSUVRZWZBK-KCJUWKMLSA-N 0 3 311.313 1.565 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCN1C ZINC000928434472 713194511 /nfs/dbraw/zinc/19/45/11/713194511.db2.gz DZEZKJQHPJYNKJ-WPRPVWTQSA-N 0 3 307.306 1.146 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CCN1C ZINC000928438604 713195856 /nfs/dbraw/zinc/19/58/56/713195856.db2.gz GIDSEGYKKFEHRN-SKDRFNHKSA-N 0 3 324.356 1.622 20 5 DDBDHN CN1CCC(N(CCO)C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000911933988 711074834 /nfs/dbraw/zinc/07/48/34/711074834.db2.gz UTEDEVWQPAEBHW-UHFFFAOYSA-N 0 3 307.350 1.124 20 5 DDBDHN COc1c([O-])ccc(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000895013940 711368576 /nfs/dbraw/zinc/36/85/76/711368576.db2.gz ZNCWXWGNECFSLB-WCQYABFASA-N 0 3 321.377 1.835 20 5 DDBDHN COc1c([O-])ccc(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000895013940 711368581 /nfs/dbraw/zinc/36/85/81/711368581.db2.gz ZNCWXWGNECFSLB-WCQYABFASA-N 0 3 321.377 1.835 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000914290939 713371505 /nfs/dbraw/zinc/37/15/05/713371505.db2.gz FIQKQXVWVFYDJR-GWCFXTLKSA-N 0 3 322.365 1.495 20 5 DDBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000915213606 713412900 /nfs/dbraw/zinc/41/29/00/713412900.db2.gz INBNXSFKMAWWLL-UHFFFAOYSA-N 0 3 320.353 1.180 20 5 DDBDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NCC[N+](=O)[O-] ZINC000930477342 713844387 /nfs/dbraw/zinc/84/43/87/713844387.db2.gz PGVIPXRROCIAPY-UTUOFQBUSA-N 0 3 301.387 1.887 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2CCN(CCCCCO)CC2)cc1 ZINC000931500948 714113184 /nfs/dbraw/zinc/11/31/84/714113184.db2.gz RXMKDIKJAGYWFB-UHFFFAOYSA-N 0 3 307.394 1.875 20 5 DDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000923315323 714309037 /nfs/dbraw/zinc/30/90/37/714309037.db2.gz HJNJXAVMBZPZIC-QWHCGFSZSA-N 0 3 319.361 1.669 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(F)(C2CC2)CC1 ZINC000932626620 714369465 /nfs/dbraw/zinc/36/94/65/714369465.db2.gz LCJUCNLQHIDHIQ-UHFFFAOYSA-N 0 3 309.341 1.971 20 5 DDBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924474624 714590474 /nfs/dbraw/zinc/59/04/74/714590474.db2.gz MMJQGVYNEAVGDW-JOYOIKCWSA-N 0 3 306.322 1.138 20 5 DDBDHN CC(C)c1cnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001022064143 734368919 /nfs/dbraw/zinc/36/89/19/734368919.db2.gz YGMDYIWWBGHMHK-WRWGMCAJSA-N 0 3 322.365 1.200 20 5 DDBDHN O=[N+]([O-])C[C@H]1CC[C@H](NCc2cc(Br)no2)C1 ZINC001168968352 762158570 /nfs/dbraw/zinc/15/85/70/762158570.db2.gz XXMMJJLCUPAXQR-YUMQZZPRSA-N 0 3 304.144 1.972 20 5 DDBDHN COC(=O)C[C@H](N[C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccn1 ZINC001168996534 762169160 /nfs/dbraw/zinc/16/91/60/762169160.db2.gz VOYNGRVKLICQBV-DYEKYZERSA-N 0 3 307.350 1.721 20 5 DDBDHN CC(C)(C)OC(=O)[C@H](N)C1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169004383 762173674 /nfs/dbraw/zinc/17/36/74/762173674.db2.gz QVSSBOHAVPBVRD-CYZMBNFOSA-N 0 3 313.398 1.033 20 5 DDBDHN COc1ccc(C[C@H](C)N[C@H]2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC001170309241 766259664 /nfs/dbraw/zinc/25/96/64/766259664.db2.gz PRITZRMRJBUJGE-GWCFXTLKSA-N 0 3 307.350 1.355 20 5 DDBDHN COc1ccc(C[C@@H](C)N2CCN3CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170355646 766261858 /nfs/dbraw/zinc/26/18/58/766261858.db2.gz NNVKFSAQQBSHDU-TZMCWYRMSA-N 0 3 305.378 1.924 20 5 DDBDHN CCc1oncc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001134546389 771045051 /nfs/dbraw/zinc/04/50/51/771045051.db2.gz CGOTZXXAYCADSU-UHFFFAOYSA-N 0 3 318.333 1.665 20 5 DDBDHN CN(C)C1(C(=O)NCCNc2cccc(F)c2[N+](=O)[O-])CCC1 ZINC001093927969 775220807 /nfs/dbraw/zinc/22/08/07/775220807.db2.gz SIUOPBYSOMYCGD-UHFFFAOYSA-N 0 3 324.356 1.746 20 5 DDBDHN CCN(CC)CC(=O)N(C)CCNc1nccc(C)c1[N+](=O)[O-] ZINC001101628345 777322970 /nfs/dbraw/zinc/32/29/70/777322970.db2.gz DBZBQGCEHOVSNA-UHFFFAOYSA-N 0 3 323.397 1.510 20 5 DDBDHN CC(C)(C)C(=O)N(CCO)CCNCc1cccc([N+](=O)[O-])c1 ZINC001279886269 840877621 /nfs/dbraw/zinc/87/76/21/840877621.db2.gz ITCDSJSHPRJXCN-UHFFFAOYSA-N 0 3 323.393 1.551 20 5 DDBDHN Cc1ncoc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001156228452 862840072 /nfs/dbraw/zinc/84/00/72/862840072.db2.gz XIUWVAMRNQVMJZ-UHFFFAOYSA-N 0 3 324.362 1.862 20 5 DDBDHN Cc1cncc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001125190466 859915080 /nfs/dbraw/zinc/91/50/80/859915080.db2.gz KIGYLIXNGQYRHZ-UHFFFAOYSA-N 0 3 314.345 1.818 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC001325865953 860901589 /nfs/dbraw/zinc/90/15/89/860901589.db2.gz ZKOXUTBAQBAZHI-XHDPSFHLSA-N 0 3 318.377 1.803 20 5 DDBDHN Cc1cc([N+](=O)[O-])cc(NCc2nnn3c2CNCCC3)c1F ZINC001162979259 867969638 /nfs/dbraw/zinc/96/96/38/867969638.db2.gz MKCJROHPJIIOIG-UHFFFAOYSA-N 0 3 320.328 1.739 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC001322508683 868211344 /nfs/dbraw/zinc/21/13/44/868211344.db2.gz DSCBPRSDGRWPMN-MEBBXXQBSA-N 0 3 318.377 1.849 20 5 DDBDHN CN(C)C1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001163933250 868803295 /nfs/dbraw/zinc/80/32/95/868803295.db2.gz AQMJOEDRCBQXOS-UHFFFAOYSA-N 0 3 306.700 1.938 20 5 DDBDHN COC(=O)Cc1ccc(-n2nc(CN)cc2C)cc1[N+](=O)[O-] ZINC001163985787 868847129 /nfs/dbraw/zinc/84/71/29/868847129.db2.gz CCSVISJKLIMUSN-UHFFFAOYSA-N 0 3 304.306 1.263 20 5 DDBDHN C=C/C(C)=C/CC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001164148183 868973145 /nfs/dbraw/zinc/97/31/45/868973145.db2.gz KUCMLLFYKKSJDU-WUXMJOGZSA-N 0 3 321.381 1.447 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@H](c3ncccn3)C2)cc1 ZINC001308111074 871472056 /nfs/dbraw/zinc/47/20/56/871472056.db2.gz BMDWUSCEEIVSQE-ZFWWWQNUSA-N 0 3 314.345 1.908 20 5 DDBDHN O=[N+]([O-])c1cnc(OC2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001227107780 882836187 /nfs/dbraw/zinc/83/61/87/882836187.db2.gz GYIANERCZRUHII-UHFFFAOYSA-N 0 3 308.294 1.904 20 5 DDBDHN CC(COC(=O)C1(n2cc(Br)cn2)CC1)[N+](=O)[O-] ZINC001348532268 874618299 /nfs/dbraw/zinc/61/82/99/874618299.db2.gz CPXDCSNPJUSIIX-SSDOTTSWSA-N 0 3 318.127 1.343 20 5 DDBDHN O=C(c1ccccc1[N+](=O)[O-])N1CCC2(CC1)CNCCO2 ZINC001358307371 880396851 /nfs/dbraw/zinc/39/68/51/880396851.db2.gz UDUHHKTULOVBAI-UHFFFAOYSA-N 0 3 305.334 1.189 20 5 DDBDHN COC(=O)[C@@H](O[C@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC001223644522 881039148 /nfs/dbraw/zinc/03/91/48/881039148.db2.gz VHJWCLKWPXEDKR-FZMZJTMJSA-N 0 3 308.334 1.920 20 5 DDBDHN OC[C@H]1CN(Cc2ccc3ccc4cccnc4c3n2)CC[C@@H]1O ZINC001232218319 886166628 /nfs/dbraw/zinc/16/66/28/886166628.db2.gz FUPHJKIPJQJFDN-WBVHZDCISA-N 0 3 323.396 1.958 20 5 DDBDHN CN1CC[C@@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001234363077 887907161 /nfs/dbraw/zinc/90/71/61/887907161.db2.gz XGEBWMVCIITNMU-CYBMUJFWSA-N 0 3 307.350 1.514 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@](C)(CO)[C@H](O)C1 ZINC001254553297 896498793 /nfs/dbraw/zinc/49/87/93/896498793.db2.gz UQIKMOKMRJMVPR-WQVCFCJDSA-N 0 3 308.378 1.591 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNCC1(CCO)CC1)OCCO2 ZINC000614587615 361932106 /nfs/dbraw/zinc/93/21/06/361932106.db2.gz LZTJZCGVHQDHTM-UHFFFAOYSA-N 0 3 308.334 1.618 20 5 DDBDHN C[C@H](N[C@H]1COCC1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451807285 231199327 /nfs/dbraw/zinc/19/93/27/231199327.db2.gz GPHIZSWFNGDIKB-GWCFXTLKSA-N 0 3 307.350 1.936 20 5 DDBDHN O=C(NC[C@@H]1CCCN1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000452343743 231352629 /nfs/dbraw/zinc/35/26/29/231352629.db2.gz BPJNGAHNVUZXLA-AWEZNQCLSA-N 0 3 307.350 1.171 20 5 DDBDHN Cc1cc(OCC(=O)NC(C)(C)CN(C)C)ccc1[N+](=O)[O-] ZINC000457246652 232022580 /nfs/dbraw/zinc/02/25/80/232022580.db2.gz SCLJYEPOJRYITG-UHFFFAOYSA-N 0 3 309.366 1.738 20 5 DDBDHN Cc1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1CN(C)C ZINC000458277457 232324353 /nfs/dbraw/zinc/32/43/53/232324353.db2.gz IPQFJCWXVNSBFT-UHFFFAOYSA-N 0 3 303.322 1.940 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286927924 219229019 /nfs/dbraw/zinc/22/90/19/219229019.db2.gz IYIGMBYGHJEKLC-VIFPVBQESA-N 0 3 318.333 1.529 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCOC2CCCC2)c1 ZINC000564843666 304018695 /nfs/dbraw/zinc/01/86/95/304018695.db2.gz FBGQRWGVLOBGAG-CQSZACIVSA-N 0 3 324.377 1.883 20 5 DDBDHN O=C(COc1cccnc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000023753197 352184970 /nfs/dbraw/zinc/18/49/70/352184970.db2.gz HREGNEMGBMKNSV-UHFFFAOYSA-N 0 3 320.349 1.112 20 5 DDBDHN Cc1c(NC(=O)CCN2CCC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000041886319 352317340 /nfs/dbraw/zinc/31/73/40/352317340.db2.gz WXVBURMFQPYVBI-GFCCVEGCSA-N 0 3 307.350 1.689 20 5 DDBDHN COCCN(C)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000041966712 352321097 /nfs/dbraw/zinc/32/10/97/352321097.db2.gz VKUFOQPMWPOYIH-UHFFFAOYSA-N 0 3 309.366 1.222 20 5 DDBDHN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(C2CC2)C1 ZINC000057553944 352820309 /nfs/dbraw/zinc/82/03/09/352820309.db2.gz JEIVVEOGSREHEI-NSHDSACASA-N 0 3 305.334 1.327 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000067830440 353069642 /nfs/dbraw/zinc/06/96/42/353069642.db2.gz YUHOHHCHOJRLKI-NWDGAFQWSA-N 0 3 323.397 1.479 20 5 DDBDHN Cc1cnc(N2CCN([C@@H]3CCCN(C)C3)CC2)c([N+](=O)[O-])c1 ZINC000078664103 353527552 /nfs/dbraw/zinc/52/75/52/353527552.db2.gz IWLFBPLTDKCJQD-CQSZACIVSA-N 0 3 319.409 1.514 20 5 DDBDHN COC(=O)C[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090524749 353794669 /nfs/dbraw/zinc/79/46/69/353794669.db2.gz CNGDYGUXHPAYFH-LBPRGKRZSA-N 0 3 323.349 1.174 20 5 DDBDHN COC(=O)C(C)(C)[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000093279005 353891405 /nfs/dbraw/zinc/89/14/05/353891405.db2.gz XJZINQNZSHETMX-LBPRGKRZSA-N 0 3 324.381 1.703 20 5 DDBDHN CN1CCC[C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000108325936 353950784 /nfs/dbraw/zinc/95/07/84/353950784.db2.gz XYWNVYNCQAKTJV-CYBMUJFWSA-N 0 3 321.377 1.822 20 5 DDBDHN Cc1nn(C)c(C(=O)N2CCCC[C@@H]2CN(C)C)c1[N+](=O)[O-] ZINC000104413276 353933143 /nfs/dbraw/zinc/93/31/43/353933143.db2.gz CUWWAAHFMHYKMQ-LLVKDONJSA-N 0 3 309.370 1.193 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000139421137 354127977 /nfs/dbraw/zinc/12/79/77/354127977.db2.gz HNJWQCGMBKLLCG-GFCCVEGCSA-N 0 3 321.381 1.400 20 5 DDBDHN Cn1c(C(=O)N2CCCN(CC3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000590347933 355074851 /nfs/dbraw/zinc/07/48/51/355074851.db2.gz NJHWEFRAYYFWEN-UHFFFAOYSA-N 0 3 320.393 1.881 20 5 DDBDHN COC(=O)c1ccnc(N2CC[C@H]3CC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000590585762 355121007 /nfs/dbraw/zinc/12/10/07/355121007.db2.gz RXNINGNNXHIFDR-MNOVXSKESA-N 0 3 320.349 1.449 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000590446392 355099829 /nfs/dbraw/zinc/09/98/29/355099829.db2.gz TVSMNOSSPTXYPE-RNCFNFMXSA-N 0 3 315.333 1.247 20 5 DDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CNCCC1(F)F ZINC000591668882 355357484 /nfs/dbraw/zinc/35/74/84/355357484.db2.gz JOCPTKXFFXEDFB-NSHDSACASA-N 0 3 313.304 1.498 20 5 DDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CNCCC1(F)F ZINC000591668877 355357824 /nfs/dbraw/zinc/35/78/24/355357824.db2.gz JOCPTKXFFXEDFB-LLVKDONJSA-N 0 3 313.304 1.498 20 5 DDBDHN O=C(CCNC[C@@H](O)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000592432099 355581881 /nfs/dbraw/zinc/58/18/81/355581881.db2.gz NKLDVJRVMBRPHE-SNVBAGLBSA-N 0 3 321.255 1.436 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594200390 356138574 /nfs/dbraw/zinc/13/85/74/356138574.db2.gz LRQWSSHZPJDCFR-STQMWFEESA-N 0 3 306.366 1.680 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCN1CCOC[C@H]1C ZINC000595014361 356372435 /nfs/dbraw/zinc/37/24/35/356372435.db2.gz UZQSVCQCXNYJJO-OLZOCXBDSA-N 0 3 323.393 1.975 20 5 DDBDHN C[C@@]12COC[C@]1(C)CN(CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000595690094 356611158 /nfs/dbraw/zinc/61/11/58/356611158.db2.gz UIOHBXODLGLESR-GASCZTMLSA-N 0 3 307.350 1.115 20 5 DDBDHN O=C1CC[C@H]2CN(CCOc3ccccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595737067 356629215 /nfs/dbraw/zinc/62/92/15/356629215.db2.gz GOECIWRFBOWWRU-QWHCGFSZSA-N 0 3 319.361 1.574 20 5 DDBDHN COC(=O)[C@H]1C[C@@H](N(C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000595850346 356677253 /nfs/dbraw/zinc/67/72/53/356677253.db2.gz YIFALSXDDGGYIU-TXEJJXNPSA-N 0 3 308.334 1.857 20 5 DDBDHN N[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1F ZINC000596105272 356773599 /nfs/dbraw/zinc/77/35/99/356773599.db2.gz IVPVBQRQIZCETQ-GHMZBOCLSA-N 0 3 311.313 1.237 20 5 DDBDHN C[C@@H](CN(C)CCC[NH+](C)C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596361006 356863674 /nfs/dbraw/zinc/86/36/74/356863674.db2.gz HXUWAXDNZATQLR-NSHDSACASA-N 0 3 311.386 1.379 20 5 DDBDHN C[NH+](C)CCC[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596565969 356919626 /nfs/dbraw/zinc/91/96/26/356919626.db2.gz JKRAUALKUMLCOA-NSHDSACASA-N 0 3 310.354 1.242 20 5 DDBDHN CC[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@H](C)N1 ZINC000598535833 357625100 /nfs/dbraw/zinc/62/51/00/357625100.db2.gz JDVSHAPTVIPSSI-CMPLNLGQSA-N 0 3 309.370 1.089 20 5 DDBDHN CN(C)Cc1ccc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000347756756 283271513 /nfs/dbraw/zinc/27/15/13/283271513.db2.gz KRTDFBBWHKSUMI-UHFFFAOYSA-N 0 3 317.349 1.320 20 5 DDBDHN CC(C)[C@@](C)(CN)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915417 357757578 /nfs/dbraw/zinc/75/75/78/357757578.db2.gz LQFGKNZRGDTSSU-CQSZACIVSA-N 0 3 308.338 1.023 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CC3(CCOCC3)CC[C@H]2CO)n1 ZINC000599542839 357967772 /nfs/dbraw/zinc/96/77/72/357967772.db2.gz FBAUDQZHJPWQSV-ZDUSSCGKSA-N 0 3 324.381 1.045 20 5 DDBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180545286 199174148 /nfs/dbraw/zinc/17/41/48/199174148.db2.gz WQRUBPNGLYTCSS-GHMZBOCLSA-N 0 3 321.381 1.422 20 5 DDBDHN O=c1[nH]cccc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600755441 358308756 /nfs/dbraw/zinc/30/87/56/358308756.db2.gz CWDPOENTTIYUOB-ZDUSSCGKSA-N 0 3 319.317 1.225 20 5 DDBDHN O=[N+]([O-])c1cc(F)cnc1N1CCC(N2CCCOCC2)CC1 ZINC000601174669 358433644 /nfs/dbraw/zinc/43/36/44/358433644.db2.gz ZGEGZZBJDZIFOR-UHFFFAOYSA-N 0 3 324.356 1.820 20 5 DDBDHN COC[C@@]1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCCN1 ZINC000602444966 358981081 /nfs/dbraw/zinc/98/10/81/358981081.db2.gz KENXWILBPYUNSQ-MRXNPFEDSA-N 0 3 321.377 1.412 20 5 DDBDHN C[C@@]12CN(Cc3cccc([N+](=O)[O-])c3)C[C@@]1(C)C(=O)NC2=O ZINC000602729697 359152989 /nfs/dbraw/zinc/15/29/89/359152989.db2.gz BLYSWXFOZUHBKB-GJZGRUSLSA-N 0 3 303.318 1.079 20 5 DDBDHN COc1cc(OCC(=O)N[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000604460832 359752939 /nfs/dbraw/zinc/75/29/39/359752939.db2.gz BJGBKDWZTXLCMQ-LLVKDONJSA-N 0 3 323.349 1.193 20 5 DDBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(CC2CC2)C1 ZINC000609399946 360304055 /nfs/dbraw/zinc/30/40/55/360304055.db2.gz WQHFQAPPSRXFHA-AWEZNQCLSA-N 0 3 318.377 1.878 20 5 DDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(CC2CC2)C1 ZINC000610240093 360395264 /nfs/dbraw/zinc/39/52/64/360395264.db2.gz VJKUAIPGGHSDKO-AWEZNQCLSA-N 0 3 303.362 1.738 20 5 DDBDHN C[C@@H]1COCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610990904 360592180 /nfs/dbraw/zinc/59/21/80/360592180.db2.gz UFQGIZKERFOUGH-TZMCWYRMSA-N 0 3 310.350 1.445 20 5 DDBDHN C[C@H]1CN(c2cccnc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000611204549 360658653 /nfs/dbraw/zinc/65/86/53/360658653.db2.gz RWTHUGYEDYWDCC-KBPBESRZSA-N 0 3 319.409 1.452 20 5 DDBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(C2CC2)C1 ZINC000359223198 299363235 /nfs/dbraw/zinc/36/32/35/299363235.db2.gz HRHVIYOEYKUGJY-LBPRGKRZSA-N 0 3 304.350 1.631 20 5 DDBDHN CC[NH2+][C@H](C)C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000359270594 299388628 /nfs/dbraw/zinc/38/86/28/299388628.db2.gz FLONBZDWEWFHGQ-SNVBAGLBSA-N 0 3 301.368 1.180 20 5 DDBDHN COc1ccc(NC(=O)CN[C@H](C)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000274084190 211340951 /nfs/dbraw/zinc/34/09/51/211340951.db2.gz SOMHRNSMYCITHP-NXEZZACHSA-N 0 3 311.338 1.148 20 5 DDBDHN O=C(NCC1CC1)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157698412 197208922 /nfs/dbraw/zinc/20/89/22/197208922.db2.gz HXBJSHOREQNDHV-CYBMUJFWSA-N 0 3 321.381 1.030 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](CO)C1CCCC1 ZINC000352621760 285180022 /nfs/dbraw/zinc/18/00/22/285180022.db2.gz UNYYGVHJPVAHDM-ZDUSSCGKSA-N 0 3 321.377 1.982 20 5 DDBDHN CCN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000352689902 285230540 /nfs/dbraw/zinc/23/05/40/285230540.db2.gz DKHYIGCHSAULNM-LLVKDONJSA-N 0 3 303.366 1.997 20 5 DDBDHN CC(=O)N[C@H](C)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000360311202 299632745 /nfs/dbraw/zinc/63/27/45/299632745.db2.gz SRTXSRVBUGHNDI-LLVKDONJSA-N 0 3 309.370 1.028 20 5 DDBDHN C[C@@H]1COCCN1CCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338379989 297123776 /nfs/dbraw/zinc/12/37/76/297123776.db2.gz QUMJPYBBQCMTDQ-CQSZACIVSA-N 0 3 307.394 1.790 20 5 DDBDHN CNCCN(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000070303964 406813297 /nfs/dbraw/zinc/81/32/97/406813297.db2.gz BOHXXHGFMQTFPF-UHFFFAOYSA-N 0 3 307.759 1.088 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c1[N+](=O)[O-] ZINC000073991422 406898662 /nfs/dbraw/zinc/89/86/62/406898662.db2.gz WHVJUKOBDKNFMQ-WDEREUQCSA-N 0 3 321.381 1.579 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c1[N+](=O)[O-] ZINC000073991422 406898665 /nfs/dbraw/zinc/89/86/65/406898665.db2.gz WHVJUKOBDKNFMQ-WDEREUQCSA-N 0 3 321.381 1.579 20 5 DDBDHN COCCCN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000171125932 407603734 /nfs/dbraw/zinc/60/37/34/407603734.db2.gz BHTPYFNRCAOZIZ-UHFFFAOYSA-N 0 3 321.377 1.826 20 5 DDBDHN C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000186487659 407679431 /nfs/dbraw/zinc/67/94/31/407679431.db2.gz AEUAVUKWMKYAIH-QMTHXVAHSA-N 0 3 317.349 1.739 20 5 DDBDHN Cc1ccc([C@@H](C)NCC2(C(N)=O)CCOCC2)cc1[N+](=O)[O-] ZINC000153146344 407763349 /nfs/dbraw/zinc/76/33/49/407763349.db2.gz SPNLSTWGDBBTBA-GFCCVEGCSA-N 0 3 321.377 1.836 20 5 DDBDHN CCc1nn(C)c(NC[C@@H](O)CN2CCCCC2)c1[N+](=O)[O-] ZINC000179569264 407807678 /nfs/dbraw/zinc/80/76/78/407807678.db2.gz BNRPSWFQWSLQAL-LLVKDONJSA-N 0 3 311.386 1.149 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@]3(CCOC3)C2)c1 ZINC000153605228 407862270 /nfs/dbraw/zinc/86/22/70/407862270.db2.gz AWLGLJXJMURAHC-ZBFHGGJFSA-N 0 3 322.361 1.447 20 5 DDBDHN CC(=O)NCCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173472845 407881549 /nfs/dbraw/zinc/88/15/49/407881549.db2.gz WZRBFZVCFLVUER-GFCCVEGCSA-N 0 3 307.354 1.002 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000245419092 407971719 /nfs/dbraw/zinc/97/17/19/407971719.db2.gz GWEXASAPDQAIKV-WQVCFCJDSA-N 0 3 316.361 1.845 20 5 DDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCCC[C@H]1O ZINC000272451911 407929260 /nfs/dbraw/zinc/92/92/60/407929260.db2.gz CHDQCEJBJNBSJL-TZMCWYRMSA-N 0 3 309.366 1.239 20 5 DDBDHN CN(CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000272591137 407998600 /nfs/dbraw/zinc/99/86/00/407998600.db2.gz TUTLAQZWYNICED-UHFFFAOYSA-N 0 3 313.304 1.897 20 5 DDBDHN C[N@H+](CC[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000272591137 407998605 /nfs/dbraw/zinc/99/86/05/407998605.db2.gz TUTLAQZWYNICED-UHFFFAOYSA-N 0 3 313.304 1.897 20 5 DDBDHN C[N@@H+](CC[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000272591137 407998612 /nfs/dbraw/zinc/99/86/12/407998612.db2.gz TUTLAQZWYNICED-UHFFFAOYSA-N 0 3 313.304 1.897 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H]2OCCC[C@H]2C1 ZINC000245571837 408018623 /nfs/dbraw/zinc/01/86/23/408018623.db2.gz BWRJNKKFBHSNNV-GXTWGEPZSA-N 0 3 307.350 1.257 20 5 DDBDHN COc1cc(OCC(=O)N2CCNC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000175391453 408118827 /nfs/dbraw/zinc/11/88/27/408118827.db2.gz BTRCAIRPOASMQG-UHFFFAOYSA-N 0 3 323.349 1.193 20 5 DDBDHN C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000273425657 408194052 /nfs/dbraw/zinc/19/40/52/408194052.db2.gz WKXCVILJHWMMLV-YPMHNXCESA-N 0 3 320.349 1.419 20 5 DDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN(C)C(C)C ZINC000155595521 408186951 /nfs/dbraw/zinc/18/69/51/408186951.db2.gz XVKYHAZPZGGMFB-UHFFFAOYSA-N 0 3 315.395 1.522 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000175729247 408188724 /nfs/dbraw/zinc/18/87/24/408188724.db2.gz BYCCSKXKZZMPGR-IUCAKERBSA-N 0 3 307.354 1.235 20 5 DDBDHN CCN(CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000263766884 408248048 /nfs/dbraw/zinc/24/80/48/408248048.db2.gz RYVIKWWHQIPFSS-UHFFFAOYSA-N 0 3 317.349 1.685 20 5 DDBDHN CN(CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C1CC1 ZINC000263674484 408200465 /nfs/dbraw/zinc/20/04/65/408200465.db2.gz HAHPWYWZAJOPKU-UHFFFAOYSA-N 0 3 304.350 1.986 20 5 DDBDHN CCCC(=O)NC[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176225535 408315550 /nfs/dbraw/zinc/31/55/50/408315550.db2.gz LFIMEOLMMKXXMZ-CYBMUJFWSA-N 0 3 323.397 1.420 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000269333254 408273909 /nfs/dbraw/zinc/27/39/09/408273909.db2.gz AUCGKSRMPUCEEX-GHMZBOCLSA-N 0 3 323.397 1.900 20 5 DDBDHN COCCCN(CCOC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269673344 408386679 /nfs/dbraw/zinc/38/66/79/408386679.db2.gz OIJYPOMPDYHCHJ-OAHLLOKOSA-N 0 3 312.366 1.613 20 5 DDBDHN CN(C)[C@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000264502051 408514596 /nfs/dbraw/zinc/51/45/96/408514596.db2.gz YFARPEDMWLGIMG-NSHDSACASA-N 0 3 317.349 1.637 20 5 DDBDHN CS[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000270472332 408541373 /nfs/dbraw/zinc/54/13/73/408541373.db2.gz MASCERNFDFQXOA-ZIAGYGMSSA-N 0 3 323.418 1.641 20 5 DDBDHN CCCc1n[nH]c(C(=O)NC[C@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC000264698902 408544465 /nfs/dbraw/zinc/54/44/65/408544465.db2.gz VVWYBIJBFQBSDC-VIFPVBQESA-N 0 3 309.370 1.483 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCC[C@H]1C(N)=O ZINC000184833247 408698102 /nfs/dbraw/zinc/69/81/02/408698102.db2.gz RANQVERJNIIPIK-OLZOCXBDSA-N 0 3 307.350 1.737 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCC[C@@H]1C(N)=O ZINC000184833203 408698500 /nfs/dbraw/zinc/69/85/00/408698500.db2.gz RANQVERJNIIPIK-STQMWFEESA-N 0 3 307.350 1.737 20 5 DDBDHN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CCN1CC(C)(C)O ZINC000189881895 163123214 /nfs/dbraw/zinc/12/32/14/163123214.db2.gz LYTPFWYFHASZGP-CYBMUJFWSA-N 0 3 307.394 1.872 20 5 DDBDHN CCN1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286380129 408974170 /nfs/dbraw/zinc/97/41/70/408974170.db2.gz GQCPNUWKIGOSSU-DZGCQCFKSA-N 0 3 323.393 1.361 20 5 DDBDHN C[C@H](NCCCN1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293628305 409150094 /nfs/dbraw/zinc/15/00/94/409150094.db2.gz HIYZEHGJDCTADA-LBPRGKRZSA-N 0 3 308.382 1.550 20 5 DDBDHN CO[C@H]1COC[C@@H]1N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000290208735 409321756 /nfs/dbraw/zinc/32/17/56/409321756.db2.gz PSZHKZCGNBMOKY-SWHYSGLUSA-N 0 3 323.349 1.315 20 5 DDBDHN Cc1ccc(NCCCNC(=O)[C@@H](C)NC2CC2)c([N+](=O)[O-])c1 ZINC000295142437 409341921 /nfs/dbraw/zinc/34/19/21/409341921.db2.gz IWTITNJJNMQBQQ-GFCCVEGCSA-N 0 3 320.393 1.962 20 5 DDBDHN Cc1cc(OCC(=O)N2CC[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000280548309 409352579 /nfs/dbraw/zinc/35/25/79/409352579.db2.gz MQXQAKSXBLTQAK-LBPRGKRZSA-N 0 3 307.350 1.445 20 5 DDBDHN Cc1n[nH]c(C(=O)N[C@H](C)CN2CCCCCC2)c1[N+](=O)[O-] ZINC000331466227 409541564 /nfs/dbraw/zinc/54/15/64/409541564.db2.gz HKBDDZUVOVDWRM-SNVBAGLBSA-N 0 3 309.370 1.621 20 5 DDBDHN Cn1cc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000331550679 409627236 /nfs/dbraw/zinc/62/72/36/409627236.db2.gz GWTFUSHYSFRFNC-CHWSQXEVSA-N 0 3 304.354 1.798 20 5 DDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCOC1CNC1 ZINC000348987143 409632074 /nfs/dbraw/zinc/63/20/74/409632074.db2.gz DZRPQFVKLAKGKZ-UHFFFAOYSA-N 0 3 321.377 1.710 20 5 DDBDHN CN1CCC(CCO)(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000354151440 409698479 /nfs/dbraw/zinc/69/84/79/409698479.db2.gz XGGSRFPLXHXWSZ-UHFFFAOYSA-N 0 3 321.377 1.100 20 5 DDBDHN C[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000357308590 409967003 /nfs/dbraw/zinc/96/70/03/409967003.db2.gz WNYSRUZWRVXNEZ-WDEREUQCSA-N 0 3 321.381 1.621 20 5 DDBDHN CCN1CCN(C[C@@H](C)CNc2c([N+](=O)[O-])ncn2C)CC1 ZINC000342822152 409925535 /nfs/dbraw/zinc/92/55/35/409925535.db2.gz QQGLRTDUZREDNW-LBPRGKRZSA-N 0 3 310.402 1.014 20 5 DDBDHN CCN1CC[C@H]2OCCN(c3nc(C)cc(C)c3[N+](=O)[O-])[C@@H]2C1 ZINC000338734769 410034086 /nfs/dbraw/zinc/03/40/86/410034086.db2.gz SZHZXKIUGRLADI-ZIAGYGMSSA-N 0 3 320.393 1.906 20 5 DDBDHN Cc1cccc(C(=O)N2CCN(CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000193156803 306726543 /nfs/dbraw/zinc/72/65/43/306726543.db2.gz YSNIWJWWSKEMIR-UHFFFAOYSA-N 0 3 320.393 1.223 20 5 DDBDHN Cc1c(C(=O)NC[C@H](C)N(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000298346882 410190557 /nfs/dbraw/zinc/19/05/57/410190557.db2.gz KNGMSGREHVISBC-QMMMGPOBSA-N 0 3 310.310 1.491 20 5 DDBDHN C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])[n-]2)C[C@H](C)O1 ZINC000298842987 410420085 /nfs/dbraw/zinc/42/00/85/410420085.db2.gz IMKLYGUKAZJWAE-PHIMTYICSA-N 0 3 310.354 1.152 20 5 DDBDHN C[C@@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])[n-]2)C[C@H](C)O1 ZINC000298842987 410420090 /nfs/dbraw/zinc/42/00/90/410420090.db2.gz IMKLYGUKAZJWAE-PHIMTYICSA-N 0 3 310.354 1.152 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343444155 410458814 /nfs/dbraw/zinc/45/88/14/410458814.db2.gz BACASZCRRBFRGP-ZYHUDNBSSA-N 0 3 309.370 1.089 20 5 DDBDHN COCCN(C)CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000339759399 410443350 /nfs/dbraw/zinc/44/33/50/410443350.db2.gz ZEMSGDWNZBFYSL-UHFFFAOYSA-N 0 3 323.393 1.567 20 5 DDBDHN COC(=O)COc1ccc(CN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000355602898 410601522 /nfs/dbraw/zinc/60/15/22/410601522.db2.gz WHZWUSXATYUURM-LLVKDONJSA-N 0 3 308.334 1.988 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1CCCC(C)(C)C1 ZINC000347425392 410541998 /nfs/dbraw/zinc/54/19/98/410541998.db2.gz HXYNXDWBQXWLBB-UHFFFAOYSA-N 0 3 323.397 1.338 20 5 DDBDHN CN1CCC[C@H](N2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)C1 ZINC000301285355 410689769 /nfs/dbraw/zinc/68/97/69/410689769.db2.gz LNMLZXQKTZWBOO-ZDUSSCGKSA-N 0 3 322.384 1.950 20 5 DDBDHN CN1CCC[C@H](N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000301310487 410695498 /nfs/dbraw/zinc/69/54/98/410695498.db2.gz ZRFOBRKCJCYHBM-AWEZNQCLSA-N 0 3 304.394 1.811 20 5 DDBDHN COC(=O)c1cnc(NC2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000302754681 410858123 /nfs/dbraw/zinc/85/81/23/410858123.db2.gz IGWBAACOWLMYFQ-UHFFFAOYSA-N 0 3 320.349 1.815 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)C[C@@H]1C ZINC000330680326 410873350 /nfs/dbraw/zinc/87/33/50/410873350.db2.gz YLXIWHRSGMWGIC-ZDUSSCGKSA-N 0 3 320.393 1.868 20 5 DDBDHN CN(C)CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000348436391 410965451 /nfs/dbraw/zinc/96/54/51/410965451.db2.gz XAPVYDDDEMQCPJ-AWEZNQCLSA-N 0 3 303.366 1.569 20 5 DDBDHN NC(=O)C1(NCCOc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000177124645 221841517 /nfs/dbraw/zinc/84/15/17/221841517.db2.gz CJECIVVCORQNQQ-UHFFFAOYSA-N 0 3 307.350 1.751 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](CO)c1ccccc1 ZINC000183657918 418520539 /nfs/dbraw/zinc/52/05/39/418520539.db2.gz NVJAKIZINGQKRX-AWEZNQCLSA-N 0 3 303.318 1.080 20 5 DDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000375068865 418598807 /nfs/dbraw/zinc/59/88/07/418598807.db2.gz PSWWBSSWWJLRDV-ZDUSSCGKSA-N 0 3 318.377 1.877 20 5 DDBDHN CN(C)[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C1CC1 ZINC000342000642 418627171 /nfs/dbraw/zinc/62/71/71/418627171.db2.gz CCGNDWAJLQEIOE-CYBMUJFWSA-N 0 3 317.349 1.996 20 5 DDBDHN COc1ccc(OCCN2CC[C@@H](CC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000367982416 418668378 /nfs/dbraw/zinc/66/83/78/418668378.db2.gz JEHRQCUPTWCVQO-NSHDSACASA-N 0 3 323.349 1.180 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1(O)CCN(C)CC1 ZINC000421780318 419724958 /nfs/dbraw/zinc/72/49/58/419724958.db2.gz RTXBVRXXIWDWPK-UHFFFAOYSA-N 0 3 321.377 1.398 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CNCCO3)o2)cc1 ZINC000415096420 419940259 /nfs/dbraw/zinc/94/02/59/419940259.db2.gz PTEWGVXIPQHWRK-OAHLLOKOSA-N 0 3 317.345 1.933 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000415508110 420095085 /nfs/dbraw/zinc/09/50/85/420095085.db2.gz ULQKNQRRQJYYGU-VHSXEESVSA-N 0 3 308.338 1.818 20 5 DDBDHN CN(C)CCS[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000446569213 230279652 /nfs/dbraw/zinc/27/96/52/230279652.db2.gz LFHHZJPESHMJBC-CYBMUJFWSA-N 0 3 309.391 1.995 20 5 DDBDHN CC(COC(=O)[C@H](C)NC(=O)/C=C/c1ccccc1)[N+](=O)[O-] ZINC000493267268 420803261 /nfs/dbraw/zinc/80/32/61/420803261.db2.gz ODDUBIHLJPSNNW-DGTDAXKGSA-N 0 3 306.318 1.413 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H](CO)[C@H](O)C3)o2)cc1 ZINC000459718021 420856402 /nfs/dbraw/zinc/85/64/02/420856402.db2.gz XHCSYBPJSKIOHS-IUODEOHRSA-N 0 3 318.329 1.640 20 5 DDBDHN CC[C@@H]1OCC[C@H]1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000459783721 420871628 /nfs/dbraw/zinc/87/16/28/420871628.db2.gz VUEKIKJQVXAMIF-OCCSQVGLSA-N 0 3 307.350 1.999 20 5 DDBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCCCN2CCO)c(F)c1 ZINC000449394343 421003918 /nfs/dbraw/zinc/00/39/18/421003918.db2.gz NTLPDSHHHAJCSZ-AWEZNQCLSA-N 0 3 311.357 1.670 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-]CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000489084408 421134674 /nfs/dbraw/zinc/13/46/74/421134674.db2.gz BFGNQTSZIGJVBH-UHFFFAOYSA-N 0 3 301.368 1.133 20 5 DDBDHN C[C@H]1CCN(CCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000524776430 421270940 /nfs/dbraw/zinc/27/09/40/421270940.db2.gz DZSBPPOVUJPDPN-LBPRGKRZSA-N 0 3 307.350 1.432 20 5 DDBDHN CCN(C[C@H]1CCCN1CC)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000548125581 421404876 /nfs/dbraw/zinc/40/48/76/421404876.db2.gz XLDPXAYESZUCKX-CYBMUJFWSA-N 0 3 323.397 1.514 20 5 DDBDHN COC(=O)CC1(NC[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000563222528 421474449 /nfs/dbraw/zinc/47/44/49/421474449.db2.gz WYOHTSLAXSXDCM-NSHDSACASA-N 0 3 324.333 1.020 20 5 DDBDHN CC1(C)CCCN[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000515053398 421475502 /nfs/dbraw/zinc/47/55/02/421475502.db2.gz XUJLEOFQWQRAHU-CQSZACIVSA-N 0 3 321.377 1.868 20 5 DDBDHN CN(CCNc1ccc(N)c([N+](=O)[O-])n1)Cc1ccc(F)cc1 ZINC000596151102 422366341 /nfs/dbraw/zinc/36/63/41/422366341.db2.gz NMMLZVYNZVROEV-UHFFFAOYSA-N 0 3 319.340 2.255 20 5 DDBDHN C[C@H]1CN(CCCNC(=O)c2cc([N+](=O)[O-])cn2C)CCCO1 ZINC000578386602 422560639 /nfs/dbraw/zinc/56/06/39/422560639.db2.gz QGCYQDKFOQPMGQ-LBPRGKRZSA-N 0 3 324.381 1.164 20 5 DDBDHN CC(C)(NC(=O)CNC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000236660077 263555422 /nfs/dbraw/zinc/55/54/22/263555422.db2.gz PZHMXMZEQWWKSP-AWEZNQCLSA-N 0 3 321.377 1.715 20 5 DDBDHN CO[C@H](C)[C@@H](C)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000341474286 271086111 /nfs/dbraw/zinc/08/61/11/271086111.db2.gz DUVLAODOPVRKNJ-GYSYKLTISA-N 0 3 307.350 1.713 20 5 DDBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000345923101 272366311 /nfs/dbraw/zinc/36/63/11/272366311.db2.gz QJPUVYDDXVDPQP-CHWSQXEVSA-N 0 3 320.393 1.996 20 5 DDBDHN COCc1cc([N+](=O)[O-])ccc1N1CCCN(CCO)CC1 ZINC000175093914 274053138 /nfs/dbraw/zinc/05/31/38/274053138.db2.gz UJGUIXXOCSCTMB-UHFFFAOYSA-N 0 3 309.366 1.246 20 5 DDBDHN Nc1ccc([N+](=O)[O-])c(N2CCN(C3CCOCC3)CC2)c1 ZINC000193463782 274964892 /nfs/dbraw/zinc/96/48/92/274964892.db2.gz JUVMPRZTZQSBSZ-UHFFFAOYSA-N 0 3 306.366 1.478 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCC[C@@H]2CN2CCC[C@@H]2CO)nc1 ZINC000301526269 275036288 /nfs/dbraw/zinc/03/62/88/275036288.db2.gz JFGYDYIJSBVXJC-ZIAGYGMSSA-N 0 3 306.366 1.415 20 5 DDBDHN CN(C)[C@H](CNc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000354697972 306784003 /nfs/dbraw/zinc/78/40/03/306784003.db2.gz DYVCCYTUSQSTCJ-ZDUSSCGKSA-N 0 3 303.366 1.913 20 5 DDBDHN CN(C)CCOCCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492339243 289166722 /nfs/dbraw/zinc/16/67/22/289166722.db2.gz OBIIFSQVVUBHGO-SREVYHEPSA-N 0 3 307.350 1.302 20 5 DDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000190671726 295356922 /nfs/dbraw/zinc/35/69/22/295356922.db2.gz DKIRRWAFLCNZKW-CYBMUJFWSA-N 0 3 318.377 1.877 20 5 DDBDHN COCCO[C@H]1COCC[C@H]1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000362508953 300081466 /nfs/dbraw/zinc/08/14/66/300081466.db2.gz ZQEHAFUPHCCDMX-ZBFHGGJFSA-N 0 3 324.377 1.813 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]3COC[C@H]32)c1 ZINC000368519558 301047131 /nfs/dbraw/zinc/04/71/31/301047131.db2.gz QUANIECLBTVHRC-JGGQBBKZSA-N 0 3 322.361 1.445 20 5 DDBDHN CCc1n[nH]c(C(=O)NC2CC(N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000372996328 301644169 /nfs/dbraw/zinc/64/41/69/301644169.db2.gz HXVIROCZDJDIMY-UHFFFAOYSA-N 0 3 321.381 1.627 20 5 DDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000376398159 302072492 /nfs/dbraw/zinc/07/24/92/302072492.db2.gz UTPYUGMPSWTDEK-WDEREUQCSA-N 0 3 307.354 1.027 20 5 DDBDHN C[C@]1(F)CNCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000420334525 302382770 /nfs/dbraw/zinc/38/27/70/302382770.db2.gz OTBLACNJMKUZDB-AWEZNQCLSA-N 0 3 308.313 1.869 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)C[NH3+])c1C ZINC000447241662 302395331 /nfs/dbraw/zinc/39/53/31/302395331.db2.gz BNEXOIHXBYQNPN-QMMMGPOBSA-N 0 3 301.368 1.085 20 5 DDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cn1C ZINC000531193719 303234564 /nfs/dbraw/zinc/23/45/64/303234564.db2.gz XHWGZEULNLNWJZ-NEPJUHHUSA-N 0 3 306.366 1.632 20 5 DDBDHN Cn1nccc1[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000363428795 307027907 /nfs/dbraw/zinc/02/79/07/307027907.db2.gz CRWFOOHRAXBMLC-GFCCVEGCSA-N 0 3 304.354 1.404 20 5 DDBDHN COC(=O)CCC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000531239791 307612768 /nfs/dbraw/zinc/61/27/68/307612768.db2.gz FDQHQKPPUKNNBF-UHFFFAOYSA-N 0 3 310.354 1.457 20 5 DDBDHN COC[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000543455291 307706546 /nfs/dbraw/zinc/70/65/46/307706546.db2.gz VWNVHFPPGMUNQQ-CQSZACIVSA-N 0 3 321.377 1.745 20 5 DDBDHN CNc1nc(C(=O)NC[C@@H](C)N2CCCC2)ccc1[N+](=O)[O-] ZINC000562893971 307947467 /nfs/dbraw/zinc/94/74/67/307947467.db2.gz PKFFUEUYNAMBAH-SNVBAGLBSA-N 0 3 307.354 1.246 20 5 DDBDHN N[C@@H](CC(F)F)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000581068968 308651463 /nfs/dbraw/zinc/65/14/63/308651463.db2.gz LBGAMFJXZGYNFE-JTQLQIEISA-N 0 3 303.265 1.072 20 5 DDBDHN COC(=O)CC1(NCCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000582788933 337166350 /nfs/dbraw/zinc/16/63/50/337166350.db2.gz PJGGQWQORGQKPD-UHFFFAOYSA-N 0 3 321.333 1.609 20 5 DDBDHN Cc1nn(C)c(N2CCN(C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000582940396 337220004 /nfs/dbraw/zinc/22/00/04/337220004.db2.gz XYNFRDJSZJPTMR-NSHDSACASA-N 0 3 307.398 1.947 20 5 DDBDHN C[C@H](C(=O)NCC1(O)CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000397552784 337276121 /nfs/dbraw/zinc/27/61/21/337276121.db2.gz ZLKIYAJWUKGCPV-LBPRGKRZSA-N 0 3 321.377 1.271 20 5 DDBDHN C[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000305768954 534030369 /nfs/dbraw/zinc/03/03/69/534030369.db2.gz VJXIKCWAOIZXTL-BXUZGUMPSA-N 0 3 307.350 1.626 20 5 DDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N(C)C ZINC000412394177 534041107 /nfs/dbraw/zinc/04/11/07/534041107.db2.gz MGSHJWQMSHXMGG-NSHDSACASA-N 0 3 317.349 1.460 20 5 DDBDHN Cc1c[nH+]cn1C1CCN(C(=O)c2[n-]nc(C)c2[N+](=O)[O-])CC1 ZINC000331931230 534714540 /nfs/dbraw/zinc/71/45/40/534714540.db2.gz NXOOEPZMKMQWMT-UHFFFAOYSA-N 0 3 318.337 1.609 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(c3nnc[nH]3)CC2)c1 ZINC000154428558 527394094 /nfs/dbraw/zinc/39/40/94/527394094.db2.gz YAUBCOUCGLINQN-AWEZNQCLSA-N 0 3 317.349 1.626 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(c3nc[nH]n3)CC2)c1 ZINC000154428558 527394101 /nfs/dbraw/zinc/39/41/01/527394101.db2.gz YAUBCOUCGLINQN-AWEZNQCLSA-N 0 3 317.349 1.626 20 5 DDBDHN CCN1CC[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000413826056 527854108 /nfs/dbraw/zinc/85/41/08/527854108.db2.gz AFENZBMADOVWCN-AWEZNQCLSA-N 0 3 318.377 1.757 20 5 DDBDHN CC1(C)CCCN[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000422939077 528943849 /nfs/dbraw/zinc/94/38/49/528943849.db2.gz QRNNQQDFFZYPJH-CQSZACIVSA-N 0 3 320.393 1.901 20 5 DDBDHN O=[N+]([O-])c1ccc2cnn(CN3CCN(CC4CC4)CC3)c2c1 ZINC000054551267 696277247 /nfs/dbraw/zinc/27/72/47/696277247.db2.gz OJNBIXAWABAKDU-UHFFFAOYSA-N 0 3 315.377 1.930 20 5 DDBDHN Cc1nn(CN2CCN(C3CCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000075582208 696421926 /nfs/dbraw/zinc/42/19/26/696421926.db2.gz KVKJEFYCFPKFFW-UHFFFAOYSA-N 0 3 307.398 1.926 20 5 DDBDHN Cn1cc(C(C)(C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000754882440 700535619 /nfs/dbraw/zinc/53/56/19/700535619.db2.gz JDCWKXCFCAJVIX-CQSZACIVSA-N 0 3 304.350 1.887 20 5 DDBDHN CCN(CC)CCS(=O)(=O)Oc1ccc(F)cc1[N+](=O)[O-] ZINC000810046666 701715976 /nfs/dbraw/zinc/71/59/76/701715976.db2.gz YDPARIBHLWRHPR-UHFFFAOYSA-N 0 3 320.342 1.784 20 5 DDBDHN CC(C)N(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCC(=O)N1 ZINC000839671025 701775457 /nfs/dbraw/zinc/77/54/57/701775457.db2.gz XXRQWNAXSOWXOL-HIFRSBDPSA-N 0 3 321.377 1.617 20 5 DDBDHN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102577 702291302 /nfs/dbraw/zinc/29/13/02/702291302.db2.gz SHVCUUOBQKVEEI-OCCSQVGLSA-N 0 3 320.345 1.694 20 5 DDBDHN CC(COC(=O)[C@H](C)n1ccc2ccccc2c1=O)[N+](=O)[O-] ZINC000813103672 702292079 /nfs/dbraw/zinc/29/20/79/702292079.db2.gz DQDZRROIYCMBRM-QWRGUYRKSA-N 0 3 304.302 1.771 20 5 DDBDHN CC(COC(=O)C[C@H](c1ccccc1)N1CCOC1=O)[N+](=O)[O-] ZINC000813113652 702298235 /nfs/dbraw/zinc/29/82/35/702298235.db2.gz SCFRUERSHTZPRH-DGCLKSJQSA-N 0 3 322.317 1.778 20 5 DDBDHN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCCC1 ZINC000842571970 702734963 /nfs/dbraw/zinc/73/49/63/702734963.db2.gz UXZVUVATRFZJLP-UHFFFAOYSA-N 0 3 304.306 1.507 20 5 DDBDHN CC([C@@H](OC(=O)[C@H]1CCN(C)C1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845878085 703211606 /nfs/dbraw/zinc/21/16/06/703211606.db2.gz QNHLDYZSEQBEMZ-SUZMYJTESA-N 0 3 324.308 1.554 20 5 DDBDHN CC1(C)C[C@H](O)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000879614940 706738808 /nfs/dbraw/zinc/73/88/08/706738808.db2.gz CKUFJPJTQLUXPA-KBPBESRZSA-N 0 3 324.377 1.427 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000869781557 703851349 /nfs/dbraw/zinc/85/13/49/703851349.db2.gz RJASTAFHZYPGCU-LBPRGKRZSA-N 0 3 321.377 1.478 20 5 DDBDHN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1cnc[nH]1 ZINC000852288235 703997699 /nfs/dbraw/zinc/99/76/99/703997699.db2.gz LXVFZFOPNGYQRV-UHFFFAOYSA-N 0 3 321.312 1.918 20 5 DDBDHN CC(C)N1C[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000818996455 704047356 /nfs/dbraw/zinc/04/73/56/704047356.db2.gz QWKMTIONNIDEKF-GXTWGEPZSA-N 0 3 307.350 1.227 20 5 DDBDHN O=[N+]([O-])c1cnn(CCNC[C@H](O)c2c(F)cccc2F)c1 ZINC000819176622 704081568 /nfs/dbraw/zinc/08/15/68/704081568.db2.gz LJZLRAAFCGSKBI-LBPRGKRZSA-N 0 3 312.276 1.393 20 5 DDBDHN CCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CCN(CC)C1 ZINC000855490881 704487488 /nfs/dbraw/zinc/48/74/88/704487488.db2.gz LGRBEUSZTVFDPO-LBPRGKRZSA-N 0 3 306.366 1.733 20 5 DDBDHN CC[NH2+]CC[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764284 704621879 /nfs/dbraw/zinc/62/18/79/704621879.db2.gz OHCDUKFWJPBMOI-UHFFFAOYSA-N 0 3 303.265 1.292 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(c3ccnc(CO)c3)CC2)cn1 ZINC000858344610 704697926 /nfs/dbraw/zinc/69/79/26/704697926.db2.gz RKQIPJVHSZFLDF-UHFFFAOYSA-N 0 3 315.333 1.204 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@](O)(c3ccccc3)C2)n1 ZINC000859585811 704943879 /nfs/dbraw/zinc/94/38/79/704943879.db2.gz CYNLNNOECVNSAF-INIZCTEOSA-N 0 3 316.361 1.775 20 5 DDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cccc([N+](=O)[O-])c1N ZINC000874836915 705193608 /nfs/dbraw/zinc/19/36/08/705193608.db2.gz IDKKXSPBGAGTDT-NWDGAFQWSA-N 0 3 304.350 1.486 20 5 DDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000874850085 705203235 /nfs/dbraw/zinc/20/32/35/705203235.db2.gz NUJBKPZLAIGDOE-QWHCGFSZSA-N 0 3 304.350 1.486 20 5 DDBDHN CCNC(=O)N1CC[C@H](NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000873078255 707721453 /nfs/dbraw/zinc/72/14/53/707721453.db2.gz KOCBOLGMRPTDOL-ZDUSSCGKSA-N 0 3 306.366 1.797 20 5 DDBDHN COc1cc(CN[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c([N+](=O)[O-])cc1O ZINC000897823477 708461700 /nfs/dbraw/zinc/46/17/00/708461700.db2.gz YTIPULTZPDIGKA-WJNGYNTMSA-N 0 3 306.318 1.574 20 5 DDBDHN CC1(N2CCOCC2)CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886298992 708738260 /nfs/dbraw/zinc/73/82/60/708738260.db2.gz NJCDSDXHJLRXSU-UHFFFAOYSA-N 0 3 320.393 1.677 20 5 DDBDHN C[C@]1(NC(=O)Cc2ccccc2[N+](=O)[O-])CN2CCC1CC2 ZINC000892801418 710502713 /nfs/dbraw/zinc/50/27/13/710502713.db2.gz SDLVBQYWFMLIKG-INIZCTEOSA-N 0 3 303.362 1.738 20 5 DDBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2COC[C@H]2C)cccc1[N+](=O)[O-] ZINC000905864733 712169361 /nfs/dbraw/zinc/16/93/61/712169361.db2.gz FTAJOIXJCNTKFP-SUZMYJTESA-N 0 3 307.350 1.855 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000913930633 713321441 /nfs/dbraw/zinc/32/14/41/713321441.db2.gz KEDWXUQPKIHLSM-RISCZKNCSA-N 0 3 321.381 1.399 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)NC(C)(C)CO ZINC000916572460 713458595 /nfs/dbraw/zinc/45/85/95/713458595.db2.gz IVVACCLVWZHMPF-VIFPVBQESA-N 0 3 311.338 1.291 20 5 DDBDHN CCN(CC)CC(=O)NC/C=C\CNc1ncccc1[N+](=O)[O-] ZINC001107204108 749586035 /nfs/dbraw/zinc/58/60/35/749586035.db2.gz JKCIXWBABFSIOU-WAYWQWQTSA-N 0 3 321.381 1.416 20 5 DDBDHN CCCN(C)CC(=O)NCCCN(C)c1ncccc1[N+](=O)[O-] ZINC001095605317 750073209 /nfs/dbraw/zinc/07/32/09/750073209.db2.gz FLEBRHROAIIJKR-UHFFFAOYSA-N 0 3 323.397 1.274 20 5 DDBDHN Cc1cccc(N2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169006710 762174832 /nfs/dbraw/zinc/17/48/32/762174832.db2.gz IZPVCCHTAXJZHB-LSDHHAIUSA-N 0 3 304.394 1.957 20 5 DDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CC(N3CCC(F)(F)CC3)C2)C1 ZINC001169038038 762192689 /nfs/dbraw/zinc/19/26/89/762192689.db2.gz VGKKMPAOXQLRHC-RYUDHWBXSA-N 0 3 303.353 1.847 20 5 DDBDHN Cc1ccnc(N2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169057125 762211206 /nfs/dbraw/zinc/21/12/06/762211206.db2.gz UYMHUMFZJLGLEG-UONOGXRCSA-N 0 3 305.382 1.352 20 5 DDBDHN Cc1ncc(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)o1 ZINC001129304491 754259666 /nfs/dbraw/zinc/25/96/66/754259666.db2.gz PMKRGINHRIWLQC-UHFFFAOYSA-N 0 3 318.333 1.340 20 5 DDBDHN C[C@@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)[C@H]1CNCCO1 ZINC001170568509 768179351 /nfs/dbraw/zinc/17/93/51/768179351.db2.gz IOMXDFURLZYDST-QMTHXVAHSA-N 0 3 306.366 1.657 20 5 DDBDHN C[C@@H](Nc1ccc2cnccc2c1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170568762 768181287 /nfs/dbraw/zinc/18/12/87/768181287.db2.gz HIOUUBZMOZAMLE-QMTHXVAHSA-N 0 3 302.334 1.932 20 5 DDBDHN Cc1nc(Cl)nc(N2C[C@@H]3CCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157261462 764729445 /nfs/dbraw/zinc/72/94/45/764729445.db2.gz RJNHITOONJUISB-VHSXEESVSA-N 0 3 311.773 1.877 20 5 DDBDHN O=C(Cc1cnoc1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001132739255 769148748 /nfs/dbraw/zinc/14/87/48/769148748.db2.gz OSLLWTVMXPFSPZ-UHFFFAOYSA-N 0 3 304.306 1.031 20 5 DDBDHN Cc1ccn(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)n1 ZINC001134002369 770538170 /nfs/dbraw/zinc/53/81/70/770538170.db2.gz WOZZYKJVCRLQFV-UHFFFAOYSA-N 0 3 317.349 1.006 20 5 DDBDHN CCN(CC)CC(=O)NCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001093647041 774947226 /nfs/dbraw/zinc/94/72/26/774947226.db2.gz XHSCQICZDOVDQM-UHFFFAOYSA-N 0 3 308.382 1.773 20 5 DDBDHN Cc1cnc(NCCNC(=O)C2(N(C)C)CCC2)c([N+](=O)[O-])c1 ZINC001093926428 775217783 /nfs/dbraw/zinc/21/77/83/775217783.db2.gz AZDVGPLMVGKJFE-UHFFFAOYSA-N 0 3 321.381 1.311 20 5 DDBDHN CCCN(C)CC(=O)NCCCNc1nc(C)ccc1[N+](=O)[O-] ZINC001094517600 775975858 /nfs/dbraw/zinc/97/58/58/775975858.db2.gz ZNZDMCHMEWRVKB-UHFFFAOYSA-N 0 3 323.397 1.558 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCC2OCCO2)c1F ZINC001173189318 777036343 /nfs/dbraw/zinc/03/63/43/777036343.db2.gz OJHYSZBXOZEFCL-VIFPVBQESA-N 0 3 314.313 1.636 20 5 DDBDHN CCCN(C)CC(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1 ZINC001101704314 777413716 /nfs/dbraw/zinc/41/37/16/777413716.db2.gz BAMPLOPYNFRKSE-UHFFFAOYSA-N 0 3 308.382 1.807 20 5 DDBDHN Cn1ccc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])n1 ZINC001176080435 778016665 /nfs/dbraw/zinc/01/66/65/778016665.db2.gz IZAVDOYJAYDABE-UHFFFAOYSA-N 0 3 317.349 1.238 20 5 DDBDHN O=C1NCCC12CCN(Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC001119265630 781386047 /nfs/dbraw/zinc/38/60/47/781386047.db2.gz QCMLDWFTNLHYAN-UHFFFAOYSA-N 0 3 307.325 1.836 20 5 DDBDHN Cn1cccc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001154711899 861383304 /nfs/dbraw/zinc/38/33/04/861383304.db2.gz HIBFUJUZRGEFMA-UHFFFAOYSA-N 0 3 322.390 1.905 20 5 DDBDHN Cc1cc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)[nH]n1 ZINC001155191042 861814202 /nfs/dbraw/zinc/81/42/02/861814202.db2.gz AHKJNNLBMILPGJ-UHFFFAOYSA-N 0 3 323.378 1.598 20 5 DDBDHN CCSCCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001124130867 859593686 /nfs/dbraw/zinc/59/36/86/859593686.db2.gz WDDKXTWXDBIOPC-UHFFFAOYSA-N 0 3 311.407 1.944 20 5 DDBDHN COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3[C@H](C2)CCCN3C)n1 ZINC001157263711 863690681 /nfs/dbraw/zinc/69/06/81/863690681.db2.gz BLGDZVAIBDNVEI-QWRGUYRKSA-N 0 3 307.354 1.232 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])[C@H]1[C@@H]2COC[C@@H]21 ZINC001164274226 869078535 /nfs/dbraw/zinc/07/85/35/869078535.db2.gz WIRFDAGBLWOPQP-NHAGDIPZSA-N 0 3 319.361 1.083 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](O)[C@](C)(CO)C1 ZINC001254553826 896499017 /nfs/dbraw/zinc/49/90/17/896499017.db2.gz ZQALIKTUIKTVQP-WQVCFCJDSA-N 0 3 308.378 1.591 20 5 DDBDHN CN(C)C[C@@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254593181 896520514 /nfs/dbraw/zinc/52/05/14/896520514.db2.gz JOYLAIHKOCGSSM-JKSUJKDBSA-N 0 3 305.378 1.324 20 5 DDBDHN CN(CCO)CCN(C)c1ccc([N+](=O)[O-])c2cccnc21 ZINC001262371464 900135589 /nfs/dbraw/zinc/13/55/89/900135589.db2.gz MFVQOFDEUHDOPL-UHFFFAOYSA-N 0 3 304.350 1.503 20 5 DDBDHN COCCC(=O)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001316623519 906506320 /nfs/dbraw/zinc/50/63/20/906506320.db2.gz DAHUOPPVWJFXHJ-MQMHXKEQSA-N 0 3 321.377 1.616 20 5 DDBDHN O=C(CCN[C@H](CO)[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000447907623 230503287 /nfs/dbraw/zinc/50/32/87/230503287.db2.gz ACPKIGSPLXMXES-OCCSQVGLSA-N 0 3 323.349 1.053 20 5 DDBDHN CSC1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCN(C)CC1 ZINC000358105082 299078067 /nfs/dbraw/zinc/07/80/67/299078067.db2.gz GLQRVOXYZGIJSH-UHFFFAOYSA-N 0 3 312.395 1.480 20 5 DDBDHN CO[C@@H]1C[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000451501302 231112164 /nfs/dbraw/zinc/11/21/64/231112164.db2.gz OUPNUIOZHNVEDD-QWHCGFSZSA-N 0 3 307.350 1.936 20 5 DDBDHN COc1ccc(NC(=O)N2CCN3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000272809069 210211347 /nfs/dbraw/zinc/21/13/47/210211347.db2.gz IWSBTQUUXYHOHR-GFCCVEGCSA-N 0 3 320.349 1.915 20 5 DDBDHN COc1cc(C(=O)NCCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000160246383 290769297 /nfs/dbraw/zinc/76/92/97/290769297.db2.gz NNMVEKQWSBJYIC-UHFFFAOYSA-N 0 3 307.350 1.819 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000286927842 219229355 /nfs/dbraw/zinc/22/93/55/219229355.db2.gz IWYBRTAFKCHITD-IINYFYTJSA-N 0 3 320.349 1.154 20 5 DDBDHN C[C@@H](CN1CCOCC1)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000279739385 215106031 /nfs/dbraw/zinc/10/60/31/215106031.db2.gz OOTJFTHMYNRQMO-AWEZNQCLSA-N 0 3 323.393 1.626 20 5 DDBDHN CCN1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000159733741 186138021 /nfs/dbraw/zinc/13/80/21/186138021.db2.gz LMGJGBSJFCDXNN-UHFFFAOYSA-N 0 3 320.393 1.875 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](OC)C1 ZINC000267839554 186372272 /nfs/dbraw/zinc/37/22/72/186372272.db2.gz UDTLKZJMRWVYEJ-LBPRGKRZSA-N 0 3 323.349 1.653 20 5 DDBDHN C[C@@]1(O)CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000280086609 215365580 /nfs/dbraw/zinc/36/55/80/215365580.db2.gz OETZZGNDABLOOQ-GDBMZVCRSA-N 0 3 324.377 1.571 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000358518318 299182261 /nfs/dbraw/zinc/18/22/61/299182261.db2.gz JTKSQMYHHSLIOP-NSHDSACASA-N 0 3 306.366 1.613 20 5 DDBDHN CC(C)N1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000028921458 352233045 /nfs/dbraw/zinc/23/30/45/352233045.db2.gz VRNGDGVAXLHCDM-HNNXBMFYSA-N 0 3 323.393 1.361 20 5 DDBDHN C[C@@H](NC[C@@H](C)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173390577 198209435 /nfs/dbraw/zinc/20/94/35/198209435.db2.gz NLXSAWLBIPJLLC-ZIAGYGMSSA-N 0 3 306.410 1.881 20 5 DDBDHN Cc1ccc([C@H](C)NC[C@H](O)CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000089514841 353774441 /nfs/dbraw/zinc/77/44/41/353774441.db2.gz RNHIHAXAYDNYNE-JSGCOSHPSA-N 0 3 321.377 1.537 20 5 DDBDHN C[C@H]1OCC[C@@]1(C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000494225950 235009032 /nfs/dbraw/zinc/00/90/32/235009032.db2.gz DPFQKHRPSNQNDB-IAQYHMDHSA-N 0 3 307.350 1.715 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000590010686 355040364 /nfs/dbraw/zinc/04/03/64/355040364.db2.gz OTTZBKPGGDFLLC-JSGCOSHPSA-N 0 3 318.377 1.478 20 5 DDBDHN Cc1cc(OCC(=O)N2CC[C@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590045783 355043833 /nfs/dbraw/zinc/04/38/33/355043833.db2.gz WDLCLIMWJLGGEL-SWLSCSKDSA-N 0 3 319.361 1.445 20 5 DDBDHN Cc1ccsc1[C@@H](CO)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000494628038 235064165 /nfs/dbraw/zinc/06/41/65/235064165.db2.gz AHBJHBCUQXAKHZ-GFCCVEGCSA-N 0 3 323.374 1.450 20 5 DDBDHN CN1CCC[C@@]2(CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)C1 ZINC000590141948 355053224 /nfs/dbraw/zinc/05/32/24/355053224.db2.gz VWQFUFAALZEUKO-OAHLLOKOSA-N 0 3 316.365 1.560 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000590446395 355099400 /nfs/dbraw/zinc/09/94/00/355099400.db2.gz TVSMNOSSPTXYPE-TVQRCGJNSA-N 0 3 315.333 1.247 20 5 DDBDHN CC(C)(CO)CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590655158 355139091 /nfs/dbraw/zinc/13/90/91/355139091.db2.gz BWJCQLDOGJARGW-UHFFFAOYSA-N 0 3 310.350 1.864 20 5 DDBDHN C[C@@H]1C[C@H]1c1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000591729267 355374114 /nfs/dbraw/zinc/37/41/14/355374114.db2.gz YNHLQCAURCNXJE-MPKXVKKWSA-N 0 3 320.349 1.658 20 5 DDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(CCN(C)C)C(=O)C1 ZINC000593051560 355780743 /nfs/dbraw/zinc/78/07/43/355780743.db2.gz LBJPPGYLRQMDAQ-ZDUSSCGKSA-N 0 3 320.393 1.362 20 5 DDBDHN CCN1CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593458030 355891518 /nfs/dbraw/zinc/89/15/18/355891518.db2.gz OIGIOTPJMKESSB-UHFFFAOYSA-N 0 3 309.341 1.831 20 5 DDBDHN Cc1cccc(N2CCN(CCN(C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000593486016 355900618 /nfs/dbraw/zinc/90/06/18/355900618.db2.gz GTMOVCFPIQQLBP-UHFFFAOYSA-N 0 3 306.366 1.113 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC[C@]1(O)CCOC1 ZINC000593669901 355961600 /nfs/dbraw/zinc/96/16/00/355961600.db2.gz CPECAACGMRXJPS-HNNXBMFYSA-N 0 3 310.350 1.625 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC[C@@]1(O)CCOC1 ZINC000593669902 355961667 /nfs/dbraw/zinc/96/16/67/355961667.db2.gz CPECAACGMRXJPS-OAHLLOKOSA-N 0 3 310.350 1.625 20 5 DDBDHN CCC(C)(C)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000594019853 356090597 /nfs/dbraw/zinc/09/05/97/356090597.db2.gz APKDDDHACGEVQQ-UHFFFAOYSA-N 0 3 322.409 1.563 20 5 DDBDHN CCC(C)(C)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000594593815 356259304 /nfs/dbraw/zinc/25/93/04/356259304.db2.gz DIRYBEFSJHKXSM-UHFFFAOYSA-N 0 3 321.381 1.399 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CCNC3(CCCCC3)C2)n1 ZINC000594629031 356269323 /nfs/dbraw/zinc/26/93/23/356269323.db2.gz WVDMTWZQPFMACD-UHFFFAOYSA-N 0 3 307.354 1.077 20 5 DDBDHN C[C@@H](CO)[C@@H]1CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595679780 356608273 /nfs/dbraw/zinc/60/82/73/356608273.db2.gz YCZWQXSMSAQCKQ-FZMZJTMJSA-N 0 3 321.377 1.677 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595744148 356632571 /nfs/dbraw/zinc/63/25/71/356632571.db2.gz TVXJDOXJUXFWST-IATRGZMQSA-N 0 3 324.377 1.283 20 5 DDBDHN COc1ccc(OCCN2C[C@@H]3COC[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000595762098 356641870 /nfs/dbraw/zinc/64/18/70/356641870.db2.gz ZXPOWZPUZRFGGD-WBMJQRKESA-N 0 3 322.361 1.951 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](F)[C@H](N)C1 ZINC000595907458 356700761 /nfs/dbraw/zinc/70/07/61/356700761.db2.gz UULMAFVUBRJTTL-CHWSQXEVSA-N 0 3 324.356 1.603 20 5 DDBDHN CN(C)CCn1cc(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cn1 ZINC000596096470 356770559 /nfs/dbraw/zinc/77/05/59/356770559.db2.gz HTTFZVWHZMNALC-UHFFFAOYSA-N 0 3 318.337 1.195 20 5 DDBDHN CN1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)C1 ZINC000596242838 356829762 /nfs/dbraw/zinc/82/97/62/356829762.db2.gz ARNHOWRHHKRLGP-MRXNPFEDSA-N 0 3 318.377 1.616 20 5 DDBDHN CCN1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000596269594 356838743 /nfs/dbraw/zinc/83/87/43/356838743.db2.gz UTFJBNONMWGNSU-JTQLQIEISA-N 0 3 307.354 1.009 20 5 DDBDHN CC[C@@H](NCc1nc(C[NH3+])cc(=O)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000596654390 356943358 /nfs/dbraw/zinc/94/33/58/356943358.db2.gz NTJSVVNVTKRTJU-CYBMUJFWSA-N 0 3 317.349 1.790 20 5 DDBDHN COC(=O)[C@@H]1OCC[C@@H]1N[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000597188649 357087781 /nfs/dbraw/zinc/08/77/81/357087781.db2.gz XTZAERAYLBQSAN-OSAQELSMSA-N 0 3 322.361 1.836 20 5 DDBDHN CCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000597947224 357394539 /nfs/dbraw/zinc/39/45/39/357394539.db2.gz WABXGJMKMGWTNT-LBPRGKRZSA-N 0 3 306.366 1.559 20 5 DDBDHN CCCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000598341624 357544466 /nfs/dbraw/zinc/54/44/66/357544466.db2.gz DWFRANBJCXIICE-NSHDSACASA-N 0 3 307.350 1.818 20 5 DDBDHN CCN1CCC[C@H]1CNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598588079 357642155 /nfs/dbraw/zinc/64/21/55/357642155.db2.gz YWWYDNQTDWJAFD-JTQLQIEISA-N 0 3 308.338 1.673 20 5 DDBDHN CCOC(=O)c1cc(NCCN2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599175700 357840457 /nfs/dbraw/zinc/84/04/57/357840457.db2.gz INSCOMUYUHALKK-GFCCVEGCSA-N 0 3 323.349 1.250 20 5 DDBDHN CC[C@@H]1CN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000599179701 357841622 /nfs/dbraw/zinc/84/16/22/357841622.db2.gz RHVSANMAAHFVFT-VHSXEESVSA-N 0 3 308.338 1.353 20 5 DDBDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599622395 357995698 /nfs/dbraw/zinc/99/56/98/357995698.db2.gz BPLIXVOPTLYSHP-KIGUWFBYSA-N 0 3 307.350 1.935 20 5 DDBDHN CC(C)(C)[C@@H](CO)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000180632712 199187778 /nfs/dbraw/zinc/18/77/78/199187778.db2.gz KMEJRHHMYYBPTI-CYBMUJFWSA-N 0 3 310.350 1.958 20 5 DDBDHN O=[N+]([O-])c1ccccc1OCc1cn(CCN2CCCC2)nn1 ZINC000600978800 358367617 /nfs/dbraw/zinc/36/76/17/358367617.db2.gz UAGBHHGVXRLWQW-UHFFFAOYSA-N 0 3 317.349 1.861 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H](OC)[C@@H]1CCOC1 ZINC000602547146 359038296 /nfs/dbraw/zinc/03/82/96/359038296.db2.gz AIYXGUUQWJEITO-IAQYHMDHSA-N 0 3 310.350 1.745 20 5 DDBDHN Cc1c(CN2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000602726441 359153190 /nfs/dbraw/zinc/15/31/90/359153190.db2.gz WQMCXADCVWAZBL-IYBDPMFKSA-N 0 3 317.345 1.388 20 5 DDBDHN Cn1cc(CNC2(CO)C3CC4CC(C3)CC2C4)c([N+](=O)[O-])n1 ZINC000602843856 359232660 /nfs/dbraw/zinc/23/26/60/359232660.db2.gz ILXFJOGGEBORRW-UHFFFAOYSA-N 0 3 320.393 1.605 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](CO)c1ccccc1C ZINC000602807212 359204146 /nfs/dbraw/zinc/20/41/46/359204146.db2.gz QWDKCTKEJATOKN-CQSZACIVSA-N 0 3 304.350 1.731 20 5 DDBDHN CCOC1CC2(C1)CCN(CCn1c(C)ncc1[N+](=O)[O-])C2 ZINC000602830027 359222387 /nfs/dbraw/zinc/22/23/87/359222387.db2.gz ULQAJDGQRNIKAY-UHFFFAOYSA-N 0 3 308.382 1.991 20 5 DDBDHN CCn1nccc1CCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963736 359328143 /nfs/dbraw/zinc/32/81/43/359328143.db2.gz ZKARILVFKNJTLN-INIZCTEOSA-N 0 3 318.377 1.851 20 5 DDBDHN Cc1nn(CCCN2CCN(C(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000188185146 200205608 /nfs/dbraw/zinc/20/56/08/200205608.db2.gz JLISQZICEODZGS-UHFFFAOYSA-N 0 3 309.414 1.824 20 5 DDBDHN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(CC2CC2)C1 ZINC000609382543 360303136 /nfs/dbraw/zinc/30/31/36/360303136.db2.gz BZOAUEGMORXJOI-CYBMUJFWSA-N 0 3 319.361 1.574 20 5 DDBDHN O=[N+]([O-])c1cnc(N2CCC[C@@H]2CN2CCC[C@H]2CO)s1 ZINC000374490958 307209114 /nfs/dbraw/zinc/20/91/14/307209114.db2.gz XWLYQRBPCMUFOL-MNOVXSKESA-N 0 3 312.395 1.477 20 5 DDBDHN CCO[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000612030394 360894376 /nfs/dbraw/zinc/89/43/76/360894376.db2.gz UMSDEWJTKNQMKR-UONOGXRCSA-N 0 3 324.377 1.835 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CC[NH2+]C2)c1 ZINC000193239401 201010869 /nfs/dbraw/zinc/01/08/69/201010869.db2.gz SDTKIQAEGJHFGJ-MRVPVSSYSA-N 0 3 319.770 1.197 20 5 DDBDHN Cn1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1=O ZINC000618759108 363750616 /nfs/dbraw/zinc/75/06/16/363750616.db2.gz TZZUEMBHMPEYHY-UHFFFAOYSA-N 0 3 317.349 1.327 20 5 DDBDHN Cc1cn(C[C@H](O)CN(C)Cc2ccccc2)nc1[N+](=O)[O-] ZINC000619525396 364048223 /nfs/dbraw/zinc/04/82/23/364048223.db2.gz NSEGZLAVJQVBDZ-CQSZACIVSA-N 0 3 304.350 1.593 20 5 DDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1F)CCNC2 ZINC000261715208 203099695 /nfs/dbraw/zinc/09/96/95/203099695.db2.gz KZIXUMNEYBDSBZ-UHFFFAOYSA-N 0 3 319.296 1.215 20 5 DDBDHN COc1cc(OCC(=O)N2CCN[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000262734381 203395404 /nfs/dbraw/zinc/39/54/04/203395404.db2.gz CCEHEYLHJOLBBZ-WDEREUQCSA-N 0 3 323.349 1.191 20 5 DDBDHN CN(C)CC1(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCC1 ZINC000282650822 217152501 /nfs/dbraw/zinc/15/25/01/217152501.db2.gz ARHCTGJLRFWCGX-UHFFFAOYSA-N 0 3 310.329 1.530 20 5 DDBDHN C[C@@H](NC[C@H](O)COC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000271685686 209125329 /nfs/dbraw/zinc/12/53/29/209125329.db2.gz DIVNHBTUACFMHC-OLZOCXBDSA-N 0 3 324.377 1.802 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCN(C)C2CC2)c1 ZINC000351544861 284371005 /nfs/dbraw/zinc/37/10/05/284371005.db2.gz NUDBAFOCUUUCLN-UHFFFAOYSA-N 0 3 307.350 1.912 20 5 DDBDHN COc1ccc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000334042161 249190184 /nfs/dbraw/zinc/19/01/84/249190184.db2.gz GZFYJTBZHWJYGS-JQWIXIFHSA-N 0 3 307.350 1.816 20 5 DDBDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285007070 218253532 /nfs/dbraw/zinc/25/35/32/218253532.db2.gz CUQFTWPTKMWMAR-JTQLQIEISA-N 0 3 309.370 1.558 20 5 DDBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])n[nH]2)o1 ZINC000285054195 218272409 /nfs/dbraw/zinc/27/24/09/218272409.db2.gz HUYNUVPSDDTXAE-UHFFFAOYSA-N 0 3 321.337 1.423 20 5 DDBDHN CCN1CCCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000110991877 194378394 /nfs/dbraw/zinc/37/83/94/194378394.db2.gz MFJGGWJKWKODBV-GFCCVEGCSA-N 0 3 309.370 1.090 20 5 DDBDHN COCCN1CC[C@@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000491564788 532977042 /nfs/dbraw/zinc/97/70/42/532977042.db2.gz ZAIKOVMKVHMVPY-GEXIGZQTSA-N 0 3 319.361 1.445 20 5 DDBDHN CN(CCOc1ccc(F)cc1)CCn1cc([N+](=O)[O-])cn1 ZINC000157472625 197190023 /nfs/dbraw/zinc/19/00/23/197190023.db2.gz XBJGYUDKWWXDGJ-UHFFFAOYSA-N 0 3 308.313 1.941 20 5 DDBDHN O=[N+]([O-])c1cnc(N2CC[C@@H](OCCN3CCCCC3)C2)nc1 ZINC000302205791 285176386 /nfs/dbraw/zinc/17/63/86/285176386.db2.gz DFHYPSJUEFRLQV-CQSZACIVSA-N 0 3 321.381 1.466 20 5 DDBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000157152882 197166906 /nfs/dbraw/zinc/16/69/06/197166906.db2.gz SIUOQMCXZLWAGP-YPMHNXCESA-N 0 3 318.377 1.733 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1NCCCC1(C)C ZINC000423067527 533222649 /nfs/dbraw/zinc/22/26/49/533222649.db2.gz ZMQKOXFTVQYDSP-CQSZACIVSA-N 0 3 321.377 1.998 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000569502904 304358980 /nfs/dbraw/zinc/35/89/80/304358980.db2.gz MELFLOVCSBXRAM-CORIIIEPSA-N 0 3 318.377 1.208 20 5 DDBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000360726967 299731173 /nfs/dbraw/zinc/73/11/73/299731173.db2.gz TYEKJXYLOXDODD-SNVBAGLBSA-N 0 3 309.370 1.131 20 5 DDBDHN C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)N(C)C1CC1 ZINC000068216797 406626585 /nfs/dbraw/zinc/62/65/85/406626585.db2.gz XDEKJGZNXZTWIQ-SECBINFHSA-N 0 3 317.349 1.684 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2CC[C@H](C1)N2C ZINC000073995425 406899942 /nfs/dbraw/zinc/89/99/42/406899942.db2.gz ACIMKQBBZOCNOL-QWHCGFSZSA-N 0 3 321.381 1.185 20 5 DDBDHN CCCc1n[nH]c(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000127863095 407473253 /nfs/dbraw/zinc/47/32/53/407473253.db2.gz GJQNSQADNRSFSJ-GHMZBOCLSA-N 0 3 323.397 1.825 20 5 DDBDHN CCCc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000127863095 407473258 /nfs/dbraw/zinc/47/32/58/407473258.db2.gz GJQNSQADNRSFSJ-GHMZBOCLSA-N 0 3 323.397 1.825 20 5 DDBDHN COC[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000112991252 407456094 /nfs/dbraw/zinc/45/60/94/407456094.db2.gz RXRDTFGXKQPDQQ-HIFRSBDPSA-N 0 3 324.377 1.693 20 5 DDBDHN CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1N(C)C ZINC000271205476 407573456 /nfs/dbraw/zinc/57/34/56/407573456.db2.gz XTYTZKXTXPGTFW-NEPJUHHUSA-N 0 3 324.406 1.295 20 5 DDBDHN Cc1ccc(NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000170845439 407526918 /nfs/dbraw/zinc/52/69/18/407526918.db2.gz QEXVUKMYKJJVHO-GFCCVEGCSA-N 0 3 320.349 1.004 20 5 DDBDHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000186737262 407763314 /nfs/dbraw/zinc/76/33/14/407763314.db2.gz XGXWQVJTABIEHT-CZUORRHYSA-N 0 3 321.377 1.744 20 5 DDBDHN COC(=O)c1cc(NC(=O)[C@@H]2CCCCN2)cc([N+](=O)[O-])c1 ZINC000153824085 407911378 /nfs/dbraw/zinc/91/13/78/407911378.db2.gz FUAGCKHXTIUKHP-LBPRGKRZSA-N 0 3 307.306 1.462 20 5 DDBDHN CCC([NH3+])(CC)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000133486612 407849965 /nfs/dbraw/zinc/84/99/65/407849965.db2.gz IQSIUKROXHPDAG-UHFFFAOYSA-N 0 3 315.395 1.699 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000272672218 408008273 /nfs/dbraw/zinc/00/82/73/408008273.db2.gz TYOQGPOYXPPVKK-MNOVXSKESA-N 0 3 321.381 1.608 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000272672218 408008280 /nfs/dbraw/zinc/00/82/80/408008280.db2.gz TYOQGPOYXPPVKK-MNOVXSKESA-N 0 3 321.381 1.608 20 5 DDBDHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000245854048 408079244 /nfs/dbraw/zinc/07/92/44/408079244.db2.gz DHDIXYGCFMVVKX-QWRGUYRKSA-N 0 3 307.354 1.027 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000155339321 408156523 /nfs/dbraw/zinc/15/65/23/408156523.db2.gz XZVMHIZQSMTWGO-IINYFYTJSA-N 0 3 306.366 1.757 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC(OC[C@@H]3CCOC3)CC2)n1 ZINC000131991178 162028415 /nfs/dbraw/zinc/02/84/15/162028415.db2.gz VPMSJHQQCLYSSF-CYBMUJFWSA-N 0 3 324.381 1.309 20 5 DDBDHN C[C@@H](NC[C@@H](O)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000173363999 162334452 /nfs/dbraw/zinc/33/44/52/162334452.db2.gz NIBOYQRJFCWBAX-BXUZGUMPSA-N 0 3 307.350 1.229 20 5 DDBDHN CCOC(=O)[C@@](C)(O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000274671086 408489114 /nfs/dbraw/zinc/48/91/14/408489114.db2.gz SMIZFFYUXRXEKP-ABAIWWIYSA-N 0 3 310.350 1.868 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160561084 408498394 /nfs/dbraw/zinc/49/83/94/408498394.db2.gz LJVMFHULIBKQCZ-AWEZNQCLSA-N 0 3 321.377 1.480 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000177052922 408509008 /nfs/dbraw/zinc/50/90/08/408509008.db2.gz MAQJNIZZMIJFJP-WCQYABFASA-N 0 3 303.362 1.879 20 5 DDBDHN CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000248457536 408570674 /nfs/dbraw/zinc/57/06/74/408570674.db2.gz MKFVNZSTJWOKKL-KGLIPLIRSA-N 0 3 324.377 1.835 20 5 DDBDHN CC[C@](C)(NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(N)=O ZINC000177133018 408532314 /nfs/dbraw/zinc/53/23/14/408532314.db2.gz TYOLXWLYSNZOET-HNNXBMFYSA-N 0 3 322.365 1.475 20 5 DDBDHN C[C@H](c1cccnc1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270680740 408633451 /nfs/dbraw/zinc/63/34/51/408633451.db2.gz UPNOSDPQCLECKZ-RISCZKNCSA-N 0 3 305.338 1.240 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCC[C@H]1CO ZINC000249515287 408737157 /nfs/dbraw/zinc/73/71/57/408737157.db2.gz BZMPORYJMHIJSV-STQMWFEESA-N 0 3 310.350 1.181 20 5 DDBDHN COc1cc(C(=O)NCC2(N(C)C)CCC2)ccc1[N+](=O)[O-] ZINC000275976183 408737426 /nfs/dbraw/zinc/73/74/26/408737426.db2.gz MAYCCENZXRYLLS-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN COCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000194834757 408800925 /nfs/dbraw/zinc/80/09/25/408800925.db2.gz KIEATPDQJRVGNI-UHFFFAOYSA-N 0 3 321.377 1.744 20 5 DDBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000249764531 408764148 /nfs/dbraw/zinc/76/41/48/408764148.db2.gz ZRXVHYRLFMPWOJ-NEPJUHHUSA-N 0 3 309.370 1.028 20 5 DDBDHN CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@@H](O)CN(C)C1CC1 ZINC000290796303 408834777 /nfs/dbraw/zinc/83/47/77/408834777.db2.gz PBTRBERSGXKIDZ-ZDUSSCGKSA-N 0 3 308.334 1.631 20 5 DDBDHN C[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000237420477 163378129 /nfs/dbraw/zinc/37/81/29/163378129.db2.gz QLVJZVCGSGUPQH-NEPJUHHUSA-N 0 3 306.366 1.240 20 5 DDBDHN CC(C)(NC[C@@H](O)Cn1cccn1)c1ccccc1[N+](=O)[O-] ZINC000292130039 408986249 /nfs/dbraw/zinc/98/62/49/408986249.db2.gz LEEGKAUOVXJCEI-GFCCVEGCSA-N 0 3 304.350 1.677 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000293425314 409110450 /nfs/dbraw/zinc/11/04/50/409110450.db2.gz NIWCFUDNCHPELC-MJBXVCDLSA-N 0 3 323.393 1.359 20 5 DDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283623734 409185870 /nfs/dbraw/zinc/18/58/70/409185870.db2.gz AXWCDJBBTZFICT-SNVBAGLBSA-N 0 3 324.356 1.730 20 5 DDBDHN CC(C(=O)N(C)CCc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000288172845 409159166 /nfs/dbraw/zinc/15/91/66/409159166.db2.gz FJEWUVYYHBZFBA-JTQLQIEISA-N 0 3 314.363 1.029 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnn1CCN(C)C ZINC000293983311 409219426 /nfs/dbraw/zinc/21/94/26/409219426.db2.gz GPACVXZFMFIYEI-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN CC(C)N(CCOCCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283804677 409220165 /nfs/dbraw/zinc/22/01/65/409220165.db2.gz WFAGWXIRKLFVLS-UHFFFAOYSA-N 0 3 300.330 1.953 20 5 DDBDHN COCCCN(C)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284229748 409299992 /nfs/dbraw/zinc/29/99/92/409299992.db2.gz UMSDPPXVCFYABN-LBPRGKRZSA-N 0 3 310.398 1.796 20 5 DDBDHN CNc1c(C(=O)NC[C@H](C)N(C)C2CC2)cccc1[N+](=O)[O-] ZINC000318614214 164032198 /nfs/dbraw/zinc/03/21/98/164032198.db2.gz JBPICLVSDFZJQV-JTQLQIEISA-N 0 3 306.366 1.849 20 5 DDBDHN Cn1cc([C@@H](NCCn2cc([N+](=O)[O-])cn2)C(C)(C)C)cn1 ZINC000342343176 409581986 /nfs/dbraw/zinc/58/19/86/409581986.db2.gz RRFGSZHBBKZVFU-CYBMUJFWSA-N 0 3 306.370 1.902 20 5 DDBDHN Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CCN(C)[C@@H](C)C3)n2)n1C ZINC000331647008 409730121 /nfs/dbraw/zinc/73/01/21/409730121.db2.gz YPKJTFXLNYEOTN-WPRPVWTQSA-N 0 3 320.353 1.884 20 5 DDBDHN CN1CC[C@@](O)(CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000342832072 409936027 /nfs/dbraw/zinc/93/60/27/409936027.db2.gz RAKJHVBUHNXXMK-GFCCVEGCSA-N 0 3 309.351 1.078 20 5 DDBDHN CCN1CC[C@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000339389468 410151087 /nfs/dbraw/zinc/15/10/87/410151087.db2.gz CCSAYMMOILPBAN-HZPDHXFCSA-N 0 3 305.378 1.890 20 5 DDBDHN O=C(NCCNc1ccncc1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000346804052 410161831 /nfs/dbraw/zinc/16/18/31/410161831.db2.gz MOJIHYDKPLQRIL-UHFFFAOYSA-N 0 3 319.296 1.784 20 5 DDBDHN CN(C)[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])c1)c1ccccc1 ZINC000298286915 410166835 /nfs/dbraw/zinc/16/68/35/410166835.db2.gz AQIHJTOLNAFXOQ-ZDUSSCGKSA-N 0 3 317.349 1.210 20 5 DDBDHN COc1ccc(NC(=O)CCN2C[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000351826457 410268025 /nfs/dbraw/zinc/26/80/25/410268025.db2.gz KBFVHADWRBKBPM-IINYFYTJSA-N 0 3 323.349 1.245 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)N1C ZINC000339618880 410332890 /nfs/dbraw/zinc/33/28/90/410332890.db2.gz GNSGIIAPTLFDFG-UMVBOHGHSA-N 0 3 323.393 1.359 20 5 DDBDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)N1C ZINC000339621171 410338650 /nfs/dbraw/zinc/33/86/50/410338650.db2.gz GERMDTZPVSWVJV-CHWSQXEVSA-N 0 3 320.393 1.948 20 5 DDBDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)N1CCC[C@H](C)C1 ZINC000298755318 410382018 /nfs/dbraw/zinc/38/20/18/410382018.db2.gz YACISCNPJBTAGD-WDEREUQCSA-N 0 3 321.381 1.621 20 5 DDBDHN CN1CCC[C@H](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301075484 410650395 /nfs/dbraw/zinc/65/03/95/410650395.db2.gz BLLYGSMMXQVQSX-SNVBAGLBSA-N 0 3 320.349 1.679 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343851582 410746568 /nfs/dbraw/zinc/74/65/68/410746568.db2.gz DMPRQEQLFFAHNJ-TZMCWYRMSA-N 0 3 320.393 1.919 20 5 DDBDHN CC(C)(C)[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000343884840 410778647 /nfs/dbraw/zinc/77/86/47/410778647.db2.gz VRKWPMQYDWUDTF-DGCLKSJQSA-N 0 3 308.382 1.883 20 5 DDBDHN CCCN1CCC(N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000330561162 410778986 /nfs/dbraw/zinc/77/89/86/410778986.db2.gz SLBWCWTVSGAEPK-UHFFFAOYSA-N 0 3 309.370 1.275 20 5 DDBDHN CC1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000129242711 196032382 /nfs/dbraw/zinc/03/23/82/196032382.db2.gz DFYOFOAFHYPCCS-UHFFFAOYSA-N 0 3 313.379 1.263 20 5 DDBDHN Cc1ccc(NCCCNC(=O)NCCN(C)C)c([N+](=O)[O-])c1 ZINC000133730431 196332292 /nfs/dbraw/zinc/33/22/92/196332292.db2.gz PNQKYEHEHYRMLH-UHFFFAOYSA-N 0 3 323.397 1.566 20 5 DDBDHN CC[C@@](C)(NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(N)=O ZINC000177126256 221841814 /nfs/dbraw/zinc/84/18/14/221841814.db2.gz MBRWZBUKKNJNTF-OAHLLOKOSA-N 0 3 322.365 1.475 20 5 DDBDHN C[C@@H](CO)N1CCCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000375509499 418651377 /nfs/dbraw/zinc/65/13/77/418651377.db2.gz WCAYVFXLMZRSIY-JTQLQIEISA-N 0 3 321.337 1.024 20 5 DDBDHN Cc1cc(NCCc2nc(N)no2)c2cc([N+](=O)[O-])ccc2n1 ZINC000340804811 418624029 /nfs/dbraw/zinc/62/40/29/418624029.db2.gz UEOSQPFKDOWKQJ-UHFFFAOYSA-N 0 3 314.305 1.493 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1NC[C@H]1CN3CCC[C@H]3CO1)CCN2 ZINC000365542874 418872808 /nfs/dbraw/zinc/87/28/08/418872808.db2.gz CBCZIJHOAXOHMA-RYUDHWBXSA-N 0 3 318.377 1.838 20 5 DDBDHN CC(C)(C)[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000411372045 418897914 /nfs/dbraw/zinc/89/79/14/418897914.db2.gz ZQDSTEGFEQMMQM-ZDUSSCGKSA-N 0 3 322.365 1.413 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@](O)(C2CC2)C1 ZINC000365839606 418914649 /nfs/dbraw/zinc/91/46/49/418914649.db2.gz RWJVSIRUOVHXNT-BBRMVZONSA-N 0 3 322.361 1.181 20 5 DDBDHN COc1cc(CN[C@@H](CO)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000411983253 419542190 /nfs/dbraw/zinc/54/21/90/419542190.db2.gz FNJLTWVYIWAPBZ-OLZOCXBDSA-N 0 3 310.350 1.481 20 5 DDBDHN C[C@H](NC(=O)N1CCOC2(CNC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000418230898 419631673 /nfs/dbraw/zinc/63/16/73/419631673.db2.gz KGOFKUQYHAPEQE-NSHDSACASA-N 0 3 320.349 1.040 20 5 DDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000420345333 420225405 /nfs/dbraw/zinc/22/54/05/420225405.db2.gz AOHISBLMTHLHHP-BNOWGMLFSA-N 0 3 318.377 1.748 20 5 DDBDHN CN(C)C1(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000416309569 420322705 /nfs/dbraw/zinc/32/27/05/420322705.db2.gz WHFYCBPYHJSKPA-UHFFFAOYSA-N 0 3 313.304 1.626 20 5 DDBDHN C[C@H]1NCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000417766920 420473007 /nfs/dbraw/zinc/47/30/07/420473007.db2.gz PTUUTVIRGRDDJW-VXGBXAGGSA-N 0 3 306.366 1.529 20 5 DDBDHN CC1(C)CCCN1CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000457063517 420600001 /nfs/dbraw/zinc/60/00/01/420600001.db2.gz VZEUAOGWBQCSQG-UHFFFAOYSA-N 0 3 307.354 1.176 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)CC[NH3+])c1[N+](=O)[O-] ZINC000440857132 420613697 /nfs/dbraw/zinc/61/36/97/420613697.db2.gz FBMVUZKSMSUJJW-JTQLQIEISA-N 0 3 301.368 1.227 20 5 DDBDHN C[C@@H]1NCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])[C@H]1C ZINC000493498403 420865886 /nfs/dbraw/zinc/86/58/86/420865886.db2.gz QHAYMRZDPYGEOZ-LJRGRFNSSA-N 0 3 307.325 1.956 20 5 DDBDHN C[C@H](NC(=O)NCCOCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000471635103 420934401 /nfs/dbraw/zinc/93/44/01/420934401.db2.gz HYERMXVXEQXGPW-LBPRGKRZSA-N 0 3 324.381 1.533 20 5 DDBDHN O=C(N[C@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000449664576 421052472 /nfs/dbraw/zinc/05/24/72/421052472.db2.gz PWBJPMYMXNBADJ-JTQLQIEISA-N 0 3 303.240 1.461 20 5 DDBDHN CNc1nc(C(=O)N[C@@H]2CCCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000456066594 421094534 /nfs/dbraw/zinc/09/45/34/421094534.db2.gz MMXGZNZUYJPBJU-LLVKDONJSA-N 0 3 321.381 1.634 20 5 DDBDHN CC(COC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496001001 421116838 /nfs/dbraw/zinc/11/68/38/421116838.db2.gz CZQRUZXOYOFBIV-VHSXEESVSA-N 0 3 304.343 1.698 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000524783286 421273103 /nfs/dbraw/zinc/27/31/03/421273103.db2.gz FTGMFNKPELCJOC-YPMHNXCESA-N 0 3 306.366 1.877 20 5 DDBDHN Cc1ccc2c(c1)[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)CO2 ZINC000563529883 421518003 /nfs/dbraw/zinc/51/80/03/421518003.db2.gz KBGHUANIKFHOPT-JSGCOSHPSA-N 0 3 318.333 1.184 20 5 DDBDHN CN(C)c1ncc(CNCCOc2ccc([N+](=O)[O-])cc2)n1C ZINC000563351563 421489948 /nfs/dbraw/zinc/48/99/48/421489948.db2.gz KHXUKSKBTANCDH-UHFFFAOYSA-N 0 3 319.365 1.563 20 5 DDBDHN CN(C)Cc1ccccc1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000549158811 421496873 /nfs/dbraw/zinc/49/68/73/421496873.db2.gz LZHPGNKPCOAMEA-UHFFFAOYSA-N 0 3 303.322 1.310 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCCN(C)C2)n1 ZINC000519666029 421715772 /nfs/dbraw/zinc/71/57/72/421715772.db2.gz YMAOHAFMFXDKEC-LLVKDONJSA-N 0 3 322.365 1.554 20 5 DDBDHN CC(C)(C)N1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000542836922 421831232 /nfs/dbraw/zinc/83/12/32/421831232.db2.gz AVBNXEWQFBJOPS-UHFFFAOYSA-N 0 3 321.381 1.750 20 5 DDBDHN C[C@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CN1C1CC1 ZINC000584383765 422299101 /nfs/dbraw/zinc/29/91/01/422299101.db2.gz PEOQRFYKDGKYIK-UWVGGRQHSA-N 0 3 302.338 1.675 20 5 DDBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000594282472 422343632 /nfs/dbraw/zinc/34/36/32/422343632.db2.gz QGZDBNIXYIOQPE-GHMZBOCLSA-N 0 3 321.381 1.565 20 5 DDBDHN Cc1cc(NC(=O)CCNCc2cccc([N+](=O)[O-])c2C)no1 ZINC000591763421 422327645 /nfs/dbraw/zinc/32/76/45/422327645.db2.gz AIFPTHZQKCMSIA-UHFFFAOYSA-N 0 3 318.333 2.318 20 5 DDBDHN COC(=O)c1ccnc(NCCCN2CCCCC2)c1[N+](=O)[O-] ZINC000598589426 422397514 /nfs/dbraw/zinc/39/75/14/422397514.db2.gz MYYCXFMLIXIONJ-UHFFFAOYSA-N 0 3 322.365 2.064 20 5 DDBDHN CC[C@@H](C)N[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccco1 ZINC000578788957 422648867 /nfs/dbraw/zinc/64/88/67/422648867.db2.gz PHGHCSNBFKAFKK-MWLCHTKSSA-N 0 3 321.337 1.770 20 5 DDBDHN COC(=O)c1cc(C)nc(N[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000342365438 271390705 /nfs/dbraw/zinc/39/07/05/271390705.db2.gz VYYKYQXPAUYICL-QWRGUYRKSA-N 0 3 322.365 1.979 20 5 DDBDHN CCOc1ccc(C(=O)NC[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000347745996 272749356 /nfs/dbraw/zinc/74/93/56/272749356.db2.gz LFLAFXOOBXYZDV-GFCCVEGCSA-N 0 3 307.350 1.818 20 5 DDBDHN CN1CCN(C)[C@@H](CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000278849940 277101815 /nfs/dbraw/zinc/10/18/15/277101815.db2.gz VPMDHOSDTOTRMH-DOTOQJQBSA-N 0 3 318.421 1.808 20 5 DDBDHN COCCCN(C)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000152354101 277204950 /nfs/dbraw/zinc/20/49/50/277204950.db2.gz FJNHRGXRVABBLC-UHFFFAOYSA-N 0 3 324.381 1.091 20 5 DDBDHN C[C@H](CN1CCCCC1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180925209 279302974 /nfs/dbraw/zinc/30/29/74/279302974.db2.gz CHTMRVGYBYNSGJ-LLVKDONJSA-N 0 3 306.366 1.781 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@](O)(C(N)=O)C1 ZINC000286103542 281021176 /nfs/dbraw/zinc/02/11/76/281021176.db2.gz IMKWPJREWIEHLL-XHDPSFHLSA-N 0 3 307.350 1.276 20 5 DDBDHN CNCc1ccccc1NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000122580397 281158290 /nfs/dbraw/zinc/15/82/90/281158290.db2.gz LJPBKELDURQVKD-UHFFFAOYSA-N 0 3 317.349 1.848 20 5 DDBDHN Cc1c(NC(=O)NCCOCCN(C)C)cccc1[N+](=O)[O-] ZINC000361434909 299867305 /nfs/dbraw/zinc/86/73/05/299867305.db2.gz HWUACRSJYDQHQF-UHFFFAOYSA-N 0 3 310.354 1.603 20 5 DDBDHN NC(=O)c1ccc(N2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000364064140 300340562 /nfs/dbraw/zinc/34/05/62/300340562.db2.gz AOYAEBARVUSINH-GFCCVEGCSA-N 0 3 304.350 1.368 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000376496365 302085225 /nfs/dbraw/zinc/08/52/25/302085225.db2.gz WPVOEOTUALOYHW-CVEARBPZSA-N 0 3 305.378 1.626 20 5 DDBDHN CN(C)C1(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000397796193 302356200 /nfs/dbraw/zinc/35/62/00/302356200.db2.gz GDPMFSDECLIUMP-UHFFFAOYSA-N 0 3 304.350 1.986 20 5 DDBDHN O=C(CCOC1CNC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000517944239 302820722 /nfs/dbraw/zinc/82/07/22/302820722.db2.gz VNOGJUKAPZEICZ-UHFFFAOYSA-N 0 3 319.361 1.464 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCc1cscn1 ZINC000521611570 302877317 /nfs/dbraw/zinc/87/73/17/302877317.db2.gz FIVNRPLAGHRJBQ-GFCCVEGCSA-N 0 3 323.374 1.623 20 5 DDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)N1CCCC[C@@H]1C ZINC000532134478 303276268 /nfs/dbraw/zinc/27/62/68/303276268.db2.gz ZCMFMQXNBZBRBK-NWDGAFQWSA-N 0 3 306.366 1.983 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2(C3CC3)CC2)cc1 ZINC000541596892 303424559 /nfs/dbraw/zinc/42/45/59/303424559.db2.gz MUYFOXFHVIWSGI-UHFFFAOYSA-N 0 3 310.375 1.901 20 5 DDBDHN COCCCN1CCCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000363786592 307035916 /nfs/dbraw/zinc/03/59/16/307035916.db2.gz VDXWLGKVBADXFF-UHFFFAOYSA-N 0 3 308.382 1.847 20 5 DDBDHN CCn1nccc1CCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367254244 307089871 /nfs/dbraw/zinc/08/98/71/307089871.db2.gz WALWFYGIZUNUBV-CQSZACIVSA-N 0 3 318.381 1.887 20 5 DDBDHN CCc1nn(C)c(N2C[C@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000367750218 307103700 /nfs/dbraw/zinc/10/37/00/307103700.db2.gz ZWOQKBYIZDPVRL-VXGBXAGGSA-N 0 3 307.398 1.954 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](O)C2(CC2)C1 ZINC000368793734 307109824 /nfs/dbraw/zinc/10/98/24/307109824.db2.gz ZJROLWVVGQXEAM-CQSZACIVSA-N 0 3 319.361 1.689 20 5 DDBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000369644806 307125715 /nfs/dbraw/zinc/12/57/15/307125715.db2.gz AKOLYITZDHWXEC-LBPRGKRZSA-N 0 3 323.397 1.013 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)n1 ZINC000373164193 307180552 /nfs/dbraw/zinc/18/05/52/307180552.db2.gz DBUGOYITADFACY-SNVBAGLBSA-N 0 3 307.354 1.075 20 5 DDBDHN CC(C)O[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000570926352 308185827 /nfs/dbraw/zinc/18/58/27/308185827.db2.gz WCOBEQBLAIYVCG-GDBMZVCRSA-N 0 3 324.377 1.834 20 5 DDBDHN NC(=O)C1(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CCOCC1 ZINC000576956795 308352702 /nfs/dbraw/zinc/35/27/02/308352702.db2.gz GQSRTXLGURMEPP-CYBMUJFWSA-N 0 3 319.361 1.454 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H](O)[C@H]1CCOC1)CCC2 ZINC000578721516 308479893 /nfs/dbraw/zinc/47/98/93/308479893.db2.gz QQRDIMCGUFJWGS-MAZHCROVSA-N 0 3 306.362 1.959 20 5 DDBDHN CCN1C[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000583317483 337314655 /nfs/dbraw/zinc/31/46/55/337314655.db2.gz KMTBXWKSYPSXLS-LLVKDONJSA-N 0 3 320.349 1.134 20 5 DDBDHN O=[N+]([O-])c1cccc2ncnc(NC[C@H]3CSCCN3)c21 ZINC000603420239 483933657 /nfs/dbraw/zinc/93/36/57/483933657.db2.gz QZZYZDLNBNWZQZ-VIFPVBQESA-N 0 3 305.363 1.655 20 5 DDBDHN C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000331338433 533922912 /nfs/dbraw/zinc/92/29/12/533922912.db2.gz JMEIXTJWSHQKBG-STQMWFEESA-N 0 3 320.393 1.948 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000330895787 534104328 /nfs/dbraw/zinc/10/43/28/534104328.db2.gz GJWAYHMYYYVHRG-RYUDHWBXSA-N 0 3 307.350 1.573 20 5 DDBDHN O=[N+]([O-])c1cnc(N2CC[C@H](OCCN3CCCCC3)C2)nc1 ZINC000302205790 534888883 /nfs/dbraw/zinc/88/88/83/534888883.db2.gz DFHYPSJUEFRLQV-AWEZNQCLSA-N 0 3 321.381 1.466 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000157291375 527312504 /nfs/dbraw/zinc/31/25/04/527312504.db2.gz RWEKLBAYMSAYKS-SWLSCSKDSA-N 0 3 318.377 1.855 20 5 DDBDHN CC(C)[C@](C)(NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000411726539 527950663 /nfs/dbraw/zinc/95/06/63/527950663.db2.gz LFRCSWLQUBKBRC-HNNXBMFYSA-N 0 3 322.365 1.413 20 5 DDBDHN C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736757884 598506209 /nfs/dbraw/zinc/50/62/09/598506209.db2.gz YSUKUZABAWHMEV-NSHDSACASA-N 0 3 317.353 1.305 20 5 DDBDHN C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736757884 598506211 /nfs/dbraw/zinc/50/62/11/598506211.db2.gz YSUKUZABAWHMEV-NSHDSACASA-N 0 3 317.353 1.305 20 5 DDBDHN O=[N+]([O-])c1ccc(NCC[NH+]2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000738370878 598601229 /nfs/dbraw/zinc/60/12/29/598601229.db2.gz RJUWGXDYNSTYNJ-UHFFFAOYSA-N 0 3 317.353 1.673 20 5 DDBDHN O=[N+]([O-])c1ccc(NCC[NH+]2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000738370878 598601232 /nfs/dbraw/zinc/60/12/32/598601232.db2.gz RJUWGXDYNSTYNJ-UHFFFAOYSA-N 0 3 317.353 1.673 20 5 DDBDHN CN(CCC[NH+](C)C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825860569 608583815 /nfs/dbraw/zinc/58/38/15/608583815.db2.gz RUUURCUGPLFVNS-UHFFFAOYSA-N 0 3 305.342 1.163 20 5 DDBDHN CN(CCC[NH+](C)C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825860569 608583817 /nfs/dbraw/zinc/58/38/17/608583817.db2.gz RUUURCUGPLFVNS-UHFFFAOYSA-N 0 3 305.342 1.163 20 5 DDBDHN CNC(=O)[C@]1(C)CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000797418619 700008564 /nfs/dbraw/zinc/00/85/64/700008564.db2.gz ZNJLTDIICDCOIZ-OAHLLOKOSA-N 0 3 317.349 1.360 20 5 DDBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)C1CCN(C)C1=O ZINC000774107099 697844731 /nfs/dbraw/zinc/84/47/31/697844731.db2.gz ZPIIIYMOPWTHTN-MRVPVSSYSA-N 0 3 312.709 1.940 20 5 DDBDHN CN(CC(F)F)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000749847182 700189518 /nfs/dbraw/zinc/18/95/18/700189518.db2.gz ZDFCBWMLTZCTIU-UHFFFAOYSA-N 0 3 317.340 1.453 20 5 DDBDHN Cc1cc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nc(N)n1 ZINC000784521677 698944481 /nfs/dbraw/zinc/94/44/81/698944481.db2.gz GIYXIQMNQSZQJF-UHFFFAOYSA-N 0 3 303.326 1.313 20 5 DDBDHN Cc1nn(CN2CC[C@@](C)(C(N)=O)C2)c2ccc([N+](=O)[O-])cc12 ZINC000794704606 699825337 /nfs/dbraw/zinc/82/53/37/699825337.db2.gz LIXCPBCAXGZWNK-OAHLLOKOSA-N 0 3 317.349 1.408 20 5 DDBDHN CC(C)(NCCOc1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000796583818 699941058 /nfs/dbraw/zinc/94/10/58/699941058.db2.gz ZUDMDASOJOQSNX-UHFFFAOYSA-N 0 3 321.377 1.964 20 5 DDBDHN O=[N+]([O-])c1cnc(NC2CCN(C[C@@H]3CCCO3)CC2)nc1 ZINC000760478786 700810299 /nfs/dbraw/zinc/81/02/99/700810299.db2.gz VZMJBGILRQQKLH-ZDUSSCGKSA-N 0 3 307.354 1.440 20 5 DDBDHN CN(C)C1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000763043524 700921723 /nfs/dbraw/zinc/92/17/23/700921723.db2.gz DOMZYCIPGZPLNV-UHFFFAOYSA-N 0 3 307.350 1.574 20 5 DDBDHN COc1ccc(NC(=O)CN[C@H](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000763065825 700923611 /nfs/dbraw/zinc/92/36/11/700923611.db2.gz MWURRNNXLDZQOT-GFCCVEGCSA-N 0 3 323.349 1.293 20 5 DDBDHN COC(=O)[C@@]1(C)CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839668353 701773982 /nfs/dbraw/zinc/77/39/82/701773982.db2.gz ZRGXFQMRYHLJCZ-HOCLYGCPSA-N 0 3 322.361 1.903 20 5 DDBDHN CCc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1S(C)(=O)=O ZINC000813103701 702291925 /nfs/dbraw/zinc/29/19/25/702291925.db2.gz FREALNIDKMWZSH-VIFPVBQESA-N 0 3 315.347 1.475 20 5 DDBDHN CCS(=O)(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110498 702295906 /nfs/dbraw/zinc/29/59/06/702295906.db2.gz BZPCWPPLDSHTNH-VIFPVBQESA-N 0 3 301.320 1.302 20 5 DDBDHN CC(COC(=O)[C@@H](c1ccccc1)N1CCSCC1)[N+](=O)[O-] ZINC000813112042 702297224 /nfs/dbraw/zinc/29/72/24/702297224.db2.gz YQWVDFZQDOAURG-TZMCWYRMSA-N 0 3 324.402 1.985 20 5 DDBDHN C[C@H](CO)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000844417154 703028704 /nfs/dbraw/zinc/02/87/04/703028704.db2.gz SGDMYDVTKVHEOD-MLGOLLRUSA-N 0 3 308.378 1.969 20 5 DDBDHN CC(=O)N(C)CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845878040 703211656 /nfs/dbraw/zinc/21/16/56/703211656.db2.gz SSYWRYGSBJKDJA-LKFCYVNXSA-N 0 3 312.297 1.554 20 5 DDBDHN Cc1c(Br)cncc1C(=O)OCC(C)[N+](=O)[O-] ZINC000851035928 703774784 /nfs/dbraw/zinc/77/47/84/703774784.db2.gz CKVGOWZBOGXXRO-LURJTMIESA-N 0 3 303.112 1.975 20 5 DDBDHN N[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[C@H]1F ZINC000851649390 703822620 /nfs/dbraw/zinc/82/26/20/703822620.db2.gz XKVSQPJXQHCPIZ-GHMZBOCLSA-N 0 3 312.257 1.014 20 5 DDBDHN O=C1OCCN1[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000852432207 704044752 /nfs/dbraw/zinc/04/47/52/704044752.db2.gz JANRVEWSTGLAQR-AWEZNQCLSA-N 0 3 305.334 1.664 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C)C(C)(C)CC2)n1 ZINC000871156772 704233844 /nfs/dbraw/zinc/23/38/44/704233844.db2.gz MCNJSBOPFOFMGX-UHFFFAOYSA-N 0 3 309.370 1.368 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000820873753 704340988 /nfs/dbraw/zinc/34/09/88/704340988.db2.gz GUYKLJPLJCJWSS-LLVKDONJSA-N 0 3 321.381 1.042 20 5 DDBDHN CCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000855485764 704487322 /nfs/dbraw/zinc/48/73/22/704487322.db2.gz HDAFOBVEPBZZAU-GJZGRUSLSA-N 0 3 321.377 1.571 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000823100739 705139635 /nfs/dbraw/zinc/13/96/35/705139635.db2.gz IHNCATLRNQNNMQ-TZMCWYRMSA-N 0 3 303.362 1.988 20 5 DDBDHN CN(C)CCN(Cc1ccccn1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823170693 705160889 /nfs/dbraw/zinc/16/08/89/705160889.db2.gz GFTLQEMEAPEMHQ-UHFFFAOYSA-N 0 3 322.409 1.807 20 5 DDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000874822360 705181471 /nfs/dbraw/zinc/18/14/71/705181471.db2.gz ARBBDDZLZGIVMT-KGLIPLIRSA-N 0 3 321.352 1.972 20 5 DDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000874827731 705186163 /nfs/dbraw/zinc/18/61/63/705186163.db2.gz SWYYQWWTDQFOBI-ZNMIVQPWSA-N 0 3 319.361 1.323 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H](n3ccnn3)C2)c1 ZINC000823469099 705249935 /nfs/dbraw/zinc/24/99/35/705249935.db2.gz OQPLJUWJXPHQFP-CABCVRRESA-N 0 3 317.349 1.557 20 5 DDBDHN Nc1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000823985544 705349715 /nfs/dbraw/zinc/34/97/15/705349715.db2.gz AHSWMHUKXRWEOF-GFCCVEGCSA-N 0 3 317.349 1.655 20 5 DDBDHN Cc1c(CN(CCN(C)C)CC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000877628253 706164172 /nfs/dbraw/zinc/16/41/72/706164172.db2.gz FFLIQGOJXKQKAH-UHFFFAOYSA-N 0 3 322.409 1.355 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCCN3CCO)c1 ZINC000897221628 708259162 /nfs/dbraw/zinc/25/91/62/708259162.db2.gz NXPCAXCOMKJUPJ-KBPBESRZSA-N 0 3 305.378 1.939 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000897221372 708259547 /nfs/dbraw/zinc/25/95/47/708259547.db2.gz MBDSGDKSQTZXHM-STQMWFEESA-N 0 3 323.397 1.155 20 5 DDBDHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2cccnc2[N+](=O)[O-])C1 ZINC000886274569 708734378 /nfs/dbraw/zinc/73/43/78/708734378.db2.gz WIQUUUSAVOSUFN-IACUBPJLSA-N 0 3 309.366 1.646 20 5 DDBDHN Cc1nn(CCC(=O)N2CC[C@@H](N3CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000912917802 713123674 /nfs/dbraw/zinc/12/36/74/713123674.db2.gz NYLAJTODHGDTRN-CYBMUJFWSA-N 0 3 321.381 1.105 20 5 DDBDHN COc1c(O)ccc(CN2CCN(C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000893669909 710770706 /nfs/dbraw/zinc/77/07/06/710770706.db2.gz XCLBNAQVRRRBRM-WDEREUQCSA-N 0 3 309.366 1.833 20 5 DDBDHN COc1cc([C@@H](C)NC[C@H]2CN(C)CCN2C)cc([N+](=O)[O-])c1 ZINC000903091851 711030102 /nfs/dbraw/zinc/03/01/02/711030102.db2.gz BMJJVKYGMXKSJU-DOMZBBRYSA-N 0 3 322.409 1.500 20 5 DDBDHN O=[N+]([O-])c1cnn(CCNCc2cccc3c2NCCC3)c1 ZINC000894343939 711077839 /nfs/dbraw/zinc/07/78/39/711077839.db2.gz JFOMJQPBFNNOMC-UHFFFAOYSA-N 0 3 301.350 1.939 20 5 DDBDHN Cc1nc(NC[C@@H]2CCN2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000896521179 711737423 /nfs/dbraw/zinc/73/74/23/711737423.db2.gz HQQRYKYSNLDYGH-ZDUSSCGKSA-N 0 3 306.366 1.963 20 5 DDBDHN Nc1c(F)c(NC[C@@H]2CCN2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000896521169 711737462 /nfs/dbraw/zinc/73/74/62/711737462.db2.gz HKUQGGUCPYRLGD-NSHDSACASA-N 0 3 324.356 1.981 20 5 DDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C1(O)CCCC1 ZINC000930354010 713812511 /nfs/dbraw/zinc/81/25/11/713812511.db2.gz NGXQTUFBEMNYCH-OAHLLOKOSA-N 0 3 308.378 1.735 20 5 DDBDHN CN(CCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)CN1CCCC1 ZINC001105405209 740941910 /nfs/dbraw/zinc/94/19/10/740941910.db2.gz RAWFWZUCJKBJIH-UHFFFAOYSA-N 0 3 320.393 1.585 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@@H]1[C@H]1CCCO1 ZINC001198685214 747576921 /nfs/dbraw/zinc/57/69/21/747576921.db2.gz HZUCEWJFBCCKJK-HUUCEWRRSA-N 0 3 321.377 1.790 20 5 DDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001137250278 749700878 /nfs/dbraw/zinc/70/08/78/749700878.db2.gz STDAGFNGQDTOLK-YPMHNXCESA-N 0 3 318.377 1.876 20 5 DDBDHN Cc1cccc(N2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169006707 762174749 /nfs/dbraw/zinc/17/47/49/762174749.db2.gz IZPVCCHTAXJZHB-CABCVRRESA-N 0 3 304.394 1.957 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1nccs1 ZINC001169041476 762194799 /nfs/dbraw/zinc/19/47/99/762194799.db2.gz LOYQJWNSYWDTPJ-UHFFFAOYSA-N 0 3 320.374 1.961 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H](C)[C@H]1CNCCO1 ZINC001170565694 768164687 /nfs/dbraw/zinc/16/46/87/768164687.db2.gz CXHRTORLTTZMKO-TVQRCGJNSA-N 0 3 309.322 1.170 20 5 DDBDHN Cc1c(N[C@H](C)[C@@H]2CNCCO2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001170565644 768165089 /nfs/dbraw/zinc/16/50/89/768165089.db2.gz CBLFTAPNKHXFAG-SKDRFNHKSA-N 0 3 310.310 1.600 20 5 DDBDHN COC(=O)c1cc(N[C@H](C)[C@@H]2CNCCO2)cc([N+](=O)[O-])c1 ZINC001170568803 768181239 /nfs/dbraw/zinc/18/12/39/768181239.db2.gz HMUPSJRCDAZYLG-RNCFNFMXSA-N 0 3 309.322 1.170 20 5 DDBDHN O=C(CCn1cccc1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001135736872 771680999 /nfs/dbraw/zinc/68/09/99/771680999.db2.gz QMHQJOCLKVAUKC-UHFFFAOYSA-N 0 3 316.361 1.692 20 5 DDBDHN CCN(CC)CC(=O)NCCNc1nc(C)ccc1[N+](=O)[O-] ZINC001093646923 774947578 /nfs/dbraw/zinc/94/75/78/774947578.db2.gz RPAAFLVXORPTSK-UHFFFAOYSA-N 0 3 309.370 1.168 20 5 DDBDHN CN(C)C(=O)CN(C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172915525 776929981 /nfs/dbraw/zinc/92/99/81/776929981.db2.gz NXVUPSKIAFRQSE-CQSZACIVSA-N 0 3 305.378 1.862 20 5 DDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC2(C1)CCN(C)C2=O ZINC001173237732 777076239 /nfs/dbraw/zinc/07/62/39/777076239.db2.gz LOLNFTNIULQSSI-GFCCVEGCSA-N 0 3 303.362 1.690 20 5 DDBDHN CN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)CN1CCCC1 ZINC001101633515 777329782 /nfs/dbraw/zinc/32/97/82/777329782.db2.gz WBXVJUHOURMERM-UHFFFAOYSA-N 0 3 306.366 1.561 20 5 DDBDHN COc1cc(C)nc(N2C[C@H]3CCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC001157266354 863694837 /nfs/dbraw/zinc/69/48/37/863694837.db2.gz RBEHOKKRAQEZAW-NEPJUHHUSA-N 0 3 306.366 1.837 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])c(-n2nccc2CN)cc1OC ZINC001162597541 867669075 /nfs/dbraw/zinc/66/90/75/867669075.db2.gz JGIZNGVNFBXHME-UHFFFAOYSA-N 0 3 306.278 1.034 20 5 DDBDHN O=[N+]([O-])c1c2cccnc2ccc1N1CC(N[C@@H]2CCOC2)C1 ZINC001164234775 869043315 /nfs/dbraw/zinc/04/33/15/869043315.db2.gz VIFODLWXKBEMNB-LLVKDONJSA-N 0 3 314.345 1.710 20 5 DDBDHN O=[N+]([O-])c1ccccc1OCCn1cc(CNCC2CC2)nn1 ZINC001336890493 869202411 /nfs/dbraw/zinc/20/24/11/869202411.db2.gz IFOYXPIHBICDAX-UHFFFAOYSA-N 0 3 317.349 1.765 20 5 DDBDHN CN(C)C1(C)CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])C1 ZINC001165118704 869387889 /nfs/dbraw/zinc/38/78/89/869387889.db2.gz YFHFSZVHJHSABS-UHFFFAOYSA-N 0 3 306.153 1.832 20 5 DDBDHN CN1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001303985496 871171890 /nfs/dbraw/zinc/17/18/90/871171890.db2.gz GWBLCGCKJWKYBM-CQSZACIVSA-N 0 3 321.377 1.820 20 5 DDBDHN CC(C)CC(=O)N1CCCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC001344807982 873127567 /nfs/dbraw/zinc/12/75/67/873127567.db2.gz NAGNWAUFFOMTJS-RYUDHWBXSA-N 0 3 300.355 1.622 20 5 DDBDHN CC[C@H](C)N1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC)CC1 ZINC001356351609 879007553 /nfs/dbraw/zinc/00/75/53/879007553.db2.gz NBPRDZSMBHYZFT-NWDGAFQWSA-N 0 3 310.402 1.556 20 5 DDBDHN CSCC[C@H](N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254587776 896517650 /nfs/dbraw/zinc/51/76/50/896517650.db2.gz ZIKSDKMQLLBNGG-AAEUAGOBSA-N 0 3 309.391 1.259 20 5 DDBDHN CNC(=O)NC1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254611968 896533961 /nfs/dbraw/zinc/53/39/61/896533961.db2.gz UEIFZJUNIPUFNW-OAHLLOKOSA-N 0 3 318.377 1.455 20 5 DDBDHN CSCC[C@@H](N)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC001263124455 900506225 /nfs/dbraw/zinc/50/62/25/900506225.db2.gz LHONZTOYHDLOCJ-LLVKDONJSA-N 0 3 309.391 1.873 20 5 DDBDHN CN(C)CC1(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000281584780 282079619 /nfs/dbraw/zinc/07/96/19/282079619.db2.gz QMNOHNAFBMJWFH-UHFFFAOYSA-N 0 3 313.379 1.357 20 5 DDBDHN C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](C)C1 ZINC000248780739 282108310 /nfs/dbraw/zinc/10/83/10/282108310.db2.gz WKGPRRHWSMEWIA-VXGBXAGGSA-N 0 3 309.370 1.028 20 5 DDBDHN O=[N+]([O-])c1ncn(C[C@@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000278579114 214251864 /nfs/dbraw/zinc/25/18/64/214251864.db2.gz OMOXBIAOEHRDTD-AWEZNQCLSA-N 0 3 317.349 1.477 20 5 DDBDHN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCN2CCC[C@@H]2C1 ZINC000255640725 282271641 /nfs/dbraw/zinc/27/16/41/282271641.db2.gz TYDHVVOLCGIPTR-IDTUSYRASA-N 0 3 301.346 1.915 20 5 DDBDHN CN(C)[C@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181429418 199295640 /nfs/dbraw/zinc/29/56/40/199295640.db2.gz SRQGFWFKLNRBLA-NSHDSACASA-N 0 3 321.333 1.490 20 5 DDBDHN CN1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000097028015 185399035 /nfs/dbraw/zinc/39/90/35/185399035.db2.gz NXAXBCIIFOQDMU-UHFFFAOYSA-N 0 3 306.366 1.561 20 5 DDBDHN CN1C[C@@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425050719 529822074 /nfs/dbraw/zinc/82/20/74/529822074.db2.gz RTUJFLLGIORJIH-DZGCQCFKSA-N 0 3 303.362 1.690 20 5 DDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C1=CCN(C)CC1 ZINC000272753446 210156560 /nfs/dbraw/zinc/15/65/60/210156560.db2.gz FDDNCQXIZFDJQL-JTQLQIEISA-N 0 3 304.350 1.557 20 5 DDBDHN COc1cc(C(=O)NCCN2CC[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000616359384 362656844 /nfs/dbraw/zinc/65/68/44/362656844.db2.gz OZAAEVTVFLLYAU-NSHDSACASA-N 0 3 321.377 1.983 20 5 DDBDHN C[C@H](N[C@H]1CCOC[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000277665210 213675643 /nfs/dbraw/zinc/67/56/43/213675643.db2.gz FUBVSCQLJVXXFG-WOPDTQHZSA-N 0 3 307.350 1.936 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000272616694 210017084 /nfs/dbraw/zinc/01/70/84/210017084.db2.gz LHZIWVGJOXKKOY-GXFFZTMASA-N 0 3 304.350 1.343 20 5 DDBDHN CN1CCC(n2cc(Nc3ccncc3[N+](=O)[O-])cn2)CC1 ZINC000601226102 358455416 /nfs/dbraw/zinc/45/54/16/358455416.db2.gz LALJOWPDAUXJLM-UHFFFAOYSA-N 0 3 302.338 1.619 20 5 DDBDHN C[C@H](CN1C[C@@H](C)C[C@H](C)C1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000138649502 186018363 /nfs/dbraw/zinc/01/83/63/186018363.db2.gz ARJHYFJUWAIJNK-GARJFASQSA-N 0 3 309.370 1.414 20 5 DDBDHN CC(C)C(=O)NC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000265994987 186352459 /nfs/dbraw/zinc/35/24/59/186352459.db2.gz JJCVHGREOGODLL-ZDUSSCGKSA-N 0 3 323.397 1.276 20 5 DDBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000344012463 282759173 /nfs/dbraw/zinc/75/91/73/282759173.db2.gz TVNBXRNCPXCKDZ-CYBMUJFWSA-N 0 3 316.361 1.826 20 5 DDBDHN Cc1cc(S(=O)(=O)[N-]CCC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000601283210 358478088 /nfs/dbraw/zinc/47/80/88/358478088.db2.gz ROCMNPIRBCDBRJ-UHFFFAOYSA-N 0 3 319.358 1.272 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000108298464 353949058 /nfs/dbraw/zinc/94/90/58/353949058.db2.gz MEFMCXJHEGMDSU-ZDUSSCGKSA-N 0 3 321.381 1.090 20 5 DDBDHN COCCN(CCN(C)C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000209850977 354308748 /nfs/dbraw/zinc/30/87/48/354308748.db2.gz BVPBHQRPWSGVOZ-TWGQIWQCSA-N 0 3 321.377 1.645 20 5 DDBDHN CC(C)[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)N1CCN(C)CC1 ZINC000323754319 354541515 /nfs/dbraw/zinc/54/15/15/354541515.db2.gz SPDHTERNMNBJSM-CYBMUJFWSA-N 0 3 322.413 1.256 20 5 DDBDHN CCOc1cc(N2CCO[C@@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000585783576 354841984 /nfs/dbraw/zinc/84/19/84/354841984.db2.gz BDAHJNKVCRXLMR-HUUCEWRRSA-N 0 3 321.377 1.903 20 5 DDBDHN CCN1C[C@@H](C)N(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@H]1C ZINC000588009275 354893533 /nfs/dbraw/zinc/89/35/33/354893533.db2.gz DSMJUAXWGLCCQJ-GHMZBOCLSA-N 0 3 308.382 1.588 20 5 DDBDHN Cc1c(C(=O)N[C@H](CO)CN2CCCC2)cccc1[N+](=O)[O-] ZINC000588869971 354945262 /nfs/dbraw/zinc/94/52/62/354945262.db2.gz RJRIQKSKXASKPN-LBPRGKRZSA-N 0 3 307.350 1.090 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@@H](O)[C@H](CO)C2)cc1 ZINC000591054808 355238713 /nfs/dbraw/zinc/23/87/13/355238713.db2.gz DNSXFDCRCPXOCS-SWLSCSKDSA-N 0 3 310.350 1.039 20 5 DDBDHN Cc1cc(NC[C@H]2CCCNC2=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000591183121 355261992 /nfs/dbraw/zinc/26/19/92/355261992.db2.gz LLBOHTABTWAYJD-LLVKDONJSA-N 0 3 314.345 1.811 20 5 DDBDHN CC1(C)CN[C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000592144797 355510680 /nfs/dbraw/zinc/51/06/80/355510680.db2.gz IXTKPTLXCYDJJQ-GXFFZTMASA-N 0 3 319.365 1.001 20 5 DDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)COC1(C)CNC1 ZINC000592501398 355603467 /nfs/dbraw/zinc/60/34/67/355603467.db2.gz LGGRYKXCECVBGT-UHFFFAOYSA-N 0 3 321.377 1.710 20 5 DDBDHN CCC[C@H](C)[C@@H](CO)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000593050200 355780747 /nfs/dbraw/zinc/78/07/47/355780747.db2.gz CUJBHKRQUCRSGD-GXFFZTMASA-N 0 3 309.366 1.580 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCCN2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC000594026646 356093185 /nfs/dbraw/zinc/09/31/85/356093185.db2.gz GJQHCXZZGDIRQL-LSDHHAIUSA-N 0 3 321.377 1.115 20 5 DDBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@@]1(OCCO)CCOC1 ZINC000594974927 356367074 /nfs/dbraw/zinc/36/70/74/356367074.db2.gz NZRTYSRVEOZURZ-WMHVBEDNSA-N 0 3 322.361 1.366 20 5 DDBDHN CCCN1CC[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000595524096 356533051 /nfs/dbraw/zinc/53/30/51/356533051.db2.gz XMKQZMOYYHEVIY-AWEZNQCLSA-N 0 3 320.393 1.921 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](CO)C2CCC2)c1 ZINC000595614550 356577771 /nfs/dbraw/zinc/57/77/71/356577771.db2.gz DMGUWLJZUIFNLT-ZDUSSCGKSA-N 0 3 308.334 1.632 20 5 DDBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1COCCO1 ZINC000595738562 356629293 /nfs/dbraw/zinc/62/92/93/356629293.db2.gz WFNGPFLJBBPIAX-CQSZACIVSA-N 0 3 323.349 1.271 20 5 DDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](F)[C@H](N)C1 ZINC000595906781 356700985 /nfs/dbraw/zinc/70/09/85/356700985.db2.gz NOHIFHFNPMKXEY-OASPWFOLSA-N 0 3 310.329 1.293 20 5 DDBDHN CN(C)[C@]1(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCSC1 ZINC000596150533 356792029 /nfs/dbraw/zinc/79/20/29/356792029.db2.gz WPQRLWGMGMUCBC-AWEZNQCLSA-N 0 3 324.406 1.543 20 5 DDBDHN CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C)C1 ZINC000596188322 356806135 /nfs/dbraw/zinc/80/61/35/356806135.db2.gz WMQDJBMRRGODBO-OAHLLOKOSA-N 0 3 320.393 1.873 20 5 DDBDHN CCN1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@H](C)C1 ZINC000596269595 356838845 /nfs/dbraw/zinc/83/88/45/356838845.db2.gz UTFJBNONMWGNSU-SNVBAGLBSA-N 0 3 307.354 1.009 20 5 DDBDHN CCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCN(C)C1 ZINC000597947573 357396290 /nfs/dbraw/zinc/39/62/90/357396290.db2.gz ZBUFXGKJFLTBDE-CQSZACIVSA-N 0 3 305.378 1.998 20 5 DDBDHN O=C(N[C@@H]1CCN(C2CCCCC2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000598221929 357498293 /nfs/dbraw/zinc/49/82/93/357498293.db2.gz YRASKIRXHNGQOM-SNVBAGLBSA-N 0 3 307.354 1.455 20 5 DDBDHN CN(C)[C@]1(CNc2ncc(F)cc2[N+](=O)[O-])CCSC1 ZINC000601124001 358411275 /nfs/dbraw/zinc/41/12/75/358411275.db2.gz BFNBMXRZKDWQMO-LBPRGKRZSA-N 0 3 300.359 1.978 20 5 DDBDHN Cc1[nH]ncc1CN(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000602943146 359311573 /nfs/dbraw/zinc/31/15/73/359311573.db2.gz PJJDLULEJWCOBK-UHFFFAOYSA-N 0 3 317.349 1.721 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1N(C)C ZINC000276421896 212868321 /nfs/dbraw/zinc/86/83/21/212868321.db2.gz XLIJFGYGNFCMGS-QWHCGFSZSA-N 0 3 324.406 1.295 20 5 DDBDHN COc1cc(CN[C@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000608782074 360242218 /nfs/dbraw/zinc/24/22/18/360242218.db2.gz SCKUNFSSKSTSMS-LBPRGKRZSA-N 0 3 309.366 1.796 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H]1CCC[C@H]1OC(F)F ZINC000348519904 283540913 /nfs/dbraw/zinc/54/09/13/283540913.db2.gz GPBIHJBUDPGTPY-WDEREUQCSA-N 0 3 317.292 1.506 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCc3ccc(O)cc3CC2)n1 ZINC000610485153 360447383 /nfs/dbraw/zinc/44/73/83/360447383.db2.gz GMSBQKNDXLWBTP-UHFFFAOYSA-N 0 3 302.334 1.598 20 5 DDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000610808398 360542446 /nfs/dbraw/zinc/54/24/46/360542446.db2.gz IJRXARYEYXTDMG-LLVKDONJSA-N 0 3 324.406 1.399 20 5 DDBDHN CCN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611092338 360621951 /nfs/dbraw/zinc/62/19/51/360621951.db2.gz QKKQKMQZEULANC-ZDUSSCGKSA-N 0 3 320.393 1.949 20 5 DDBDHN COc1ccc(C(=O)NCC2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000271975043 209352590 /nfs/dbraw/zinc/35/25/90/209352590.db2.gz NKTFNGHPQYPSFY-UHFFFAOYSA-N 0 3 305.334 1.595 20 5 DDBDHN Cc1ccncc1[C@@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000611939629 360863765 /nfs/dbraw/zinc/86/37/65/360863765.db2.gz SAIPGHGIPLZEJM-YPMHNXCESA-N 0 3 305.338 1.206 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](CCO)C1 ZINC000612070175 360908962 /nfs/dbraw/zinc/90/89/62/360908962.db2.gz DAYJUXDTKYMMGY-UONOGXRCSA-N 0 3 324.377 1.429 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](C(F)F)C1 ZINC000612110345 360923416 /nfs/dbraw/zinc/92/34/16/360923416.db2.gz DLVXILPDBGJFGS-QWRGUYRKSA-N 0 3 316.304 1.922 20 5 DDBDHN Cc1cc([N+](=O)[O-])nn1C[C@H](O)CN(C)Cc1ccccc1 ZINC000612605181 361079232 /nfs/dbraw/zinc/07/92/32/361079232.db2.gz IELZJPXQHKJIQA-CQSZACIVSA-N 0 3 304.350 1.593 20 5 DDBDHN CN1CC=C(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000271886631 209295264 /nfs/dbraw/zinc/29/52/64/209295264.db2.gz CZUUCRAWKLDHCU-UHFFFAOYSA-N 0 3 315.333 1.463 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1NC(C)(C)CCN1CCN(C)CC1 ZINC000613705074 361526925 /nfs/dbraw/zinc/52/69/25/361526925.db2.gz HNDOHZMSXFEUDR-UHFFFAOYSA-N 0 3 310.402 1.156 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC2CC(N3CCCCC3)C2)n1 ZINC000619451619 364018448 /nfs/dbraw/zinc/01/84/48/364018448.db2.gz CWLROVFVEVFCDC-UHFFFAOYSA-N 0 3 307.354 1.075 20 5 DDBDHN C[C@H]1NCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000262741871 203397540 /nfs/dbraw/zinc/39/75/40/203397540.db2.gz DXTLNTSYLSMOFW-BDAKNGLRSA-N 0 3 303.322 1.294 20 5 DDBDHN CCOCCN(CC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000264579252 204009043 /nfs/dbraw/zinc/00/90/43/204009043.db2.gz JFEHPWVBFJPQJM-AWEZNQCLSA-N 0 3 312.366 1.693 20 5 DDBDHN Cc1nn(CCC(=O)N2CCC[C@@H]2CN(C)C)c(C)c1[N+](=O)[O-] ZINC000267526712 206124471 /nfs/dbraw/zinc/12/44/71/206124471.db2.gz OJWZHZZQGAQEKC-CYBMUJFWSA-N 0 3 323.397 1.351 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC1CC(F)(F)C1 ZINC000567043449 304194418 /nfs/dbraw/zinc/19/44/18/304194418.db2.gz XFDIPQICPOPHRQ-JTQLQIEISA-N 0 3 302.277 1.722 20 5 DDBDHN CN(CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1)Cc1ccccc1 ZINC000284822039 218193904 /nfs/dbraw/zinc/19/39/04/218193904.db2.gz AKHNIBKSIWSJOE-UHFFFAOYSA-N 0 3 317.349 1.570 20 5 DDBDHN C[C@@H](O)CN1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000105824043 194137362 /nfs/dbraw/zinc/13/73/62/194137362.db2.gz VOFRVNBOCMZUAN-UONOGXRCSA-N 0 3 307.394 1.524 20 5 DDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](N(C)C)C1 ZINC000109806034 194287638 /nfs/dbraw/zinc/28/76/38/194287638.db2.gz YYQLHLJZNNUQFA-DOMZBBRYSA-N 0 3 320.393 1.948 20 5 DDBDHN COc1cc(C[NH2+]C2CCC(C(N)=O)CC2)c([N+](=O)[O-])cc1[O-] ZINC000340460272 251069116 /nfs/dbraw/zinc/06/91/16/251069116.db2.gz KLHOUEHPRYMVRU-UHFFFAOYSA-N 0 3 323.349 1.443 20 5 DDBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCN(CC2CCC2)CC1 ZINC000412310016 224008807 /nfs/dbraw/zinc/00/88/07/224008807.db2.gz CXSVWXYNVNPLCD-UHFFFAOYSA-N 0 3 307.354 1.266 20 5 DDBDHN Cc1ccc([C@H](C)NC(=O)C[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000269250692 207388342 /nfs/dbraw/zinc/38/83/42/207388342.db2.gz SMCWCTQMLHOZCK-AAEUAGOBSA-N 0 3 307.350 1.459 20 5 DDBDHN Cc1cc(C(=O)Nc2ccn(CCN(C)C)n2)cc([N+](=O)[O-])c1 ZINC000119982577 195074393 /nfs/dbraw/zinc/07/43/93/195074393.db2.gz CBQOZJFTOSUVPP-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000352802442 285311412 /nfs/dbraw/zinc/31/14/12/285311412.db2.gz DVDCZMFZFCWYNN-ABAIWWIYSA-N 0 3 321.352 1.829 20 5 DDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCN(CC)CCO ZINC000289864981 221278077 /nfs/dbraw/zinc/27/80/77/221278077.db2.gz RGCYBEJJEHABRA-UHFFFAOYSA-N 0 3 324.381 1.593 20 5 DDBDHN COC(=O)COc1ccc(CNC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000353760807 285912760 /nfs/dbraw/zinc/91/27/60/285912760.db2.gz RDNDWJMDEMUQAU-GFCCVEGCSA-N 0 3 324.333 1.415 20 5 DDBDHN CCc1nn(C)c(N2CC[C@@H](OCCN(C)C)C2)c1[N+](=O)[O-] ZINC000361042931 299794908 /nfs/dbraw/zinc/79/49/08/299794908.db2.gz CCDHEAOZYROZJO-LLVKDONJSA-N 0 3 311.386 1.048 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(O)CC1 ZINC000026227986 406903017 /nfs/dbraw/zinc/90/30/17/406903017.db2.gz XLCUEADHYMAISU-UHFFFAOYSA-N 0 3 307.350 1.689 20 5 DDBDHN COc1ccc(C(=O)N(C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000075221616 406926648 /nfs/dbraw/zinc/92/66/48/406926648.db2.gz UWAGXHVNOPOJMN-UHFFFAOYSA-N 0 3 307.350 1.770 20 5 DDBDHN CC[C@H](CO)N1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075958215 406946829 /nfs/dbraw/zinc/94/68/29/406946829.db2.gz GPJYUSSPSWXQQN-CQSZACIVSA-N 0 3 323.393 1.362 20 5 DDBDHN COCCN(C)CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084440021 407088901 /nfs/dbraw/zinc/08/89/01/407088901.db2.gz XZPNIKMZQVUAJV-UHFFFAOYSA-N 0 3 301.774 1.916 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@H](C)C1 ZINC000046879086 407064901 /nfs/dbraw/zinc/06/49/01/407064901.db2.gz KVLUADCYLKNJKN-NSHDSACASA-N 0 3 306.366 1.760 20 5 DDBDHN Cc1nn(C)c(C(=O)NCCN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000098104768 407305851 /nfs/dbraw/zinc/30/58/51/407305851.db2.gz XPICEYVYJPLXJZ-JTQLQIEISA-N 0 3 309.370 1.098 20 5 DDBDHN CCCCN(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000112364040 407427643 /nfs/dbraw/zinc/42/76/43/407427643.db2.gz ZXXBAVYUQPRUJL-UHFFFAOYSA-N 0 3 315.395 1.605 20 5 DDBDHN CC[C@H]1CCCCN1CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000113198165 407474995 /nfs/dbraw/zinc/47/49/95/407474995.db2.gz AZKZIYLUTIGOGI-LBPRGKRZSA-N 0 3 309.370 1.172 20 5 DDBDHN C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCOC1 ZINC000266192278 407534483 /nfs/dbraw/zinc/53/44/83/407534483.db2.gz ZBJITSIISFHXKH-GHMZBOCLSA-N 0 3 308.334 1.976 20 5 DDBDHN COc1ccc(OCCNC(C)(C)CC(N)=O)c([N+](=O)[O-])c1 ZINC000186223404 407611003 /nfs/dbraw/zinc/61/10/03/407611003.db2.gz AQPRXNSFGCMWLI-UHFFFAOYSA-N 0 3 311.338 1.226 20 5 DDBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000129614431 407620986 /nfs/dbraw/zinc/62/09/86/407620986.db2.gz MIDXNFGOOPPLQI-SECBINFHSA-N 0 3 315.757 1.693 20 5 DDBDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000116346975 407745825 /nfs/dbraw/zinc/74/58/25/407745825.db2.gz QYMNWAUGCYCVCD-VIFPVBQESA-N 0 3 319.408 1.371 20 5 DDBDHN CC(C)[C@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000236729522 407765628 /nfs/dbraw/zinc/76/56/28/407765628.db2.gz RIORSBAWQBHSOE-AWEZNQCLSA-N 0 3 306.366 1.227 20 5 DDBDHN CCOc1ccc([C@@H](C)NC[C@@H](O)CN(C)C)cc1[N+](=O)[O-] ZINC000153667073 407875200 /nfs/dbraw/zinc/87/52/00/407875200.db2.gz SZUHGZYVQCRGRR-DGCLKSJQSA-N 0 3 311.382 1.567 20 5 DDBDHN O=C(CCNCc1cccc([N+](=O)[O-])c1)NCc1cccnc1 ZINC000238039439 407875771 /nfs/dbraw/zinc/87/57/71/407875771.db2.gz LOGBASSVQKAGEH-UHFFFAOYSA-N 0 3 314.345 1.786 20 5 DDBDHN CCN1CC[C@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000272467542 407934739 /nfs/dbraw/zinc/93/47/39/407934739.db2.gz WIABJMJPDXLUSI-QWRGUYRKSA-N 0 3 309.370 1.131 20 5 DDBDHN C[C@@H](O)CN1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000189553211 408049960 /nfs/dbraw/zinc/04/99/60/408049960.db2.gz CFVYQIUFZHGWTD-UONOGXRCSA-N 0 3 323.393 1.361 20 5 DDBDHN COC[C@@H](N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000136636450 408116340 /nfs/dbraw/zinc/11/63/40/408116340.db2.gz ZDQKPOXMCPOTRL-ZWNOBZJWSA-N 0 3 307.350 1.936 20 5 DDBDHN COC[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000136635623 408116406 /nfs/dbraw/zinc/11/64/06/408116406.db2.gz VXHBWNXNDLSSGK-YGRLFVJLSA-N 0 3 307.350 1.936 20 5 DDBDHN CN(C)[C@@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000170867471 162197152 /nfs/dbraw/zinc/19/71/52/162197152.db2.gz ICOINSSJNGBAEL-SNVBAGLBSA-N 0 3 303.322 1.247 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000171445861 162219357 /nfs/dbraw/zinc/21/93/57/162219357.db2.gz BISQTLQXYWQXFD-GFCCVEGCSA-N 0 3 304.350 1.609 20 5 DDBDHN COc1cc(C(=O)NC[C@H]2CCCN(C)C2)cc([N+](=O)[O-])c1C ZINC000191482983 408432677 /nfs/dbraw/zinc/43/26/77/408432677.db2.gz BEMCXCLUPRJUKH-GFCCVEGCSA-N 0 3 321.377 1.983 20 5 DDBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1n1ccnc1 ZINC000247658917 408500739 /nfs/dbraw/zinc/50/07/39/408500739.db2.gz XHRZIOTYENHYSJ-GXTWGEPZSA-N 0 3 304.354 1.571 20 5 DDBDHN O=C(NCC1CCN(CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000160696463 408515777 /nfs/dbraw/zinc/51/57/77/408515777.db2.gz TXXUQJREOGVZAD-UHFFFAOYSA-N 0 3 307.350 1.029 20 5 DDBDHN CCOC[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248450130 408568968 /nfs/dbraw/zinc/56/89/68/408568968.db2.gz ILUOZQZLESQXEL-ZIAGYGMSSA-N 0 3 324.377 1.693 20 5 DDBDHN C[C@@H](c1ccccn1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270680758 408634337 /nfs/dbraw/zinc/63/43/37/408634337.db2.gz URCSPOHINMCOLU-AAEUAGOBSA-N 0 3 305.338 1.240 20 5 DDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N(C)C ZINC000270754986 408668472 /nfs/dbraw/zinc/66/84/72/408668472.db2.gz BLQLBDIPLIMJJU-JTQLQIEISA-N 0 3 302.334 1.823 20 5 DDBDHN CC[C@@H]1CCCCN1CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270859337 408711390 /nfs/dbraw/zinc/71/13/90/408711390.db2.gz ZOOOJOXTTRFXPD-LLVKDONJSA-N 0 3 309.370 1.323 20 5 DDBDHN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000178207298 408786863 /nfs/dbraw/zinc/78/68/63/408786863.db2.gz FGMBNLOYUKQBJJ-LLVKDONJSA-N 0 3 307.350 1.938 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CCCN(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000265743478 408766732 /nfs/dbraw/zinc/76/67/32/408766732.db2.gz VKEHSNBRJJWIMK-UHFFFAOYSA-N 0 3 321.381 1.717 20 5 DDBDHN Cc1[nH]nc(C(=O)N2CCCN(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000265743478 408766736 /nfs/dbraw/zinc/76/67/36/408766736.db2.gz VKEHSNBRJJWIMK-UHFFFAOYSA-N 0 3 321.381 1.717 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)CCN(C)C)c1 ZINC000281587237 408891940 /nfs/dbraw/zinc/89/19/40/408891940.db2.gz NIBDCEDFNHMAEQ-UHFFFAOYSA-N 0 3 309.366 1.692 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000194707721 163294298 /nfs/dbraw/zinc/29/42/98/163294298.db2.gz SWJZDQUOEWHQFA-SNVBAGLBSA-N 0 3 303.322 1.295 20 5 DDBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@@H](O)Cc1ccccc1 ZINC000293143686 409057638 /nfs/dbraw/zinc/05/76/38/409057638.db2.gz BFNMQSCVKOOZNC-AWEZNQCLSA-N 0 3 304.350 1.327 20 5 DDBDHN CCNC(=O)[C@@H](NCCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC000293238151 409074150 /nfs/dbraw/zinc/07/41/50/409074150.db2.gz LDAMVHDTRFXIFX-AWEZNQCLSA-N 0 3 309.366 1.724 20 5 DDBDHN CCN(CCNc1nc(C(=O)OC)ccc1[N+](=O)[O-])C1CC1 ZINC000287693595 409078012 /nfs/dbraw/zinc/07/80/12/409078012.db2.gz DSSRWQHDYVXWAK-UHFFFAOYSA-N 0 3 308.338 1.673 20 5 DDBDHN CO[C@]1(C)CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000279391112 409204883 /nfs/dbraw/zinc/20/48/83/409204883.db2.gz UHCKQMIWIBKABR-XJKSGUPXSA-N 0 3 324.377 1.835 20 5 DDBDHN O=C(NCCCNCc1cccnc1)c1ccc([N+](=O)[O-])s1 ZINC000314400606 164014875 /nfs/dbraw/zinc/01/48/75/164014875.db2.gz XFIKAIYWSFSZTL-UHFFFAOYSA-N 0 3 320.374 1.961 20 5 DDBDHN C[C@@H](NC(=O)[C@H]1CN2CCN1CCC2)c1ccccc1[N+](=O)[O-] ZINC000342475248 409661733 /nfs/dbraw/zinc/66/17/33/409661733.db2.gz RNUSOYXKEITLHJ-IUODEOHRSA-N 0 3 318.377 1.162 20 5 DDBDHN Cn1nccc1CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331583373 409662507 /nfs/dbraw/zinc/66/25/07/409662507.db2.gz JXSPGIIVHCIEDI-STQMWFEESA-N 0 3 304.354 1.798 20 5 DDBDHN CN1CC[C@@H]2OCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC000296854719 409669588 /nfs/dbraw/zinc/66/95/88/409669588.db2.gz UMCMRHATTRNQIO-KGLIPLIRSA-N 0 3 317.349 1.380 20 5 DDBDHN CC(C)N1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298277175 410161688 /nfs/dbraw/zinc/16/16/88/410161688.db2.gz DHQUYBHDIXYZGU-UHFFFAOYSA-N 0 3 307.354 1.373 20 5 DDBDHN COc1c(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000332671545 410203958 /nfs/dbraw/zinc/20/39/58/410203958.db2.gz ZQYJLPVWNKONAF-NEPJUHHUSA-N 0 3 319.361 1.912 20 5 DDBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347231570 410403749 /nfs/dbraw/zinc/40/37/49/410403749.db2.gz ROYRXYWWWGKZLH-QWRGUYRKSA-N 0 3 309.370 1.321 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@](C)(O)CCN(C)C ZINC000352125471 410499575 /nfs/dbraw/zinc/49/95/75/410499575.db2.gz HTLRVTHECPYFDN-OAHLLOKOSA-N 0 3 309.366 1.336 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](c2cccnc2)C2CC2)c1 ZINC000347358339 410493064 /nfs/dbraw/zinc/49/30/64/410493064.db2.gz JWNLKVMLVREKCJ-HUUCEWRRSA-N 0 3 317.349 1.288 20 5 DDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)CC(C)(CO)CO ZINC000347354425 410493114 /nfs/dbraw/zinc/49/31/14/410493114.db2.gz BEYOAFAPHLXPPP-NTUHNPAUSA-N 0 3 308.378 1.921 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343612228 410570166 /nfs/dbraw/zinc/57/01/66/410570166.db2.gz VNXXGSLPKKRKBI-RISCZKNCSA-N 0 3 306.366 1.877 20 5 DDBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000337239259 410666889 /nfs/dbraw/zinc/66/68/89/410666889.db2.gz DSQMXVFKKPDSGM-UHFFFAOYSA-N 0 3 317.349 1.522 20 5 DDBDHN O=[N+]([O-])c1cccnc1N1CCC[C@@H]1CN1CCC[C@H]1CO ZINC000301530275 410737493 /nfs/dbraw/zinc/73/74/93/410737493.db2.gz KWBFAPNDMVVBMY-OLZOCXBDSA-N 0 3 306.366 1.415 20 5 DDBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000359997185 410989381 /nfs/dbraw/zinc/98/93/81/410989381.db2.gz ZQRDSJHJFYLBGY-NSHDSACASA-N 0 3 315.395 1.603 20 5 DDBDHN COc1cccc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000331430508 411087418 /nfs/dbraw/zinc/08/74/18/411087418.db2.gz CDGQKCSYECETFG-ZWNOBZJWSA-N 0 3 319.361 1.816 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCCN1CCOC ZINC000360965900 418555782 /nfs/dbraw/zinc/55/57/82/418555782.db2.gz KJYPWFKBMXKMAR-LBPRGKRZSA-N 0 3 311.386 1.642 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000375011465 418587868 /nfs/dbraw/zinc/58/78/68/418587868.db2.gz FZGIKRQOISLMBE-KBPBESRZSA-N 0 3 308.382 1.930 20 5 DDBDHN COCCN1CCC[C@H]1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194599753 222179315 /nfs/dbraw/zinc/17/93/15/222179315.db2.gz UUVIWUXSZDYOLS-ZDUSSCGKSA-N 0 3 321.377 1.744 20 5 DDBDHN COC(=O)c1cc(CNCCn2cc([N+](=O)[O-])cn2)n(C)c1C ZINC000291192270 222209767 /nfs/dbraw/zinc/20/97/67/222209767.db2.gz MBUWLOAUWDXEHW-UHFFFAOYSA-N 0 3 321.337 1.015 20 5 DDBDHN COC(=O)CN1CCC(NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000361736186 418704133 /nfs/dbraw/zinc/70/41/33/418704133.db2.gz VDJKHQXNZOYACC-UHFFFAOYSA-N 0 3 321.377 1.630 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCC[C@H](CO)C1 ZINC000371688060 418809270 /nfs/dbraw/zinc/80/92/70/418809270.db2.gz CLWUJUQLBRZLQK-KBPBESRZSA-N 0 3 324.377 1.429 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](O)C[C@@H]1C ZINC000411413826 418901585 /nfs/dbraw/zinc/90/15/85/418901585.db2.gz AONLDTWRLPHYJY-JQWIXIFHSA-N 0 3 323.349 1.387 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000372973148 418918008 /nfs/dbraw/zinc/91/80/08/418918008.db2.gz JCTIBSAUMWBMQP-DOMZBBRYSA-N 0 3 318.377 1.559 20 5 DDBDHN CCOC(=O)CCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373229583 418932636 /nfs/dbraw/zinc/93/26/36/418932636.db2.gz LMIUBBFWPCJMEH-UHFFFAOYSA-N 0 3 310.354 1.772 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411622365 419363965 /nfs/dbraw/zinc/36/39/65/419363965.db2.gz SSPCSOVGJBWALQ-QLFBSQMISA-N 0 3 303.362 1.909 20 5 DDBDHN CCN(Cc1occc1C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000412024954 419569208 /nfs/dbraw/zinc/56/92/08/419569208.db2.gz GUWXLXFFMFKWEU-CYBMUJFWSA-N 0 3 308.338 1.576 20 5 DDBDHN CCOC(=O)COCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429255904 419994453 /nfs/dbraw/zinc/99/44/53/419994453.db2.gz UXHYBXGWJUWGKD-UHFFFAOYSA-N 0 3 310.350 1.999 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000415441762 420068624 /nfs/dbraw/zinc/06/86/24/420068624.db2.gz ASFGGJXRUJVRQC-NSHDSACASA-N 0 3 320.349 1.004 20 5 DDBDHN CC(C)C[C@H](CN)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415428900 420061004 /nfs/dbraw/zinc/06/10/04/420061004.db2.gz PLOQAMXDVOZHPQ-LLVKDONJSA-N 0 3 308.338 1.023 20 5 DDBDHN CNC(=O)[C@]1(C)CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000430280256 420103300 /nfs/dbraw/zinc/10/33/00/420103300.db2.gz VPRBDNVJBDZSLS-OAHLLOKOSA-N 0 3 307.350 1.561 20 5 DDBDHN CN(C)C1(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000416305530 420321737 /nfs/dbraw/zinc/32/17/37/420321737.db2.gz XMJFSPJIRWQDRZ-UHFFFAOYSA-N 0 3 307.350 1.574 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-]CCC[NH2+]C2CC2)c([N+](=O)[O-])c1 ZINC000420448374 420295186 /nfs/dbraw/zinc/29/51/86/420295186.db2.gz LJXDPZRBUXVFMV-UHFFFAOYSA-N 0 3 313.379 1.324 20 5 DDBDHN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000420458845 420300806 /nfs/dbraw/zinc/30/08/06/420300806.db2.gz CSLKUJOHTQMPBQ-SNVBAGLBSA-N 0 3 301.368 1.227 20 5 DDBDHN N[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC000424006483 420303846 /nfs/dbraw/zinc/30/38/46/420303846.db2.gz DYNVOCMWZWDUAJ-WDEREUQCSA-N 0 3 319.296 1.024 20 5 DDBDHN CO[C@@H](CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000425417024 420378311 /nfs/dbraw/zinc/37/83/11/420378311.db2.gz MCMKCXUHJTZZNE-OCCSQVGLSA-N 0 3 306.366 1.901 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453006097 420700381 /nfs/dbraw/zinc/70/03/81/420700381.db2.gz KXDCVNZLQHSTJW-GXFFZTMASA-N 0 3 305.334 1.380 20 5 DDBDHN CC(COC(=O)[C@H](C)NC(=O)/C=C/c1ccccc1)[N+](=O)[O-] ZINC000493267270 420803147 /nfs/dbraw/zinc/80/31/47/420803147.db2.gz ODDUBIHLJPSNNW-OMJLJAAMSA-N 0 3 306.318 1.413 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1ccnn1C ZINC000459719048 420856689 /nfs/dbraw/zinc/85/66/89/420856689.db2.gz RROHWKLXCMXSCC-AAEUAGOBSA-N 0 3 304.350 1.583 20 5 DDBDHN CC(C)[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCN1C ZINC000487956634 421060238 /nfs/dbraw/zinc/06/02/38/421060238.db2.gz VXQSIRKXGIBNQC-AWEZNQCLSA-N 0 3 308.382 1.029 20 5 DDBDHN Cc1nccn1CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488741588 421110100 /nfs/dbraw/zinc/11/01/00/421110100.db2.gz ZOAUVJWPIHJTLA-UHFFFAOYSA-N 0 3 304.354 1.633 20 5 DDBDHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455818372 421065246 /nfs/dbraw/zinc/06/52/46/421065246.db2.gz AXVIVUMZLSOHMT-NSHDSACASA-N 0 3 321.381 1.588 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1NC[C@@H]1CCCN1CCCO)CCN2 ZINC000450591778 421213956 /nfs/dbraw/zinc/21/39/56/421213956.db2.gz GKZLZZNYXYFARS-LBPRGKRZSA-N 0 3 320.393 1.822 20 5 DDBDHN CC1(C)CCCN(CCNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000559840948 421226464 /nfs/dbraw/zinc/22/64/64/421226464.db2.gz DENRHNOBDVWEPG-UHFFFAOYSA-N 0 3 306.366 1.842 20 5 DDBDHN CC(C)N(Cc1ccccn1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000525782934 421301348 /nfs/dbraw/zinc/30/13/48/421301348.db2.gz HBGSRULPXSNCLH-OAHLLOKOSA-N 0 3 319.365 1.458 20 5 DDBDHN C[C@H]1CCN(CCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000524719958 421266174 /nfs/dbraw/zinc/26/61/74/421266174.db2.gz RQFZKPPPLZPECW-LBPRGKRZSA-N 0 3 306.366 1.465 20 5 DDBDHN C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000548058505 421394662 /nfs/dbraw/zinc/39/46/62/421394662.db2.gz RIADYHQBPWQEQU-MNOVXSKESA-N 0 3 321.381 1.422 20 5 DDBDHN COc1cc(C(=O)NCCN2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000562916497 421425728 /nfs/dbraw/zinc/42/57/28/421425728.db2.gz IKTMQUINZQFZBY-LLVKDONJSA-N 0 3 307.350 1.675 20 5 DDBDHN C[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000554856889 421664264 /nfs/dbraw/zinc/66/42/64/421664264.db2.gz DFJDJLAHFOSSTR-LLVKDONJSA-N 0 3 317.349 1.568 20 5 DDBDHN COC(=O)c1cc(C)nc(NC[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000557572543 421777854 /nfs/dbraw/zinc/77/78/54/421777854.db2.gz WHMFRNVJGNVYKA-NSHDSACASA-N 0 3 322.365 1.839 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc2c1CCNC2 ZINC000572594423 421803795 /nfs/dbraw/zinc/80/37/95/421803795.db2.gz NBVWZVUGOZEVAP-UHFFFAOYSA-N 0 3 315.333 1.384 20 5 DDBDHN CC[NH2+]CCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000574916016 422215358 /nfs/dbraw/zinc/21/53/58/422215358.db2.gz UHSVHXPJTBENBL-UHFFFAOYSA-N 0 3 315.395 1.490 20 5 DDBDHN O=C(NCCN1CCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000179554043 263361004 /nfs/dbraw/zinc/36/10/04/263361004.db2.gz ABWGOHQXHNHPNA-UHFFFAOYSA-N 0 3 314.345 1.969 20 5 DDBDHN CCCN(CCN1CCCC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000342272312 271362710 /nfs/dbraw/zinc/36/27/10/271362710.db2.gz ZMBTYANVBBAAFR-UHFFFAOYSA-N 0 3 308.382 1.881 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CCCN1C ZINC000345328976 272220684 /nfs/dbraw/zinc/22/06/84/272220684.db2.gz VEJKXJXFHXAEQJ-VXGBXAGGSA-N 0 3 306.366 1.606 20 5 DDBDHN CC1(C)NC(=O)CC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000338599582 275876549 /nfs/dbraw/zinc/87/65/49/275876549.db2.gz WBLQEOPUKRGTNF-LBPRGKRZSA-N 0 3 317.349 1.618 20 5 DDBDHN CCN1CCCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000276952237 276165315 /nfs/dbraw/zinc/16/53/15/276165315.db2.gz VPWGNPHLIMSLBC-UHFFFAOYSA-N 0 3 308.338 1.308 20 5 DDBDHN CC(C)(C)NC(=O)CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331017166 277167662 /nfs/dbraw/zinc/16/76/62/277167662.db2.gz PUHVYBUSKTZPPN-NWDGAFQWSA-N 0 3 323.397 1.779 20 5 DDBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H](CO)c1ccnn1C ZINC000459694552 277566059 /nfs/dbraw/zinc/56/60/59/277566059.db2.gz ABFONGYPVNWSJM-GXTWGEPZSA-N 0 3 318.377 1.973 20 5 DDBDHN C[C@@H](NCCn1cccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000112548026 278348958 /nfs/dbraw/zinc/34/89/58/278348958.db2.gz YTKNWNHUZPNWMJ-LLVKDONJSA-N 0 3 303.322 1.408 20 5 DDBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H](CO)c1ccnn1C ZINC000459694559 279274997 /nfs/dbraw/zinc/27/49/97/279274997.db2.gz ABFONGYPVNWSJM-TZMCWYRMSA-N 0 3 318.377 1.973 20 5 DDBDHN CN(C)C1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000273382437 289072433 /nfs/dbraw/zinc/07/24/33/289072433.db2.gz ZBCKKLFRMGEMHA-UHFFFAOYSA-N 0 3 318.377 1.581 20 5 DDBDHN CN1CCC[C@H](N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000369359357 301171636 /nfs/dbraw/zinc/17/16/36/301171636.db2.gz QQASQGKDBBISRB-INIZCTEOSA-N 0 3 318.421 1.807 20 5 DDBDHN CNc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000532078038 303274784 /nfs/dbraw/zinc/27/47/84/303274784.db2.gz IJQDDULYVBYBNF-YGRLFVJLSA-N 0 3 318.377 1.849 20 5 DDBDHN [NH3+]C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000089107835 303422400 /nfs/dbraw/zinc/42/24/00/303422400.db2.gz BARMNQQPICTCSS-GHMZBOCLSA-N 0 3 313.379 1.391 20 5 DDBDHN N=C(NO)[C@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000376079642 307237666 /nfs/dbraw/zinc/23/76/66/307237666.db2.gz GGYIKWWGQXMOBS-OLZOCXBDSA-N 0 3 308.338 1.439 20 5 DDBDHN COCCN1CC[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000582795787 337169123 /nfs/dbraw/zinc/16/91/23/337169123.db2.gz AYEUKEDAFNURSV-SWLSCSKDSA-N 0 3 305.378 1.892 20 5 DDBDHN O=[N+]([O-])c1ccccc1CN1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000451300863 534886805 /nfs/dbraw/zinc/88/68/05/534886805.db2.gz MREMEGJMKQVKRJ-SQWLQELKSA-N 0 3 306.362 1.957 20 5 DDBDHN CCN1CCC[C@H]1CN(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330990985 529096230 /nfs/dbraw/zinc/09/62/30/529096230.db2.gz AUQMGFJLBIYUPT-LBPRGKRZSA-N 0 3 323.397 1.469 20 5 DDBDHN CCN1CCN(CCCNc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000296651363 529145243 /nfs/dbraw/zinc/14/52/43/529145243.db2.gz XKKMJGHPTBWHOX-UHFFFAOYSA-N 0 3 308.386 1.133 20 5 DDBDHN Cc1cc(CN2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC000981137827 697015748 /nfs/dbraw/zinc/01/57/48/697015748.db2.gz GWFYQZZXAVJPPP-ZIAGYGMSSA-N 0 3 323.418 1.756 20 5 DDBDHN NC(=O)c1cccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000731678054 699532958 /nfs/dbraw/zinc/53/29/58/699532958.db2.gz FYLIMYYXRRZAOF-HNNXBMFYSA-N 0 3 315.329 1.517 20 5 DDBDHN C[C@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000744798669 699961334 /nfs/dbraw/zinc/96/13/34/699961334.db2.gz MRSVODITQNWBTA-JTQLQIEISA-N 0 3 322.321 1.575 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C)C(C)(C)CC2)n1 ZINC000866112505 706621782 /nfs/dbraw/zinc/62/17/82/706621782.db2.gz DFEMEJPFSACCPE-UHFFFAOYSA-N 0 3 322.365 1.697 20 5 DDBDHN CC[C@H]1CN(C)CCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000840094781 701966234 /nfs/dbraw/zinc/96/62/34/701966234.db2.gz WZONBSPLDVPLMN-ZDUSSCGKSA-N 0 3 303.366 1.928 20 5 DDBDHN CO[C@@H]1CC[C@@H](C)N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000879320874 706649105 /nfs/dbraw/zinc/64/91/05/706649105.db2.gz JSHBEQYEORECAY-MGPQQGTHSA-N 0 3 324.377 1.834 20 5 DDBDHN CCn1cc(-c2nn(C)cc2C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813104476 702292255 /nfs/dbraw/zinc/29/22/55/702292255.db2.gz MZDZNYBUXCLTID-VIFPVBQESA-N 0 3 307.310 1.126 20 5 DDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1Cc1ccc(F)cc1 ZINC000813108897 702295099 /nfs/dbraw/zinc/29/50/99/702295099.db2.gz BUYDTALTKYSLEV-SECBINFHSA-N 0 3 322.296 1.596 20 5 DDBDHN CC(COC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)[N+](=O)[O-] ZINC000813115233 702299537 /nfs/dbraw/zinc/29/95/37/702299537.db2.gz NMPODYOLOGBBSO-SFYZADRCSA-N 0 3 310.331 1.941 20 5 DDBDHN CC(COC(=O)C1CCN(C(=O)c2ccoc2)CC1)[N+](=O)[O-] ZINC000813114408 702299557 /nfs/dbraw/zinc/29/95/57/702299557.db2.gz RAQHUSOMFUCVFA-JTQLQIEISA-N 0 3 310.306 1.340 20 5 DDBDHN CC[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000843090483 702816984 /nfs/dbraw/zinc/81/69/84/702816984.db2.gz XFFRKSHDBIBMQS-SDDRHHMPSA-N 0 3 322.283 1.920 20 5 DDBDHN C[C@H](NC[C@@]12COC(=O)N1CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000866519952 706719774 /nfs/dbraw/zinc/71/97/74/706719774.db2.gz YPZLHTPHLPASKD-XHDPSFHLSA-N 0 3 321.333 1.467 20 5 DDBDHN CCN(CC)C(=O)CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000818975816 704040382 /nfs/dbraw/zinc/04/03/82/704040382.db2.gz YCYZJEAYGCDOKC-UHFFFAOYSA-N 0 3 322.365 1.381 20 5 DDBDHN CCS(=O)(=O)CCCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819367167 704114240 /nfs/dbraw/zinc/11/42/40/704114240.db2.gz DTGNPVDMTJIASB-CYBMUJFWSA-N 0 3 316.379 1.043 20 5 DDBDHN CN(CC1CN(C)C1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000853552565 704266720 /nfs/dbraw/zinc/26/67/20/704266720.db2.gz BATOKRXOBATNAK-UHFFFAOYSA-N 0 3 315.377 1.909 20 5 DDBDHN CN1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3F)[C@@H]2C1 ZINC000854986831 704465220 /nfs/dbraw/zinc/46/52/20/704465220.db2.gz CLDCPUFEOHOUFU-IINYFYTJSA-N 0 3 307.325 1.900 20 5 DDBDHN COc1cccc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874827844 705186016 /nfs/dbraw/zinc/18/60/16/705186016.db2.gz DULZTCRMSKXMSF-CHWSQXEVSA-N 0 3 319.361 1.912 20 5 DDBDHN CNc1nccc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874830011 705188465 /nfs/dbraw/zinc/18/84/65/705188465.db2.gz PRIKSHOALVPETQ-NWDGAFQWSA-N 0 3 319.365 1.340 20 5 DDBDHN CNc1c(C(=O)N2CC[C@H]3[C@H]2CCCN3C)cccc1[N+](=O)[O-] ZINC000874833540 705191358 /nfs/dbraw/zinc/19/13/58/705191358.db2.gz LUCXSJHPRPNANT-QWHCGFSZSA-N 0 3 318.377 1.945 20 5 DDBDHN CNc1c(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)cccc1[N+](=O)[O-] ZINC000874833536 705191489 /nfs/dbraw/zinc/19/14/89/705191489.db2.gz LUCXSJHPRPNANT-CHWSQXEVSA-N 0 3 318.377 1.945 20 5 DDBDHN CCN1CCCC[C@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825830352 705735479 /nfs/dbraw/zinc/73/54/79/705735479.db2.gz KNQHOVDEIUKUMP-GJZGRUSLSA-N 0 3 321.377 1.619 20 5 DDBDHN Cc1ccc(N2CN(CCN(C)C)C(=O)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000826685241 705845355 /nfs/dbraw/zinc/84/53/55/705845355.db2.gz GYIMZYYZMMCXMO-LBPRGKRZSA-N 0 3 306.366 1.459 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000827626284 706039626 /nfs/dbraw/zinc/03/96/26/706039626.db2.gz VHAHOYQPYMMQOU-KKUMJFAQSA-N 0 3 303.362 1.909 20 5 DDBDHN O=[N+]([O-])c1cccc(OCCN2CCC(CO)(CO)CC2)c1 ZINC000879968583 706838226 /nfs/dbraw/zinc/83/82/26/706838226.db2.gz RBTOTTRXGUBCAL-UHFFFAOYSA-N 0 3 310.350 1.040 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](CO)CN1CCCC1 ZINC000879989349 706844707 /nfs/dbraw/zinc/84/47/07/706844707.db2.gz FTRNGJMSKWYZFC-ZDUSSCGKSA-N 0 3 321.377 1.398 20 5 DDBDHN CC(=O)N1C[C@H]2CN(Cc3ccc(C)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000880313053 706938118 /nfs/dbraw/zinc/93/81/18/706938118.db2.gz FGYWAJWAGAXSQH-GASCZTMLSA-N 0 3 303.362 1.813 20 5 DDBDHN Cc1cc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000834310209 707027714 /nfs/dbraw/zinc/02/77/14/707027714.db2.gz GYFZQHORCKKGJX-MFKMUULPSA-N 0 3 304.350 1.262 20 5 DDBDHN Nc1c(F)c(N2CC[C@H]3[C@@H]2CCCN3CCO)ccc1[N+](=O)[O-] ZINC000897221449 708259174 /nfs/dbraw/zinc/25/91/74/708259174.db2.gz NBLFYSJHYRECOP-QWRGUYRKSA-N 0 3 324.356 1.352 20 5 DDBDHN COc1ccc(CN[C@]23CC(=O)N[C@H]2CCCC3)cc1[N+](=O)[O-] ZINC000898466983 708649213 /nfs/dbraw/zinc/64/92/13/708649213.db2.gz HHWVXKLIAWKATE-GOEBONIOSA-N 0 3 319.361 1.894 20 5 DDBDHN CC(COC(=O)c1nn2c(c1Br)CCC2)[N+](=O)[O-] ZINC000893046476 710546682 /nfs/dbraw/zinc/54/66/82/710546682.db2.gz CMCZCJAFOJFAPV-LURJTMIESA-N 0 3 318.127 1.414 20 5 DDBDHN CNC(=O)c1ccc(N2CC[C@@H]3CN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000893941490 710893759 /nfs/dbraw/zinc/89/37/59/710893759.db2.gz SDWBHYGDQJPRLP-RISCZKNCSA-N 0 3 304.350 1.095 20 5 DDBDHN O=[N+]([O-])CCNC[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000905341958 712008186 /nfs/dbraw/zinc/00/81/86/712008186.db2.gz RRYJCNJUGLNVHO-LLVKDONJSA-N 0 3 306.284 1.723 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCO[C@H]3CCOC3)C2)nc1 ZINC000929988910 713729932 /nfs/dbraw/zinc/72/99/32/713729932.db2.gz OOYWMASFHLUNNZ-JSGCOSHPSA-N 0 3 322.365 1.282 20 5 DDBDHN C[C@@H]1COC[C@@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000932493550 714345652 /nfs/dbraw/zinc/34/56/52/714345652.db2.gz HUTLBEAXRAVMAU-KCJUWKMLSA-N 0 3 313.741 1.811 20 5 DDBDHN C/C(=C/C(=O)NC[C@@H]1C[C@H](O)CN1C)c1ccc([N+](=O)[O-])cc1 ZINC000924982050 714714672 /nfs/dbraw/zinc/71/46/72/714714672.db2.gz OPLBNAWKSQZRGY-GYZFRLQBSA-N 0 3 319.361 1.179 20 5 DDBDHN CCN(CCO)CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935429752 715053246 /nfs/dbraw/zinc/05/32/46/715053246.db2.gz FJEUQCISPZCDKZ-HUUCEWRRSA-N 0 3 321.377 1.129 20 5 DDBDHN O=C(Cc1c[nH]cn1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001167353550 733278932 /nfs/dbraw/zinc/27/89/32/733278932.db2.gz ZXNMJUPMGGEOCN-UHFFFAOYSA-N 0 3 323.378 1.218 20 5 DDBDHN COc1cc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)c([N+](=O)[O-])cc1[O-] ZINC001200691771 748321170 /nfs/dbraw/zinc/32/11/70/748321170.db2.gz HEWPVZFYRDEGRN-PWSUYJOCSA-N 0 3 310.350 1.950 20 5 DDBDHN O=C(CCc1c[nH]cn1)NCCNCc1ccccc1[N+](=O)[O-] ZINC001128992212 750750063 /nfs/dbraw/zinc/75/00/63/750750063.db2.gz URGYFVLDTKCMOH-UHFFFAOYSA-N 0 3 317.349 1.157 20 5 DDBDHN O=C(CCc1cnc[nH]1)NCCNCc1ccccc1[N+](=O)[O-] ZINC001128992212 750750065 /nfs/dbraw/zinc/75/00/65/750750065.db2.gz URGYFVLDTKCMOH-UHFFFAOYSA-N 0 3 317.349 1.157 20 5 DDBDHN CCC(=O)N1CCC(CNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000997445492 750929894 /nfs/dbraw/zinc/92/98/94/750929894.db2.gz GHZOETBCHDQVJV-UHFFFAOYSA-N 0 3 309.370 1.067 20 5 DDBDHN Nc1cccnc1N1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036504 762191510 /nfs/dbraw/zinc/19/15/10/762191510.db2.gz GCOTTWWMVMNUMT-STQMWFEESA-N 0 3 305.382 1.231 20 5 DDBDHN COC(=O)c1cc(C)nc(-n2ccc([C@@H](C)N)n2)c1[N+](=O)[O-] ZINC001169230728 762291943 /nfs/dbraw/zinc/29/19/43/762291943.db2.gz BBOBPQXXXOJWBJ-MRVPVSSYSA-N 0 3 305.294 1.290 20 5 DDBDHN Cc1nc(NCCNC(=O)CN(C)C(C)C)ccc1[N+](=O)[O-] ZINC001093674109 774989473 /nfs/dbraw/zinc/98/94/73/774989473.db2.gz PCWPPTKOQOPXMJ-UHFFFAOYSA-N 0 3 309.370 1.167 20 5 DDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](O)[C@@](C)(CO)C1 ZINC001173222733 777055811 /nfs/dbraw/zinc/05/58/11/777055811.db2.gz UZRGCJRGYOHNDL-UHOFOFEASA-N 0 3 308.378 1.591 20 5 DDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(CC(C)(C)O)CC1 ZINC001173236882 777074871 /nfs/dbraw/zinc/07/48/71/777074871.db2.gz FUFLNXKMVZZCPE-AWEZNQCLSA-N 0 3 321.421 1.914 20 5 DDBDHN CC(C)N(C)CC(=O)N(C)CCNc1ccc([N+](=O)[O-])cn1 ZINC001101657646 777352396 /nfs/dbraw/zinc/35/23/96/777352396.db2.gz IXAAOXAVAAMJCZ-UHFFFAOYSA-N 0 3 309.370 1.200 20 5 DDBDHN CCCN(C)CC(=O)N(C)CCNc1nccc(C)c1[N+](=O)[O-] ZINC001101705434 777415156 /nfs/dbraw/zinc/41/51/56/777415156.db2.gz GNHJOBNPKHEVJU-UHFFFAOYSA-N 0 3 323.397 1.510 20 5 DDBDHN CN(C)C1(C(=O)N(C)CCNc2ncccc2[N+](=O)[O-])CCC1 ZINC001101811201 777551200 /nfs/dbraw/zinc/55/12/00/777551200.db2.gz OOBWIFBNFLYOEF-UHFFFAOYSA-N 0 3 321.381 1.344 20 5 DDBDHN CN1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1(C)C ZINC001119330575 781406611 /nfs/dbraw/zinc/40/66/11/781406611.db2.gz IEOBABOLHWDNPI-UHFFFAOYSA-N 0 3 320.349 1.486 20 5 DDBDHN CCCN1CC[C@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC001328498509 863009007 /nfs/dbraw/zinc/00/90/07/863009007.db2.gz CFNDFCMMUODFCL-NSHDSACASA-N 0 3 306.366 1.700 20 5 DDBDHN CCCCOCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125077811 859890035 /nfs/dbraw/zinc/89/00/35/859890035.db2.gz GQFCOKRIQSJOBU-UHFFFAOYSA-N 0 3 309.366 1.617 20 5 DDBDHN CN1CCN(C(=N)Nc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001157914634 864254282 /nfs/dbraw/zinc/25/42/82/864254282.db2.gz CTVXDKXTOFCSRZ-UHFFFAOYSA-N 0 3 314.349 1.737 20 5 DDBDHN O=[N+]([O-])c1cc(N2CC[C@@H]3NCCO[C@H]3C2)nc2[nH]ccc21 ZINC001165270611 869482138 /nfs/dbraw/zinc/48/21/38/869482138.db2.gz HMOGRBVOOKEHPX-JQWIXIFHSA-N 0 3 303.322 1.038 20 5 DDBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001341368686 871624238 /nfs/dbraw/zinc/62/42/38/871624238.db2.gz OWVBIBAPFZJSAX-VIFPVBQESA-N 0 3 323.374 1.177 20 5 DDBDHN Cc1ccc2c(c1)[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CO2 ZINC000563529884 303959061 /nfs/dbraw/zinc/95/90/61/303959061.db2.gz KBGHUANIKFHOPT-OCCSQVGLSA-N 0 3 318.333 1.184 20 5 DDBDHN CN(C)C[C@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000255379647 282252437 /nfs/dbraw/zinc/25/24/37/282252437.db2.gz YTVLYEUKMLPIJE-DANTVBBOSA-N 0 3 319.361 1.397 20 5 DDBDHN Cc1nn(C)c(N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488736618 282270894 /nfs/dbraw/zinc/27/08/94/282270894.db2.gz VIZKZPOXXSEUNP-DMDPSCGWSA-N 0 3 307.398 1.803 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000299295498 530057137 /nfs/dbraw/zinc/05/71/37/530057137.db2.gz CREWJXFWCYRLIL-CQSZACIVSA-N 0 3 316.361 1.760 20 5 DDBDHN C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1=CCN(C)CC1 ZINC000330762361 232050363 /nfs/dbraw/zinc/05/03/63/232050363.db2.gz HTBRHCQMVTVMAN-NSHDSACASA-N 0 3 321.381 1.293 20 5 DDBDHN Cc1ccc(CN(CCO)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000181979367 199370666 /nfs/dbraw/zinc/37/06/66/199370666.db2.gz JWIUVPUNIDBEKR-UHFFFAOYSA-N 0 3 304.350 1.594 20 5 DDBDHN C[C@H](O)C[C@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000279671849 215050567 /nfs/dbraw/zinc/05/05/67/215050567.db2.gz DLYXIGJOPYGWIV-QWHCGFSZSA-N 0 3 309.366 1.382 20 5 DDBDHN CC1(C)CCN(CCn2cc([N+](=O)[O-])ccc2=O)CCS1 ZINC000279679085 215056458 /nfs/dbraw/zinc/05/64/58/215056458.db2.gz GIRHAZQZTXQCLO-UHFFFAOYSA-N 0 3 311.407 1.974 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000286906462 219220340 /nfs/dbraw/zinc/22/03/40/219220340.db2.gz HHZAACJLHGCKAR-NSHDSACASA-N 0 3 304.350 1.616 20 5 DDBDHN CC[C@@]1(NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000616865551 362851664 /nfs/dbraw/zinc/85/16/64/362851664.db2.gz VHXURQHIZKKVEF-OAHLLOKOSA-N 0 3 307.350 1.716 20 5 DDBDHN CN(C)C[C@]1(O)CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000601224893 358454749 /nfs/dbraw/zinc/45/47/49/358454749.db2.gz IWUGVIHKUPYCLX-OAHLLOKOSA-N 0 3 322.365 1.515 20 5 DDBDHN CC(C)CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159688871 186135635 /nfs/dbraw/zinc/13/56/35/186135635.db2.gz LLEKRYDAEXZZKS-UHFFFAOYSA-N 0 3 308.382 1.030 20 5 DDBDHN C[C@H]1NCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000262880909 186318503 /nfs/dbraw/zinc/31/85/03/186318503.db2.gz VXKFNTHHPTUOST-NXEZZACHSA-N 0 3 311.769 2.000 20 5 DDBDHN COc1ccc(C(=O)NC[C@@H](C)N2CCCC2)cc1[N+](=O)[O-] ZINC000046408602 352451489 /nfs/dbraw/zinc/45/14/89/352451489.db2.gz LGTDVIHROVXEGB-LLVKDONJSA-N 0 3 307.350 1.818 20 5 DDBDHN Cc1cccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000064333969 352933556 /nfs/dbraw/zinc/93/35/56/352933556.db2.gz LZKAHZGMXOUWRT-STQMWFEESA-N 0 3 319.361 1.496 20 5 DDBDHN CC(=O)NC[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000067413202 353047842 /nfs/dbraw/zinc/04/78/42/353047842.db2.gz GDYCPJAYVACURP-CQSZACIVSA-N 0 3 321.377 1.822 20 5 DDBDHN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCN2CCC1CC2 ZINC000492004794 234357486 /nfs/dbraw/zinc/35/74/86/234357486.db2.gz CFRZACRTWDKNOA-PLNGDYQASA-N 0 3 301.346 1.915 20 5 DDBDHN O=[N+]([O-])c1ccc(OC2CCN(CCOCCO)CC2)cc1 ZINC000174243547 198309997 /nfs/dbraw/zinc/30/99/97/198309997.db2.gz ZZFUAQJKECJURS-UHFFFAOYSA-N 0 3 310.350 1.447 20 5 DDBDHN COc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)ccc1[N+](=O)[O-] ZINC000174641527 198363385 /nfs/dbraw/zinc/36/33/85/198363385.db2.gz WALCYYJUIWRPAJ-QWHCGFSZSA-N 0 3 319.361 1.912 20 5 DDBDHN Cc1cnc(NC2CCN([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000089602810 353776638 /nfs/dbraw/zinc/77/66/38/353776638.db2.gz GDTMEEMXTOWAKG-CYBMUJFWSA-N 0 3 306.366 1.963 20 5 DDBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000345840115 283002879 /nfs/dbraw/zinc/00/28/79/283002879.db2.gz HBEDFGBYRASSCU-NEPJUHHUSA-N 0 3 307.350 1.608 20 5 DDBDHN CCOC(=O)CC[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000161896808 354244145 /nfs/dbraw/zinc/24/41/45/354244145.db2.gz OOZDCDBJHSJWGU-CYBMUJFWSA-N 0 3 324.381 1.847 20 5 DDBDHN CCN(C)C[C@H](O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000320555842 354528111 /nfs/dbraw/zinc/52/81/11/354528111.db2.gz KMCGRARFCWNMID-NSHDSACASA-N 0 3 305.334 1.834 20 5 DDBDHN C[C@@H](NC(=O)NC[C@@]1(O)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358668486 299218400 /nfs/dbraw/zinc/21/84/00/299218400.db2.gz XNRIFYZIDPGCGH-ABAIWWIYSA-N 0 3 322.365 1.022 20 5 DDBDHN NC[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F ZINC000401759773 354667057 /nfs/dbraw/zinc/66/70/57/354667057.db2.gz UIEKVFCEJXZCDZ-SSDOTTSWSA-N 0 3 311.647 1.868 20 5 DDBDHN COc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc([N+](=O)[O-])c1C ZINC000590047190 355044967 /nfs/dbraw/zinc/04/49/67/355044967.db2.gz XDJJTURWRTUFNN-RISCZKNCSA-N 0 3 319.361 1.688 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000590446887 355099648 /nfs/dbraw/zinc/09/96/48/355099648.db2.gz WVSFCDSZUZUFFU-JSGCOSHPSA-N 0 3 319.361 1.526 20 5 DDBDHN COC(=O)[C@@H]1CNCCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000592435278 355583625 /nfs/dbraw/zinc/58/36/25/355583625.db2.gz SFIHUCMJWXLWNN-QZDDGCDVSA-N 0 3 319.361 1.445 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CCN1CCCCC1 ZINC000593882400 356039981 /nfs/dbraw/zinc/03/99/81/356039981.db2.gz FSUDEUCQHDHMSX-UHFFFAOYSA-N 0 3 323.397 1.434 20 5 DDBDHN CCN1CC[C@H]2OCCN(Cc3onc(C)c3[N+](=O)[O-])[C@H]2C1 ZINC000595506116 356522535 /nfs/dbraw/zinc/52/25/35/356522535.db2.gz ZQAQHOLAEDZVMF-NWDGAFQWSA-N 0 3 310.354 1.186 20 5 DDBDHN COCCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596111001 356776122 /nfs/dbraw/zinc/77/61/22/356776122.db2.gz UBVUAQOWVRWUOR-LBPRGKRZSA-N 0 3 322.365 1.216 20 5 DDBDHN CC[NH+](CC)CCO[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596153353 356793371 /nfs/dbraw/zinc/79/33/71/356793371.db2.gz ULPSNRIERMYEIY-LBPRGKRZSA-N 0 3 324.381 1.633 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)CC1CN(C)C1 ZINC000596452084 356883696 /nfs/dbraw/zinc/88/36/96/356883696.db2.gz BOBVLNNYXNANMN-UHFFFAOYSA-N 0 3 307.350 1.688 20 5 DDBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)CN(C)C ZINC000597653277 357270026 /nfs/dbraw/zinc/27/00/26/357270026.db2.gz IQQHRJJOVGIIGO-KGLIPLIRSA-N 0 3 323.393 1.202 20 5 DDBDHN CCCN1CC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000598343108 357545511 /nfs/dbraw/zinc/54/55/11/357545511.db2.gz SJZPIJJXQCXPCL-ZDUSSCGKSA-N 0 3 321.377 1.964 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000598342781 357545819 /nfs/dbraw/zinc/54/58/19/357545819.db2.gz QDEVTLBGHGNAMX-LLVKDONJSA-N 0 3 321.333 1.538 20 5 DDBDHN Cc1c(CC(=O)N2CCN[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000598576663 357638868 /nfs/dbraw/zinc/63/88/68/357638868.db2.gz YMCVSVYGWJRARO-AWEZNQCLSA-N 0 3 305.378 1.902 20 5 DDBDHN N[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[C@H]1F ZINC000598914037 357756988 /nfs/dbraw/zinc/75/69/88/357756988.db2.gz WDKFLWIZAMQCEP-PSASIEDQSA-N 0 3 300.265 1.637 20 5 DDBDHN CN1CCN(CC2CN(c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000599105971 357817549 /nfs/dbraw/zinc/81/75/49/357817549.db2.gz IGRMNFZDURRQNA-UHFFFAOYSA-N 0 3 308.357 1.418 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[NH2+][C@H]2C)c1C ZINC000599111577 357818934 /nfs/dbraw/zinc/81/89/34/357818934.db2.gz KNYKWUPXDRNFCD-WDEREUQCSA-N 0 3 313.379 1.240 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)nccc2NCCN1CC[C@@H](O)C1 ZINC000599175509 357840156 /nfs/dbraw/zinc/84/01/56/357840156.db2.gz DKHCPAFPIRQXNH-GFCCVEGCSA-N 0 3 302.334 1.622 20 5 DDBDHN O=[N+]([O-])c1cccc2c(NCCN3CC[C@H](O)C3)ccnc21 ZINC000599198977 357847364 /nfs/dbraw/zinc/84/73/64/357847364.db2.gz DJRZHSQNWOPLFW-NSHDSACASA-N 0 3 302.334 1.622 20 5 DDBDHN Cc1cc(NCCN2CC[C@H](O)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000599198924 357848038 /nfs/dbraw/zinc/84/80/38/357848038.db2.gz BFYMKNIGCUSCTC-LBPRGKRZSA-N 0 3 316.361 1.930 20 5 DDBDHN O=[N+]([O-])c1ccccc1CN1CCC(N2CCOCC2)CC1 ZINC000599471915 357948681 /nfs/dbraw/zinc/94/86/81/357948681.db2.gz HAXJJHGLIICWBL-UHFFFAOYSA-N 0 3 305.378 1.891 20 5 DDBDHN CCOc1cc(CN[C@H]2CCC[C@@H]2C(=O)NC)ccc1[N+](=O)[O-] ZINC000348146817 283390105 /nfs/dbraw/zinc/39/01/05/283390105.db2.gz FTSYPIIMVFWLNG-STQMWFEESA-N 0 3 321.377 1.998 20 5 DDBDHN COC[C@]1(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CCCCN1 ZINC000602443410 358980647 /nfs/dbraw/zinc/98/06/47/358980647.db2.gz UWRXEKYCHKYUKD-WBMJQRKESA-N 0 3 321.377 1.931 20 5 DDBDHN COC[C@@]1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCCCN1 ZINC000602457697 358990902 /nfs/dbraw/zinc/99/09/02/358990902.db2.gz IWBMAJJQGIRQKM-MRXNPFEDSA-N 0 3 321.377 1.412 20 5 DDBDHN CO[C@H]1COCC[C@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602677329 359120259 /nfs/dbraw/zinc/12/02/59/359120259.db2.gz XOYCOMXDIZTKPU-HZMBPMFUSA-N 0 3 321.333 1.877 20 5 DDBDHN CN(CCCN(C)Cc1cn(C)nc1[N+](=O)[O-])Cc1ccco1 ZINC000602652026 359101276 /nfs/dbraw/zinc/10/12/76/359101276.db2.gz CUWLSHKIJNDBQN-UHFFFAOYSA-N 0 3 321.381 1.875 20 5 DDBDHN CCC(C)(C)N1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602874975 359258784 /nfs/dbraw/zinc/25/87/84/359258784.db2.gz WVBVERUXVNAZHT-UHFFFAOYSA-N 0 3 309.414 1.906 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000602795317 359198200 /nfs/dbraw/zinc/19/82/00/359198200.db2.gz HUHOLHMXOWNHJD-OCCSQVGLSA-N 0 3 318.381 1.879 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C(=O)N1CCCC1)C(C)C ZINC000602798478 359198746 /nfs/dbraw/zinc/19/87/46/359198746.db2.gz CNUWDWTXMMCLLP-AWEZNQCLSA-N 0 3 323.397 1.336 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC([C@H]2CCOC2)CC1 ZINC000602805266 359202814 /nfs/dbraw/zinc/20/28/14/359202814.db2.gz NTWKBAHDJHMCEA-AWEZNQCLSA-N 0 3 308.382 1.848 20 5 DDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000602831704 359223810 /nfs/dbraw/zinc/22/38/10/359223810.db2.gz PWHXIDNHNMMMKF-RDJZCZTQSA-N 0 3 322.405 1.981 20 5 DDBDHN O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CSCCN2)s1 ZINC000603418621 359628829 /nfs/dbraw/zinc/62/88/29/359628829.db2.gz HTQRIRCGOAUSAM-SSDOTTSWSA-N 0 3 311.392 1.716 20 5 DDBDHN CC[C@@]1(CO)CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000187580127 200130094 /nfs/dbraw/zinc/13/00/94/200130094.db2.gz NDYDAEHMQLQPRU-OAHLLOKOSA-N 0 3 309.366 1.241 20 5 DDBDHN CCNC(=O)CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000604477381 359755112 /nfs/dbraw/zinc/75/51/12/359755112.db2.gz JPSAXNKYJHWSRN-SNVBAGLBSA-N 0 3 308.338 1.038 20 5 DDBDHN C[C@@H]1CC[C@@](CO)(N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000187982149 200185873 /nfs/dbraw/zinc/18/58/73/200185873.db2.gz VYNUQHZYQBGADJ-BDJLRTHQSA-N 0 3 321.377 1.677 20 5 DDBDHN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCNCC1 ZINC000237873349 202376296 /nfs/dbraw/zinc/37/62/96/202376296.db2.gz MHYPBDCPGJPLOL-UHFFFAOYSA-N 0 3 318.377 1.631 20 5 DDBDHN O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCN(CC2CC2)C1 ZINC000609383578 360303349 /nfs/dbraw/zinc/30/33/49/360303349.db2.gz VLZPNYQKZXMQQG-ZDUSSCGKSA-N 0 3 319.361 1.574 20 5 DDBDHN CCN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000609283849 360287113 /nfs/dbraw/zinc/28/71/13/360287113.db2.gz FREMKTLZMUTXFV-HIFRSBDPSA-N 0 3 323.393 1.361 20 5 DDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609448293 360307811 /nfs/dbraw/zinc/30/78/11/360307811.db2.gz HZTXZRVNUVZTTQ-ZDUSSCGKSA-N 0 3 307.325 1.948 20 5 DDBDHN CN1CCC[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000611148672 360637861 /nfs/dbraw/zinc/63/78/61/360637861.db2.gz RQSCMGDPGSUGAF-LBPRGKRZSA-N 0 3 316.361 1.829 20 5 DDBDHN CN(C[C@H](O)C1CC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612086861 360913706 /nfs/dbraw/zinc/91/37/06/360913706.db2.gz YZYIHLRJYCOCLA-JSGCOSHPSA-N 0 3 310.350 1.037 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000618923644 363803758 /nfs/dbraw/zinc/80/37/58/363803758.db2.gz JLSXDGQBDUGBSD-MRXNPFEDSA-N 0 3 321.377 1.432 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc2c(c1)CNC2 ZINC000566102905 304117378 /nfs/dbraw/zinc/11/73/78/304117378.db2.gz CFJGDNBWFPRTIH-UHFFFAOYSA-N 0 3 301.306 1.342 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000566204798 304128840 /nfs/dbraw/zinc/12/88/40/304128840.db2.gz GHNYOLJMZSDZEG-UHFFFAOYSA-N 0 3 317.305 1.063 20 5 DDBDHN CCN(CC)C(=O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000350685584 284243291 /nfs/dbraw/zinc/24/32/91/284243291.db2.gz QTIYTLRWJYOFCZ-UHFFFAOYSA-N 0 3 323.397 1.372 20 5 DDBDHN CN(C)C[C@H]1CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000267443853 206071109 /nfs/dbraw/zinc/07/11/09/206071109.db2.gz CPYFYMAOFCYYFJ-LLVKDONJSA-N 0 3 317.349 1.637 20 5 DDBDHN O=[N+]([O-])c1cc(CN[C@H](CCO)C2CCOCC2)cs1 ZINC000359581615 299490302 /nfs/dbraw/zinc/49/03/02/299490302.db2.gz NNJVXUCVQVWOEU-GFCCVEGCSA-N 0 3 300.380 1.924 20 5 DDBDHN CN1C[C@@H](N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000268863044 207031449 /nfs/dbraw/zinc/03/14/49/207031449.db2.gz RVQXHFSIBMMEQM-UONOGXRCSA-N 0 3 303.362 1.736 20 5 DDBDHN COCCN(C)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000061380226 184170257 /nfs/dbraw/zinc/17/02/57/184170257.db2.gz JJGAJLQOBTYQJC-UHFFFAOYSA-N 0 3 315.757 1.556 20 5 DDBDHN O=C(C[C@@H]1CNCCO1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000269210132 207328767 /nfs/dbraw/zinc/32/87/67/207328767.db2.gz BPGOTPWFLTYORY-OAHLLOKOSA-N 0 3 321.377 1.412 20 5 DDBDHN CN(C)CCN1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413106626 224136309 /nfs/dbraw/zinc/13/63/09/224136309.db2.gz YXZWRIFKKSMMBD-UHFFFAOYSA-N 0 3 311.361 1.567 20 5 DDBDHN COc1ccc(OCCN2CCC[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC000567971134 304256931 /nfs/dbraw/zinc/25/69/31/304256931.db2.gz URLGPLUNBSFDTR-HNNXBMFYSA-N 0 3 310.350 1.829 20 5 DDBDHN COC(=O)COc1ccc(CNC[C@@H](C)OC)cc1[N+](=O)[O-] ZINC000353194456 285587735 /nfs/dbraw/zinc/58/77/35/285587735.db2.gz SBURPCXPBJBRSD-SNVBAGLBSA-N 0 3 312.322 1.271 20 5 DDBDHN C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@H](C)CN1 ZINC000568858486 304316361 /nfs/dbraw/zinc/31/63/61/304316361.db2.gz DJLTYQUGROUXJA-RKDXNWHRSA-N 0 3 303.322 1.430 20 5 DDBDHN CCCN(CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)NC ZINC000056508282 407209989 /nfs/dbraw/zinc/20/99/89/407209989.db2.gz LDYZXHHYGJOEAE-UHFFFAOYSA-N 0 3 309.366 1.822 20 5 DDBDHN COc1cc([N+](=O)[O-])c(C(=O)NCCN(C)C)cc1SC ZINC000103205568 407333970 /nfs/dbraw/zinc/33/39/70/407333970.db2.gz BWJMPBDGTYZFBE-UHFFFAOYSA-N 0 3 313.379 1.617 20 5 DDBDHN C[C@H]1C[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000124497547 407359913 /nfs/dbraw/zinc/35/99/13/407359913.db2.gz ANOYWGXQRWWUGK-GXTWGEPZSA-N 0 3 321.377 1.915 20 5 DDBDHN C[C@H]1C[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000124498006 407360173 /nfs/dbraw/zinc/36/01/73/407360173.db2.gz ANOYWGXQRWWUGK-JSGCOSHPSA-N 0 3 321.377 1.915 20 5 DDBDHN COC[C@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000265762640 407442501 /nfs/dbraw/zinc/44/25/01/407442501.db2.gz HISXIZFDRNSJKR-GXTWGEPZSA-N 0 3 310.350 1.303 20 5 DDBDHN COc1cccc(C(=O)NC2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000195361158 407452146 /nfs/dbraw/zinc/45/21/46/407452146.db2.gz OBUYJOPBOSHJPM-UHFFFAOYSA-N 0 3 319.361 1.960 20 5 DDBDHN CCN(Cc1ccncc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270998750 407460706 /nfs/dbraw/zinc/46/07/06/407460706.db2.gz JWLTXNHXNIQTSG-CQSZACIVSA-N 0 3 305.338 1.069 20 5 DDBDHN COC(=O)C[C@@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178873013 407635475 /nfs/dbraw/zinc/63/54/75/407635475.db2.gz ADSHRAPYWOAJGN-JSGCOSHPSA-N 0 3 308.334 1.656 20 5 DDBDHN CN(CCN(C)C1CC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000186764279 407766465 /nfs/dbraw/zinc/76/64/65/407766465.db2.gz HGOXBEFITKWLNQ-AWEZNQCLSA-N 0 3 323.393 1.361 20 5 DDBDHN COC[C@@H](O)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000117946610 407873591 /nfs/dbraw/zinc/87/35/91/407873591.db2.gz XLPPBPQXLUZBHM-ZDUSSCGKSA-N 0 3 306.318 1.952 20 5 DDBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000181184812 407963252 /nfs/dbraw/zinc/96/32/52/407963252.db2.gz NXDVFILTVWYRNR-PWSUYJOCSA-N 0 3 306.366 1.636 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000272428621 407915323 /nfs/dbraw/zinc/91/53/23/407915323.db2.gz HJCOHNICAFFRFT-OLZOCXBDSA-N 0 3 321.381 1.042 20 5 DDBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000245715105 408049559 /nfs/dbraw/zinc/04/95/59/408049559.db2.gz NXDVFILTVWYRNR-CMPLNLGQSA-N 0 3 306.366 1.636 20 5 DDBDHN COC1(C)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273260289 408128591 /nfs/dbraw/zinc/12/85/91/408128591.db2.gz ZFIXLVWVRUHKAJ-CYBMUJFWSA-N 0 3 324.377 1.835 20 5 DDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN2CCC[C@H]2C1 ZINC000246315656 408215519 /nfs/dbraw/zinc/21/55/19/408215519.db2.gz KBGUGJKJJZPNRT-WFASDCNBSA-N 0 3 318.377 1.702 20 5 DDBDHN O=C(CNC[C@@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000157470100 408303250 /nfs/dbraw/zinc/30/32/50/408303250.db2.gz DRMAMHISFUIERS-HNNXBMFYSA-N 0 3 319.361 1.248 20 5 DDBDHN COc1cc(C(=O)N2CC[C@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000171454553 162219853 /nfs/dbraw/zinc/21/98/53/162219853.db2.gz DUBMGPZSYOSIEV-ZDUSSCGKSA-N 0 3 319.361 1.914 20 5 DDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000274543568 408444870 /nfs/dbraw/zinc/44/48/70/408444870.db2.gz UUUKGIOXRAHXEU-YGRLFVJLSA-N 0 3 306.366 1.589 20 5 DDBDHN C[C@@H]1CCC[C@H](CO)N1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248441390 408566193 /nfs/dbraw/zinc/56/61/93/408566193.db2.gz DQGXXAUHODJIDV-MGPQQGTHSA-N 0 3 324.377 1.570 20 5 DDBDHN CO[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248459348 408570613 /nfs/dbraw/zinc/57/06/13/408570613.db2.gz NNXLKUZEMWOHGU-OLZOCXBDSA-N 0 3 310.350 1.445 20 5 DDBDHN CC1(O)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000177307736 408578722 /nfs/dbraw/zinc/57/87/22/408578722.db2.gz VGUPJKNKWZFGLK-ZDUSSCGKSA-N 0 3 310.350 1.181 20 5 DDBDHN O=C(NCCCN1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000265461288 408658726 /nfs/dbraw/zinc/65/87/26/408658726.db2.gz NDEDVTVQDCIQPC-UHFFFAOYSA-N 0 3 307.350 1.171 20 5 DDBDHN COCCN(C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000162617620 408719570 /nfs/dbraw/zinc/71/95/70/408719570.db2.gz LTDVUIOSHQJNKN-UHFFFAOYSA-N 0 3 324.381 1.993 20 5 DDBDHN Nc1ccc([N+](=O)[O-])c(N2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000193465716 408720721 /nfs/dbraw/zinc/72/07/21/408720721.db2.gz XSVIKZJKEDJLGK-LBPRGKRZSA-N 0 3 306.366 1.336 20 5 DDBDHN C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249550064 408740759 /nfs/dbraw/zinc/74/07/59/408740759.db2.gz HPDTXANIZJCYTP-SMDDNHRTSA-N 0 3 307.350 1.626 20 5 DDBDHN Cc1ccnc(N2CCN(CC3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000265510468 408678366 /nfs/dbraw/zinc/67/83/66/408678366.db2.gz PFUFTNMDYGMEKO-UHFFFAOYSA-N 0 3 320.393 1.847 20 5 DDBDHN COC[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000252441772 408794213 /nfs/dbraw/zinc/79/42/13/408794213.db2.gz RXRDTFGXKQPDQQ-UKRRQHHQSA-N 0 3 324.377 1.693 20 5 DDBDHN Nc1c(C(=O)NCc2ccc3c(c2)CNC3)cccc1[N+](=O)[O-] ZINC000188671946 163062896 /nfs/dbraw/zinc/06/28/96/163062896.db2.gz MQEVUESTGUMZRE-UHFFFAOYSA-N 0 3 312.329 1.710 20 5 DDBDHN COC[C@H](Cc1ccccc1)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000191482894 163188865 /nfs/dbraw/zinc/18/88/65/163188865.db2.gz SSDLEKAQTBOUDK-HNNXBMFYSA-N 0 3 318.377 1.981 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1N(C)CCCN1CCN(C)CC1 ZINC000192585332 163227768 /nfs/dbraw/zinc/22/77/68/163227768.db2.gz IUDGCQAGGJRDGY-UHFFFAOYSA-N 0 3 324.429 1.193 20 5 DDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCCN1C1CC1 ZINC000277432161 408939357 /nfs/dbraw/zinc/93/93/57/408939357.db2.gz DTCZJRYFDUIFPJ-CYBMUJFWSA-N 0 3 321.381 1.315 20 5 DDBDHN C[C@@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000283556770 409175665 /nfs/dbraw/zinc/17/56/65/409175665.db2.gz UJRWLWHIQMPZKZ-SNVBAGLBSA-N 0 3 324.356 1.778 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295425730 409476634 /nfs/dbraw/zinc/47/66/34/409476634.db2.gz UHMSWWOSXKUJCI-SNVBAGLBSA-N 0 3 321.381 1.437 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295425730 409476636 /nfs/dbraw/zinc/47/66/36/409476636.db2.gz UHMSWWOSXKUJCI-SNVBAGLBSA-N 0 3 321.381 1.437 20 5 DDBDHN Cc1ccc(C(=O)NCCNc2ccncc2)cc1[N+](=O)[O-] ZINC000338070694 409697164 /nfs/dbraw/zinc/69/71/64/409697164.db2.gz ZRWIFIJRCMQTKW-UHFFFAOYSA-N 0 3 300.318 1.562 20 5 DDBDHN CCN(Cc1ccccn1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305034147 409657309 /nfs/dbraw/zinc/65/73/09/409657309.db2.gz IDKUGBVTDUZGSF-CQSZACIVSA-N 0 3 305.338 1.069 20 5 DDBDHN C[C@H](NCCNC(=O)c1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000346791235 410154778 /nfs/dbraw/zinc/15/47/78/410154778.db2.gz HXDAPITVTYVKMF-NSHDSACASA-N 0 3 315.333 1.465 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCN(C)CC1 ZINC000340310434 410845336 /nfs/dbraw/zinc/84/53/36/410845336.db2.gz YEYVDOGBYVNULQ-UHFFFAOYSA-N 0 3 306.366 1.479 20 5 DDBDHN COc1ccc(CN[C@@H](CO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000359861022 410919987 /nfs/dbraw/zinc/91/99/87/410919987.db2.gz NFXAFKGTQKHZOL-ZDUSSCGKSA-N 0 3 310.350 1.481 20 5 DDBDHN CN(C)[C@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000331098620 410944485 /nfs/dbraw/zinc/94/44/85/410944485.db2.gz BUOCLCVFXNKHPT-VIFPVBQESA-N 0 3 313.304 1.578 20 5 DDBDHN CN(CCc1ccccc1O)CCn1cc([N+](=O)[O-])ccc1=O ZINC000344230874 411042799 /nfs/dbraw/zinc/04/27/99/411042799.db2.gz YKECYCYPNWIKKT-UHFFFAOYSA-N 0 3 317.345 1.637 20 5 DDBDHN CN(C)C(=O)CCN1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000344402868 411102485 /nfs/dbraw/zinc/10/24/85/411102485.db2.gz BKOZUDMZRXJVRZ-UHFFFAOYSA-N 0 3 320.393 1.949 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2CN2CCCC2)n1 ZINC000191790409 418523047 /nfs/dbraw/zinc/52/30/47/418523047.db2.gz FZEKVBZEBWRGSH-LBPRGKRZSA-N 0 3 321.381 1.512 20 5 DDBDHN CN(CCc1cccc([N+](=O)[O-])c1)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000374501916 418535891 /nfs/dbraw/zinc/53/58/91/418535891.db2.gz GEKPQURIPNJXPQ-CALCHBBNSA-N 0 3 319.405 1.932 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC2(N(C)C)CCC2)n1 ZINC000191720042 222107955 /nfs/dbraw/zinc/10/79/55/222107955.db2.gz BGDADVCHOYSCAZ-UHFFFAOYSA-N 0 3 309.370 1.368 20 5 DDBDHN CN1CC[C@@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)C1 ZINC000293617673 418580277 /nfs/dbraw/zinc/58/02/77/418580277.db2.gz DGTYAOBFRUIMHQ-OAHLLOKOSA-N 0 3 322.340 1.484 20 5 DDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1C[C@H](F)CN1 ZINC000368177417 418699494 /nfs/dbraw/zinc/69/94/94/418699494.db2.gz GJAJCPVVGZOZNE-QWRGUYRKSA-N 0 3 311.313 1.180 20 5 DDBDHN CC[C@@H](NCCNc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000361985296 418735475 /nfs/dbraw/zinc/73/54/75/418735475.db2.gz XUCJSIOVELUYPE-CQSZACIVSA-N 0 3 301.350 2.538 20 5 DDBDHN Cc1ccnc(N2CCCN(CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000372593477 418886253 /nfs/dbraw/zinc/88/62/53/418886253.db2.gz MBSFLHUGWVRQBJ-UHFFFAOYSA-N 0 3 308.382 1.581 20 5 DDBDHN COC(=O)[C@H]1CN(C)CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000411915461 419481039 /nfs/dbraw/zinc/48/10/39/419481039.db2.gz ZHDQRJLCOIWNPI-AWEZNQCLSA-N 0 3 321.377 1.440 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C[C@H]1CCCN1C ZINC000421000788 419431537 /nfs/dbraw/zinc/43/15/37/419431537.db2.gz KNIQYJOOQUCFOE-CQSZACIVSA-N 0 3 320.393 1.868 20 5 DDBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCCN1C ZINC000420996870 419435358 /nfs/dbraw/zinc/43/53/58/419435358.db2.gz GHYQFRNBLAXINB-CYBMUJFWSA-N 0 3 306.366 1.220 20 5 DDBDHN COC(=O)[C@@H]1CN(C)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000411902311 419457208 /nfs/dbraw/zinc/45/72/08/419457208.db2.gz HWZDNIBMBYZMPH-CYBMUJFWSA-N 0 3 307.350 1.131 20 5 DDBDHN COC1([C@H](C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC1 ZINC000412026751 419571005 /nfs/dbraw/zinc/57/10/05/419571005.db2.gz TYBSGUBULGBQIE-JTQLQIEISA-N 0 3 307.350 1.741 20 5 DDBDHN CC(C)N(CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC(=O)N1 ZINC000412092233 419646587 /nfs/dbraw/zinc/64/65/87/419646587.db2.gz VQULFMLJZZQHSR-CYBMUJFWSA-N 0 3 321.377 1.963 20 5 DDBDHN N[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCC1 ZINC000423418528 420045791 /nfs/dbraw/zinc/04/57/91/420045791.db2.gz UUPIIVIABIBYMX-BXUZGUMPSA-N 0 3 319.365 1.130 20 5 DDBDHN C[C@H]1CCCN(CCNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420585841 420323545 /nfs/dbraw/zinc/32/35/45/420323545.db2.gz NFSGGRGPYRQTGY-NSHDSACASA-N 0 3 306.366 1.838 20 5 DDBDHN CN1CC[C@@]2(CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])C2)C1 ZINC000420644194 420340273 /nfs/dbraw/zinc/34/02/73/420340273.db2.gz WPTKCXMHFVYUJP-OAHLLOKOSA-N 0 3 304.350 1.226 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](n3ccnn3)C2)cc1 ZINC000425504906 420403456 /nfs/dbraw/zinc/40/34/56/420403456.db2.gz XOBLWHNGIPACMW-CQSZACIVSA-N 0 3 317.349 1.902 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000450852620 420545615 /nfs/dbraw/zinc/54/56/15/420545615.db2.gz CYKWMOPOKZQZQM-RTXFEEFZSA-N 0 3 306.366 1.766 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457105359 420614651 /nfs/dbraw/zinc/61/46/51/420614651.db2.gz CDMQILOOSYOQDT-LBPRGKRZSA-N 0 3 309.370 1.041 20 5 DDBDHN CC1=CCN(CCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CC1 ZINC000447682815 420793838 /nfs/dbraw/zinc/79/38/38/420793838.db2.gz KFTUJRGQDHTKTG-UHFFFAOYSA-N 0 3 301.350 1.957 20 5 DDBDHN O=[N+]([O-])c1cccc(CN2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1 ZINC000449433159 421010583 /nfs/dbraw/zinc/01/05/83/421010583.db2.gz LASCQXKMVCSYIC-FVQBIDKESA-N 0 3 306.362 1.957 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCCN1CCCO ZINC000450588459 421212929 /nfs/dbraw/zinc/21/29/29/421212929.db2.gz BIMRBXQMUFZSPM-GFCCVEGCSA-N 0 3 311.386 1.378 20 5 DDBDHN Cc1cc(CCNC[C@@H](O)COc2ccccc2[N+](=O)[O-])on1 ZINC000518172298 421641929 /nfs/dbraw/zinc/64/19/29/421641929.db2.gz RDSCQCQPSKAXNY-GFCCVEGCSA-N 0 3 321.333 1.463 20 5 DDBDHN CN(C)C(=O)C(C)(C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000556810657 421740880 /nfs/dbraw/zinc/74/08/80/421740880.db2.gz JOVFGPOWUHBOOV-UHFFFAOYSA-N 0 3 322.365 1.380 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000538743386 421742916 /nfs/dbraw/zinc/74/29/16/421742916.db2.gz AHMXLJKDFCTQQV-KGLIPLIRSA-N 0 3 306.366 1.415 20 5 DDBDHN Cc1[nH]nc(C(=O)Nc2ccccc2CN(C)C)c1[N+](=O)[O-] ZINC000573991405 422045149 /nfs/dbraw/zinc/04/51/49/422045149.db2.gz YPGLLUJXFCWRED-UHFFFAOYSA-N 0 3 303.322 1.940 20 5 DDBDHN Cc1[n-]nc(C(=O)Nc2ccccc2C[NH+](C)C)c1[N+](=O)[O-] ZINC000573991405 422045156 /nfs/dbraw/zinc/04/51/56/422045156.db2.gz YPGLLUJXFCWRED-UHFFFAOYSA-N 0 3 303.322 1.940 20 5 DDBDHN C[C@H]1CN(CCCCNc2ccc(N)c([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000590584695 422320692 /nfs/dbraw/zinc/32/06/92/422320692.db2.gz ACIYOHRFQBJYKB-RYUDHWBXSA-N 0 3 323.397 1.873 20 5 DDBDHN Cc1ccnc(NCCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000609669393 422463605 /nfs/dbraw/zinc/46/36/05/422463605.db2.gz YXAXNTMDDMGLKT-UHFFFAOYSA-N 0 3 307.398 1.738 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]2COCC[C@H]21 ZINC000341583120 271127163 /nfs/dbraw/zinc/12/71/63/271127163.db2.gz UISULLXAWUIHOU-GXTWGEPZSA-N 0 3 307.350 1.257 20 5 DDBDHN C[C@@H](NCCCS(=O)(=O)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000342295887 271370182 /nfs/dbraw/zinc/37/01/82/271370182.db2.gz PWUYMILHAOHBPP-LLVKDONJSA-N 0 3 315.395 1.527 20 5 DDBDHN CS[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000342699380 271480256 /nfs/dbraw/zinc/48/02/56/271480256.db2.gz IFBTZDNRDDHWCZ-NEPJUHHUSA-N 0 3 324.406 1.176 20 5 DDBDHN CN1CCN(C)[C@H](CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000278849944 277102848 /nfs/dbraw/zinc/10/28/48/277102848.db2.gz VPMDHOSDTOTRMH-NVXWUHKLSA-N 0 3 318.421 1.808 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]([NH3+])C2CC2)c1C ZINC000194730920 281015792 /nfs/dbraw/zinc/01/57/92/281015792.db2.gz FNLJTPZXGYXZAZ-LLVKDONJSA-N 0 3 313.379 1.227 20 5 DDBDHN CN(C)CCN(Cc1ccco1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000126255707 281232045 /nfs/dbraw/zinc/23/20/45/281232045.db2.gz SGJAKNWLDUIDLT-UHFFFAOYSA-N 0 3 321.337 1.125 20 5 DDBDHN CN(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])nn1C)c1ccccc1 ZINC000356495821 298806911 /nfs/dbraw/zinc/80/69/11/298806911.db2.gz GRAAZOPSKGJSIE-LBPRGKRZSA-N 0 3 317.349 1.361 20 5 DDBDHN C[C@@H]1Oc2ccccc2[C@H]1NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574270759 304642458 /nfs/dbraw/zinc/64/24/58/304642458.db2.gz KAFZKLYAKIMREW-WBIUFABUSA-N 0 3 318.333 1.264 20 5 DDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000363265560 300241790 /nfs/dbraw/zinc/24/17/90/300241790.db2.gz FYFAKBOAEKPFSW-LSDHHAIUSA-N 0 3 319.361 1.117 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000368925812 301106332 /nfs/dbraw/zinc/10/63/32/301106332.db2.gz LXFRYONGVBKFMC-ZDUSSCGKSA-N 0 3 321.381 1.187 20 5 DDBDHN CC(C)OC[C@@H](O)CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369012207 301119216 /nfs/dbraw/zinc/11/92/16/301119216.db2.gz UMXJYJZBBXLXBR-OCCSQVGLSA-N 0 3 312.370 1.214 20 5 DDBDHN O=[N+]([O-])c1cccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000369234879 301147838 /nfs/dbraw/zinc/14/78/38/301147838.db2.gz GCSQBHFHGIFESZ-HZPDHXFCSA-N 0 3 305.378 1.626 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)CC[NH3+] ZINC000397202705 302352308 /nfs/dbraw/zinc/35/23/08/302352308.db2.gz XIEOIFKMMRVCCP-UHFFFAOYSA-N 0 3 317.367 1.009 20 5 DDBDHN CNc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000532078037 303274919 /nfs/dbraw/zinc/27/49/19/303274919.db2.gz IJQDDULYVBYBNF-QMTHXVAHSA-N 0 3 318.377 1.849 20 5 DDBDHN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@@H]1CN1CCCCC1 ZINC000548941725 303599734 /nfs/dbraw/zinc/59/97/34/303599734.db2.gz GHMZPOGAGKXWKT-LLVKDONJSA-N 0 3 307.354 1.408 20 5 DDBDHN CCc1ccc([C@H](CO)NCCn2ccc([N+](=O)[O-])n2)cc1 ZINC000359624378 306958330 /nfs/dbraw/zinc/95/83/30/306958330.db2.gz IDSKHGQFNZCURW-AWEZNQCLSA-N 0 3 304.350 1.677 20 5 DDBDHN Cc1nn(C)c(C(=O)Nc2cccc3c2CNCC3)c1[N+](=O)[O-] ZINC000367653493 307100321 /nfs/dbraw/zinc/10/03/21/307100321.db2.gz NSYBHKOHEZCZMB-UHFFFAOYSA-N 0 3 315.333 1.535 20 5 DDBDHN COC(=O)[C@]12CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]1COCC2 ZINC000369541924 307123000 /nfs/dbraw/zinc/12/30/00/307123000.db2.gz QYFXWDORHVYPQE-XJKSGUPXSA-N 0 3 320.345 1.606 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000391701623 307294453 /nfs/dbraw/zinc/29/44/53/307294453.db2.gz BWLMWAIICOYOGW-UHFFFAOYSA-N 0 3 316.317 1.668 20 5 DDBDHN COCCN(C)C[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000565169269 308022865 /nfs/dbraw/zinc/02/28/65/308022865.db2.gz GBXMZLOQTJFXNC-SWLSCSKDSA-N 0 3 311.382 1.185 20 5 DDBDHN CN1CCN(CCn2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000567624367 308087180 /nfs/dbraw/zinc/08/71/80/308087180.db2.gz NANWJVKSLOKUHE-UHFFFAOYSA-N 0 3 307.398 1.742 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000570267101 308165186 /nfs/dbraw/zinc/16/51/86/308165186.db2.gz CWVHXXMUKLXYBZ-MRXNPFEDSA-N 0 3 319.361 1.090 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCC(F)(F)F ZINC000575981832 308284501 /nfs/dbraw/zinc/28/45/01/308284501.db2.gz ZLBJFQIEKWYJCB-SECBINFHSA-N 0 3 308.256 1.877 20 5 DDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000577354986 308381014 /nfs/dbraw/zinc/38/10/14/308381014.db2.gz XFGBMCRAKXVYLJ-NWDGAFQWSA-N 0 3 322.365 1.365 20 5 DDBDHN CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361591240 484521402 /nfs/dbraw/zinc/52/14/02/484521402.db2.gz YPNRDUHHDYWNKI-OLZOCXBDSA-N 0 3 310.350 1.445 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCNC(C)(C)C1 ZINC000420269696 533931795 /nfs/dbraw/zinc/93/17/95/533931795.db2.gz FWVPMUVHFBJFON-UHFFFAOYSA-N 0 3 307.350 1.878 20 5 DDBDHN Cc1c([C@@H](C)NC[C@@H](O)Cn2ccnn2)cccc1[N+](=O)[O-] ZINC000414203629 533943057 /nfs/dbraw/zinc/94/30/57/533943057.db2.gz ZPTFYAYXZHGWKA-VXGBXAGGSA-N 0 3 305.338 1.206 20 5 DDBDHN CC(C)N(C)C(=O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157678359 519587604 /nfs/dbraw/zinc/58/76/04/519587604.db2.gz MYZGJUNCUDMFLK-UHFFFAOYSA-N 0 3 323.397 1.370 20 5 DDBDHN CCN(C)CCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000299299584 527795344 /nfs/dbraw/zinc/79/53/44/527795344.db2.gz ZGWUAKPOBWVKBG-UHFFFAOYSA-N 0 3 310.354 1.354 20 5 DDBDHN CCN1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293249157 527903052 /nfs/dbraw/zinc/90/30/52/527903052.db2.gz LYMRGMPUKVYWSK-JKSUJKDBSA-N 0 3 305.378 1.890 20 5 DDBDHN CC1(C)CCCN(CCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000444616868 528934358 /nfs/dbraw/zinc/93/43/58/528934358.db2.gz DXKLEKWLYKBHCL-UHFFFAOYSA-N 0 3 323.397 1.420 20 5 DDBDHN CC[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821266279 599146668 /nfs/dbraw/zinc/14/66/68/599146668.db2.gz AHBYSYNQZJGTGY-SECBINFHSA-N 0 3 318.341 1.066 20 5 DDBDHN CC[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821266279 599146669 /nfs/dbraw/zinc/14/66/69/599146669.db2.gz AHBYSYNQZJGTGY-SECBINFHSA-N 0 3 318.341 1.066 20 5 DDBDHN CC[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821266279 599146671 /nfs/dbraw/zinc/14/66/71/599146671.db2.gz AHBYSYNQZJGTGY-SECBINFHSA-N 0 3 318.341 1.066 20 5 DDBDHN CC[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821266279 599146673 /nfs/dbraw/zinc/14/66/73/599146673.db2.gz AHBYSYNQZJGTGY-SECBINFHSA-N 0 3 318.341 1.066 20 5 DDBDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@@H+]1C ZINC000820664758 599590373 /nfs/dbraw/zinc/59/03/73/599590373.db2.gz BQDHMOSQSCXTNL-VHSXEESVSA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1C ZINC000820664758 599590375 /nfs/dbraw/zinc/59/03/75/599590375.db2.gz BQDHMOSQSCXTNL-VHSXEESVSA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1C ZINC000820664758 599590379 /nfs/dbraw/zinc/59/03/79/599590379.db2.gz BQDHMOSQSCXTNL-VHSXEESVSA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1C ZINC000820664758 599590382 /nfs/dbraw/zinc/59/03/82/599590382.db2.gz BQDHMOSQSCXTNL-VHSXEESVSA-N 0 3 317.353 1.670 20 5 DDBDHN CC1(C)CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCN1 ZINC000747921048 700092509 /nfs/dbraw/zinc/09/25/09/700092509.db2.gz HIMYCFKLJIXVKI-UHFFFAOYSA-N 0 3 311.313 1.323 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(C3OCCO3)CC2)cc1 ZINC000776581081 698120862 /nfs/dbraw/zinc/12/08/62/698120862.db2.gz DXXABDXEWJTKCG-HNNXBMFYSA-N 0 3 322.361 1.713 20 5 DDBDHN COCCOC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584273 698121356 /nfs/dbraw/zinc/12/13/56/698121356.db2.gz JVSGBEXHMCEUQH-INIZCTEOSA-N 0 3 324.377 1.756 20 5 DDBDHN CC(COC(=O)CCC(=O)c1ccc2c(c1)OCCO2)[N+](=O)[O-] ZINC000813109291 702295213 /nfs/dbraw/zinc/29/52/13/702295213.db2.gz RDFSQNIILHBIJG-JTQLQIEISA-N 0 3 323.301 1.629 20 5 DDBDHN CC(=O)N[C@@H](CC(=O)OCC(C)[N+](=O)[O-])c1cccs1 ZINC000813108349 702295568 /nfs/dbraw/zinc/29/55/68/702295568.db2.gz DLETWNMQHCBREZ-WPRPVWTQSA-N 0 3 300.336 1.524 20 5 DDBDHN Cc1ccccc1[C@@H](CC(=O)OCC(C)[N+](=O)[O-])NC(N)=O ZINC000813109816 702296304 /nfs/dbraw/zinc/29/63/04/702296304.db2.gz PLZNUOOIDWJRQN-CMPLNLGQSA-N 0 3 309.322 1.303 20 5 DDBDHN CC(COC(=O)c1cc(N2CCNC2=O)ccc1F)[N+](=O)[O-] ZINC000813111384 702297096 /nfs/dbraw/zinc/29/70/96/702297096.db2.gz SKBOMONOEYDFFS-MRVPVSSYSA-N 0 3 311.269 1.177 20 5 DDBDHN CC(COC(=O)CN1c2ccccc2OCCC1=O)[N+](=O)[O-] ZINC000813114468 702299552 /nfs/dbraw/zinc/29/95/52/702299552.db2.gz BYNNWDIJRGMLDL-SNVBAGLBSA-N 0 3 308.290 1.011 20 5 DDBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H](CO)[C@H]1CO ZINC000879361315 706660967 /nfs/dbraw/zinc/66/09/67/706660967.db2.gz CLDOSCIURGSEBE-GXTWGEPZSA-N 0 3 310.350 1.039 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[NH+](C)C)cc1F ZINC000866380088 706685761 /nfs/dbraw/zinc/68/57/61/706685761.db2.gz RWZRNCDDZDAAHM-UHFFFAOYSA-N 0 3 319.358 1.272 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(C3(O)CC3)CC2)c1 ZINC000844363062 703019813 /nfs/dbraw/zinc/01/98/13/703019813.db2.gz NFGAHKSZAMESFD-OAHLLOKOSA-N 0 3 306.362 1.865 20 5 DDBDHN CN(CCN1CCCCC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846612256 703303483 /nfs/dbraw/zinc/30/34/83/703303483.db2.gz MHUORHOCXDYAHU-UHFFFAOYSA-N 0 3 306.366 1.735 20 5 DDBDHN COC(=O)COc1ccc(CN[C@@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000850359155 703726970 /nfs/dbraw/zinc/72/69/70/703726970.db2.gz YFRVKYGNVNQRNG-GFCCVEGCSA-N 0 3 306.318 1.955 20 5 DDBDHN CC(C)N1C[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000818996654 704047474 /nfs/dbraw/zinc/04/74/74/704047474.db2.gz VAOOKCPVDMJBRM-TZMCWYRMSA-N 0 3 307.350 1.227 20 5 DDBDHN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCOC2(CNC2)C1 ZINC000853245606 704223937 /nfs/dbraw/zinc/22/39/37/704223937.db2.gz MTXBNRXQJLZLEL-UHFFFAOYSA-N 0 3 311.725 1.063 20 5 DDBDHN O=C([N-][C@H]1CCC[NH2+]C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857762972 704621694 /nfs/dbraw/zinc/62/16/94/704621694.db2.gz KBHVLSPUSUTFER-VIFPVBQESA-N 0 3 315.276 1.435 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccnc(CO)c3)C2)nc1 ZINC000858455219 704713416 /nfs/dbraw/zinc/71/34/16/704713416.db2.gz KUBBVJSAEYPDMP-NSHDSACASA-N 0 3 315.333 1.568 20 5 DDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000874851037 705204066 /nfs/dbraw/zinc/20/40/66/705204066.db2.gz ZCGGRJPAIMYLEC-STQMWFEESA-N 0 3 319.361 1.669 20 5 DDBDHN Cc1ccc(CNC[C@@H](O)COC2CCOCC2)cc1[N+](=O)[O-] ZINC000872231972 707340308 /nfs/dbraw/zinc/34/03/08/707340308.db2.gz VTSKCNSLQZCRQL-CQSZACIVSA-N 0 3 324.377 1.549 20 5 DDBDHN CN(CCO)CCNc1ccc([N+](=O)[O-])cc1Br ZINC000884824037 708387602 /nfs/dbraw/zinc/38/76/02/708387602.db2.gz ONQSXCRRNDEVSB-UHFFFAOYSA-N 0 3 318.171 1.693 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)CCN(C)CCO ZINC000912612771 713050931 /nfs/dbraw/zinc/05/09/31/713050931.db2.gz QTZJTPJABAFVFX-UHFFFAOYSA-N 0 3 309.366 1.208 20 5 DDBDHN Cc1nn(C)c(C(=O)NCCN2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000890078521 709738214 /nfs/dbraw/zinc/73/82/14/709738214.db2.gz FYQRNQDSEQRBPR-UHFFFAOYSA-N 0 3 309.370 1.098 20 5 DDBDHN CCN1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000910296270 709873787 /nfs/dbraw/zinc/87/37/87/709873787.db2.gz UIZVOGHYMIOHEM-ZDUSSCGKSA-N 0 3 321.377 1.916 20 5 DDBDHN C[C@@]1(NC(=O)Cc2cccc([N+](=O)[O-])c2)CN2CCC1CC2 ZINC000892781787 710497644 /nfs/dbraw/zinc/49/76/44/710497644.db2.gz QMHKCBRXWVZPRU-MRXNPFEDSA-N 0 3 303.362 1.738 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCN1C1CCOCC1 ZINC000896519869 711737268 /nfs/dbraw/zinc/73/72/68/711737268.db2.gz YPRMXKXJGZEQAI-CYBMUJFWSA-N 0 3 306.366 1.963 20 5 DDBDHN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNCC[N+](=O)[O-])C1 ZINC000905489762 712052781 /nfs/dbraw/zinc/05/27/81/712052781.db2.gz DPTYLIOXOMICLT-JTQLQIEISA-N 0 3 323.340 1.745 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])CCN1C ZINC000913933880 713321908 /nfs/dbraw/zinc/32/19/08/713321908.db2.gz USZZDXSDUPAFSR-NEPJUHHUSA-N 0 3 321.381 1.399 20 5 DDBDHN Cc1cc(S(=O)(=O)[N-]C2CC([NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000916906976 713473365 /nfs/dbraw/zinc/47/33/65/713473365.db2.gz LMSZGPDDAKIKLY-UHFFFAOYSA-N 0 3 319.408 1.336 20 5 DDBDHN C[C@@H](CN1C(=O)N[C@@H](CN(C)C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000928999993 713522818 /nfs/dbraw/zinc/52/28/18/713522818.db2.gz AFGVDBPSUDNFHG-JQWIXIFHSA-N 0 3 320.349 1.180 20 5 DDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000923269980 714291697 /nfs/dbraw/zinc/29/16/97/714291697.db2.gz ZRGHPXFMLZUMKE-VHSXEESVSA-N 0 3 322.340 1.625 20 5 DDBDHN O=C(CC1(O)CCC1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126848120 742372097 /nfs/dbraw/zinc/37/20/97/742372097.db2.gz MXKYTVQNTUUOEY-UHFFFAOYSA-N 0 3 307.350 1.106 20 5 DDBDHN COc1c([O-])ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)c1[N+](=O)[O-] ZINC001181125091 743074261 /nfs/dbraw/zinc/07/42/61/743074261.db2.gz JAZZXTCUXGXRRQ-PWSUYJOCSA-N 0 3 310.350 1.950 20 5 DDBDHN O=C(Cc1ccon1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125103762 748862193 /nfs/dbraw/zinc/86/21/93/748862193.db2.gz NMKPQNJSOHVMJG-UHFFFAOYSA-N 0 3 304.306 1.031 20 5 DDBDHN CN(c1ccc2ccc3cccnc3c2n1)S(=O)(=O)CCN ZINC001156232315 762087261 /nfs/dbraw/zinc/08/72/61/762087261.db2.gz VWZMWGYQXWQORP-UHFFFAOYSA-N 0 3 316.386 1.508 20 5 DDBDHN COc1cccc(N2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169039541 762193686 /nfs/dbraw/zinc/19/36/86/762193686.db2.gz QXUVXHPGIQXBHM-UONOGXRCSA-N 0 3 320.393 1.658 20 5 DDBDHN COc1cccc(N2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169039540 762193657 /nfs/dbraw/zinc/19/36/57/762193657.db2.gz QXUVXHPGIQXBHM-KGLIPLIRSA-N 0 3 320.393 1.658 20 5 DDBDHN COc1ccc(C[C@@H](C)N2CCN3CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170355645 766261943 /nfs/dbraw/zinc/26/19/43/766261943.db2.gz NNVKFSAQQBSHDU-OCCSQVGLSA-N 0 3 305.378 1.924 20 5 DDBDHN Cc1nnccc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001130864923 767770900 /nfs/dbraw/zinc/77/09/00/767770900.db2.gz MDSOWPDGVYHXMH-UHFFFAOYSA-N 0 3 315.333 1.213 20 5 DDBDHN CCN(C)C(C)(C)C(=O)NCCNc1nc(C)ccc1[N+](=O)[O-] ZINC001093953258 775262055 /nfs/dbraw/zinc/26/20/55/775262055.db2.gz TUUUEYDUWXQNIN-UHFFFAOYSA-N 0 3 323.397 1.557 20 5 DDBDHN CCCN(C)CC(=O)N(C)CCNc1ncc(C)cc1[N+](=O)[O-] ZINC001101705837 777416023 /nfs/dbraw/zinc/41/60/23/777416023.db2.gz ZKFKBXVOURFXEI-UHFFFAOYSA-N 0 3 323.397 1.510 20 5 DDBDHN CN(CCNc1ncccc1[N+](=O)[O-])C(=O)CN(C)C1CCC1 ZINC001102017452 777799828 /nfs/dbraw/zinc/79/98/28/777799828.db2.gz ZJUMXHQSXWMAHF-UHFFFAOYSA-N 0 3 321.381 1.344 20 5 DDBDHN Cc1nc(NC[C@@H]2CCN2C2CCOCC2)ncc1[N+](=O)[O-] ZINC001120064187 781745202 /nfs/dbraw/zinc/74/52/02/781745202.db2.gz CQTAFMAIWZMSNU-LBPRGKRZSA-N 0 3 307.354 1.358 20 5 DDBDHN CN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(C)C1 ZINC001326489243 861402999 /nfs/dbraw/zinc/40/29/99/861402999.db2.gz PLPNIQUVRHFISD-ZIAGYGMSSA-N 0 3 307.350 1.181 20 5 DDBDHN Cc1ccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)n1C ZINC001123492281 859258872 /nfs/dbraw/zinc/25/88/72/859258872.db2.gz UGFRDLXDVFKMSI-UHFFFAOYSA-N 0 3 316.361 1.761 20 5 DDBDHN CN1CCC[C@H](OCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224986808 881624869 /nfs/dbraw/zinc/62/48/69/881624869.db2.gz KKFKGSNVSNHFBG-AWEZNQCLSA-N 0 3 308.334 1.749 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3CCCN(C)[C@H]3C2)n1 ZINC001157282398 863709719 /nfs/dbraw/zinc/70/97/19/863709719.db2.gz NBWPIYZLELCEHC-MFKMUULPSA-N 0 3 320.349 1.307 20 5 DDBDHN CCN(CC)CCNC(=N)Nc1nc(Cl)ncc1[N+](=O)[O-] ZINC001163122607 868125421 /nfs/dbraw/zinc/12/54/21/868125421.db2.gz NKJDFAUDBRDCQT-UHFFFAOYSA-N 0 3 315.765 1.316 20 5 DDBDHN CN(C)C1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C1 ZINC001163932646 868802935 /nfs/dbraw/zinc/80/29/35/868802935.db2.gz QYRCJKYONJQJPQ-UHFFFAOYSA-N 0 3 306.700 1.938 20 5 DDBDHN CCn1c(C[N+](=O)[O-])nnc1N1CCN(C2CCCCC2)CC1 ZINC001339326118 870445955 /nfs/dbraw/zinc/44/59/55/870445955.db2.gz GDZTYXFEIDJNCX-UHFFFAOYSA-N 0 3 322.413 1.529 20 5 DDBDHN COCC(C)(C)C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001317610374 871195351 /nfs/dbraw/zinc/19/53/51/871195351.db2.gz NRBRZXUTUGPRRA-UHFFFAOYSA-N 0 3 323.393 1.815 20 5 DDBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ncccn1 ZINC001317644152 871296043 /nfs/dbraw/zinc/29/60/43/871296043.db2.gz WCUUILGPZAFLRF-UHFFFAOYSA-N 0 3 315.333 1.247 20 5 DDBDHN Nc1cc(CCCCNC(=O)c2cc([N+](=O)[O-])n[n-]2)cc[nH+]1 ZINC001306091861 871322658 /nfs/dbraw/zinc/32/26/58/871322658.db2.gz XWFCKIDDDKADRW-UHFFFAOYSA-N 0 3 304.310 1.048 20 5 DDBDHN NC(=O)c1cncc(CN[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254588350 896518923 /nfs/dbraw/zinc/51/89/23/896518923.db2.gz DOOAJKVYEYDQIV-CQSZACIVSA-N 0 3 312.329 1.346 20 5 DDBDHN C[C@]1(CO)CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@H]1O ZINC001254593351 896521486 /nfs/dbraw/zinc/52/14/86/896521486.db2.gz LILUJHRMWPUFED-ARFHVFGLSA-N 0 3 306.362 1.127 20 5 DDBDHN CN1CCC2(CN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1=O ZINC001254611075 896531779 /nfs/dbraw/zinc/53/17/79/896531779.db2.gz UMBTVJBJPUROBV-CQSZACIVSA-N 0 3 301.346 1.226 20 5 DDBDHN Cc1nn(C)c(NC[C@H](O)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000078727596 282274616 /nfs/dbraw/zinc/27/46/16/282274616.db2.gz SMWCVHIOXAILPQ-LBPRGKRZSA-N 0 3 311.386 1.141 20 5 DDBDHN CN(C[C@@H]1CCCN1C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000421701039 529949505 /nfs/dbraw/zinc/94/95/05/529949505.db2.gz GRSJOKXTLBVZDW-NSHDSACASA-N 0 3 309.370 1.079 20 5 DDBDHN COc1c(C(=O)N2CCO[C@H](CN(C)C)C2)cccc1[N+](=O)[O-] ZINC000331052311 232428541 /nfs/dbraw/zinc/42/85/41/232428541.db2.gz IXTMOMRSPCERPN-LLVKDONJSA-N 0 3 323.349 1.006 20 5 DDBDHN C[C@H](CN(C)C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000358485787 299169745 /nfs/dbraw/zinc/16/97/45/299169745.db2.gz VIKRSGQSBSJTDC-GFCCVEGCSA-N 0 3 308.382 1.729 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CSc3ccccc32)c1 ZINC000564854995 304019439 /nfs/dbraw/zinc/01/94/39/304019439.db2.gz VBVQXOUKRFXUJV-YPMHNXCESA-N 0 3 320.374 1.589 20 5 DDBDHN COc1ccc(OCCN2CC[C@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000488753103 233899066 /nfs/dbraw/zinc/89/90/66/233899066.db2.gz QHDPAOIMYJIDDM-NWDGAFQWSA-N 0 3 310.350 1.685 20 5 DDBDHN C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@H]1C ZINC000043085832 352360322 /nfs/dbraw/zinc/36/03/22/352360322.db2.gz FKWORRPFEYYIDH-NEPJUHHUSA-N 0 3 309.370 1.170 20 5 DDBDHN CNC(=O)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046054803 352435036 /nfs/dbraw/zinc/43/50/36/352435036.db2.gz KFEKMHGYZNLFLB-UHFFFAOYSA-N 0 3 307.350 1.432 20 5 DDBDHN CN1CCC[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054644034 352699797 /nfs/dbraw/zinc/69/97/97/352699797.db2.gz BQCROYWIYJURPA-CYBMUJFWSA-N 0 3 306.366 1.531 20 5 DDBDHN CC[C@@H](CO)N1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000174138185 198296329 /nfs/dbraw/zinc/29/63/29/198296329.db2.gz KSHRUSDFJNMRNN-AWEZNQCLSA-N 0 3 323.393 1.362 20 5 DDBDHN COc1ccc(CC(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590044221 355042555 /nfs/dbraw/zinc/04/25/55/355042555.db2.gz ISKOCPSNGZIHLT-JSGCOSHPSA-N 0 3 319.361 1.308 20 5 DDBDHN C[C@H](C(=O)N1CC[C@@H]2CN(C)C[C@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000590045679 355043686 /nfs/dbraw/zinc/04/36/86/355043686.db2.gz SVRKMGJNYXVODN-FIXISWKDSA-N 0 3 321.352 2.000 20 5 DDBDHN COc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc([N+](=O)[O-])c1C ZINC000590047188 355044316 /nfs/dbraw/zinc/04/43/16/355044316.db2.gz XDJJTURWRTUFNN-BXUZGUMPSA-N 0 3 319.361 1.688 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000590446498 355099855 /nfs/dbraw/zinc/09/98/55/355099855.db2.gz VZFCVKRQXNRXCN-GWCFXTLKSA-N 0 3 305.334 1.380 20 5 DDBDHN CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCCN1C ZINC000591505418 355322049 /nfs/dbraw/zinc/32/20/49/355322049.db2.gz JOFGMUYSXOJDRH-CYBMUJFWSA-N 0 3 321.377 1.892 20 5 DDBDHN C[C@@H](C[S@@](C)=O)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591760697 355379572 /nfs/dbraw/zinc/37/95/72/355379572.db2.gz PTSRWDSEZFCDCO-CHNSCGDPSA-N 0 3 313.379 1.280 20 5 DDBDHN COc1ccc(C(=O)N2CCN[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000592247010 355546880 /nfs/dbraw/zinc/54/68/80/355546880.db2.gz QTGRFTFHSVAHGT-GFCCVEGCSA-N 0 3 307.350 1.673 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000593588731 355935039 /nfs/dbraw/zinc/93/50/39/355935039.db2.gz LXBKQCNUTCIOFL-NHYWBVRUSA-N 0 3 321.352 1.829 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594417365 356203268 /nfs/dbraw/zinc/20/32/68/356203268.db2.gz BZDBOQOBFZCBPD-QWRGUYRKSA-N 0 3 307.354 1.075 20 5 DDBDHN CS(=O)(=O)CC1(CCNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000594948871 356362354 /nfs/dbraw/zinc/36/23/54/356362354.db2.gz AVQQVHVIYSULMG-UHFFFAOYSA-N 0 3 312.391 1.899 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCN1CCO[C@@H](C)C1 ZINC000595012867 356372273 /nfs/dbraw/zinc/37/22/73/356372273.db2.gz PLRSZTIHVAKUHU-QWHCGFSZSA-N 0 3 323.393 1.975 20 5 DDBDHN COC[C@H](CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000595370251 356468114 /nfs/dbraw/zinc/46/81/14/356468114.db2.gz FYIHJIZBXWPYNJ-YPMHNXCESA-N 0 3 310.354 1.137 20 5 DDBDHN CCCN1CC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000595575691 356558973 /nfs/dbraw/zinc/55/89/73/356558973.db2.gz WHEGWVPPAIVPTF-AWEZNQCLSA-N 0 3 320.393 1.921 20 5 DDBDHN COc1cccc(C(=O)N[C@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000618210178 363512824 /nfs/dbraw/zinc/51/28/24/363512824.db2.gz SGKBATBAXXJYOA-LBPRGKRZSA-N 0 3 319.361 1.818 20 5 DDBDHN O=C1CC[C@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1 ZINC000595745626 356633724 /nfs/dbraw/zinc/63/37/24/356633724.db2.gz YSSWJUZDQKGQDK-WFASDCNBSA-N 0 3 319.361 1.574 20 5 DDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)C1(NC2CC2)CCC1 ZINC000595931017 356709524 /nfs/dbraw/zinc/70/95/24/356709524.db2.gz FIPIBUWWEYNINK-UHFFFAOYSA-N 0 3 303.362 1.928 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596163182 356797700 /nfs/dbraw/zinc/79/77/00/356797700.db2.gz QDQGZGPQBRBEEW-NOZJJQNGSA-N 0 3 304.350 1.588 20 5 DDBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)[C@@H]2C1 ZINC000596189724 356806994 /nfs/dbraw/zinc/80/69/94/356806994.db2.gz QGHLRECYVULPHF-IINYFYTJSA-N 0 3 304.350 1.224 20 5 DDBDHN CCN1CCCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000596268625 356838972 /nfs/dbraw/zinc/83/89/72/356838972.db2.gz KTTHQRJSXAMVEM-GFCCVEGCSA-N 0 3 320.393 1.875 20 5 DDBDHN CCc1n[nH]c(C(=O)N(CC)[C@H]2CCN(CC)C2)c1[N+](=O)[O-] ZINC000598043928 357440852 /nfs/dbraw/zinc/44/08/52/357440852.db2.gz XMIBSJMATBSRNC-JTQLQIEISA-N 0 3 309.370 1.437 20 5 DDBDHN CCc1[nH]nc(C(=O)N(CC)[C@H]2CCN(CC)C2)c1[N+](=O)[O-] ZINC000598043928 357440855 /nfs/dbraw/zinc/44/08/55/357440855.db2.gz XMIBSJMATBSRNC-JTQLQIEISA-N 0 3 309.370 1.437 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCN1CC[C@@H](O)C1)CCC2 ZINC000599084667 357810466 /nfs/dbraw/zinc/81/04/66/357810466.db2.gz DVSJKNBTEGGDRS-ZBFHGGJFSA-N 0 3 305.378 1.628 20 5 DDBDHN COC(=O)CCNC(=O)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000599089456 357812005 /nfs/dbraw/zinc/81/20/05/357812005.db2.gz ULEMETHXYVSBQI-LLVKDONJSA-N 0 3 323.349 1.315 20 5 DDBDHN COC(=O)C[C@@H](NCc1c([N+](=O)[O-])ncn1C)C1CCCCC1 ZINC000347958501 283306597 /nfs/dbraw/zinc/30/65/97/283306597.db2.gz LBQCWOPVSOTSJH-GFCCVEGCSA-N 0 3 324.381 1.930 20 5 DDBDHN Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000600474008 358234725 /nfs/dbraw/zinc/23/47/25/358234725.db2.gz WAYNTESQMBPCSP-NSHDSACASA-N 0 3 307.354 1.373 20 5 DDBDHN C[C@H]1OCC[C@@H]1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000602837527 359228067 /nfs/dbraw/zinc/22/80/67/359228067.db2.gz ONSKEDOGUJJSSX-CHWSQXEVSA-N 0 3 306.366 1.537 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCOC2(CCOCC2)CC1 ZINC000602812846 359209795 /nfs/dbraw/zinc/20/97/95/359209795.db2.gz RXGYHTCBJMMWCV-UHFFFAOYSA-N 0 3 324.381 1.371 20 5 DDBDHN Cn1cc(CN[C@@H]2CCN(C)[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602822939 359217565 /nfs/dbraw/zinc/21/75/65/359217565.db2.gz HJXFEDOHUVNYHR-HUUCEWRRSA-N 0 3 315.377 1.863 20 5 DDBDHN CN(C)C(=O)CCCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962521 359325574 /nfs/dbraw/zinc/32/55/74/359325574.db2.gz LPMYRGKRNDTNIS-HNNXBMFYSA-N 0 3 309.366 1.260 20 5 DDBDHN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCNCC1 ZINC000237875504 202375781 /nfs/dbraw/zinc/37/57/81/202375781.db2.gz LTPUNWDPVILWBA-UHFFFAOYSA-N 0 3 315.333 1.216 20 5 DDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000189428697 200399640 /nfs/dbraw/zinc/39/96/40/200399640.db2.gz UJGNDYMAHXQACJ-CYBMUJFWSA-N 0 3 307.394 1.872 20 5 DDBDHN CC(C)(C(=O)N1CC[C@H](N2CCCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000608905345 360252770 /nfs/dbraw/zinc/25/27/70/360252770.db2.gz FHMQWJYGRXUTKZ-LBPRGKRZSA-N 0 3 321.381 1.223 20 5 DDBDHN CC[C@@H](CN1CCCC1)NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000609833306 360354344 /nfs/dbraw/zinc/35/43/44/360354344.db2.gz GMEIWUODKWVGIA-LBPRGKRZSA-N 0 3 309.370 1.090 20 5 DDBDHN CCCCN(C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609570172 360326297 /nfs/dbraw/zinc/32/62/97/360326297.db2.gz TZTKMFAAMMYGMR-UHFFFAOYSA-N 0 3 323.349 1.785 20 5 DDBDHN Cc1cnc(N2CCCN(C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000610489136 360450359 /nfs/dbraw/zinc/45/03/59/360450359.db2.gz FTQYOOWDKKMGBF-CQSZACIVSA-N 0 3 320.393 1.989 20 5 DDBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000195137285 201345490 /nfs/dbraw/zinc/34/54/90/201345490.db2.gz LMSWODUIUNDIGW-LLVKDONJSA-N 0 3 306.366 1.781 20 5 DDBDHN O=C1C[C@@]2(CCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)CN1 ZINC000619077474 363888016 /nfs/dbraw/zinc/88/80/16/363888016.db2.gz HKOHEUFVBHZWMF-IMMZDGJCSA-N 0 3 301.346 1.820 20 5 DDBDHN N[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000261996161 203170875 /nfs/dbraw/zinc/17/08/75/203170875.db2.gz NDNMIWFVNWVFHL-AWEZNQCLSA-N 0 3 307.350 1.007 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CC[C@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264580224 204008349 /nfs/dbraw/zinc/00/83/49/204008349.db2.gz CHNPREUXKLHVAF-NSHDSACASA-N 0 3 321.381 1.581 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CC[C@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264580224 204008352 /nfs/dbraw/zinc/00/83/52/204008352.db2.gz CHNPREUXKLHVAF-NSHDSACASA-N 0 3 321.381 1.581 20 5 DDBDHN CCN1CCCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000264659586 204061539 /nfs/dbraw/zinc/06/15/39/204061539.db2.gz HLHFJNMWUKSGQV-CQSZACIVSA-N 0 3 321.377 1.964 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)Cn1cccn1 ZINC000265027650 204351927 /nfs/dbraw/zinc/35/19/27/204351927.db2.gz FWOFQUPWCSRDOK-GFCCVEGCSA-N 0 3 317.349 1.717 20 5 DDBDHN CN(C(=O)CN[C@@H]1CCC[C@@]1(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000351520807 284359413 /nfs/dbraw/zinc/35/94/13/284359413.db2.gz YLIBFNZHBSDXDG-ZBFHGGJFSA-N 0 3 321.377 1.698 20 5 DDBDHN Cc1[nH]nc(C(=O)[N-]c2nc3c(s2)C[C@@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC000288517546 220193488 /nfs/dbraw/zinc/19/34/88/220193488.db2.gz CKUBIJKFHOUOCJ-LURJTMIESA-N 0 3 322.350 1.151 20 5 DDBDHN COCCOCCOCCCNCc1cccc([N+](=O)[O-])c1 ZINC000274467916 211639709 /nfs/dbraw/zinc/63/97/09/211639709.db2.gz YRGYPVKJQANCCQ-UHFFFAOYSA-N 0 3 312.366 1.754 20 5 DDBDHN COC(=O)[C@]12CN(CCn3cc([N+](=O)[O-])cn3)C[C@H]1CCCC2 ZINC000284910328 218232101 /nfs/dbraw/zinc/23/21/01/218232101.db2.gz VFFCMHPWHLJAEK-IUODEOHRSA-N 0 3 322.365 1.457 20 5 DDBDHN CCOc1ccccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000579582374 422795673 /nfs/dbraw/zinc/79/56/73/422795673.db2.gz XURBOFMKBRHCDG-CQSZACIVSA-N 0 3 320.349 1.341 20 5 DDBDHN CC(=O)N1CCN(CCN[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000268845954 207012035 /nfs/dbraw/zinc/01/20/35/207012035.db2.gz VHRPFSFPFRKUTL-ZDUSSCGKSA-N 0 3 320.393 1.410 20 5 DDBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1 ZINC000066190713 184395726 /nfs/dbraw/zinc/39/57/26/184395726.db2.gz UTSNNXHARBNPSV-HNNXBMFYSA-N 0 3 318.377 1.975 20 5 DDBDHN CCN1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272964682 210349771 /nfs/dbraw/zinc/34/97/71/210349771.db2.gz UBHVTBYMRUXXHE-AWEZNQCLSA-N 0 3 323.393 1.362 20 5 DDBDHN CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000120308399 195139952 /nfs/dbraw/zinc/13/99/52/195139952.db2.gz KSVZMIUACWFSRM-UHFFFAOYSA-N 0 3 306.366 1.486 20 5 DDBDHN CN(C[C@@H](O)CN1CCOc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000352708228 285244464 /nfs/dbraw/zinc/24/44/64/285244464.db2.gz FOKFKODTDXQGEJ-OAHLLOKOSA-N 0 3 321.377 1.244 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000417186414 533221247 /nfs/dbraw/zinc/22/12/47/533221247.db2.gz SXMWDSSIJROIAW-MNOVXSKESA-N 0 3 322.365 1.495 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000569502911 304359487 /nfs/dbraw/zinc/35/94/87/304359487.db2.gz MELFLOVCSBXRAM-LNSITVRQSA-N 0 3 318.377 1.208 20 5 DDBDHN CC(C)N1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000078345058 407025662 /nfs/dbraw/zinc/02/56/62/407025662.db2.gz XFCKMYWTZDZCNA-UHFFFAOYSA-N 0 3 320.393 1.949 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CCCC[C@@H]1C ZINC000046859977 407064723 /nfs/dbraw/zinc/06/47/23/407064723.db2.gz LXXZMRROCPLQCD-NSHDSACASA-N 0 3 306.366 1.902 20 5 DDBDHN CCN1CCCC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000067706305 407280696 /nfs/dbraw/zinc/28/06/96/407280696.db2.gz RWKHBHNAMKGTMN-HNNXBMFYSA-N 0 3 320.393 1.997 20 5 DDBDHN C[C@H]1CC[C@@H](C(N)=O)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000103284076 407336219 /nfs/dbraw/zinc/33/62/19/407336219.db2.gz ILKCSPUSYCBXHT-NWDGAFQWSA-N 0 3 307.350 1.559 20 5 DDBDHN C[C@@H]1C[C@@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])CCN1C ZINC000127498289 407438487 /nfs/dbraw/zinc/43/84/87/407438487.db2.gz HVPMAKGSLRFCGD-OLZOCXBDSA-N 0 3 320.393 1.948 20 5 DDBDHN C[C@H]1C[C@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])CCN1C ZINC000127498092 407438722 /nfs/dbraw/zinc/43/87/22/407438722.db2.gz HVPMAKGSLRFCGD-QWHCGFSZSA-N 0 3 320.393 1.948 20 5 DDBDHN COC[C@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000127217050 407431163 /nfs/dbraw/zinc/43/11/63/407431163.db2.gz HMGCLXLHKMBGSU-CYBMUJFWSA-N 0 3 310.350 1.445 20 5 DDBDHN COCCCN1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000171125923 407603964 /nfs/dbraw/zinc/60/39/64/407603964.db2.gz GFOZORVBUWJGDQ-UHFFFAOYSA-N 0 3 321.377 1.826 20 5 DDBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000116346971 407746035 /nfs/dbraw/zinc/74/60/35/407746035.db2.gz QYMNWAUGCYCVCD-SECBINFHSA-N 0 3 319.408 1.371 20 5 DDBDHN CN(C)C[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000116788445 407777886 /nfs/dbraw/zinc/77/78/86/407777886.db2.gz YTVLYEUKMLPIJE-NPQIQWPPSA-N 0 3 319.361 1.397 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000153847617 407918124 /nfs/dbraw/zinc/91/81/24/407918124.db2.gz XWPOYHIRXDBXNN-GFCCVEGCSA-N 0 3 309.370 1.042 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272441349 407922831 /nfs/dbraw/zinc/92/28/31/407922831.db2.gz INGPOMKBVCEFHH-IUODEOHRSA-N 0 3 303.362 1.690 20 5 DDBDHN C[C@H](CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N(C)C ZINC000272952920 408017626 /nfs/dbraw/zinc/01/76/26/408017626.db2.gz GNPQYVYEJOCMMC-YGRLFVJLSA-N 0 3 320.349 1.154 20 5 DDBDHN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000273425649 408193091 /nfs/dbraw/zinc/19/30/91/408193091.db2.gz WKXCVILJHWMMLV-AAEUAGOBSA-N 0 3 320.349 1.419 20 5 DDBDHN C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CCN1CC(C)(C)O ZINC000189899960 408133121 /nfs/dbraw/zinc/13/31/21/408133121.db2.gz WGMFJVXYLFZBGQ-AWEZNQCLSA-N 0 3 321.421 1.914 20 5 DDBDHN Cn1cccc1[C@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000175492957 408145221 /nfs/dbraw/zinc/14/52/21/408145221.db2.gz AKJYTKNBPAHZKU-DZGCQCFKSA-N 0 3 319.365 1.328 20 5 DDBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN2CCC[C@H]2C1 ZINC000246206941 408176878 /nfs/dbraw/zinc/17/68/78/408176878.db2.gz AARMECHHBSQGDS-WFASDCNBSA-N 0 3 318.377 1.702 20 5 DDBDHN CCO[C@H]1C[C@H](O)C12CCN(CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000176261573 408327088 /nfs/dbraw/zinc/32/70/88/408327088.db2.gz WYFSTDWVBFYQJL-STQMWFEESA-N 0 3 324.381 1.043 20 5 DDBDHN CN1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000122310225 408280973 /nfs/dbraw/zinc/28/09/73/408280973.db2.gz OCEJLZKPTGEVSW-UHFFFAOYSA-N 0 3 316.361 1.783 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CCCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000269377380 408289279 /nfs/dbraw/zinc/28/92/79/408289279.db2.gz IKPVRSMUPILYLO-UHFFFAOYSA-N 0 3 323.397 1.998 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CCCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000269377380 408289284 /nfs/dbraw/zinc/28/92/84/408289284.db2.gz IKPVRSMUPILYLO-UHFFFAOYSA-N 0 3 323.397 1.998 20 5 DDBDHN O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1 ZINC000171441908 162217721 /nfs/dbraw/zinc/21/77/21/162217721.db2.gz QQRWRKHDFDPVQT-AWEZNQCLSA-N 0 3 319.361 1.670 20 5 DDBDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000176989627 408491037 /nfs/dbraw/zinc/49/10/37/408491037.db2.gz QMPVBLWYBQFYSK-ZYHUDNBSSA-N 0 3 304.350 1.486 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c(N)c([N+](=O)[O-])c1 ZINC000177007219 408495221 /nfs/dbraw/zinc/49/52/21/408495221.db2.gz KDVJCBOFNGHVND-NEPJUHHUSA-N 0 3 318.377 1.794 20 5 DDBDHN COc1cc(C(=O)NC[C@@H]2CCCN2C)cc([N+](=O)[O-])c1C ZINC000191714652 408475037 /nfs/dbraw/zinc/47/50/37/408475037.db2.gz AKFODJPOTGAIND-LBPRGKRZSA-N 0 3 307.350 1.736 20 5 DDBDHN C[C@@H]1CC(O)C[C@@H](C)N1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248697405 408617266 /nfs/dbraw/zinc/61/72/66/408617266.db2.gz ARTFGOJESFOSBV-YRGRVCCFSA-N 0 3 324.377 1.568 20 5 DDBDHN Cc1ccc(NC(=O)C(=O)NCCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000265363254 408624593 /nfs/dbraw/zinc/62/45/93/408624593.db2.gz FWQNUANYAIAJNI-UHFFFAOYSA-N 0 3 320.349 1.052 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1(N(C)C)CCC1 ZINC000275697674 408649425 /nfs/dbraw/zinc/64/94/25/408649425.db2.gz BGAJOIKWKIBNEC-UHFFFAOYSA-N 0 3 309.370 1.090 20 5 DDBDHN COc1cc(C(=O)N2CCN[C@H](C)[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000277434350 408940143 /nfs/dbraw/zinc/94/01/43/408940143.db2.gz CULVNWUKXWCPQP-NXEZZACHSA-N 0 3 323.349 1.434 20 5 DDBDHN CC(C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000283491104 409165183 /nfs/dbraw/zinc/16/51/83/409165183.db2.gz FEKZSLKCTLPNPD-SNVBAGLBSA-N 0 3 314.363 1.029 20 5 DDBDHN Cc1ccc(CNC[C@@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000290150702 409310270 /nfs/dbraw/zinc/31/02/70/409310270.db2.gz OVTNQOGCHHAHMJ-ZDUSSCGKSA-N 0 3 312.391 1.818 20 5 DDBDHN COc1cccc([C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000321784102 164045416 /nfs/dbraw/zinc/04/54/16/164045416.db2.gz IWVYPYURAVWQPT-FZMZJTMJSA-N 0 3 320.349 1.512 20 5 DDBDHN COc1ccc(CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000304323874 409605452 /nfs/dbraw/zinc/60/54/52/409605452.db2.gz MRDVLYVDTHDXKE-CQSZACIVSA-N 0 3 320.349 1.293 20 5 DDBDHN CC(C)(CN1CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000308678460 409784937 /nfs/dbraw/zinc/78/49/37/409784937.db2.gz SOKPCVRNGCQIIC-UHFFFAOYSA-N 0 3 306.366 1.781 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnn2CCN(C)C)c1 ZINC000297738394 409978366 /nfs/dbraw/zinc/97/83/66/409978366.db2.gz KNOJRZXTJZUOHW-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN CN(C)C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000332224785 409991513 /nfs/dbraw/zinc/99/15/13/409991513.db2.gz KIIRULYMIOGALQ-LBPRGKRZSA-N 0 3 319.365 1.234 20 5 DDBDHN CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000347004970 410306502 /nfs/dbraw/zinc/30/65/02/410306502.db2.gz KQGMVLTXUCCYCW-CQSZACIVSA-N 0 3 319.361 1.669 20 5 DDBDHN C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000337310864 410707959 /nfs/dbraw/zinc/70/79/59/410707959.db2.gz BOQVATCONKFUIF-STQMWFEESA-N 0 3 320.393 1.948 20 5 DDBDHN CN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CCN(C2CC2)C1 ZINC000355875729 410712760 /nfs/dbraw/zinc/71/27/60/410712760.db2.gz CVXUDNPZHOULKZ-LLVKDONJSA-N 0 3 304.350 1.486 20 5 DDBDHN CCOc1cc(N2CCO[C@H](CN(C)C)C2)ccc1[N+](=O)[O-] ZINC000301508352 410731313 /nfs/dbraw/zinc/73/13/13/410731313.db2.gz HRNPKHQRAICFMH-CYBMUJFWSA-N 0 3 309.366 1.760 20 5 DDBDHN CN1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)C2)C1 ZINC000356279247 410941384 /nfs/dbraw/zinc/94/13/84/410941384.db2.gz LJWPDHMAVAXMJQ-HNNXBMFYSA-N 0 3 319.365 1.130 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1CCC[C@@H]1OC(F)F ZINC000348519902 410994619 /nfs/dbraw/zinc/99/46/19/410994619.db2.gz GPBIHJBUDPGTPY-MNOVXSKESA-N 0 3 317.292 1.506 20 5 DDBDHN COC(=O)c1cc(C)nc(NC[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000341841961 411070620 /nfs/dbraw/zinc/07/06/20/411070620.db2.gz KOBXYTPCJJNQJE-SNVBAGLBSA-N 0 3 308.338 1.591 20 5 DDBDHN COC[C@]1(C)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296695821 226133294 /nfs/dbraw/zinc/13/32/94/226133294.db2.gz METGVWBEINTYQI-CZUORRHYSA-N 0 3 324.377 1.693 20 5 DDBDHN C[C@@H]1CN(c2ncccc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000374257139 418511076 /nfs/dbraw/zinc/51/10/76/418511076.db2.gz XZRGWZJBRIWOKU-CYBMUJFWSA-N 0 3 319.409 1.595 20 5 DDBDHN CCN1CCN(C[C@@H](C)CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000195509807 222203096 /nfs/dbraw/zinc/20/30/96/222203096.db2.gz PCUFFKHEAXZSJI-NSHDSACASA-N 0 3 313.427 1.737 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000375053876 418596441 /nfs/dbraw/zinc/59/64/41/418596441.db2.gz IJANSJJBAVLURK-BXUZGUMPSA-N 0 3 319.361 1.770 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@H](N)Cc2ccccc21 ZINC000387075509 418741515 /nfs/dbraw/zinc/74/15/15/418741515.db2.gz OCSWWIVORRIIBJ-LLVKDONJSA-N 0 3 300.318 1.464 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@](O)(C2CC2)C1 ZINC000365839609 418914401 /nfs/dbraw/zinc/91/44/01/418914401.db2.gz RWJVSIRUOVHXNT-XJKSGUPXSA-N 0 3 322.361 1.181 20 5 DDBDHN COCCNCCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417860703 419358321 /nfs/dbraw/zinc/35/83/21/419358321.db2.gz YVLLNJVSTDWCFC-GFCCVEGCSA-N 0 3 324.381 1.499 20 5 DDBDHN Cc1c(CC(=O)N2CCC[C@H]3CN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000425060763 228358162 /nfs/dbraw/zinc/35/81/62/228358162.db2.gz WYZMMWLINSZZMZ-GOEBONIOSA-N 0 3 317.389 1.998 20 5 DDBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CCCN1C ZINC000421002734 419439767 /nfs/dbraw/zinc/43/97/67/419439767.db2.gz MOXRGLXWLLBSRP-STQMWFEESA-N 0 3 320.393 1.948 20 5 DDBDHN CNC(=O)NC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000412057466 419604589 /nfs/dbraw/zinc/60/45/89/419604589.db2.gz XQFHAKCNEADXGK-UHFFFAOYSA-N 0 3 306.366 1.531 20 5 DDBDHN CC(C)N(CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC(=O)N1 ZINC000412092235 419649297 /nfs/dbraw/zinc/64/92/97/419649297.db2.gz VQULFMLJZZQHSR-ZDUSSCGKSA-N 0 3 321.377 1.963 20 5 DDBDHN C[C@@H]1COCC[C@@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000432235688 229089443 /nfs/dbraw/zinc/08/94/43/229089443.db2.gz LIQYHSSRJQIUKT-BYCMXARLSA-N 0 3 319.361 1.715 20 5 DDBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2CNCCO2)c1 ZINC000415099368 419943131 /nfs/dbraw/zinc/94/31/31/419943131.db2.gz YAKPPEPNUHGGMQ-LLVKDONJSA-N 0 3 317.292 1.274 20 5 DDBDHN CC1(C)CCCN[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423729226 420147774 /nfs/dbraw/zinc/14/77/74/420147774.db2.gz UQMTVWQWNWKYTE-GFCCVEGCSA-N 0 3 317.349 2.188 20 5 DDBDHN CNC(=O)c1ccc(N2CCC[C@H]3CN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000425277976 420337450 /nfs/dbraw/zinc/33/74/50/420337450.db2.gz DDFLUPFOSPZXNS-SWLSCSKDSA-N 0 3 318.377 1.485 20 5 DDBDHN CN1CC=C(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000492338595 420526938 /nfs/dbraw/zinc/52/69/38/420526938.db2.gz ABHIVMYIHFHTSD-DAXSKMNVSA-N 0 3 301.346 1.986 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCCN(CCCO)C2)n1 ZINC000450614361 420499603 /nfs/dbraw/zinc/49/96/03/420499603.db2.gz MZHZANWMBJKGJT-ZDUSSCGKSA-N 0 3 308.382 1.865 20 5 DDBDHN CNc1nc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455657475 421050482 /nfs/dbraw/zinc/05/04/82/421050482.db2.gz MFEZJUZEXLUVAZ-WDEREUQCSA-N 0 3 319.365 1.340 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CCCCN1CCO ZINC000449391035 421005358 /nfs/dbraw/zinc/00/53/58/421005358.db2.gz HLPSNAJDPCQIHA-MRXNPFEDSA-N 0 3 307.394 1.840 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCN1C ZINC000525620061 421293288 /nfs/dbraw/zinc/29/32/88/421293288.db2.gz ZESTYBXVEDMQJH-UWVGGRQHSA-N 0 3 321.333 1.536 20 5 DDBDHN CC(COC(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000496825173 421323310 /nfs/dbraw/zinc/32/33/10/421323310.db2.gz ABSHJXOJEWPYRF-RNCFNFMXSA-N 0 3 320.317 1.544 20 5 DDBDHN CC(COC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000497047702 421356114 /nfs/dbraw/zinc/35/61/14/421356114.db2.gz XJMCGHVJBSBGEF-BBBLOLIVSA-N 0 3 302.327 1.498 20 5 DDBDHN COc1c(C(=O)NC[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000527245580 421370324 /nfs/dbraw/zinc/37/03/24/421370324.db2.gz VHMZTUXBQIELQR-LLVKDONJSA-N 0 3 307.350 1.675 20 5 DDBDHN Cc1c(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cnn1C ZINC000517921949 421633710 /nfs/dbraw/zinc/63/37/10/421633710.db2.gz AJADUPTVDVZSGK-CYBMUJFWSA-N 0 3 320.349 1.166 20 5 DDBDHN COCc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000582100859 422108147 /nfs/dbraw/zinc/10/81/47/422108147.db2.gz BXILCDCULPOOBO-HNNXBMFYSA-N 0 3 320.349 1.088 20 5 DDBDHN C[C@H](NC1CC1)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000583260315 422158761 /nfs/dbraw/zinc/15/87/61/422158761.db2.gz OJEXMIWFUUFOJQ-VIFPVBQESA-N 0 3 315.333 2.064 20 5 DDBDHN CC1(C)CN[C@@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000592070578 422329694 /nfs/dbraw/zinc/32/96/94/422329694.db2.gz RMBHIKQTZYLLNI-CYBMUJFWSA-N 0 3 315.333 1.921 20 5 DDBDHN Nc1nccc(C(=O)NC[C@@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000594345124 422346565 /nfs/dbraw/zinc/34/65/65/422346565.db2.gz UEENKVZFCYAHFT-NSHDSACASA-N 0 3 319.365 1.319 20 5 DDBDHN CN(C)[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1ccsc1 ZINC000590571592 422321115 /nfs/dbraw/zinc/32/11/15/422321115.db2.gz SMMYETUMIRMJEG-LLVKDONJSA-N 0 3 307.379 2.348 20 5 DDBDHN Nc1nc(NC[C@@H]2CCN2C2CCCCC2)ncc1[N+](=O)[O-] ZINC000599125864 422402835 /nfs/dbraw/zinc/40/28/35/422402835.db2.gz DTECERYJSHIECY-NSHDSACASA-N 0 3 306.370 1.208 20 5 DDBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000344645343 272078780 /nfs/dbraw/zinc/07/87/80/272078780.db2.gz PDSUXDYYEZGEBC-GFCCVEGCSA-N 0 3 309.370 1.028 20 5 DDBDHN CC1(C)C[C@@H](NCC2(CO)COC2)c2cc([N+](=O)[O-])ccc21 ZINC000279151848 275859941 /nfs/dbraw/zinc/85/99/41/275859941.db2.gz SSICFVBNGALMSB-CQSZACIVSA-N 0 3 306.362 1.916 20 5 DDBDHN CN1CC[C@](O)(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000358061664 299061584 /nfs/dbraw/zinc/06/15/84/299061584.db2.gz HAKURBFZOLYZTI-ZDUSSCGKSA-N 0 3 313.741 1.045 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C[C@@H]21 ZINC000362290457 300044982 /nfs/dbraw/zinc/04/49/82/300044982.db2.gz RVCCBSIBDURWLK-GWCFXTLKSA-N 0 3 304.350 1.343 20 5 DDBDHN CN1C[C@@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]2C1 ZINC000362663732 300113104 /nfs/dbraw/zinc/11/31/04/300113104.db2.gz LTNMMIIVEMAHKZ-TXEJJXNPSA-N 0 3 315.333 1.643 20 5 DDBDHN CN1CCC[C@H](N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000362940574 300183488 /nfs/dbraw/zinc/18/34/88/300183488.db2.gz GMQFHPVMTOFILI-KRWDZBQOSA-N 0 3 318.421 1.807 20 5 DDBDHN Cn1cc(C[C@@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000363352643 300256067 /nfs/dbraw/zinc/25/60/67/300256067.db2.gz NHXLFWGFSAYPRF-LBPRGKRZSA-N 0 3 304.354 1.089 20 5 DDBDHN C[C@@H](NCc1c([N+](=O)[O-])ncn1C)[C@H]1COc2ccccc21 ZINC000363836612 300314835 /nfs/dbraw/zinc/31/48/35/300314835.db2.gz VBIHZVLPSODCCT-ZYHUDNBSSA-N 0 3 302.334 1.983 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C[C@H]21 ZINC000368596590 301061358 /nfs/dbraw/zinc/06/13/58/301061358.db2.gz VMBVMCJIFIDKHT-IINYFYTJSA-N 0 3 304.350 1.343 20 5 DDBDHN Nc1ccc([N+](=O)[O-])c(NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000369207579 301144979 /nfs/dbraw/zinc/14/49/79/301144979.db2.gz QBSUTUOUBFBXON-ZDUSSCGKSA-N 0 3 306.366 1.842 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000370445625 301340700 /nfs/dbraw/zinc/34/07/00/301340700.db2.gz WHMUTWSFPFXMPS-RISCZKNCSA-N 0 3 319.361 1.770 20 5 DDBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1N(C)C ZINC000535729417 303349975 /nfs/dbraw/zinc/34/99/75/303349975.db2.gz WIXVJABSVVLKLZ-RYUDHWBXSA-N 0 3 310.379 1.107 20 5 DDBDHN Cc1c(CN2CCN([C@H]3CCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000363738548 307034881 /nfs/dbraw/zinc/03/48/81/307034881.db2.gz ZCGYVODJTJMQTE-DLBZAZTESA-N 0 3 319.405 1.934 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN[C@@H]2c3ccccc3CC[C@@H]2CO)c1 ZINC000364584065 307048559 /nfs/dbraw/zinc/04/85/59/307048559.db2.gz PDMIDWNIPQNKLQ-CJNGLKHVSA-N 0 3 316.361 1.677 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)[C@@H]2C1 ZINC000367253620 307089749 /nfs/dbraw/zinc/08/97/49/307089749.db2.gz SQYSIDXJDYWSPB-LKFCYVNXSA-N 0 3 322.340 1.482 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](O)C2(CC2)C1 ZINC000368793733 307109839 /nfs/dbraw/zinc/10/98/39/307109839.db2.gz ZJROLWVVGQXEAM-AWEZNQCLSA-N 0 3 319.361 1.689 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000370997933 307140174 /nfs/dbraw/zinc/14/01/74/307140174.db2.gz KLUGQRORYKFZAE-XFDYKOMQSA-N 0 3 306.362 1.721 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC([C@H]3CCOC3)C2)c1 ZINC000373641293 307193771 /nfs/dbraw/zinc/19/37/71/307193771.db2.gz SAPXWOUKISEMND-SWLSCSKDSA-N 0 3 322.361 1.303 20 5 DDBDHN C[C@@H]([NH3+])[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000381423079 325741910 /nfs/dbraw/zinc/74/19/10/325741910.db2.gz AXZWTPMDMQYXBR-RNFRBKRXSA-N 0 3 307.759 1.262 20 5 DDBDHN CN(C)C1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000581775555 325914574 /nfs/dbraw/zinc/91/45/74/325914574.db2.gz DEDHQFXGASPVIP-UHFFFAOYSA-N 0 3 307.306 1.148 20 5 DDBDHN CC[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccncc1 ZINC000582778298 337153643 /nfs/dbraw/zinc/15/36/43/337153643.db2.gz PZTLDDIQPKLLLL-ZIAGYGMSSA-N 0 3 305.338 1.288 20 5 DDBDHN COC(=O)c1cc(NC(=O)[C@H](N)C2CCC2)cc([N+](=O)[O-])c1 ZINC000423003513 533883947 /nfs/dbraw/zinc/88/39/47/533883947.db2.gz MOLXTVKPSIIYHY-GFCCVEGCSA-N 0 3 307.306 1.447 20 5 DDBDHN COc1cc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000293009847 533884713 /nfs/dbraw/zinc/88/47/13/533884713.db2.gz NVIAFXMYTJEFJR-ZUZCIYMTSA-N 0 3 310.350 1.950 20 5 DDBDHN CC(C)(CO)[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000293000286 527216423 /nfs/dbraw/zinc/21/64/23/527216423.db2.gz IYQQWCVHHOXAFF-AWEZNQCLSA-N 0 3 321.377 1.580 20 5 DDBDHN CCO[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000451522230 527763203 /nfs/dbraw/zinc/76/32/03/527763203.db2.gz AWNKHJSKUMDDHU-TZMCWYRMSA-N 0 3 309.366 1.503 20 5 DDBDHN O=[N+]([O-])c1ccnn1CN1CCCN(Cc2ccccc2)CC1 ZINC000123295192 696730558 /nfs/dbraw/zinc/73/05/58/696730558.db2.gz FGBNBTDOZCQMPJ-UHFFFAOYSA-N 0 3 315.377 1.957 20 5 DDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000108298495 696633474 /nfs/dbraw/zinc/63/34/74/696633474.db2.gz NDQRTCFYLXDGDM-LBPRGKRZSA-N 0 3 307.325 1.948 20 5 DDBDHN C[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000195157982 697732581 /nfs/dbraw/zinc/73/25/81/697732581.db2.gz CDONLMAPKWWTGA-NSHDSACASA-N 0 3 306.366 1.781 20 5 DDBDHN Cc1cc(C(=O)NC[C@@H](C)N2CCCC2)c(N)c([N+](=O)[O-])c1 ZINC000729520144 699481264 /nfs/dbraw/zinc/48/12/64/699481264.db2.gz OKJCSOSGTPVDFN-LLVKDONJSA-N 0 3 306.366 1.700 20 5 DDBDHN Cc1cccc([C@@H](CC(=O)OCC(C)[N+](=O)[O-])NC(N)=O)c1 ZINC000813102402 702290760 /nfs/dbraw/zinc/29/07/60/702290760.db2.gz QYDUGOPXSYZJOK-ZYHUDNBSSA-N 0 3 309.322 1.303 20 5 DDBDHN Cc1c(CC(=O)OCC(C)[N+](=O)[O-])nnn1-c1ccccc1 ZINC000813104513 702292278 /nfs/dbraw/zinc/29/22/78/702292278.db2.gz NPXLUXDGUHWHGK-JTQLQIEISA-N 0 3 304.306 1.327 20 5 DDBDHN CC(COC(=O)CCc1nnc(-c2ccsc2)o1)[N+](=O)[O-] ZINC000813104115 702292300 /nfs/dbraw/zinc/29/23/00/702292300.db2.gz KCJKPZMYZHNCFF-QMMMGPOBSA-N 0 3 311.319 1.939 20 5 DDBDHN Cc1cc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)ccc1F ZINC000813108142 702294378 /nfs/dbraw/zinc/29/43/78/702294378.db2.gz BBWMQPIBSJIOGW-WDEREUQCSA-N 0 3 324.308 1.695 20 5 DDBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)[N+](=O)[O-] ZINC000813109819 702296533 /nfs/dbraw/zinc/29/65/33/702296533.db2.gz WQUPMDFXUJYGAV-VHSXEESVSA-N 0 3 310.281 1.387 20 5 DDBDHN CC(COC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)[N+](=O)[O-] ZINC000813112064 702297266 /nfs/dbraw/zinc/29/72/66/702297266.db2.gz MYCAPZMSRUDZHW-SNVBAGLBSA-N 0 3 320.301 1.158 20 5 DDBDHN CCN1CCN(c2ccc(C(=O)OC[C@@H](C)[N+](=O)[O-])cc2)CC1 ZINC000813110913 702297405 /nfs/dbraw/zinc/29/74/05/702297405.db2.gz LVOYCXDGZYTLGI-CYBMUJFWSA-N 0 3 321.377 1.651 20 5 DDBDHN CC(COC(=O)Cn1nc(-c2ccccc2)ccc1=O)[N+](=O)[O-] ZINC000813114893 702299435 /nfs/dbraw/zinc/29/94/35/702299435.db2.gz IMFNBLAWTRETHX-LLVKDONJSA-N 0 3 317.301 1.119 20 5 DDBDHN COCCN(CCN(C)C)C(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000843791243 702924698 /nfs/dbraw/zinc/92/46/98/702924698.db2.gz PXICLKXFRNVFIZ-UHFFFAOYSA-N 0 3 324.381 1.136 20 5 DDBDHN CC([C@@H](OC(=O)CS(C)(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845875531 703211287 /nfs/dbraw/zinc/21/12/87/703211287.db2.gz NDIOPYHLJWTSHZ-QPUJVOFHSA-N 0 3 319.310 1.120 20 5 DDBDHN CC(COC(=O)COc1ccc(Br)cn1)[N+](=O)[O-] ZINC000870378872 704015367 /nfs/dbraw/zinc/01/53/67/704015367.db2.gz ZAAJMSYSWFQIBI-SSDOTTSWSA-N 0 3 319.111 1.431 20 5 DDBDHN CCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000855360254 704480616 /nfs/dbraw/zinc/48/06/16/704480616.db2.gz DFCZGCNYHHGSFU-ZIAGYGMSSA-N 0 3 307.350 1.181 20 5 DDBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])c([N+](=O)[O-])cc1F ZINC000835456965 707255781 /nfs/dbraw/zinc/25/57/81/707255781.db2.gz VGTJRTZZIFDXME-LURJTMIESA-N 0 3 302.214 1.565 20 5 DDBDHN C[C@@H]1c2sccc2CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880377834 706956461 /nfs/dbraw/zinc/95/64/61/706956461.db2.gz GMMNFRWPBVZAQK-ZWNOBZJWSA-N 0 3 322.390 1.833 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@H]1CCCN2CCO ZINC000897222771 708260402 /nfs/dbraw/zinc/26/04/02/708260402.db2.gz XMKVGCYVANMTET-UONOGXRCSA-N 0 3 305.378 1.939 20 5 DDBDHN COC(=O)[C@@H]1CC12CCN(Cc1cccnc1[N+](=O)[O-])CC2 ZINC000886010941 708681723 /nfs/dbraw/zinc/68/17/23/708681723.db2.gz SWVFQBUHERIZCS-LBPRGKRZSA-N 0 3 305.334 1.765 20 5 DDBDHN CC(C)(O)CN(Cc1cccnc1[N+](=O)[O-])C1CCOCC1 ZINC000886036048 708686496 /nfs/dbraw/zinc/68/64/96/708686496.db2.gz SOWNNFZUDXTQRI-UHFFFAOYSA-N 0 3 309.366 1.742 20 5 DDBDHN C[C@H](NCC[N+](=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000905084054 711931207 /nfs/dbraw/zinc/93/12/07/711931207.db2.gz YTPLNLHSBANVKW-LBPRGKRZSA-N 0 3 310.373 1.505 20 5 DDBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2COC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000905864732 712169149 /nfs/dbraw/zinc/16/91/49/712169149.db2.gz FTAJOIXJCNTKFP-GAFUQQFSSA-N 0 3 307.350 1.855 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1COC[C@@H]1C1CC1)OCCO2 ZINC000914433374 713394991 /nfs/dbraw/zinc/39/49/91/713394991.db2.gz OKWNYJZTDFRPHZ-CHWSQXEVSA-N 0 3 320.345 1.881 20 5 DDBDHN CN1CCC[C@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000932072782 714252606 /nfs/dbraw/zinc/25/26/06/714252606.db2.gz ZJUJYOCVVYEWFS-ZDUSSCGKSA-N 0 3 309.341 1.877 20 5 DDBDHN COC[C@@H](C)OC[C@@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932178369 714279880 /nfs/dbraw/zinc/27/98/80/714279880.db2.gz ZMVNOKNCWLRJBS-JMSVASOKSA-N 0 3 312.366 1.658 20 5 DDBDHN NC(=O)[C@]12CCC[C@H]1CN(Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000933760088 714666009 /nfs/dbraw/zinc/66/60/09/714666009.db2.gz OIKGAUTZLHWKBD-NHYWBVRUSA-N 0 3 307.325 1.821 20 5 DDBDHN CCOc1cc(CN(CC)CCC(=O)NC)ccc1[N+](=O)[O-] ZINC000933863441 714686142 /nfs/dbraw/zinc/68/61/42/714686142.db2.gz YYONNMFPWIKWHV-UHFFFAOYSA-N 0 3 309.366 1.952 20 5 DDBDHN Cc1ccc(CN2CCN(C)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000933993911 714717726 /nfs/dbraw/zinc/71/77/26/714717726.db2.gz RRQKCMNAAWPFBK-UHFFFAOYSA-N 0 3 306.410 1.582 20 5 DDBDHN CN(C)CCN(C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000934007704 714721436 /nfs/dbraw/zinc/72/14/36/714721436.db2.gz IPJGVVYVLCAZHH-UHFFFAOYSA-N 0 3 318.736 1.603 20 5 DDBDHN Cc1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)ncn1 ZINC001125761467 735532620 /nfs/dbraw/zinc/53/26/20/735532620.db2.gz KUJMJIOAZMJBDL-UHFFFAOYSA-N 0 3 315.333 1.213 20 5 DDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(Cc3cccnc3)CC2)C1 ZINC001169009698 762178001 /nfs/dbraw/zinc/17/80/01/762178001.db2.gz XHNXMEIAZKBSRF-GDBMZVCRSA-N 0 3 304.394 1.645 20 5 DDBDHN Cc1ccc(N2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169037235 762192606 /nfs/dbraw/zinc/19/26/06/762192606.db2.gz RGWNCWDKZKFRIK-HUUCEWRRSA-N 0 3 304.394 1.957 20 5 DDBDHN COC(=O)c1n[nH]cc1Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001169575909 762520679 /nfs/dbraw/zinc/52/06/79/762520679.db2.gz ZESPUOKSBXVZIU-UHFFFAOYSA-N 0 3 303.278 1.451 20 5 DDBDHN COc1ccc(C[C@@H](C)NCC(=O)NCC(C)C)c([N+](=O)[O-])c1 ZINC001170306211 766224670 /nfs/dbraw/zinc/22/46/70/766224670.db2.gz RVQJRQAWWKOLRU-GFCCVEGCSA-N 0 3 323.393 1.896 20 5 DDBDHN CCN(CC)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001097030118 771601427 /nfs/dbraw/zinc/60/14/27/771601427.db2.gz QRMZERBKXUUZQI-HAQNSBGRSA-N 0 3 321.381 1.391 20 5 DDBDHN CCCN(C)CC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001148638715 773561569 /nfs/dbraw/zinc/56/15/69/773561569.db2.gz OLAOURMPFHSYGM-UHFFFAOYSA-N 0 3 314.411 1.204 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)CN2CCCC2)c1 ZINC001101633201 777328695 /nfs/dbraw/zinc/32/86/95/777328695.db2.gz DEXSSENQKLNVGH-UHFFFAOYSA-N 0 3 320.393 1.869 20 5 DDBDHN CN(CCNc1ccccc1[N+](=O)[O-])C(=O)CN1CCCC1 ZINC001101633464 777330519 /nfs/dbraw/zinc/33/05/19/777330519.db2.gz SQZZYARTZCUZHO-UHFFFAOYSA-N 0 3 306.366 1.561 20 5 DDBDHN CCOC(=O)[C@@H]1C[C@H]1CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001175323485 777751031 /nfs/dbraw/zinc/75/10/31/777751031.db2.gz MWRJIJVVBZUNQY-PEYYIBSZSA-N 0 3 322.361 1.591 20 5 DDBDHN Cn1cccc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001154712213 861385127 /nfs/dbraw/zinc/38/51/27/861385127.db2.gz MJAPWVAVHUDNDZ-UHFFFAOYSA-N 0 3 316.361 1.843 20 5 DDBDHN C[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC001121931336 858638537 /nfs/dbraw/zinc/63/85/37/858638537.db2.gz KVMKYGLJOVNOFP-MNOVXSKESA-N 0 3 309.341 1.875 20 5 DDBDHN CC(C)CN1CCN(c2nnc(C[N+](=O)[O-])n2CC2CC2)CC1 ZINC001123413684 859224717 /nfs/dbraw/zinc/22/47/17/859224717.db2.gz RVRLEBYGSWFBFD-UHFFFAOYSA-N 0 3 322.413 1.243 20 5 DDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001154022540 864332641 /nfs/dbraw/zinc/33/26/41/864332641.db2.gz LBJNKABUFLTMNJ-SFYZADRCSA-N 0 3 313.745 1.280 20 5 DDBDHN COc1cc2ncnc(-n3ccc([C@@H](C)N)n3)c2cc1[N+](=O)[O-] ZINC001158351406 864596905 /nfs/dbraw/zinc/59/69/05/864596905.db2.gz ZSCNDTICDUGJSY-MRVPVSSYSA-N 0 3 314.305 1.752 20 5 DDBDHN C[C@H](Nc1ncnc2cc([N+](=O)[O-])ccc21)[C@H]1CNCCO1 ZINC001159496018 865346481 /nfs/dbraw/zinc/34/64/81/865346481.db2.gz IADFXAKUNOQMDD-TVQRCGJNSA-N 0 3 303.322 1.327 20 5 DDBDHN Cc1ncc([N+](=O)[O-])c(-n2nc(-c3ccncc3)cc2CN)n1 ZINC001160337845 865789265 /nfs/dbraw/zinc/78/92/65/865789265.db2.gz NLOLEOFYLOKYSQ-UHFFFAOYSA-N 0 3 311.305 1.400 20 5 DDBDHN O=[N+]([O-])c1cc(-c2nc(-c3ccc4c(n3)CCNC4)no2)ccn1 ZINC001213025600 866082459 /nfs/dbraw/zinc/08/24/59/866082459.db2.gz JQNORNWQDSDTGV-UHFFFAOYSA-N 0 3 324.300 1.748 20 5 DDBDHN Cn1cncc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001161913741 867093352 /nfs/dbraw/zinc/09/33/52/867093352.db2.gz QAAUNYLOMCAPJW-UHFFFAOYSA-N 0 3 323.378 1.300 20 5 DDBDHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)c1cn[nH]n1 ZINC001322589916 868266625 /nfs/dbraw/zinc/26/66/25/868266625.db2.gz CHJMUCAYBFTUTA-UHFFFAOYSA-N 0 3 324.366 1.026 20 5 DDBDHN CCC(C)(C)C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001165566396 869641161 /nfs/dbraw/zinc/64/11/61/869641161.db2.gz UDSDBHSZJQBHFO-UHFFFAOYSA-N 0 3 311.386 1.360 20 5 DDBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CCNC[C@@H]2F)n1 ZINC001205219627 871437190 /nfs/dbraw/zinc/43/71/90/871437190.db2.gz SKJUGTHOYRSUQN-SFYZADRCSA-N 0 3 311.248 1.594 20 5 DDBDHN O=C(N[C@H]1COC2(CNC2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001342216886 872076541 /nfs/dbraw/zinc/07/65/41/872076541.db2.gz XMRBWRCSSQBSPR-SECBINFHSA-N 0 3 311.725 1.109 20 5 DDBDHN CO[C@@H]1CCN(CCOc2nc3c(cccc3[N+](=O)[O-])o2)C1 ZINC001227236383 882924601 /nfs/dbraw/zinc/92/46/01/882924601.db2.gz SILWLVHBSDGJPQ-SNVBAGLBSA-N 0 3 307.306 1.836 20 5 DDBDHN Cc1cccc2c(OC(=O)C[C@@H](O)C[N+](C)(C)C)[n-]c(=O)nc12 ZINC001229404414 883965231 /nfs/dbraw/zinc/96/52/31/883965231.db2.gz GIDGGNHTMGTJSI-LLVKDONJSA-O 0 3 320.369 1.006 20 5 DDBDHN N=c1sc2c(n1[C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CCNC2 ZINC001254603732 896527475 /nfs/dbraw/zinc/52/74/75/896527475.db2.gz QKWWRSGUTRPRRW-LBPRGKRZSA-N 0 3 316.386 1.923 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CC1)CNCCO2 ZINC001263223890 900539843 /nfs/dbraw/zinc/53/98/43/900539843.db2.gz VRNHUNWNHSEVNK-UHFFFAOYSA-N 0 3 319.361 1.498 20 5 DDBDHN CCc1n[nH]c(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000278571652 214245566 /nfs/dbraw/zinc/24/55/66/214245566.db2.gz KNSRYTXLAWUNOK-UWVGGRQHSA-N 0 3 309.370 1.435 20 5 DDBDHN CCc1[nH]nc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000278571652 214245568 /nfs/dbraw/zinc/24/55/68/214245568.db2.gz KNSRYTXLAWUNOK-UWVGGRQHSA-N 0 3 309.370 1.435 20 5 DDBDHN CS[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270490041 295671338 /nfs/dbraw/zinc/67/13/38/295671338.db2.gz OGUYTCVSNYLOLZ-OLZOCXBDSA-N 0 3 309.391 1.712 20 5 DDBDHN Cc1nc(N2CCN(C3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278648423 214300985 /nfs/dbraw/zinc/30/09/85/214300985.db2.gz DKSIJIXMLYTYAB-LBPRGKRZSA-N 0 3 320.393 1.988 20 5 DDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451629620 231144260 /nfs/dbraw/zinc/14/42/60/231144260.db2.gz KJAULPFUSAKPPH-TYNCELHUSA-N 0 3 318.377 1.558 20 5 DDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCN1CCCO ZINC000452366034 231362772 /nfs/dbraw/zinc/36/27/72/231362772.db2.gz OGUDFUXMQMJROY-HNNXBMFYSA-N 0 3 321.377 1.100 20 5 DDBDHN CCO[C@@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000090550318 185302246 /nfs/dbraw/zinc/30/22/46/185302246.db2.gz SVLIWMZTHGHALV-ZIAGYGMSSA-N 0 3 323.393 1.892 20 5 DDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266191721 282300866 /nfs/dbraw/zinc/30/08/66/282300866.db2.gz MMRWKOBSPZODQD-CQSZACIVSA-N 0 3 305.378 1.938 20 5 DDBDHN CN1CCC(NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000492092615 530049834 /nfs/dbraw/zinc/04/98/34/530049834.db2.gz YHPKTFKLHDBMER-HWKANZROSA-N 0 3 307.325 1.958 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491889105 530057140 /nfs/dbraw/zinc/05/71/40/530057140.db2.gz UURSUSVHMRGDDF-SCXUMTSISA-N 0 3 307.325 1.958 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491889104 530063011 /nfs/dbraw/zinc/06/30/11/530063011.db2.gz UURSUSVHMRGDDF-IYNGYCSASA-N 0 3 307.325 1.958 20 5 DDBDHN CCOC[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181943819 199366773 /nfs/dbraw/zinc/36/67/73/199366773.db2.gz ILUOZQZLESQXEL-KGLIPLIRSA-N 0 3 324.377 1.693 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000358391866 299140440 /nfs/dbraw/zinc/14/04/40/299140440.db2.gz ITIQALUXLALPCD-ZYHUDNBSSA-N 0 3 309.341 1.875 20 5 DDBDHN CC[C@]1(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCOC1 ZINC000616866109 362853909 /nfs/dbraw/zinc/85/39/09/362853909.db2.gz OLUZSEYQMCMCNM-INIZCTEOSA-N 0 3 319.361 1.643 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCN(C)C2CC2)n1 ZINC000286995002 219259670 /nfs/dbraw/zinc/25/96/70/219259670.db2.gz UHDYWBPAFCSRAY-UHFFFAOYSA-N 0 3 308.338 1.307 20 5 DDBDHN Cc1c(NC(=O)NC[C@@]2(O)CCN(C)C2)cccc1[N+](=O)[O-] ZINC000358444987 299153681 /nfs/dbraw/zinc/15/36/81/299153681.db2.gz WSFLGYIXUXMIBL-AWEZNQCLSA-N 0 3 308.338 1.091 20 5 DDBDHN CN1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000279956608 215268214 /nfs/dbraw/zinc/26/82/14/215268214.db2.gz ZQRSQRVPTYRVPQ-UHFFFAOYSA-N 0 3 318.377 1.121 20 5 DDBDHN COCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000152411959 186069972 /nfs/dbraw/zinc/06/99/72/186069972.db2.gz WXOOBVFQPQUXEZ-UHFFFAOYSA-N 0 3 309.366 1.601 20 5 DDBDHN CC(C)N1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272441891 209845580 /nfs/dbraw/zinc/84/55/80/209845580.db2.gz MOIAQYDCXSMDHP-UHFFFAOYSA-N 0 3 306.366 1.733 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181883873 186214790 /nfs/dbraw/zinc/21/47/90/186214790.db2.gz HQTWBPQFXXAAQZ-SNVBAGLBSA-N 0 3 307.306 1.148 20 5 DDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCNS(C)(=O)=O ZINC000344841947 282847410 /nfs/dbraw/zinc/84/74/10/282847410.db2.gz FBYPKXALMYYOLW-DHZHZOJOSA-N 0 3 313.379 1.137 20 5 DDBDHN C[C@H]1CCCCN1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000060670051 352878669 /nfs/dbraw/zinc/87/86/69/352878669.db2.gz KLTUWDHVYUVGKW-ZDUSSCGKSA-N 0 3 321.377 1.964 20 5 DDBDHN C[C@@H]1[C@@H](C)N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000331908263 234262152 /nfs/dbraw/zinc/26/21/52/234262152.db2.gz ALQZSRQGYVHPQL-NXEZZACHSA-N 0 3 317.349 1.636 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(C(F)(F)F)CC2)c1 ZINC000174190715 198303640 /nfs/dbraw/zinc/30/36/40/198303640.db2.gz ZENARTSZJNURAG-LLVKDONJSA-N 0 3 322.287 1.427 20 5 DDBDHN COC1CCN(CCNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000079772801 353576705 /nfs/dbraw/zinc/57/67/05/353576705.db2.gz DQYKHGSGYUZYBK-UHFFFAOYSA-N 0 3 322.365 1.827 20 5 DDBDHN Cc1n[nH]c(C(=O)N[C@H]2CCN(CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000081290876 353660780 /nfs/dbraw/zinc/66/07/80/353660780.db2.gz XVCXXIHSRXECRV-LBPRGKRZSA-N 0 3 321.381 1.621 20 5 DDBDHN O=[N+]([O-])c1ccc2ncnc(NCCN3CCC(O)CC3)c2c1 ZINC000322371041 354536440 /nfs/dbraw/zinc/53/64/40/354536440.db2.gz ZKFJDCZOSAWHCH-UHFFFAOYSA-N 0 3 317.349 1.407 20 5 DDBDHN C[C@@H](CSc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C)N(C)C ZINC000358852414 291055766 /nfs/dbraw/zinc/05/57/66/291055766.db2.gz WIJRQAPRGIDQLI-VIFPVBQESA-N 0 3 322.390 1.884 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc3c(c2)CNC3)n1 ZINC000591682087 355361988 /nfs/dbraw/zinc/36/19/88/355361988.db2.gz XLGAWJLZWRQUQC-UHFFFAOYSA-N 0 3 315.333 1.344 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000591686263 355362304 /nfs/dbraw/zinc/36/23/04/355362304.db2.gz ZQADVSKXSQUVMC-RYUDHWBXSA-N 0 3 309.341 1.950 20 5 DDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000592525476 355612631 /nfs/dbraw/zinc/61/26/31/355612631.db2.gz OCBPUOZMDXZDRK-LBPRGKRZSA-N 0 3 306.366 1.147 20 5 DDBDHN Cc1n[nH]c(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594418450 356203942 /nfs/dbraw/zinc/20/39/42/356203942.db2.gz JBAFFCZSRDJNJH-QWRGUYRKSA-N 0 3 307.354 1.373 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@H](C)[NH+](C)C ZINC000594817926 356327004 /nfs/dbraw/zinc/32/70/04/356327004.db2.gz WDWMVEVMAIWCIT-NSHDSACASA-N 0 3 315.395 1.522 20 5 DDBDHN COC(=O)[C@@H]1C[C@H]1[C@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000594919354 356354212 /nfs/dbraw/zinc/35/42/12/356354212.db2.gz YIAJGQDGBQSXRD-ZMLRMANQSA-N 0 3 308.334 1.891 20 5 DDBDHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000594919352 356354398 /nfs/dbraw/zinc/35/43/98/356354398.db2.gz YIAJGQDGBQSXRD-MVWJERBFSA-N 0 3 308.334 1.891 20 5 DDBDHN COCCN1CC[C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595019554 356373101 /nfs/dbraw/zinc/37/31/01/356373101.db2.gz QXZWBVXBCNAQGA-CHWSQXEVSA-N 0 3 323.393 1.975 20 5 DDBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000595734851 356627505 /nfs/dbraw/zinc/62/75/05/356627505.db2.gz CCNCDPOVGGYQCJ-GFCCVEGCSA-N 0 3 323.349 1.271 20 5 DDBDHN CCN1CCN(CCNc2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000596075099 356763592 /nfs/dbraw/zinc/76/35/92/356763592.db2.gz YUTSLXFHLCLXFL-UHFFFAOYSA-N 0 3 308.382 1.653 20 5 DDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000597859616 357361056 /nfs/dbraw/zinc/36/10/56/357361056.db2.gz WITWWHKSYVYJDB-JTQLQIEISA-N 0 3 306.366 1.780 20 5 DDBDHN CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCN(CC)C1 ZINC000598042565 357439083 /nfs/dbraw/zinc/43/90/83/357439083.db2.gz PSFJWMCSRNONPV-CYBMUJFWSA-N 0 3 321.377 1.916 20 5 DDBDHN O=[N+]([O-])c1cnc2ccccc2c1NCCN1CC[C@H](O)C1 ZINC000599199468 357848009 /nfs/dbraw/zinc/84/80/09/357848009.db2.gz LPSGVMSQCJCSPY-NSHDSACASA-N 0 3 302.334 1.043 20 5 DDBDHN CCCN(C)CC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601775615 358689712 /nfs/dbraw/zinc/68/97/12/358689712.db2.gz GMVPMGCBAMOCIP-HNNXBMFYSA-N 0 3 309.366 1.260 20 5 DDBDHN O=[N+]([O-])c1nccn1C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000601965308 358755978 /nfs/dbraw/zinc/75/59/78/358755978.db2.gz UAPAUJNZAZIPRZ-OAHLLOKOSA-N 0 3 302.334 1.428 20 5 DDBDHN CC(C)[C@@H](NCc1cn(C)nc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000602835932 359226786 /nfs/dbraw/zinc/22/67/86/359226786.db2.gz ALTWBEZSPJWDGL-CYBMUJFWSA-N 0 3 310.398 1.995 20 5 DDBDHN CS[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000602797269 359198944 /nfs/dbraw/zinc/19/89/44/359198944.db2.gz IBPQQAYJLGVXTI-NWDGAFQWSA-N 0 3 313.427 1.077 20 5 DDBDHN Cn1cc(CN[C@H]2CCN(C)[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602822940 359217241 /nfs/dbraw/zinc/21/72/41/359217241.db2.gz HJXFEDOHUVNYHR-LSDHHAIUSA-N 0 3 315.377 1.863 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCN2CCC(C)CC2)n1 ZINC000281060984 216053122 /nfs/dbraw/zinc/05/31/22/216053122.db2.gz YUVGJJKJTKKQSH-UHFFFAOYSA-N 0 3 322.365 1.920 20 5 DDBDHN COc1ccc(CNC[C@H]2CNc3ccnn3C2)cc1[N+](=O)[O-] ZINC000609406689 360304402 /nfs/dbraw/zinc/30/44/02/360304402.db2.gz HRQYWDQGGDXEHS-LBPRGKRZSA-N 0 3 317.349 1.631 20 5 DDBDHN CNC(=O)[C@]1(C)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000281208481 216153591 /nfs/dbraw/zinc/15/35/91/216153591.db2.gz SHYKSTFTRNIZQO-OAHLLOKOSA-N 0 3 307.350 1.432 20 5 DDBDHN CN(CC(=O)N[C@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC000610292836 360410999 /nfs/dbraw/zinc/41/09/99/360410999.db2.gz QJOJKEIKAZPASC-LBPRGKRZSA-N 0 3 306.366 1.241 20 5 DDBDHN CC1(C)[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000271899459 209308349 /nfs/dbraw/zinc/30/83/49/209308349.db2.gz VHSVESKTYMEWJP-COLVAYQJSA-N 0 3 319.361 1.936 20 5 DDBDHN O=[N+]([O-])c1cnc(N2CCCN(C[C@@H]3CCCO3)CC2)nc1 ZINC000612778501 361142552 /nfs/dbraw/zinc/14/25/52/361142552.db2.gz LVZLZLUYQLTMEU-ZDUSSCGKSA-N 0 3 307.354 1.076 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC(C)(C)[NH3+])c1 ZINC000193296111 201023418 /nfs/dbraw/zinc/02/34/18/201023418.db2.gz NLOVISDQFPKDJV-UHFFFAOYSA-N 0 3 321.786 1.572 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC[NH2+]C1CC1 ZINC000036267500 248183638 /nfs/dbraw/zinc/18/36/38/248183638.db2.gz MDZDSYMSVGSQNB-UHFFFAOYSA-N 0 3 313.379 1.324 20 5 DDBDHN CCN(CCCNCc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000038035485 182975477 /nfs/dbraw/zinc/97/54/77/182975477.db2.gz PVIFTLMQPPCYBX-UHFFFAOYSA-N 0 3 315.395 1.356 20 5 DDBDHN CN1CC=C(CNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000271865282 209278399 /nfs/dbraw/zinc/27/83/99/209278399.db2.gz JCTHCFDCNNYAMF-UHFFFAOYSA-N 0 3 318.377 1.698 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC(=O)NC1(C)C ZINC000338593847 250046429 /nfs/dbraw/zinc/04/64/29/250046429.db2.gz VDVUSJJYSFGTSV-CYBMUJFWSA-N 0 3 307.350 1.750 20 5 DDBDHN CCN1CCC(N(C)C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000105599438 194113522 /nfs/dbraw/zinc/11/35/22/194113522.db2.gz OKSJZGNUGCGQBZ-UHFFFAOYSA-N 0 3 320.393 1.949 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCN1CCCOCC1 ZINC000567406527 304217863 /nfs/dbraw/zinc/21/78/63/304217863.db2.gz LEZBUPLKZHCCGD-HNNXBMFYSA-N 0 3 305.378 1.894 20 5 DDBDHN Cc1ccc([C@@H](C)NC[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000268847713 207014319 /nfs/dbraw/zinc/01/43/19/207014319.db2.gz BQBWEFGGCYOTGC-HIFRSBDPSA-N 0 3 306.410 1.800 20 5 DDBDHN CNCc1cccc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)c1 ZINC000269137007 207267239 /nfs/dbraw/zinc/26/72/39/207267239.db2.gz TXFHYJSAMLHPQQ-UHFFFAOYSA-N 0 3 317.349 1.848 20 5 DDBDHN COCCOC[C@@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000294887108 533109402 /nfs/dbraw/zinc/10/94/02/533109402.db2.gz CQZMAJFVUMBAGI-OCCSQVGLSA-N 0 3 312.366 1.578 20 5 DDBDHN COc1ccc(CNCCN2CCCOCC2)cc1[N+](=O)[O-] ZINC000289406901 220949721 /nfs/dbraw/zinc/94/97/21/220949721.db2.gz HFMXRTUXOWGUBG-UHFFFAOYSA-N 0 3 309.366 1.415 20 5 DDBDHN O=[N+]([O-])c1ccccc1/C=C/CNCCN1CCC(O)CC1 ZINC000294902106 224297116 /nfs/dbraw/zinc/29/71/16/224297116.db2.gz RRFUUHQQJOMHEZ-HWKANZROSA-N 0 3 305.378 1.654 20 5 DDBDHN CN1CC[C@H](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000352914892 285384344 /nfs/dbraw/zinc/38/43/44/285384344.db2.gz MSIUHKSGNYGFSV-JTQLQIEISA-N 0 3 304.306 1.363 20 5 DDBDHN CC(C)COC(=O)N1CCC(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000496856226 307364880 /nfs/dbraw/zinc/36/48/80/307364880.db2.gz KJGFMXZBJHEVMV-NSHDSACASA-N 0 3 316.354 1.699 20 5 DDBDHN CCN(CC)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000028051020 406915450 /nfs/dbraw/zinc/91/54/50/406915450.db2.gz JFCNQFXXMUSYOH-UHFFFAOYSA-N 0 3 301.368 1.215 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C[NH3+])C2CC2)cc1C ZINC000087384296 407120738 /nfs/dbraw/zinc/12/07/38/407120738.db2.gz ZZTAVGFTBLXQEP-LLVKDONJSA-N 0 3 313.379 1.227 20 5 DDBDHN C[C@H]1CCCN(CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102332302 407321568 /nfs/dbraw/zinc/32/15/68/407321568.db2.gz VKHAWOBRMHBUEZ-LBPRGKRZSA-N 0 3 323.397 1.375 20 5 DDBDHN CN(CCN1CCCC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000103115835 407331054 /nfs/dbraw/zinc/33/10/54/407331054.db2.gz MHJLIYXJAQLAQV-UHFFFAOYSA-N 0 3 306.366 1.561 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000101631741 407312939 /nfs/dbraw/zinc/31/29/39/407312939.db2.gz HYXZZGUQFIYTNJ-GFCCVEGCSA-N 0 3 307.350 1.818 20 5 DDBDHN O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000124534597 407361695 /nfs/dbraw/zinc/36/16/95/407361695.db2.gz HSRURJWYTQPABB-NSHDSACASA-N 0 3 305.338 1.692 20 5 DDBDHN C[C@H]1CCCCN1CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124627602 407364112 /nfs/dbraw/zinc/36/41/12/407364112.db2.gz SKHYEUGYGRHBQM-NSHDSACASA-N 0 3 307.354 1.986 20 5 DDBDHN CN1CCC(O)(CNCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000265897552 407502982 /nfs/dbraw/zinc/50/29/82/407502982.db2.gz UAPXEYWABHAKSH-UHFFFAOYSA-N 0 3 313.785 1.795 20 5 DDBDHN CC(C)N(CCN(C)C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000151891907 407522731 /nfs/dbraw/zinc/52/27/31/407522731.db2.gz ISMNWKDYOCIALP-UHFFFAOYSA-N 0 3 309.366 1.772 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC1(CO)CCOCC1 ZINC000227210516 407628417 /nfs/dbraw/zinc/62/84/17/407628417.db2.gz DFSIAYUUVBLCON-UHFFFAOYSA-N 0 3 300.742 1.879 20 5 DDBDHN CCN(CCNC(=O)NCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000266791222 407634907 /nfs/dbraw/zinc/63/49/07/407634907.db2.gz SOYQKJIRAYWMDA-UHFFFAOYSA-N 0 3 320.393 1.921 20 5 DDBDHN [NH3+]C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000230052691 407678262 /nfs/dbraw/zinc/67/82/62/407678262.db2.gz WKYDVKMQBLMLDG-UHFFFAOYSA-N 0 3 319.770 1.408 20 5 DDBDHN CN1CC=C(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000272049784 407756139 /nfs/dbraw/zinc/75/61/39/407756139.db2.gz ZCOMKRRTESDFEO-UHFFFAOYSA-N 0 3 318.377 1.775 20 5 DDBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)CN1C1CC1 ZINC000133535421 407855570 /nfs/dbraw/zinc/85/55/70/407855570.db2.gz DVHHENDGNCALHP-BDAKNGLRSA-N 0 3 305.338 1.126 20 5 DDBDHN CCOc1ccc([C@H](C)NC[C@H](O)CN(C)C)cc1[N+](=O)[O-] ZINC000153666949 407873664 /nfs/dbraw/zinc/87/36/64/407873664.db2.gz SZUHGZYVQCRGRR-AAEUAGOBSA-N 0 3 311.382 1.567 20 5 DDBDHN CN(C)CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272556764 407982080 /nfs/dbraw/zinc/98/20/80/407982080.db2.gz RRBGVUJEHDUNNB-UHFFFAOYSA-N 0 3 314.773 1.652 20 5 DDBDHN COC(=O)CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000154273032 408009482 /nfs/dbraw/zinc/00/94/82/408009482.db2.gz XXGDULIAXUFTMA-AWEZNQCLSA-N 0 3 310.350 1.902 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000119705833 408102442 /nfs/dbraw/zinc/10/24/42/408102442.db2.gz GPFDVGZTEISBTE-NSHDSACASA-N 0 3 307.354 1.029 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000119718298 408108446 /nfs/dbraw/zinc/10/84/46/408108446.db2.gz QLQRBTJNFHRUJJ-LBPRGKRZSA-N 0 3 321.381 1.419 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000269333247 408271790 /nfs/dbraw/zinc/27/17/90/408271790.db2.gz ATGZKHRKRVHBSG-MNOVXSKESA-N 0 3 323.397 1.996 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000269333247 408271796 /nfs/dbraw/zinc/27/17/96/408271796.db2.gz ATGZKHRKRVHBSG-MNOVXSKESA-N 0 3 323.397 1.996 20 5 DDBDHN COc1ccc(OCCN2CC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183197054 408350751 /nfs/dbraw/zinc/35/07/51/408350751.db2.gz MVDYXJUNXOXCFN-NWDGAFQWSA-N 0 3 310.350 1.685 20 5 DDBDHN O=C([C@H]1CCCCN1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169186400 162183539 /nfs/dbraw/zinc/18/35/39/162183539.db2.gz BSVKOPACJLWSRI-WCQYABFASA-N 0 3 319.365 1.145 20 5 DDBDHN CCO[C@H]1C[C@@H](O)C12CCN(CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000174873101 162436013 /nfs/dbraw/zinc/43/60/13/162436013.db2.gz MSPHBJAGDIAIIL-KGLIPLIRSA-N 0 3 324.381 1.043 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CN1C1CC1 ZINC000177081898 408513677 /nfs/dbraw/zinc/51/36/77/408513677.db2.gz XZISOKHRSOTQCL-WPRPVWTQSA-N 0 3 322.340 1.671 20 5 DDBDHN CCN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000183961673 408518209 /nfs/dbraw/zinc/51/82/09/408518209.db2.gz QDIIVWSBWNFPHS-UHFFFAOYSA-N 0 3 315.757 1.292 20 5 DDBDHN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000162807142 408735295 /nfs/dbraw/zinc/73/52/95/408735295.db2.gz IQXDGRQOCSKJBO-DGCLKSJQSA-N 0 3 319.361 1.499 20 5 DDBDHN CCN(CCO)CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000185338475 408797505 /nfs/dbraw/zinc/79/75/05/408797505.db2.gz KKZIFZPUZSYYOF-UHFFFAOYSA-N 0 3 310.354 1.339 20 5 DDBDHN Cc1cc(OCC(=O)N(C)[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000281799354 408931645 /nfs/dbraw/zinc/93/16/45/408931645.db2.gz VGWZIRIIGSBSIT-ZDUSSCGKSA-N 0 3 321.377 1.835 20 5 DDBDHN CC(C)N(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000291992231 408957651 /nfs/dbraw/zinc/95/76/51/408957651.db2.gz WXKLQIDYYJDNME-KGLIPLIRSA-N 0 3 324.377 1.834 20 5 DDBDHN COC[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000279011174 409131469 /nfs/dbraw/zinc/13/14/69/409131469.db2.gz FKOSCPJOQDOQDD-CABCVRRESA-N 0 3 310.350 1.757 20 5 DDBDHN Cc1cccc(C(=O)NCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000294312440 409275933 /nfs/dbraw/zinc/27/59/33/409275933.db2.gz XUGXDKMRDNWTGM-UHFFFAOYSA-N 0 3 320.393 1.271 20 5 DDBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280291605 409286726 /nfs/dbraw/zinc/28/67/26/409286726.db2.gz FFEQEONMFCTILK-AWEZNQCLSA-N 0 3 317.349 1.340 20 5 DDBDHN COc1ccc(NC(=O)CN[C@@H]2CCOC2(C)C)c([N+](=O)[O-])c1 ZINC000295244173 409394567 /nfs/dbraw/zinc/39/45/67/409394567.db2.gz PRXZRWGYBQXPAV-CYBMUJFWSA-N 0 3 323.349 1.699 20 5 DDBDHN CCOC1CC(O)(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000285374825 409418407 /nfs/dbraw/zinc/41/84/07/409418407.db2.gz WDPLCGHZLTUKQC-VLRKGOCCSA-N 0 3 309.366 1.758 20 5 DDBDHN CCCN1CCC(N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290609288 409460987 /nfs/dbraw/zinc/46/09/87/409460987.db2.gz KAYFSFKGZJLKDM-UHFFFAOYSA-N 0 3 321.381 1.399 20 5 DDBDHN CNc1c(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000317286341 164027239 /nfs/dbraw/zinc/02/72/39/164027239.db2.gz KMXJZRUAOOBCEG-MNOVXSKESA-N 0 3 306.366 1.849 20 5 DDBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(CCCO)C1 ZINC000296475512 409578259 /nfs/dbraw/zinc/57/82/59/409578259.db2.gz WIFXFQSFDKCCOG-CYBMUJFWSA-N 0 3 322.365 1.563 20 5 DDBDHN C[C@H]([NH2+]CCCOC(=O)N=C(N)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000296832075 409654639 /nfs/dbraw/zinc/65/46/39/409654639.db2.gz WPXPRWFRPOYGDJ-VIFPVBQESA-N 0 3 310.310 1.440 20 5 DDBDHN C[C@H]([NH2+]CCCOC([O-])=NC(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000296832075 409654648 /nfs/dbraw/zinc/65/46/48/409654648.db2.gz WPXPRWFRPOYGDJ-VIFPVBQESA-N 0 3 310.310 1.440 20 5 DDBDHN C[NH+](C)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])n[n-]2)cc1F ZINC000354396829 409824909 /nfs/dbraw/zinc/82/49/09/409824909.db2.gz VOOJYGSQSXIOTE-UHFFFAOYSA-N 0 3 321.312 1.449 20 5 DDBDHN C[C@@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000320717985 409907591 /nfs/dbraw/zinc/90/75/91/409907591.db2.gz VIUGNXFYXFWDCM-SFYZADRCSA-N 0 3 321.786 1.652 20 5 DDBDHN CC(C)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332283308 410038888 /nfs/dbraw/zinc/03/88/88/410038888.db2.gz YNACQVLHPOXFND-UHFFFAOYSA-N 0 3 303.366 1.997 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)CN(C)C ZINC000357598059 410123925 /nfs/dbraw/zinc/12/39/25/410123925.db2.gz RWCMCBJDUIKQJL-SNVBAGLBSA-N 0 3 322.365 1.216 20 5 DDBDHN COC(=O)c1cnc(N[C@@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000357701773 410196611 /nfs/dbraw/zinc/19/66/11/410196611.db2.gz XSIILHYNWIWGGS-GXSJLCMTSA-N 0 3 308.338 1.671 20 5 DDBDHN CCCCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000351963927 410375625 /nfs/dbraw/zinc/37/56/25/410375625.db2.gz IIOHUWIVMVKKQP-NSHDSACASA-N 0 3 309.370 1.702 20 5 DDBDHN COc1ccc(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343525036 410508350 /nfs/dbraw/zinc/50/83/50/410508350.db2.gz LSZZEVSEIMJNMJ-ZYHUDNBSSA-N 0 3 307.350 1.816 20 5 DDBDHN CN(C)CC[C@](C)(O)CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000352118217 410492084 /nfs/dbraw/zinc/49/20/84/410492084.db2.gz AHDBUIFTUNPKDO-INIZCTEOSA-N 0 3 323.393 1.346 20 5 DDBDHN CCCN1CCC[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000343612963 410571953 /nfs/dbraw/zinc/57/19/53/410571953.db2.gz QCVLGYBJAQXARA-CQSZACIVSA-N 0 3 321.377 1.964 20 5 DDBDHN C[C@H](CN(C)C)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000343792081 410702862 /nfs/dbraw/zinc/70/28/62/410702862.db2.gz MXVIGPLTOPKJGL-SNVBAGLBSA-N 0 3 306.366 1.849 20 5 DDBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000360022755 411007791 /nfs/dbraw/zinc/00/77/91/411007791.db2.gz INVVPSCQAHYASD-LLVKDONJSA-N 0 3 315.395 1.603 20 5 DDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417931717 225508851 /nfs/dbraw/zinc/50/88/51/225508851.db2.gz CERXWWVYFLVHCQ-NWDGAFQWSA-N 0 3 306.366 1.529 20 5 DDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000366126626 418430687 /nfs/dbraw/zinc/43/06/87/418430687.db2.gz NURIXZWEIIGTIJ-YPMHNXCESA-N 0 3 304.350 1.689 20 5 DDBDHN CN1CC[C@@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375052763 418596344 /nfs/dbraw/zinc/59/63/44/418596344.db2.gz ZLZVUUFUZYGOEC-YGRLFVJLSA-N 0 3 304.350 1.224 20 5 DDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000367836210 418643392 /nfs/dbraw/zinc/64/33/92/418643392.db2.gz RTQOLCUZXMFHDJ-JIMOISOXSA-N 0 3 303.318 1.250 20 5 DDBDHN C[C@H]1COCCN1CCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375610813 418661636 /nfs/dbraw/zinc/66/16/36/418661636.db2.gz HDTQXXZUGZGHKB-UONOGXRCSA-N 0 3 323.397 1.149 20 5 DDBDHN CC[C@H]1[C@@H](CO)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000385849878 418737980 /nfs/dbraw/zinc/73/79/80/418737980.db2.gz XKTKIJCYDLWFLX-OLZOCXBDSA-N 0 3 307.350 1.287 20 5 DDBDHN COc1c(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000425057728 228357203 /nfs/dbraw/zinc/35/72/03/228357203.db2.gz BLXZZEPFJKCQNB-SMDDNHRTSA-N 0 3 319.361 1.770 20 5 DDBDHN C[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000417937368 419400017 /nfs/dbraw/zinc/40/00/17/419400017.db2.gz IMAAQKVEFFHHDT-NEPJUHHUSA-N 0 3 306.366 1.529 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H]2CCO)c1 ZINC000426254577 419420313 /nfs/dbraw/zinc/42/03/13/419420313.db2.gz DZLRASKILOYYJZ-OCCSQVGLSA-N 0 3 310.350 1.181 20 5 DDBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@H]1CCCN1C ZINC000421009412 419446917 /nfs/dbraw/zinc/44/69/17/419446917.db2.gz QAXQJPDJGVWYRK-SWLSCSKDSA-N 0 3 320.393 1.948 20 5 DDBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CNCCC1(F)F ZINC000415491580 420089156 /nfs/dbraw/zinc/08/91/56/420089156.db2.gz BAFHFUAGBZFHEC-JTQLQIEISA-N 0 3 300.265 1.714 20 5 DDBDHN C[C@@H]1CCN[C@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000423830170 420214854 /nfs/dbraw/zinc/21/48/54/420214854.db2.gz TWKWKVXVBANWRW-YPMHNXCESA-N 0 3 321.381 1.343 20 5 DDBDHN CCOc1ccc(NC(=O)CN2CCN[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000420332145 420216091 /nfs/dbraw/zinc/21/60/91/420216091.db2.gz GEDFZGSBZMBEAO-LLVKDONJSA-N 0 3 322.365 1.226 20 5 DDBDHN CCc1ccccc1[C@@H](N)CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000423979047 420290253 /nfs/dbraw/zinc/29/02/53/420290253.db2.gz OYDMHLSGMVTLOE-ZDUSSCGKSA-N 0 3 302.334 1.915 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])c1 ZINC000420469944 420305662 /nfs/dbraw/zinc/30/56/62/420305662.db2.gz WHHASRKAJPJZNT-GFCCVEGCSA-N 0 3 315.395 1.555 20 5 DDBDHN NC(=O)c1cccc([N+](=O)[O-])c1N1CC[C@H](N2CCCCC2)C1 ZINC000420606609 420328986 /nfs/dbraw/zinc/32/89/86/420328986.db2.gz XRUSEPAUIOJOGJ-LBPRGKRZSA-N 0 3 318.377 1.758 20 5 DDBDHN CN(C[C@H]1CCCN1C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000420802937 420396310 /nfs/dbraw/zinc/39/63/10/420396310.db2.gz SMTSJETYNHFPAC-CQSZACIVSA-N 0 3 320.393 1.873 20 5 DDBDHN CNc1c(C(=O)NCCNc2ccncc2)cccc1[N+](=O)[O-] ZINC000361375958 299856238 /nfs/dbraw/zinc/85/62/38/299856238.db2.gz KZMCLWIZLCJAEB-UHFFFAOYSA-N 0 3 315.333 1.295 20 5 DDBDHN CC(C)(C(=O)NCCN1CCCC1(C)C)n1cc([N+](=O)[O-])cn1 ZINC000457071755 420602892 /nfs/dbraw/zinc/60/28/92/420602892.db2.gz IHDMBFBQZURILT-UHFFFAOYSA-N 0 3 323.397 1.517 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCN1CCN(C)C(C)(C)C1 ZINC000440652386 420593842 /nfs/dbraw/zinc/59/38/42/420593842.db2.gz MSSGTUOTSRAESZ-UHFFFAOYSA-N 0 3 324.429 1.558 20 5 DDBDHN C[C@H]1C[C@@H](O)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000452068431 420620370 /nfs/dbraw/zinc/62/03/70/420620370.db2.gz NYJKOKVLTPWQKH-NWDGAFQWSA-N 0 3 307.350 1.626 20 5 DDBDHN O=C(/C=C\c1ccccc1[N+](=O)[O-])N[C@@H]1CNCCC1(F)F ZINC000493447394 420852404 /nfs/dbraw/zinc/85/24/04/420852404.db2.gz GJUJRMDRXBGXKC-FOQNGQEVSA-N 0 3 311.288 1.721 20 5 DDBDHN CNc1nc(C(=O)N[C@@H](CC(C)C)CN(C)C)ccc1[N+](=O)[O-] ZINC000455013090 420957752 /nfs/dbraw/zinc/95/77/52/420957752.db2.gz FXTAVHDMQNSYST-NSHDSACASA-N 0 3 323.397 1.738 20 5 DDBDHN Cc1c(CNC(=O)N2C[C@H]3CCN(C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000454849591 420933217 /nfs/dbraw/zinc/93/32/17/420933217.db2.gz FPHZWXRTWUEYDD-HIFRSBDPSA-N 0 3 318.377 1.749 20 5 DDBDHN CNc1nc(C(=O)N(C)CCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000456071494 421095888 /nfs/dbraw/zinc/09/58/88/421095888.db2.gz RZYVEFVZDJANDL-UHFFFAOYSA-N 0 3 307.354 1.198 20 5 DDBDHN CNc1nc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)ccc1[N+](=O)[O-] ZINC000455810273 421065011 /nfs/dbraw/zinc/06/50/11/421065011.db2.gz KREITOCPLSASEX-MNOVXSKESA-N 0 3 319.365 1.340 20 5 DDBDHN COc1cc(CNC[C@@H](O)C2CCC2)c([N+](=O)[O-])cc1OC ZINC000449741905 421070923 /nfs/dbraw/zinc/07/09/23/421070923.db2.gz XBJHTUJOCKAYMF-CYBMUJFWSA-N 0 3 310.350 1.863 20 5 DDBDHN CNc1nc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000455906631 421075410 /nfs/dbraw/zinc/07/54/10/421075410.db2.gz GLAYHKVWDQNKHC-PWSUYJOCSA-N 0 3 321.381 1.490 20 5 DDBDHN CN(C)CCOc1cnccc1CNc1ccc([N+](=O)[O-])nc1 ZINC000450529104 421206737 /nfs/dbraw/zinc/20/67/37/421206737.db2.gz SPMLGQADCKRMBT-UHFFFAOYSA-N 0 3 317.349 1.937 20 5 DDBDHN Cc1[nH]nc(C(=O)N2CCCN(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000523685365 421246351 /nfs/dbraw/zinc/24/63/51/421246351.db2.gz UGSGVNSUUSFOLY-UHFFFAOYSA-N 0 3 309.370 1.573 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CCCN(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000523685365 421246353 /nfs/dbraw/zinc/24/63/53/421246353.db2.gz UGSGVNSUUSFOLY-UHFFFAOYSA-N 0 3 309.370 1.573 20 5 DDBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2c[nH]nc2[N+](=O)[O-])o1 ZINC000548085141 421399059 /nfs/dbraw/zinc/39/90/59/421399059.db2.gz MQEINRIYHMEFOQ-UHFFFAOYSA-N 0 3 321.337 1.423 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@H]1CN ZINC000563170475 421467363 /nfs/dbraw/zinc/46/73/63/421467363.db2.gz SBTFETPCRYHVHE-OAHLLOKOSA-N 0 3 314.345 1.632 20 5 DDBDHN CC[C@H](C)[C@H](N)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000518188551 421642976 /nfs/dbraw/zinc/64/29/76/421642976.db2.gz WYRKRYHMQOOBTR-GWCFXTLKSA-N 0 3 309.370 1.328 20 5 DDBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000539792261 421752527 /nfs/dbraw/zinc/75/25/27/421752527.db2.gz CXGLFJCTHOCHLH-LLVKDONJSA-N 0 3 306.366 1.792 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000522059811 421813709 /nfs/dbraw/zinc/81/37/09/421813709.db2.gz BSPXMYOBYMILCC-UHFFFAOYSA-N 0 3 319.296 1.365 20 5 DDBDHN CC(C)c1ccc(C(=O)N2CCN(C)C[C@H]2CN)cc1[N+](=O)[O-] ZINC000583563633 422184400 /nfs/dbraw/zinc/18/44/00/422184400.db2.gz MVNVORXABBEIDM-CYBMUJFWSA-N 0 3 320.393 1.433 20 5 DDBDHN CC(C)C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])N(C)C ZINC000594295005 422343815 /nfs/dbraw/zinc/34/38/15/422343815.db2.gz ITBXASOCNWFDAS-JTQLQIEISA-N 0 3 309.370 1.278 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](O)[C@@H]1CCOC1)CCC2 ZINC000578721515 422629014 /nfs/dbraw/zinc/62/90/14/422629014.db2.gz QQRDIMCGUFJWGS-DAXOMENPSA-N 0 3 306.362 1.959 20 5 DDBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCCNC1=O ZINC000295084876 274206519 /nfs/dbraw/zinc/20/65/19/274206519.db2.gz QTQGOUDWYKMSQY-GWCFXTLKSA-N 0 3 320.349 1.180 20 5 DDBDHN Cc1c(C(=O)N2CCCNCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000237743299 274659399 /nfs/dbraw/zinc/65/93/99/274659399.db2.gz OKHUDUNXLBTTIL-UHFFFAOYSA-N 0 3 308.294 1.247 20 5 DDBDHN O=[N+]([O-])c1cccc2c1ccnc2N1CCCN(CCO)CC1 ZINC000450313217 275039615 /nfs/dbraw/zinc/03/96/15/275039615.db2.gz KNRLWLCGETYOEX-UHFFFAOYSA-N 0 3 316.361 1.647 20 5 DDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000286630295 289043682 /nfs/dbraw/zinc/04/36/82/289043682.db2.gz AVRIPBJJNKZIAW-GHMZBOCLSA-N 0 3 307.354 1.027 20 5 DDBDHN CCN(C)CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000354022928 298342280 /nfs/dbraw/zinc/34/22/80/298342280.db2.gz VBPRSKXRRZPYJB-UHFFFAOYSA-N 0 3 317.349 1.462 20 5 DDBDHN Nc1ccc(NC2CCN([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000367837393 300894522 /nfs/dbraw/zinc/89/45/22/300894522.db2.gz XDBNTBZVHAMUKN-ZDUSSCGKSA-N 0 3 306.366 1.842 20 5 DDBDHN C[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000371350443 301454326 /nfs/dbraw/zinc/45/43/26/301454326.db2.gz RZNLTGNBIGBKAX-ZIAGYGMSSA-N 0 3 319.409 1.452 20 5 DDBDHN N[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC000399178224 302365441 /nfs/dbraw/zinc/36/54/41/302365441.db2.gz IJZHIYSWDWBQSL-HNNXBMFYSA-N 0 3 318.377 1.371 20 5 DDBDHN C[C@@H](C[NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000447243320 302395374 /nfs/dbraw/zinc/39/53/74/302395374.db2.gz ARZAFZNTUIYNHR-ZETCQYMHSA-N 0 3 307.759 1.121 20 5 DDBDHN CC(C)OC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000530686028 303208579 /nfs/dbraw/zinc/20/85/79/303208579.db2.gz APFAOCGOYMQHLH-CYBMUJFWSA-N 0 3 312.370 1.042 20 5 DDBDHN CN(Cc1c(F)cccc1[N+](=O)[O-])C1CCN(CCO)CC1 ZINC000357652320 306902926 /nfs/dbraw/zinc/90/29/26/306902926.db2.gz UOCUXFQYCAJVMK-UHFFFAOYSA-N 0 3 311.357 1.622 20 5 DDBDHN CN(C)CC1(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCC1 ZINC000545252243 303487001 /nfs/dbraw/zinc/48/70/01/303487001.db2.gz GAJBZMBBTUKOJP-UHFFFAOYSA-N 0 3 321.333 1.538 20 5 DDBDHN Cn1nccc1CCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367251988 307089829 /nfs/dbraw/zinc/08/98/29/307089829.db2.gz KGQMPTCMFRULJQ-CYBMUJFWSA-N 0 3 304.354 1.404 20 5 DDBDHN CCN1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000367442730 307093631 /nfs/dbraw/zinc/09/36/31/307093631.db2.gz KGZHLONKWASHDB-UHFFFAOYSA-N 0 3 317.349 1.776 20 5 DDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCN2CCC1CC2 ZINC000377107637 307263230 /nfs/dbraw/zinc/26/32/30/307263230.db2.gz VNROGHFNDNSXLJ-UHFFFAOYSA-N 0 3 318.377 1.627 20 5 DDBDHN CN(C(=O)c1ccc([N+](=O)[O-])cn1)C(C)(C)CN1CCCC1 ZINC000575234656 308273436 /nfs/dbraw/zinc/27/34/36/308273436.db2.gz PLDLDZJKRBWKJN-UHFFFAOYSA-N 0 3 306.366 1.936 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCSC3)CC2)cn1 ZINC000579065712 308503521 /nfs/dbraw/zinc/50/35/21/308503521.db2.gz BNLYLARAYLZBOV-GFCCVEGCSA-N 0 3 308.407 1.865 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCSC3)CC2)cn1 ZINC000579065713 308503631 /nfs/dbraw/zinc/50/36/31/308503631.db2.gz BNLYLARAYLZBOV-LBPRGKRZSA-N 0 3 308.407 1.865 20 5 DDBDHN C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](C)[NH3+] ZINC000381458350 325741553 /nfs/dbraw/zinc/74/15/53/325741553.db2.gz IKAHYZYJRATJIA-NKWVEPMBSA-N 0 3 307.759 1.262 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000157918744 527414220 /nfs/dbraw/zinc/41/42/20/527414220.db2.gz WUFWFEURDZEYAX-CQSZACIVSA-N 0 3 301.350 1.978 20 5 DDBDHN CCOCC[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000444657234 528863743 /nfs/dbraw/zinc/86/37/43/528863743.db2.gz KBVXXSFWOBKWDQ-TZMCWYRMSA-N 0 3 324.381 1.264 20 5 DDBDHN C[C@@H]1CCC[N@@H+]1CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820715715 599084454 /nfs/dbraw/zinc/08/44/54/599084454.db2.gz DNGHYCJVMXTLAG-SNVBAGLBSA-N 0 3 317.353 1.671 20 5 DDBDHN C[C@@H]1CCC[N@H+]1CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820715715 599084456 /nfs/dbraw/zinc/08/44/56/599084456.db2.gz DNGHYCJVMXTLAG-SNVBAGLBSA-N 0 3 317.353 1.671 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCS[C@H]3COCC[C@H]32)cc1 ZINC000776587133 698122518 /nfs/dbraw/zinc/12/25/18/698122518.db2.gz ULYPECVAELXWFB-KFWWJZLASA-N 0 3 324.402 1.835 20 5 DDBDHN O=C1[C@@H](N[C@@H](CO)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000771812339 701332358 /nfs/dbraw/zinc/33/23/58/701332358.db2.gz HMLNNPYFCUEOOS-KBPBESRZSA-N 0 3 305.334 1.061 20 5 DDBDHN CCN(CC)CCS(=O)(=O)Oc1cccc([N+](=O)[O-])c1C ZINC000810041796 701714861 /nfs/dbraw/zinc/71/48/61/701714861.db2.gz CLZPFTOVGMKHGC-UHFFFAOYSA-N 0 3 316.379 1.954 20 5 DDBDHN COC(=O)[C@]1(C)CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839668351 701773629 /nfs/dbraw/zinc/77/36/29/701773629.db2.gz ZRGXFQMRYHLJCZ-GDBMZVCRSA-N 0 3 322.361 1.903 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000816952049 702235038 /nfs/dbraw/zinc/23/50/38/702235038.db2.gz BEMWUXMHGRUYJB-SDBXPKJASA-N 0 3 308.313 1.092 20 5 DDBDHN Cc1nc(-c2ncccn2)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103002 702290938 /nfs/dbraw/zinc/29/09/38/702290938.db2.gz XXRJUPHRPYTZFA-SSDOTTSWSA-N 0 3 308.319 1.731 20 5 DDBDHN CCC(CC)[C@@H](C(=O)OCC(C)[N+](=O)[O-])N1CCOCC1 ZINC000813103786 702292112 /nfs/dbraw/zinc/29/21/12/702292112.db2.gz TZTHIKATGJGSNG-AAEUAGOBSA-N 0 3 302.371 1.332 20 5 DDBDHN CCn1c2ccccc2n(CC(=O)OCC(C)[N+](=O)[O-])c1=O ZINC000813107758 702294400 /nfs/dbraw/zinc/29/44/00/702294400.db2.gz VUPUHZXKKQDLJT-SNVBAGLBSA-N 0 3 307.306 1.031 20 5 DDBDHN CC(COC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)[N+](=O)[O-] ZINC000813111053 702297324 /nfs/dbraw/zinc/29/73/24/702297324.db2.gz BGESUJZVFWAMRW-ZETCQYMHSA-N 0 3 321.738 1.566 20 5 DDBDHN CC(COC(=O)c1ccc(-n2cnnn2)cc1Cl)[N+](=O)[O-] ZINC000813111091 702297363 /nfs/dbraw/zinc/29/73/63/702297363.db2.gz CECQOUVNYURRDN-ZETCQYMHSA-N 0 3 311.685 1.138 20 5 DDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879533662 706710822 /nfs/dbraw/zinc/71/08/22/706710822.db2.gz IOJLESWFFJSPPJ-JLLWLGSASA-N 0 3 303.318 1.202 20 5 DDBDHN CC([C@H](OC(=O)CS(C)(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845875528 703211394 /nfs/dbraw/zinc/21/13/94/703211394.db2.gz NDIOPYHLJWTSHZ-PELKAZGASA-N 0 3 319.310 1.120 20 5 DDBDHN CC(COC(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F)[N+](=O)[O-] ZINC000851036358 703774899 /nfs/dbraw/zinc/77/48/99/703774899.db2.gz IFGPQGSWOCIKNX-HLTSFMKQSA-N 0 3 315.244 1.179 20 5 DDBDHN CN(CC1CN(C)C1)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000853825973 704322137 /nfs/dbraw/zinc/32/21/37/704322137.db2.gz YTFGUMAYDCCELF-UHFFFAOYSA-N 0 3 320.349 1.549 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000823100737 705139644 /nfs/dbraw/zinc/13/96/44/705139644.db2.gz IHNCATLRNQNNMQ-JSGCOSHPSA-N 0 3 303.362 1.988 20 5 DDBDHN CO[C@@]1(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOC1 ZINC000876530028 705747821 /nfs/dbraw/zinc/74/78/21/705747821.db2.gz IYXVBTXWEYTUFF-MRXNPFEDSA-N 0 3 321.377 1.522 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](c2ccccn2)C1 ZINC000878553787 706425889 /nfs/dbraw/zinc/42/58/89/706425889.db2.gz RUNVCLBSDZQOJO-CYBMUJFWSA-N 0 3 301.350 1.984 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCC(=O)N1CCOCC1 ZINC000873017971 707695782 /nfs/dbraw/zinc/69/57/82/707695782.db2.gz NGXJGLGSAVOBNV-UHFFFAOYSA-N 0 3 321.377 1.550 20 5 DDBDHN Cc1c(CNC[C@@H]2CCCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000873127199 707742116 /nfs/dbraw/zinc/74/21/16/707742116.db2.gz ONYHNDPCTOUFRP-LBPRGKRZSA-N 0 3 312.391 1.818 20 5 DDBDHN COc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000897219633 708257227 /nfs/dbraw/zinc/25/72/27/708257227.db2.gz MEXGMYHIKGALJH-STQMWFEESA-N 0 3 322.365 1.034 20 5 DDBDHN Cc1cc(N2CC[C@H]3[C@@H]2CCCN3CCO)ncc1[N+](=O)[O-] ZINC000897220418 708258585 /nfs/dbraw/zinc/25/85/85/708258585.db2.gz AYBTWJRBMLILOM-STQMWFEESA-N 0 3 306.366 1.334 20 5 DDBDHN CN(CCCN1CCN(C)CC1)Cc1cccnc1[N+](=O)[O-] ZINC000886091627 708696673 /nfs/dbraw/zinc/69/66/73/708696673.db2.gz FEQWTROOAGTZOE-UHFFFAOYSA-N 0 3 307.398 1.059 20 5 DDBDHN C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000886160426 708708046 /nfs/dbraw/zinc/70/80/46/708708046.db2.gz SVLJNRVOFCZLAZ-GFCCVEGCSA-N 0 3 308.382 1.267 20 5 DDBDHN CCN1CCCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000910273648 709857354 /nfs/dbraw/zinc/85/73/54/709857354.db2.gz KBFMWMNHJHPGRK-LLVKDONJSA-N 0 3 321.381 1.588 20 5 DDBDHN C[C@@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CN2CCC1CC2 ZINC000892798893 710501993 /nfs/dbraw/zinc/50/19/93/710501993.db2.gz FWBWQLAEMIJTPT-MRXNPFEDSA-N 0 3 303.362 1.738 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCN1C ZINC000928445235 713199263 /nfs/dbraw/zinc/19/92/63/713199263.db2.gz PQLCXAPPUCZAIA-BXUZGUMPSA-N 0 3 316.361 1.758 20 5 DDBDHN CC[C@H]1[C@@H](CO)CCN1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894686699 711238508 /nfs/dbraw/zinc/23/85/08/711238508.db2.gz ARUBDDFGDXGKMP-NEPJUHHUSA-N 0 3 310.350 1.902 20 5 DDBDHN COC(=O)c1cc(C)nc(N[C@H]2CCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000895734801 711590251 /nfs/dbraw/zinc/59/02/51/711590251.db2.gz AUPOKUSTSAFVKI-KOLCDFICSA-N 0 3 308.338 1.589 20 5 DDBDHN Cc1cc(NCC[C@H]2CNC(=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000896134149 711680403 /nfs/dbraw/zinc/68/04/03/711680403.db2.gz LGMDAKIISKOSFW-LLVKDONJSA-N 0 3 314.345 1.811 20 5 DDBDHN CC[C@@H](CO)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000916570725 713458275 /nfs/dbraw/zinc/45/82/75/713458275.db2.gz PPIQLJCTRDHYDJ-VIFPVBQESA-N 0 3 301.730 1.547 20 5 DDBDHN COC1(OC)CCOC[C@@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000931670765 714157161 /nfs/dbraw/zinc/15/71/61/714157161.db2.gz PRTXPYHZDYDKIV-AWEZNQCLSA-N 0 3 310.350 1.505 20 5 DDBDHN CN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000932069675 714251595 /nfs/dbraw/zinc/25/15/95/714251595.db2.gz FLGPCAXAEUGFFU-AEGPPILISA-N 0 3 303.362 1.909 20 5 DDBDHN C[C@@H](NC[C@@H](O)COC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000932180618 714280244 /nfs/dbraw/zinc/28/02/44/714280244.db2.gz ASLNBIVQSVQECH-WQVCFCJDSA-N 0 3 324.377 1.802 20 5 DDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000923263029 714288620 /nfs/dbraw/zinc/28/86/20/714288620.db2.gz GGCYRSHYPLOLQO-UONOGXRCSA-N 0 3 321.352 1.972 20 5 DDBDHN Cc1ccc(CNC(=O)N[C@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000923910113 714488193 /nfs/dbraw/zinc/48/81/93/714488193.db2.gz JLDIKBRDZCQZHY-AAEUAGOBSA-N 0 3 306.366 1.795 20 5 DDBDHN Cn1cc(CN2CCCC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])n1 ZINC000934832077 714912741 /nfs/dbraw/zinc/91/27/41/714912741.db2.gz NIFDRDMJQCTBSO-STQMWFEESA-N 0 3 308.382 1.967 20 5 DDBDHN O=c1[n-]ccc(N2CC[NH2+][C@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001187431270 744567812 /nfs/dbraw/zinc/56/78/12/744567812.db2.gz YRXVFYOONQJKDF-CYBMUJFWSA-N 0 3 314.345 1.716 20 5 DDBDHN CCN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)CN1CCCC1 ZINC001106776987 746060602 /nfs/dbraw/zinc/06/06/02/746060602.db2.gz IQTPINFPWITOAU-UHFFFAOYSA-N 0 3 321.381 1.346 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1cccnn1 ZINC001169015780 762178504 /nfs/dbraw/zinc/17/85/04/762178504.db2.gz AEKJIJVWXABVLM-UHFFFAOYSA-N 0 3 315.333 1.295 20 5 DDBDHN COc1ncc([N+](=O)[O-])cc1N1CCCc2ccc(CN)nc21 ZINC001169591866 762526245 /nfs/dbraw/zinc/52/62/45/762526245.db2.gz APHBVHLHABDVES-UHFFFAOYSA-N 0 3 315.333 1.936 20 5 DDBDHN CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@H](C)[C@@H]1CNCCO1 ZINC001170570883 768192441 /nfs/dbraw/zinc/19/24/41/768192441.db2.gz LSHKMUOLIYAVPI-MFKMUULPSA-N 0 3 323.349 1.560 20 5 DDBDHN C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@H]1CNCCO1 ZINC001170570925 768192160 /nfs/dbraw/zinc/19/21/60/768192160.db2.gz OLUSDMDTPCGNAC-IONNQARKSA-N 0 3 309.351 1.388 20 5 DDBDHN CCOC(=O)c1cc(N[C@@H](C)[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001170574706 768225541 /nfs/dbraw/zinc/22/55/41/768225541.db2.gz NYVKHNDMPGVFKD-HZMBPMFUSA-N 0 3 323.349 1.560 20 5 DDBDHN Cc1ccnc(NCCNC(=O)C2(N(C)C)CCC2)c1[N+](=O)[O-] ZINC001093926455 775218434 /nfs/dbraw/zinc/21/84/34/775218434.db2.gz CFUAKKGPBVHHQR-UHFFFAOYSA-N 0 3 321.381 1.311 20 5 DDBDHN CCN(CC)CC(=O)NCCN(C)c1nc(C)ccc1[N+](=O)[O-] ZINC001100125955 775711419 /nfs/dbraw/zinc/71/14/19/775711419.db2.gz XVVLXIUPAAOOIV-UHFFFAOYSA-N 0 3 323.397 1.192 20 5 DDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](CN(C)C)C1 ZINC001173221207 777053420 /nfs/dbraw/zinc/05/34/20/777053420.db2.gz GIQLIJCMEUEEAR-CJNGLKHVSA-N 0 3 307.394 1.788 20 5 DDBDHN COC(=O)[C@@H]1CN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC001173231938 777063818 /nfs/dbraw/zinc/06/38/18/777063818.db2.gz PAVWENMSIMTQIQ-WFASDCNBSA-N 0 3 322.361 1.790 20 5 DDBDHN CN(C)CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])C1CCCCC1 ZINC001327456030 862188593 /nfs/dbraw/zinc/18/85/93/862188593.db2.gz VJCWNRZJUQVHBG-UHFFFAOYSA-N 0 3 309.370 1.654 20 5 DDBDHN N[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1F ZINC001122076818 858678834 /nfs/dbraw/zinc/67/88/34/858678834.db2.gz HDUSVDKGNJMIQC-VXGBXAGGSA-N 0 3 313.304 1.564 20 5 DDBDHN Cc1nn(CCC(=O)N2[C@H](C)CN[C@H](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC001122182499 858705190 /nfs/dbraw/zinc/70/51/90/858705190.db2.gz VUIGWRZUCTXQQV-CKYFFXLPSA-N 0 3 323.397 1.396 20 5 DDBDHN CN(C)CCONC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001329295395 863583278 /nfs/dbraw/zinc/58/32/78/863583278.db2.gz IMVCGERUMQZHMP-UHFFFAOYSA-N 0 3 308.338 1.392 20 5 DDBDHN C[C@@H](Nc1ccc2c(cccc2[N+](=O)[O-])n1)[C@@H]1CNCCO1 ZINC001159500682 865357922 /nfs/dbraw/zinc/35/79/22/865357922.db2.gz XBXPAYNVFKJOAW-YGRLFVJLSA-N 0 3 302.334 1.932 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC001332403322 865817144 /nfs/dbraw/zinc/81/71/44/865817144.db2.gz PVVNHMYDBNDLAQ-QMTHXVAHSA-N 0 3 304.350 1.713 20 5 DDBDHN CN1CCCC[C@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001337533174 869528064 /nfs/dbraw/zinc/52/80/64/869528064.db2.gz AWCYICGDJKFHPU-LBPRGKRZSA-N 0 3 309.341 1.877 20 5 DDBDHN CCn1c(C[N+](=O)[O-])nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001340993642 871458133 /nfs/dbraw/zinc/45/81/33/871458133.db2.gz RWYBQILFINSZAC-UHFFFAOYSA-N 0 3 324.429 1.633 20 5 DDBDHN CNc1ccc(C(=O)N2[C@H](C)CN[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC001341769582 871817664 /nfs/dbraw/zinc/81/76/64/871817664.db2.gz ZVXBVUKNMQYLBK-GMTAPVOTSA-N 0 3 306.366 1.847 20 5 DDBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CNCCO1 ZINC001343673768 872711645 /nfs/dbraw/zinc/71/16/45/872711645.db2.gz QJSOQBSHWNWCIZ-JTQLQIEISA-N 0 3 311.363 1.035 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCOC2(CNC2)C1 ZINC001349608481 875261617 /nfs/dbraw/zinc/26/16/17/875261617.db2.gz NFKGEKOLUUCFCO-UHFFFAOYSA-N 0 3 305.334 1.026 20 5 DDBDHN CN1CCN(C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC001349849298 875408615 /nfs/dbraw/zinc/40/86/15/875408615.db2.gz KHDOILPPGHBRMZ-MRXNPFEDSA-N 0 3 320.393 1.321 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@@H]1CN2CCC1CC2 ZINC001223448972 880967202 /nfs/dbraw/zinc/96/72/02/880967202.db2.gz UUSJFPHCQYUSHU-OAHLLOKOSA-N 0 3 320.345 1.992 20 5 DDBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001263202030 900530642 /nfs/dbraw/zinc/53/06/42/900530642.db2.gz QGIIAOGPNKBQOE-GRYCIOLGSA-N 0 3 307.350 1.571 20 5 DDBDHN C[C@H](CN1CCN(C)CC1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278590840 214259873 /nfs/dbraw/zinc/25/98/73/214259873.db2.gz YWZGFEMHFIVVOZ-LLVKDONJSA-N 0 3 318.381 1.519 20 5 DDBDHN COC[C@@H]1CCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000452035170 231276930 /nfs/dbraw/zinc/27/69/30/231276930.db2.gz GDRVOODIDLLGDF-UONOGXRCSA-N 0 3 324.377 1.835 20 5 DDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000152669634 186095722 /nfs/dbraw/zinc/09/57/22/186095722.db2.gz JNCJXLRAQXQKAQ-HNNXBMFYSA-N 0 3 320.349 1.119 20 5 DDBDHN Cc1c(C(=O)N[C@@H](C)CN(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000287185034 219365752 /nfs/dbraw/zinc/36/57/52/219365752.db2.gz LWGXAFAJTOJBME-QMMMGPOBSA-N 0 3 324.337 1.800 20 5 DDBDHN CN(CCNC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000067701673 353062450 /nfs/dbraw/zinc/06/24/50/353062450.db2.gz JCJGPJFNHQVWBV-UHFFFAOYSA-N 0 3 309.391 1.897 20 5 DDBDHN CC[C@H](CO)N1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000174138197 198296563 /nfs/dbraw/zinc/29/65/63/198296563.db2.gz KSHRUSDFJNMRNN-CQSZACIVSA-N 0 3 323.393 1.362 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](c2ncc[nH]2)C1 ZINC000090554477 353795686 /nfs/dbraw/zinc/79/56/86/353795686.db2.gz SLKLQGARMROKPU-LBPRGKRZSA-N 0 3 317.349 1.359 20 5 DDBDHN COc1ccc(CNc2cnn(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000106469232 353939373 /nfs/dbraw/zinc/93/93/73/353939373.db2.gz IQOAPDQVNFWRRL-UHFFFAOYSA-N 0 3 319.365 1.974 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCN2CCC(OCCCO)CC2)cc1 ZINC000154963159 354210291 /nfs/dbraw/zinc/21/02/91/354210291.db2.gz IDPMQVPLBZTZPR-UHFFFAOYSA-N 0 3 324.377 1.837 20 5 DDBDHN NC(=O)N[C@@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000270623441 354408176 /nfs/dbraw/zinc/40/81/76/354408176.db2.gz KHPOTJDWTHBITP-LLVKDONJSA-N 0 3 308.338 1.106 20 5 DDBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H](C)C1 ZINC000346231304 283035016 /nfs/dbraw/zinc/03/50/16/283035016.db2.gz OBROETMBQSTOQC-SCRDCRAPSA-N 0 3 320.393 1.736 20 5 DDBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H](C)C1 ZINC000346216129 283032867 /nfs/dbraw/zinc/03/28/67/283032867.db2.gz IAARIYJUMISKAV-MISXGVKJSA-N 0 3 306.366 1.725 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@@H]2C1 ZINC000590446622 355099759 /nfs/dbraw/zinc/09/97/59/355099759.db2.gz TYJAIVXHGVBAHF-QMTHXVAHSA-N 0 3 314.345 1.852 20 5 DDBDHN C[C@@H]1[C@H](O)CCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000590762213 355170191 /nfs/dbraw/zinc/17/01/91/355170191.db2.gz BYWWODZEBPXHME-ZWNOBZJWSA-N 0 3 321.333 1.348 20 5 DDBDHN Cc1cc(N2CN(CCN(C)C)C(=O)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000591981538 355452988 /nfs/dbraw/zinc/45/29/88/355452988.db2.gz CFUGBCVTVDXIGT-LBPRGKRZSA-N 0 3 306.366 1.459 20 5 DDBDHN CC(C)[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000592246402 355546996 /nfs/dbraw/zinc/54/69/96/355546996.db2.gz MQNGIMJBJFSFII-CQSZACIVSA-N 0 3 307.350 1.430 20 5 DDBDHN Cn1c(C(=O)N[C@H]2CCCN3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594204726 356139560 /nfs/dbraw/zinc/13/95/60/356139560.db2.gz XSYHNFBNPQEGOI-NWDGAFQWSA-N 0 3 306.366 1.680 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CN)C(F)(F)F ZINC000594452090 356222757 /nfs/dbraw/zinc/22/27/57/356222757.db2.gz XIVBEDHXJOCTSF-VIFPVBQESA-N 0 3 307.228 1.223 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@]1(O)CCO[C@@H]1C ZINC000595053512 356376801 /nfs/dbraw/zinc/37/68/01/356376801.db2.gz KOXAJRMDEOYMEV-RWSFTLGLSA-N 0 3 310.350 1.794 20 5 DDBDHN CCN1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000595536003 356537544 /nfs/dbraw/zinc/53/75/44/356537544.db2.gz LTFACGYHCDUPFL-CYBMUJFWSA-N 0 3 320.393 1.949 20 5 DDBDHN Cc1ccc2c(c1)CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000595657528 356594814 /nfs/dbraw/zinc/59/48/14/356594814.db2.gz MKNGNUAQGDWKRP-MRXNPFEDSA-N 0 3 316.361 1.519 20 5 DDBDHN O=C1CC[C@@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1 ZINC000595744988 356632160 /nfs/dbraw/zinc/63/21/60/356632160.db2.gz XPLWGVKCKBYEPX-HIFRSBDPSA-N 0 3 303.362 1.738 20 5 DDBDHN C[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1CCO ZINC000595706885 356617163 /nfs/dbraw/zinc/61/71/63/356617163.db2.gz YEYWJSSLLYJQPZ-GXTWGEPZSA-N 0 3 309.366 1.239 20 5 DDBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000596073921 356762863 /nfs/dbraw/zinc/76/28/63/356762863.db2.gz ONWONCHRIFGEGM-UHFFFAOYSA-N 0 3 322.409 1.791 20 5 DDBDHN CCN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000618288412 363567084 /nfs/dbraw/zinc/56/70/84/363567084.db2.gz GFIDKOXNXDTACC-LLVKDONJSA-N 0 3 303.366 1.997 20 5 DDBDHN CS[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000596197164 356810157 /nfs/dbraw/zinc/81/01/57/356810157.db2.gz VXUCXRORVLUSID-NEPJUHHUSA-N 0 3 324.406 1.711 20 5 DDBDHN Cc1cc(N2CN(CCN(C)C)C(=O)[C@@H]2C)c([N+](=O)[O-])s1 ZINC000596289197 356845870 /nfs/dbraw/zinc/84/58/70/356845870.db2.gz XXKYFJBNMVOWRM-JTQLQIEISA-N 0 3 312.395 1.521 20 5 DDBDHN COCCNCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598913009 357756449 /nfs/dbraw/zinc/75/64/49/357756449.db2.gz DWABMWRLTXBWRD-UHFFFAOYSA-N 0 3 316.745 1.606 20 5 DDBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H](O)CC3(O)CCC3)CC2)n1 ZINC000599387083 357919438 /nfs/dbraw/zinc/91/94/38/357919438.db2.gz HKEBKMRWFWVRNN-ZDUSSCGKSA-N 0 3 324.381 1.094 20 5 DDBDHN C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000237411699 202257797 /nfs/dbraw/zinc/25/77/97/202257797.db2.gz XYBURMXBSGIMJS-NEPJUHHUSA-N 0 3 306.366 1.606 20 5 DDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601127586 358413470 /nfs/dbraw/zinc/41/34/70/358413470.db2.gz KEZONFAMSSULCA-NSHDSACASA-N 0 3 307.325 1.948 20 5 DDBDHN NC(=O)c1ccc(CN[C@@H]2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000279167518 283377179 /nfs/dbraw/zinc/37/71/79/283377179.db2.gz BRFSSMVVFNQKJF-GXFFZTMASA-N 0 3 307.350 1.334 20 5 DDBDHN O=c1c(CNCCn2cc([N+](=O)[O-])cn2)cccn1C(F)F ZINC000602569170 359048955 /nfs/dbraw/zinc/04/89/55/359048955.db2.gz ONRDCDIDHIYVNX-UHFFFAOYSA-N 0 3 313.264 1.138 20 5 DDBDHN COCCCN(C)CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602559409 359045183 /nfs/dbraw/zinc/04/51/83/359045183.db2.gz IMBMGFXYOJYSIC-UHFFFAOYSA-N 0 3 322.365 1.794 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2CCC(CCO)(CCO)CC2)cc1 ZINC000602732104 359154215 /nfs/dbraw/zinc/15/42/15/359154215.db2.gz NXGUEPKRYXITON-UHFFFAOYSA-N 0 3 308.378 1.942 20 5 DDBDHN C[C@H]1OCC[C@H]1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000602837528 359227413 /nfs/dbraw/zinc/22/74/13/359227413.db2.gz ONSKEDOGUJJSSX-OLZOCXBDSA-N 0 3 306.366 1.537 20 5 DDBDHN CCOC(=O)C[C@](C)(NCc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000602818211 359213283 /nfs/dbraw/zinc/21/32/83/359213283.db2.gz LYFMXPQSCQSEIY-AWEZNQCLSA-N 0 3 312.370 1.786 20 5 DDBDHN O=C([C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000610453354 360440544 /nfs/dbraw/zinc/44/05/44/360440544.db2.gz XFYNYNWNQLZZJA-ZDUSSCGKSA-N 0 3 321.381 1.126 20 5 DDBDHN CCN(CCC(F)(F)F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610368177 360423031 /nfs/dbraw/zinc/42/30/31/360423031.db2.gz VKZXESYZRYGLJS-JTQLQIEISA-N 0 3 310.276 1.427 20 5 DDBDHN O=[N+]([O-])c1cnc(N2CCC[C@H]2CN2CCC[C@H]2CO)s1 ZINC000374490961 307209181 /nfs/dbraw/zinc/20/91/81/307209181.db2.gz XWLYQRBPCMUFOL-QWRGUYRKSA-N 0 3 312.395 1.477 20 5 DDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359215273 299359394 /nfs/dbraw/zinc/35/93/94/299359394.db2.gz AZKDMOSIKGGUHY-CYBMUJFWSA-N 0 3 318.377 1.973 20 5 DDBDHN CCCc1n[nH]c(C(=O)NCCN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000264685205 204076861 /nfs/dbraw/zinc/07/68/61/204076861.db2.gz QVVLADVPPRKYIQ-LLVKDONJSA-N 0 3 323.397 1.732 20 5 DDBDHN O=[N+]([O-])c1cc(CNCC2(OCCO)CCOCC2)cs1 ZINC000282687485 217177451 /nfs/dbraw/zinc/17/74/51/217177451.db2.gz NWGYRDQGOCSEBB-UHFFFAOYSA-N 0 3 316.379 1.304 20 5 DDBDHN CCN1CCN(CCNc2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000338644609 250073609 /nfs/dbraw/zinc/07/36/09/250073609.db2.gz HPOWQDVRJUSEKZ-UHFFFAOYSA-N 0 3 308.382 1.653 20 5 DDBDHN CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[n-]1)c1ccco1 ZINC000285227369 218341814 /nfs/dbraw/zinc/34/18/14/218341814.db2.gz VILZJTYUMNOLSI-LLVKDONJSA-N 0 3 321.337 1.724 20 5 DDBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@H]1CN1CCCCC1 ZINC000285240870 218347086 /nfs/dbraw/zinc/34/70/86/218347086.db2.gz GNSPREPQTOQPNP-LLVKDONJSA-N 0 3 307.354 1.408 20 5 DDBDHN COC(=O)c1cc(C(=O)NC[C@@H]2CCN(C)C2)cc([N+](=O)[O-])c1 ZINC000109848046 194293212 /nfs/dbraw/zinc/29/32/12/194293212.db2.gz ZKIMBADPOBIUTL-JTQLQIEISA-N 0 3 321.333 1.063 20 5 DDBDHN Cc1c(C(=O)NC[C@H]2CCN(C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000110651847 194347128 /nfs/dbraw/zinc/34/71/28/194347128.db2.gz AXOBJQPQBUUAFI-SNVBAGLBSA-N 0 3 322.321 1.493 20 5 DDBDHN CSCC[C@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269138230 207267919 /nfs/dbraw/zinc/26/79/19/207267919.db2.gz XLLCHJIQJDNJLE-NSHDSACASA-N 0 3 317.798 1.945 20 5 DDBDHN CN(C)C[C@@](C)(O)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000269859477 207916373 /nfs/dbraw/zinc/91/63/73/207916373.db2.gz CLJKQILNYRLCCU-INIZCTEOSA-N 0 3 323.393 1.301 20 5 DDBDHN COCCOC[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000295890972 533104783 /nfs/dbraw/zinc/10/47/83/533104783.db2.gz BNDKKXHNLZETSW-INIZCTEOSA-N 0 3 324.377 1.583 20 5 DDBDHN CCOC(=O)c1cc(C(=O)NCCN(C)C)cc([N+](=O)[O-])c1 ZINC000120331734 195145044 /nfs/dbraw/zinc/14/50/44/195145044.db2.gz XWBRTWODTREXHN-UHFFFAOYSA-N 0 3 309.322 1.063 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000417186413 533220318 /nfs/dbraw/zinc/22/03/18/533220318.db2.gz SXMWDSSIJROIAW-GHMZBOCLSA-N 0 3 322.365 1.495 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCc3ccc(F)cc32)c1 ZINC000570082311 304394739 /nfs/dbraw/zinc/39/47/39/304394739.db2.gz ICUJXNOZFGMHOY-ZFWWWQNUSA-N 0 3 320.324 1.568 20 5 DDBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)Cc1ccccc1[N+](=O)[O-])C2 ZINC000073989099 406898075 /nfs/dbraw/zinc/89/80/75/406898075.db2.gz SFHNLXFUXYOXQA-UONOGXRCSA-N 0 3 303.362 1.832 20 5 DDBDHN CN(CC1CCN(C)CC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000077563624 406996659 /nfs/dbraw/zinc/99/66/59/406996659.db2.gz VEPHFLAIOZFNGB-UHFFFAOYSA-N 0 3 306.366 1.591 20 5 DDBDHN CCN1CCN([C@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000046948463 407067800 /nfs/dbraw/zinc/06/78/00/407067800.db2.gz HQIAWYHDEZVCLG-CYBMUJFWSA-N 0 3 320.393 1.351 20 5 DDBDHN COc1ccc(CN(C)CC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000178704072 407555008 /nfs/dbraw/zinc/55/50/08/407555008.db2.gz SAHJUKVDNICACO-UHFFFAOYSA-N 0 3 310.350 1.577 20 5 DDBDHN Cc1nn(CCC(=O)NC[C@H]2CCCN2C)c(C)c1[N+](=O)[O-] ZINC000171400811 407680811 /nfs/dbraw/zinc/68/08/11/407680811.db2.gz HWXXAUTWDDQSKM-GFCCVEGCSA-N 0 3 309.370 1.009 20 5 DDBDHN C[C@H](NCC1(C(N)=O)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153094588 407754730 /nfs/dbraw/zinc/75/47/30/407754730.db2.gz KZULVVHONDWWCL-NSHDSACASA-N 0 3 307.350 1.528 20 5 DDBDHN COCCN(CCN(C)C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000171665446 407736650 /nfs/dbraw/zinc/73/66/50/407736650.db2.gz CPQSTMHZBBPFNG-UHFFFAOYSA-N 0 3 324.381 1.314 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCNC[C@@H]1c1cccc(F)c1 ZINC000262215201 407766472 /nfs/dbraw/zinc/76/64/72/407766472.db2.gz MBPJDOYXHYSLQC-CYBMUJFWSA-N 0 3 319.340 1.614 20 5 DDBDHN CCCC[C@@H](N)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000236809808 407775627 /nfs/dbraw/zinc/77/56/27/407775627.db2.gz ATDLGIXSIDFWDK-GFCCVEGCSA-N 0 3 309.322 1.837 20 5 DDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000272548230 407975712 /nfs/dbraw/zinc/97/57/12/407975712.db2.gz KLNPVQDSCIRHCM-NWDGAFQWSA-N 0 3 307.350 1.573 20 5 DDBDHN Cc1nn(CCC(=O)N2CCN[C@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000262783583 407928119 /nfs/dbraw/zinc/92/81/19/407928119.db2.gz LWOBADIZPQBIAJ-KOLCDFICSA-N 0 3 309.370 1.007 20 5 DDBDHN C[C@H]1CCC[C@@H](CO)N1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182220821 408098390 /nfs/dbraw/zinc/09/83/90/408098390.db2.gz DQGXXAUHODJIDV-IHRRRGAJSA-N 0 3 324.377 1.570 20 5 DDBDHN COCCN(C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000263818355 408270903 /nfs/dbraw/zinc/27/09/03/408270903.db2.gz ZAERKRRYRQLUQY-UHFFFAOYSA-N 0 3 321.333 1.649 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000269432750 408308070 /nfs/dbraw/zinc/30/80/70/408308070.db2.gz CIWNUFWVEGQKAL-MWLCHTKSSA-N 0 3 321.381 1.654 20 5 DDBDHN C[C@@H](O)[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000183225411 408359644 /nfs/dbraw/zinc/35/96/44/408359644.db2.gz QQHCYTHPSTUFMN-BZPMIXESSA-N 0 3 310.350 1.037 20 5 DDBDHN COCCN(CCN(C)C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183581176 408446987 /nfs/dbraw/zinc/44/69/87/408446987.db2.gz ZSONAFUMYHWJRU-UHFFFAOYSA-N 0 3 311.342 1.032 20 5 DDBDHN C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])CCN1C ZINC000183555139 408439810 /nfs/dbraw/zinc/43/98/10/408439810.db2.gz LKYWIPUPRNYJEG-MNOVXSKESA-N 0 3 307.354 1.936 20 5 DDBDHN COc1ccc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000177130334 408526956 /nfs/dbraw/zinc/52/69/56/408526956.db2.gz DECHSJVQDGHIHW-CMPLNLGQSA-N 0 3 319.361 1.958 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000177159446 408538419 /nfs/dbraw/zinc/53/84/19/408538419.db2.gz QULFGRXFEHRGLQ-MNOVXSKESA-N 0 3 319.361 1.958 20 5 DDBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000163751285 408788706 /nfs/dbraw/zinc/78/87/06/408788706.db2.gz AWTGRDSSMQMUJK-GRYCIOLGSA-N 0 3 323.397 1.425 20 5 DDBDHN C[C@H](c1ccccc1)[C@@H](NCCn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000292212645 409002628 /nfs/dbraw/zinc/00/26/28/409002628.db2.gz ONGKGDPNQNNWBJ-BXUZGUMPSA-N 0 3 317.349 1.039 20 5 DDBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCN(C2CCC2)C1 ZINC000292256954 409010873 /nfs/dbraw/zinc/01/08/73/409010873.db2.gz FDGCEOTWDHSOGU-LLVKDONJSA-N 0 3 306.366 1.869 20 5 DDBDHN CN1CC[C@]2(CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C2)C1 ZINC000293919222 409206201 /nfs/dbraw/zinc/20/62/01/409206201.db2.gz PFPIDGCDDYQZME-INIZCTEOSA-N 0 3 318.377 1.561 20 5 DDBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H](CO)[C@H]1CCOC1 ZINC000280262654 409280307 /nfs/dbraw/zinc/28/03/07/409280307.db2.gz JYDXLIMJKBUPFG-CMPLNLGQSA-N 0 3 314.769 1.983 20 5 DDBDHN CC[C@@H]1CCCCN1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290674995 409485085 /nfs/dbraw/zinc/48/50/85/409485085.db2.gz RPLPIDOWTDAVQR-LLVKDONJSA-N 0 3 321.381 1.765 20 5 DDBDHN COc1c(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000331520075 409595815 /nfs/dbraw/zinc/59/58/15/409595815.db2.gz NVPNIHAVQHHCIW-ZWNOBZJWSA-N 0 3 319.361 1.816 20 5 DDBDHN COCCN1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000354147467 409692835 /nfs/dbraw/zinc/69/28/35/409692835.db2.gz DECPUABOHKDPQQ-HNNXBMFYSA-N 0 3 321.377 1.364 20 5 DDBDHN CC(C)N1C[C@@H](C)[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000342558958 409723113 /nfs/dbraw/zinc/72/31/13/409723113.db2.gz DSUYZFLCFPZAEQ-MFKMUULPSA-N 0 3 306.366 1.834 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CCN(C)C3)n2)c1 ZINC000350277004 409937015 /nfs/dbraw/zinc/93/70/15/409937015.db2.gz QSJVBQPPPVXNMJ-SNVBAGLBSA-N 0 3 318.333 1.996 20 5 DDBDHN C[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)N(C)C ZINC000298331522 410182409 /nfs/dbraw/zinc/18/24/09/410182409.db2.gz FHLUVVLDWMZEJJ-SNVBAGLBSA-N 0 3 306.366 1.849 20 5 DDBDHN C[C@H](CN1CCCCC1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000298475069 410246095 /nfs/dbraw/zinc/24/60/95/410246095.db2.gz RMMZCFWHDLVONW-SNVBAGLBSA-N 0 3 307.354 1.375 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1N(C)C ZINC000332718675 410234061 /nfs/dbraw/zinc/23/40/61/410234061.db2.gz QQVVTAWONSKYRB-WDEREUQCSA-N 0 3 312.395 1.051 20 5 DDBDHN O=C(N[C@@H]1CCN(CC2CCCC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000353369160 410944171 /nfs/dbraw/zinc/94/41/71/410944171.db2.gz KCBNOMCVBKELDE-LLVKDONJSA-N 0 3 307.354 1.312 20 5 DDBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356472352 411048024 /nfs/dbraw/zinc/04/80/24/411048024.db2.gz ZQFJVRPMILOPNV-GHMZBOCLSA-N 0 3 309.370 1.321 20 5 DDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000356477869 411050312 /nfs/dbraw/zinc/05/03/12/411050312.db2.gz LJCIRFDFRWCVJS-LBPRGKRZSA-N 0 3 321.381 1.419 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]([NH3+])C2CC2)cc1C ZINC000133150526 196315794 /nfs/dbraw/zinc/31/57/94/196315794.db2.gz MYOXIUBGCMPFSY-LLVKDONJSA-N 0 3 313.379 1.227 20 5 DDBDHN COC[C@@]1(C)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000296666009 226103394 /nfs/dbraw/zinc/10/33/94/226103394.db2.gz KJOKVXOJRGIMRP-ZBFHGGJFSA-N 0 3 324.377 1.693 20 5 DDBDHN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1CCO ZINC000419322454 226114492 /nfs/dbraw/zinc/11/44/92/226114492.db2.gz HKDGQTWFYUWDMQ-KGLIPLIRSA-N 0 3 323.393 1.361 20 5 DDBDHN CCc1nn(C)c(NC[C@H]2CCCN2CCOC)c1[N+](=O)[O-] ZINC000360967102 418556207 /nfs/dbraw/zinc/55/62/07/418556207.db2.gz WZIMKJVAABQKBE-LLVKDONJSA-N 0 3 311.386 1.413 20 5 DDBDHN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1[C@@H]1CCCO1 ZINC000367724746 418627802 /nfs/dbraw/zinc/62/78/02/418627802.db2.gz HFQBKASWMWDLAD-MELADBBJSA-N 0 3 324.381 1.042 20 5 DDBDHN CN1CC[C@@H](CNc2ncc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000364961216 418828456 /nfs/dbraw/zinc/82/84/56/418828456.db2.gz YAOHNDLEYFUKHU-GWCFXTLKSA-N 0 3 319.390 2.551 20 5 DDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCc3nccn3C2)c([N+](=O)[O-])c1 ZINC000365808100 418911847 /nfs/dbraw/zinc/91/18/47/418911847.db2.gz YDUFCFALWVOWFP-NSHDSACASA-N 0 3 317.305 1.804 20 5 DDBDHN COc1ccc(OCCN2C[C@H](C)C[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000420943302 419372485 /nfs/dbraw/zinc/37/24/85/419372485.db2.gz POQPOECQNYKBRA-OLZOCXBDSA-N 0 3 324.377 1.933 20 5 DDBDHN Cc1c(CNC(=O)N2C[C@H](C)NC[C@H]2C)cccc1[N+](=O)[O-] ZINC000418077346 419512167 /nfs/dbraw/zinc/51/21/67/419512167.db2.gz HPUFCNUQTHVHSU-WDEREUQCSA-N 0 3 306.366 1.795 20 5 DDBDHN COCCN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCSC1 ZINC000433195554 229171213 /nfs/dbraw/zinc/17/12/13/229171213.db2.gz WINCLHJXUMMCDX-GFCCVEGCSA-N 0 3 314.411 1.635 20 5 DDBDHN CC(C)(NC(=O)NC[C@@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000418767607 419974379 /nfs/dbraw/zinc/97/43/79/419974379.db2.gz OEHPCHYITYHEQL-ZDUSSCGKSA-N 0 3 322.365 1.118 20 5 DDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCNC[C@@](C)(F)C1 ZINC000420340452 420219871 /nfs/dbraw/zinc/21/98/71/420219871.db2.gz PHJKYMJDRJYQFN-IAQYHMDHSA-N 0 3 324.356 1.555 20 5 DDBDHN CN(C(=O)c1c([N+](=O)[O-])cnn1C)C(C)(C)CN1CCCC1 ZINC000416332487 420334004 /nfs/dbraw/zinc/33/40/04/420334004.db2.gz HLJBTMDJUGAFAC-UHFFFAOYSA-N 0 3 309.370 1.275 20 5 DDBDHN CNC(=O)c1ccc(N(C)C[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000420629996 420335126 /nfs/dbraw/zinc/33/51/26/420335126.db2.gz DATJHWNBJKYMSK-LBPRGKRZSA-N 0 3 306.366 1.485 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000450780378 420528046 /nfs/dbraw/zinc/52/80/46/420528046.db2.gz QDCTYUNKSBJJPW-XHDPSFHLSA-N 0 3 319.361 1.830 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCN(C)C2(CCCCC2)C1 ZINC000516978464 421585985 /nfs/dbraw/zinc/58/59/85/421585985.db2.gz GNMXVLRPUIWNDO-UHFFFAOYSA-N 0 3 307.398 1.779 20 5 DDBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H](C)C1 ZINC000554128841 421633366 /nfs/dbraw/zinc/63/33/66/421633366.db2.gz SWZXXCGQGZBWGH-SCRDCRAPSA-N 0 3 320.393 1.736 20 5 DDBDHN CN(C(=O)CN[C@@H]1C[C@H](O)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000570525069 421651403 /nfs/dbraw/zinc/65/14/03/421651403.db2.gz GSFCHURPCLXOIW-OLZOCXBDSA-N 0 3 307.350 1.307 20 5 DDBDHN CNc1ccc(C(=O)NCCNc2ccncc2)cc1[N+](=O)[O-] ZINC000534522416 421693013 /nfs/dbraw/zinc/69/30/13/421693013.db2.gz JONPILWQHHWPBM-UHFFFAOYSA-N 0 3 315.333 1.295 20 5 DDBDHN Cc1c(NC(=O)N2CCN(C)C[C@H]2CN)cccc1[N+](=O)[O-] ZINC000519812450 421729812 /nfs/dbraw/zinc/72/98/12/421729812.db2.gz WITRAABETRWRNH-LLVKDONJSA-N 0 3 307.354 1.010 20 5 DDBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(C2CC2)C1 ZINC000522306429 421823823 /nfs/dbraw/zinc/82/38/23/421823823.db2.gz PDRSBBZZUDAVPY-LBPRGKRZSA-N 0 3 304.350 1.631 20 5 DDBDHN Cc1ncc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000574191304 422073841 /nfs/dbraw/zinc/07/38/41/422073841.db2.gz BRNUKDPYCAWTLC-LLVKDONJSA-N 0 3 323.374 1.889 20 5 DDBDHN COc1ccc(CN2CCNC[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000574756872 422174005 /nfs/dbraw/zinc/17/40/05/422174005.db2.gz GDHCXOZBZSBNKX-LLVKDONJSA-N 0 3 301.293 1.642 20 5 DDBDHN CNc1nccc(C(=O)NC[C@H]2CCN2C(C)(C)C)c1[N+](=O)[O-] ZINC000597861295 422392192 /nfs/dbraw/zinc/39/21/92/422392192.db2.gz SKUFZEAFGXDXIM-SNVBAGLBSA-N 0 3 321.381 1.634 20 5 DDBDHN CCNc1ccc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000411038867 276271513 /nfs/dbraw/zinc/27/15/13/276271513.db2.gz CCFVPAJAZKLBGO-SWLSCSKDSA-N 0 3 318.377 1.803 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CC[NH3+])c1C ZINC000447256396 278865478 /nfs/dbraw/zinc/86/54/78/278865478.db2.gz KYMWINCAPAQRQF-SECBINFHSA-N 0 3 301.368 1.227 20 5 DDBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000165683056 298216048 /nfs/dbraw/zinc/21/60/48/298216048.db2.gz LLLJFOBSZBXJRR-GFCCVEGCSA-N 0 3 323.397 1.713 20 5 DDBDHN Cc1cc([C@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000363171562 300226031 /nfs/dbraw/zinc/22/60/31/300226031.db2.gz ZSEVUGJGSZWQSE-LBPRGKRZSA-N 0 3 304.354 1.702 20 5 DDBDHN Cc1cc([C@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)[nH]n1 ZINC000363171562 300226032 /nfs/dbraw/zinc/22/60/32/300226032.db2.gz ZSEVUGJGSZWQSE-LBPRGKRZSA-N 0 3 304.354 1.702 20 5 DDBDHN Cc1ccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000367461260 300847736 /nfs/dbraw/zinc/84/77/36/300847736.db2.gz UBWYAPNUYYCMIM-WBVHZDCISA-N 0 3 319.405 1.934 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000368587933 301059106 /nfs/dbraw/zinc/05/91/06/301059106.db2.gz BUQQVMYWXKYPHJ-TZMCWYRMSA-N 0 3 319.361 1.526 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@]3(CCCCO3)C2)c1 ZINC000370095054 301274920 /nfs/dbraw/zinc/27/49/20/301274920.db2.gz RDARFGGVVWUZON-GJZGRUSLSA-N 0 3 324.381 1.187 20 5 DDBDHN COC[C@@H](O)CN1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000370873997 301399103 /nfs/dbraw/zinc/39/91/03/301399103.db2.gz WRUUKVJQAGMCSL-AWEZNQCLSA-N 0 3 321.377 1.582 20 5 DDBDHN NC(=O)c1ccc(CN[C@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000372810274 301617366 /nfs/dbraw/zinc/61/73/66/301617366.db2.gz PBVVIWYAFSAWSJ-JSGCOSHPSA-N 0 3 305.334 1.351 20 5 DDBDHN C[C@@H]1COCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000378286045 302308395 /nfs/dbraw/zinc/30/83/95/302308395.db2.gz JDUYRTKVUSPYRD-LBPRGKRZSA-N 0 3 307.350 1.892 20 5 DDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)N1CCC(C)CC1 ZINC000356458747 306852205 /nfs/dbraw/zinc/85/22/05/306852205.db2.gz PBFJGSRACFMPAX-LLVKDONJSA-N 0 3 309.370 1.179 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1N(C)C ZINC000535729416 303349815 /nfs/dbraw/zinc/34/98/15/303349815.db2.gz WIXVJABSVVLKLZ-NWDGAFQWSA-N 0 3 310.379 1.107 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000562978904 303905336 /nfs/dbraw/zinc/90/53/36/303905336.db2.gz HLCSPIMTSPAFFN-UHFFFAOYSA-N 0 3 318.308 1.970 20 5 DDBDHN CCN1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000370813785 307136910 /nfs/dbraw/zinc/13/69/10/307136910.db2.gz BQKSMWCVXNIIMP-UHFFFAOYSA-N 0 3 305.378 2.000 20 5 DDBDHN CC[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)N(C)C ZINC000373259333 307182945 /nfs/dbraw/zinc/18/29/45/307182945.db2.gz VIWXNSVHXNYGMG-GFCCVEGCSA-N 0 3 309.370 1.295 20 5 DDBDHN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cn1)N1CCCCC1 ZINC000531633879 307620895 /nfs/dbraw/zinc/62/08/95/307620895.db2.gz LDYQTQCCCBCULT-UHFFFAOYSA-N 0 3 306.366 1.984 20 5 DDBDHN Cn1cc([C@H]2CN(CCn3ccc([N+](=O)[O-])n3)CC2(C)C)cn1 ZINC000573264017 308234846 /nfs/dbraw/zinc/23/48/46/308234846.db2.gz QGWUQZYOUOGEFW-CYBMUJFWSA-N 0 3 318.381 1.650 20 5 DDBDHN COc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1C ZINC000582160362 325980892 /nfs/dbraw/zinc/98/08/92/325980892.db2.gz NBWOBNBXVMBVGF-AWEZNQCLSA-N 0 3 320.349 1.259 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCCC[C@H]3O)CC2)cn1 ZINC000584533394 337357491 /nfs/dbraw/zinc/35/74/91/337357491.db2.gz YTXVNSDPVIBTEI-UKRRQHHQSA-N 0 3 320.393 1.663 20 5 DDBDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000599625810 490382419 /nfs/dbraw/zinc/38/24/19/490382419.db2.gz PRNZPXQAMGHDAE-RZGXBDKHSA-N 0 3 307.350 1.595 20 5 DDBDHN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000348143051 490748818 /nfs/dbraw/zinc/74/88/18/490748818.db2.gz ORWDYHWOTSNVPQ-GXFFZTMASA-N 0 3 307.350 1.598 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCO[C@@H]1C1CC1 ZINC000494453923 534339495 /nfs/dbraw/zinc/33/94/95/534339495.db2.gz KQVMHUHWKKSXTN-XJKSGUPXSA-N 0 3 319.361 1.999 20 5 DDBDHN CC(C)(O)[C@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000305427192 527363708 /nfs/dbraw/zinc/36/37/08/527363708.db2.gz CAMRGBVYKMBFNW-CYBMUJFWSA-N 0 3 307.350 1.429 20 5 DDBDHN CC[N@H+](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC000444177429 528512980 /nfs/dbraw/zinc/51/29/80/528512980.db2.gz VWLPAHZIDGIKDS-UHFFFAOYSA-N 0 3 321.424 1.665 20 5 DDBDHN CC[N@@H+](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC000444177429 528512985 /nfs/dbraw/zinc/51/29/85/528512985.db2.gz VWLPAHZIDGIKDS-UHFFFAOYSA-N 0 3 321.424 1.665 20 5 DDBDHN C[N@@H+]1CC[C@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736848357 598243477 /nfs/dbraw/zinc/24/34/77/598243477.db2.gz LWEXFPVSDIVDGU-SECBINFHSA-N 0 3 303.326 1.139 20 5 DDBDHN C[N@H+]1CC[C@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736848357 598243479 /nfs/dbraw/zinc/24/34/79/598243479.db2.gz LWEXFPVSDIVDGU-SECBINFHSA-N 0 3 303.326 1.139 20 5 DDBDHN C[N@@H+]1CC[C@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736848357 598243480 /nfs/dbraw/zinc/24/34/80/598243480.db2.gz LWEXFPVSDIVDGU-SECBINFHSA-N 0 3 303.326 1.139 20 5 DDBDHN C[N@H+]1CC[C@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736848357 598243482 /nfs/dbraw/zinc/24/34/82/598243482.db2.gz LWEXFPVSDIVDGU-SECBINFHSA-N 0 3 303.326 1.139 20 5 DDBDHN CC[N@H+](CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC000736537122 598298593 /nfs/dbraw/zinc/29/85/93/598298593.db2.gz RGGFZWFISXQVLN-UHFFFAOYSA-N 0 3 317.353 1.671 20 5 DDBDHN CC[N@@H+](CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC000736537122 598298595 /nfs/dbraw/zinc/29/85/95/598298595.db2.gz RGGFZWFISXQVLN-UHFFFAOYSA-N 0 3 317.353 1.671 20 5 DDBDHN CC[N@H+](CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC000736537122 598298597 /nfs/dbraw/zinc/29/85/97/598298597.db2.gz RGGFZWFISXQVLN-UHFFFAOYSA-N 0 3 317.353 1.671 20 5 DDBDHN CC[N@@H+](CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC000736537122 598298600 /nfs/dbraw/zinc/29/86/00/598298600.db2.gz RGGFZWFISXQVLN-UHFFFAOYSA-N 0 3 317.353 1.671 20 5 DDBDHN C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC000736761848 598383134 /nfs/dbraw/zinc/38/31/34/598383134.db2.gz UYZIPMDQXSDRIR-CYBMUJFWSA-N 0 3 317.353 1.527 20 5 DDBDHN C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC000736761848 598383135 /nfs/dbraw/zinc/38/31/35/598383135.db2.gz UYZIPMDQXSDRIR-CYBMUJFWSA-N 0 3 317.353 1.527 20 5 DDBDHN CON(C)C(=O)CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000788020836 699268213 /nfs/dbraw/zinc/26/82/13/699268213.db2.gz JAANOAQHOFDQNV-UHFFFAOYSA-N 0 3 307.350 1.969 20 5 DDBDHN CN1CC[C@](O)(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000762715299 700904130 /nfs/dbraw/zinc/90/41/30/700904130.db2.gz BCVCMXSAFDSHKQ-ZDUSSCGKSA-N 0 3 313.741 1.045 20 5 DDBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H](CO)CN1CCCC1 ZINC000808223814 701509164 /nfs/dbraw/zinc/50/91/64/701509164.db2.gz ZKNZGPVZFSLHFI-LHRNQBEKSA-N 0 3 319.361 1.181 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)[C@@H]2C1 ZINC000816952047 702235565 /nfs/dbraw/zinc/23/55/65/702235565.db2.gz BEMWUXMHGRUYJB-ISVAXAHUSA-N 0 3 308.313 1.092 20 5 DDBDHN Cc1c(CC(=O)OCC(C)[N+](=O)[O-])nnn1-c1ccccc1 ZINC000813104515 702291948 /nfs/dbraw/zinc/29/19/48/702291948.db2.gz NPXLUXDGUHWHGK-SNVBAGLBSA-N 0 3 304.306 1.327 20 5 DDBDHN CC(COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[N+](=O)[O-] ZINC000813103968 702291983 /nfs/dbraw/zinc/29/19/83/702291983.db2.gz VIDQJNVAVCSFQG-SECBINFHSA-N 0 3 307.262 1.758 20 5 DDBDHN CC(COC(=O)CCc1nnc(-c2ccsc2)o1)[N+](=O)[O-] ZINC000813104114 702292216 /nfs/dbraw/zinc/29/22/16/702292216.db2.gz KCJKPZMYZHNCFF-MRVPVSSYSA-N 0 3 311.319 1.939 20 5 DDBDHN CC(COC(=O)CCc1nc(-c2ccsc2)no1)[N+](=O)[O-] ZINC000813105058 702293226 /nfs/dbraw/zinc/29/32/26/702293226.db2.gz UYDMPNRHKBWLGF-MRVPVSSYSA-N 0 3 311.319 1.939 20 5 DDBDHN Cc1cc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)ccc1F ZINC000813108141 702294091 /nfs/dbraw/zinc/29/40/91/702294091.db2.gz BBWMQPIBSJIOGW-QWRGUYRKSA-N 0 3 324.308 1.695 20 5 DDBDHN Cc1c(CC(=O)OCC(C)[N+](=O)[O-])nnn1-c1ccc(C)cc1 ZINC000813110128 702296450 /nfs/dbraw/zinc/29/64/50/702296450.db2.gz SSBFLFAJSWRWLK-NSHDSACASA-N 0 3 318.333 1.635 20 5 DDBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@H](CO)c1ccnn1C ZINC000866394816 706688941 /nfs/dbraw/zinc/68/89/41/706688941.db2.gz GJKQLXLPUJYELI-GXFFZTMASA-N 0 3 322.340 1.722 20 5 DDBDHN CC[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000843090485 702817060 /nfs/dbraw/zinc/81/70/60/702817060.db2.gz XFFRKSHDBIBMQS-TUAOUCFPSA-N 0 3 322.283 1.920 20 5 DDBDHN NC(=O)c1ccc(CN2CC[C@H]3CSC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000879561542 706718371 /nfs/dbraw/zinc/71/83/71/706718371.db2.gz QFXBGHGIWHEHGK-QWHCGFSZSA-N 0 3 321.402 1.879 20 5 DDBDHN C[C@@H](C[NH+](C)C)[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848591119 703566995 /nfs/dbraw/zinc/56/69/95/703566995.db2.gz YRZXUMQUYDCQJX-VIFPVBQESA-N 0 3 317.292 1.633 20 5 DDBDHN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCOC2(CNC2)C1 ZINC000853244120 704223576 /nfs/dbraw/zinc/22/35/76/704223576.db2.gz CVONJMDFLPQOHT-UHFFFAOYSA-N 0 3 311.725 1.063 20 5 DDBDHN COCCN1CCC[C@@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823113407 705143724 /nfs/dbraw/zinc/14/37/24/705143724.db2.gz XIVHQOZSCMMKSN-GFCCVEGCSA-N 0 3 301.387 1.049 20 5 DDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000874823246 705182366 /nfs/dbraw/zinc/18/23/66/705182366.db2.gz GVSKQFHBATWMDZ-UONOGXRCSA-N 0 3 321.352 1.972 20 5 DDBDHN CNc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000874848392 705202187 /nfs/dbraw/zinc/20/21/87/705202187.db2.gz SGBVGBZXBBYDNV-KBPBESRZSA-N 0 3 318.377 1.945 20 5 DDBDHN CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000860777777 705280044 /nfs/dbraw/zinc/28/00/44/705280044.db2.gz VVZBUGYFPLETLM-VHSXEESVSA-N 0 3 304.343 1.840 20 5 DDBDHN O=[N+]([O-])c1cnn(C2CC(N[C@@H](CO)c3ccsc3)C2)c1 ZINC000877399936 706096284 /nfs/dbraw/zinc/09/62/84/706096284.db2.gz PUABOTDDNBMJGQ-XIVSLSHWSA-N 0 3 308.363 1.880 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCN1C ZINC000830110206 706456448 /nfs/dbraw/zinc/45/64/48/706456448.db2.gz BQSDJGYEUARYBU-JUDXGUMMSA-N 0 3 303.362 1.907 20 5 DDBDHN COc1ccc(CN(C)[C@H]2CCOC[C@H]2OC)cc1[N+](=O)[O-] ZINC000880425586 706970649 /nfs/dbraw/zinc/97/06/49/706970649.db2.gz GHAWSLYHBHVUPG-SWLSCSKDSA-N 0 3 310.350 1.839 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1CN(C)CCN1C ZINC000873051183 707709593 /nfs/dbraw/zinc/70/95/93/707709593.db2.gz DELOHTIHAZAUEN-AWEZNQCLSA-N 0 3 306.410 1.547 20 5 DDBDHN Cc1ccc(CN[C@H]2CCCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000873149485 707749760 /nfs/dbraw/zinc/74/97/60/707749760.db2.gz PFXZBONZFMZGMT-ZDUSSCGKSA-N 0 3 312.391 1.960 20 5 DDBDHN COCC[C@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000884307042 708236204 /nfs/dbraw/zinc/23/62/04/708236204.db2.gz WNSHZANXZUHUQW-AWEZNQCLSA-N 0 3 307.350 1.450 20 5 DDBDHN Cc1ccccc1[C@H](CO)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000886433766 708760396 /nfs/dbraw/zinc/76/03/96/708760396.db2.gz UBURAXQXCCBFIJ-AWEZNQCLSA-N 0 3 304.350 1.765 20 5 DDBDHN CC1(C)C[C@@H](NCCN2CCNC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000886744650 708833239 /nfs/dbraw/zinc/83/32/39/708833239.db2.gz COFKMUHNDCSVOR-CQSZACIVSA-N 0 3 318.377 1.932 20 5 DDBDHN CCN1CCN(CCNc2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000891756351 710286564 /nfs/dbraw/zinc/28/65/64/710286564.db2.gz LHVDUBMMXKYAPQ-UHFFFAOYSA-N 0 3 309.370 1.048 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCN1C ZINC000928448988 713201523 /nfs/dbraw/zinc/20/15/23/713201523.db2.gz DGOWJJVFLKARCK-PSASIEDQSA-N 0 3 307.306 1.146 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN1C ZINC000928456456 713204994 /nfs/dbraw/zinc/20/49/94/713204994.db2.gz RPLYOWIDVQDINW-ZWNOBZJWSA-N 0 3 318.377 1.992 20 5 DDBDHN COc1c(O)ccc(CN2CCN(C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000893669907 710770507 /nfs/dbraw/zinc/77/05/07/710770507.db2.gz XCLBNAQVRRRBRM-MNOVXSKESA-N 0 3 309.366 1.833 20 5 DDBDHN O=[N+]([O-])c1cnc2ccc(F)cc2c1NCCN1CC[C@@H](O)C1 ZINC000894782674 711269875 /nfs/dbraw/zinc/26/98/75/711269875.db2.gz XBPKKMKVJNQPOZ-LLVKDONJSA-N 0 3 320.324 1.183 20 5 DDBDHN COc1c([O-])ccc(C[NH2+]C2CCN(OC)CC2)c1[N+](=O)[O-] ZINC000894984487 711350754 /nfs/dbraw/zinc/35/07/54/711350754.db2.gz BWOKCRGZDBZTAE-UHFFFAOYSA-N 0 3 311.338 1.424 20 5 DDBDHN C/C(=C\C(=O)NCCN(C)CCO)c1ccc([N+](=O)[O-])cc1 ZINC000924997446 714721048 /nfs/dbraw/zinc/72/10/48/714721048.db2.gz HNMSCKKMOPZTJK-VAWYXSNFSA-N 0 3 307.350 1.038 20 5 DDBDHN CS[C@H]1CN(c2nn(C)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC001186174348 744357434 /nfs/dbraw/zinc/35/74/34/744357434.db2.gz CYJBGQHPHXUOFS-JQWIXIFHSA-N 0 3 311.411 1.344 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1(C(F)F)CC1 ZINC001127217481 744502224 /nfs/dbraw/zinc/50/22/24/744502224.db2.gz ZWUCMVLPWULDEO-UHFFFAOYSA-N 0 3 313.304 1.846 20 5 DDBDHN O=C(NCC1CN(C/C=C\c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031661984 747336603 /nfs/dbraw/zinc/33/66/03/747336603.db2.gz QAWCPBKQZNXLEM-ATEGUMQPSA-N 0 3 315.373 1.413 20 5 DDBDHN Nc1cccnc1N1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036500 762191693 /nfs/dbraw/zinc/19/16/93/762191693.db2.gz GCOTTWWMVMNUMT-OLZOCXBDSA-N 0 3 305.382 1.231 20 5 DDBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1ncc[nH]1 ZINC001020133954 760607557 /nfs/dbraw/zinc/60/75/57/760607557.db2.gz JSBYEHFALNUKHQ-HAQNSBGRSA-N 0 3 315.333 1.369 20 5 DDBDHN CCN(CC)CC(=O)N(C)CCCNc1ncccc1[N+](=O)[O-] ZINC001109452569 763722745 /nfs/dbraw/zinc/72/27/45/763722745.db2.gz VFDLLQOVNFHVEY-UHFFFAOYSA-N 0 3 323.397 1.592 20 5 DDBDHN CN(CCCNc1ccccc1[N+](=O)[O-])C(=O)CN1CCCC1 ZINC001109454825 763725578 /nfs/dbraw/zinc/72/55/78/763725578.db2.gz UDIYHLARXLVJQS-UHFFFAOYSA-N 0 3 320.393 1.951 20 5 DDBDHN COc1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)o1 ZINC001135660624 771636000 /nfs/dbraw/zinc/63/60/00/771636000.db2.gz RMFPMSDGBITCIG-UHFFFAOYSA-N 0 3 319.317 1.716 20 5 DDBDHN Cc1[nH]cnc1CC(=O)NCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094525122 775984460 /nfs/dbraw/zinc/98/44/60/775984460.db2.gz YEOTVEYAHDBZSY-UHFFFAOYSA-N 0 3 318.337 1.182 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCC(OC)OC)c1F ZINC001173188146 777036615 /nfs/dbraw/zinc/03/66/15/777036615.db2.gz IQUYXTMFLFSPBE-SECBINFHSA-N 0 3 316.329 1.882 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](C(=O)NC2CC2)C1 ZINC001119305542 781399271 /nfs/dbraw/zinc/39/92/71/781399271.db2.gz CHTNRNDKEGTXGM-LBPRGKRZSA-N 0 3 321.381 1.090 20 5 DDBDHN COC(=O)c1cc(C(=O)N[C@@H]2CCN(C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC001155892648 862536130 /nfs/dbraw/zinc/53/61/30/862536130.db2.gz KSKAISRNXXEDDA-TVQRCGJNSA-N 0 3 321.333 1.204 20 5 DDBDHN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@H](C)CN1 ZINC001121931902 858638280 /nfs/dbraw/zinc/63/82/80/858638280.db2.gz TVHKSQRTXKKURK-YIKOMLBNSA-N 0 3 303.362 1.907 20 5 DDBDHN Cc1nnsc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001123374277 859201364 /nfs/dbraw/zinc/20/13/64/859201364.db2.gz RADIPCXSWXUQTL-UHFFFAOYSA-N 0 3 321.362 1.274 20 5 DDBDHN COc1ccc(NC(=O)N2CCN3CC[C@H]2C3)c([N+](=O)[O-])c1 ZINC001123378084 859204176 /nfs/dbraw/zinc/20/41/76/859204176.db2.gz FFLHXQSLIKNALZ-JTQLQIEISA-N 0 3 306.322 1.525 20 5 DDBDHN Cn1cnc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)c1 ZINC001156557517 863145911 /nfs/dbraw/zinc/14/59/11/863145911.db2.gz GULUFDQJTLDQGS-UHFFFAOYSA-N 0 3 323.378 1.300 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(NC(=N)N2CCN(C)CC2)nc1Cl ZINC001157914340 864252915 /nfs/dbraw/zinc/25/29/15/864252915.db2.gz CGJGDEHWTCEULT-UHFFFAOYSA-N 0 3 312.761 1.546 20 5 DDBDHN COc1cc2ncnc(NCC3CN(C)C3)c2cc1[N+](=O)[O-] ZINC001159218976 865172639 /nfs/dbraw/zinc/17/26/39/865172639.db2.gz VAFVESLXZBPJLC-UHFFFAOYSA-N 0 3 303.322 1.520 20 5 DDBDHN C[C@@H](Nc1ncnc2cccc([N+](=O)[O-])c21)[C@H]1CNCCO1 ZINC001159502429 865361190 /nfs/dbraw/zinc/36/11/90/865361190.db2.gz MXEPXAAQTURTNR-BXKDBHETSA-N 0 3 303.322 1.327 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C1(C)CCCC1 ZINC001163510447 868496916 /nfs/dbraw/zinc/49/69/16/868496916.db2.gz REYCYTRFCRSEEX-UHFFFAOYSA-N 0 3 323.397 1.505 20 5 DDBDHN N[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C[C@H]1F ZINC001165118525 869387113 /nfs/dbraw/zinc/38/71/13/869387113.db2.gz ICMSWAIZZQDBBM-PHDIDXHHSA-N 0 3 310.663 1.674 20 5 DDBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1COC2(CNC2)C1 ZINC001341368683 871624641 /nfs/dbraw/zinc/62/46/41/871624641.db2.gz OWVBIBAPFZJSAX-SECBINFHSA-N 0 3 323.374 1.177 20 5 DDBDHN c1ccc2nc3c(cccc3O[C@@H]3CN4C[C@H]3NCC4)nc2c1 ZINC001218108536 877400325 /nfs/dbraw/zinc/40/03/25/877400325.db2.gz DNWDPHYWIDWRAC-NVXWUHKLSA-N 0 3 306.369 1.818 20 5 DDBDHN COC(=O)c1cnc(O[C@H]2CCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC001233863030 887397575 /nfs/dbraw/zinc/39/75/75/887397575.db2.gz UUMVVFRAYCLXKE-NSHDSACASA-N 0 3 309.322 1.638 20 5 DDBDHN NC(=O)NC1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254598668 896524893 /nfs/dbraw/zinc/52/48/93/896524893.db2.gz LMIBOSWGFIVNAC-CQSZACIVSA-N 0 3 304.350 1.195 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCN1CCCO ZINC000452348654 231356132 /nfs/dbraw/zinc/35/61/32/231356132.db2.gz LIZUDGYTNRJYCZ-CQSZACIVSA-N 0 3 321.377 1.480 20 5 DDBDHN COC[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000181651024 199332740 /nfs/dbraw/zinc/33/27/40/199332740.db2.gz MDYRXTUOVUPFMV-OAHLLOKOSA-N 0 3 317.345 1.734 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000286927838 219228768 /nfs/dbraw/zinc/22/87/68/219228768.db2.gz IWYBRTAFKCHITD-HZMBPMFUSA-N 0 3 320.349 1.154 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272606289 210004363 /nfs/dbraw/zinc/00/43/63/210004363.db2.gz JRFRMVBCCCPRSP-ZFWWWQNUSA-N 0 3 303.362 1.690 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C2=CCN(C)CC2)n1 ZINC000331210785 232795112 /nfs/dbraw/zinc/79/51/12/232795112.db2.gz RGGGKRSARPCJRU-SNVBAGLBSA-N 0 3 307.354 1.191 20 5 DDBDHN CC1(C)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000279920725 215238678 /nfs/dbraw/zinc/23/86/78/215238678.db2.gz WFHAJKWTPJWENC-ZDUSSCGKSA-N 0 3 307.350 1.626 20 5 DDBDHN CN(CCN(C)C1CC1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000287077953 219299668 /nfs/dbraw/zinc/29/96/68/219299668.db2.gz YDXYWHSLAPZUBM-UHFFFAOYSA-N 0 3 317.349 1.774 20 5 DDBDHN C[C@H](CN(C)C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000358535584 299190357 /nfs/dbraw/zinc/19/03/57/299190357.db2.gz XHMCJZRWCJFDJL-GFCCVEGCSA-N 0 3 308.382 1.729 20 5 DDBDHN COCCN(C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000063466938 352912668 /nfs/dbraw/zinc/91/26/68/352912668.db2.gz MNOSXBWMRGYPDG-UHFFFAOYSA-N 0 3 309.366 1.601 20 5 DDBDHN C[C@@H](NCCC(=O)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173383964 198208233 /nfs/dbraw/zinc/20/82/33/198208233.db2.gz RZSJIAYAFQMHBA-CYBMUJFWSA-N 0 3 320.393 1.410 20 5 DDBDHN CCN1CCN(CCNC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000173712160 198243690 /nfs/dbraw/zinc/24/36/90/198243690.db2.gz MFDNEQNOVIDGEA-UHFFFAOYSA-N 0 3 320.393 1.271 20 5 DDBDHN COCCN1CCC[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000069529192 353165815 /nfs/dbraw/zinc/16/58/15/353165815.db2.gz JPVJIFFOVWMPKC-LBPRGKRZSA-N 0 3 307.350 1.435 20 5 DDBDHN Cc1cc(NC[C@@H](O)CN2CCC(C)CC2)ncc1[N+](=O)[O-] ZINC000074749923 353328577 /nfs/dbraw/zinc/32/85/77/353328577.db2.gz FPOFCLWFTAKFAS-CYBMUJFWSA-N 0 3 308.382 1.803 20 5 DDBDHN Cc1cnc(N2CCN([C@H]3CCCN(C)C3)CC2)c([N+](=O)[O-])c1 ZINC000078664105 353527677 /nfs/dbraw/zinc/52/76/77/353527677.db2.gz IWLFBPLTDKCJQD-AWEZNQCLSA-N 0 3 319.409 1.514 20 5 DDBDHN COC(=O)C(C)(C)[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000093280904 353892208 /nfs/dbraw/zinc/89/22/08/353892208.db2.gz OCSYQBJWULVUSF-LBPRGKRZSA-N 0 3 324.381 1.703 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588862584 354944239 /nfs/dbraw/zinc/94/42/39/354944239.db2.gz GNUWJJLRWMGECZ-ZIAGYGMSSA-N 0 3 319.361 1.184 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590442833 355096816 /nfs/dbraw/zinc/09/68/16/355096816.db2.gz HLYSCOOTNPVXSX-BXUZGUMPSA-N 0 3 304.350 1.169 20 5 DDBDHN C[C@H](CCN1CCN(C)CC1)Nc1ncc([N+](=O)[O-])cc1F ZINC000591155720 355256549 /nfs/dbraw/zinc/25/65/49/355256549.db2.gz GDPCIDJXORKKPF-LLVKDONJSA-N 0 3 311.361 1.567 20 5 DDBDHN CC(C)[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCN1 ZINC000592246365 355546957 /nfs/dbraw/zinc/54/69/57/355546957.db2.gz KNTZEKUNLKBTNQ-GFCCVEGCSA-N 0 3 307.350 1.430 20 5 DDBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(CCN(C)C)C(=O)C1 ZINC000593050991 355780761 /nfs/dbraw/zinc/78/07/61/355780761.db2.gz JWJANWDZOIGRFT-ZDUSSCGKSA-N 0 3 320.393 1.362 20 5 DDBDHN CN(CCN1CCCCC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000593882442 356040146 /nfs/dbraw/zinc/04/01/46/356040146.db2.gz HKRWLOHNZCTGQW-UHFFFAOYSA-N 0 3 321.377 1.918 20 5 DDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CN)C(F)(F)F)c1 ZINC000594451998 356222836 /nfs/dbraw/zinc/22/28/36/356222836.db2.gz WLMYJRGCTZZERF-VIFPVBQESA-N 0 3 323.296 1.936 20 5 DDBDHN C[C@@H](N[C@H]1CCc2c(nnn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000594519949 356241468 /nfs/dbraw/zinc/24/14/68/356241468.db2.gz HLQFJHPYORUUJZ-PWSUYJOCSA-N 0 3 301.350 1.931 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCN1CCOC[C@@H]1C ZINC000595014365 356372378 /nfs/dbraw/zinc/37/23/78/356372378.db2.gz UZQSVCQCXNYJJO-STQMWFEESA-N 0 3 323.393 1.975 20 5 DDBDHN COc1ccc(CN(CCOCCO)C2CCC2)cc1[N+](=O)[O-] ZINC000595598488 356569447 /nfs/dbraw/zinc/56/94/47/356569447.db2.gz FDCVESROWLGZDA-UHFFFAOYSA-N 0 3 324.377 1.967 20 5 DDBDHN CN(CCN1CCCCC1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596293735 356847688 /nfs/dbraw/zinc/84/76/88/356847688.db2.gz DMSMUIOWHQPEIX-UHFFFAOYSA-N 0 3 306.366 1.616 20 5 DDBDHN Cc1c([C@H](C)NCc2nc(C[NH3+])cc(=O)[n-]2)cccc1[N+](=O)[O-] ZINC000596652777 356942596 /nfs/dbraw/zinc/94/25/96/356942596.db2.gz HJGWGGDLYPUSFM-JTQLQIEISA-N 0 3 317.349 1.708 20 5 DDBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1cccc([N+](=O)[O-])c1N)C2 ZINC000597716645 357300081 /nfs/dbraw/zinc/30/00/81/357300081.db2.gz RAJXVZFYIVNQSF-MRXNPFEDSA-N 0 3 318.377 1.735 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000597926258 357385475 /nfs/dbraw/zinc/38/54/75/357385475.db2.gz WYGICCFJOROFKG-LLVKDONJSA-N 0 3 306.366 1.901 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000598341645 357544760 /nfs/dbraw/zinc/54/47/60/357544760.db2.gz FFOHHSVQAUMUMV-GFCCVEGCSA-N 0 3 307.350 1.574 20 5 DDBDHN Cc1ccc(S(=O)(=O)N[C@@H]2CCCNC2)c(C)c1[N+](=O)[O-] ZINC000598713364 357700699 /nfs/dbraw/zinc/70/06/99/357700699.db2.gz BKPPQPAUOCPDKN-LLVKDONJSA-N 0 3 313.379 1.242 20 5 DDBDHN O=[N+]([O-])c1ccn(C2CCN(CCOC3CCOCC3)CC2)n1 ZINC000599395175 357921296 /nfs/dbraw/zinc/92/12/96/357921296.db2.gz BXBJHYXWBJRRPO-UHFFFAOYSA-N 0 3 324.381 1.624 20 5 DDBDHN CCN(C(=O)c1cccc([N+](=O)[O-])c1N)C1CCN(C)CC1 ZINC000599985318 358096906 /nfs/dbraw/zinc/09/69/06/358096906.db2.gz CALCZYFOURBFAL-UHFFFAOYSA-N 0 3 306.366 1.733 20 5 DDBDHN CN(C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180647941 199190801 /nfs/dbraw/zinc/19/08/01/199190801.db2.gz GAHLNPWNHSNQFE-UHFFFAOYSA-N 0 3 318.280 1.879 20 5 DDBDHN CN1CCN(CCCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000600963538 358360010 /nfs/dbraw/zinc/36/00/10/358360010.db2.gz XDWYYSBFHYIRRN-UHFFFAOYSA-N 0 3 324.356 1.101 20 5 DDBDHN CN(C)CCOC1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601115801 358408115 /nfs/dbraw/zinc/40/81/15/358408115.db2.gz KVAGHTQVJIAGID-UHFFFAOYSA-N 0 3 312.345 1.676 20 5 DDBDHN CN1CCN(CCNc2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601101355 358403124 /nfs/dbraw/zinc/40/31/24/358403124.db2.gz PITCELXFYJJJAJ-UHFFFAOYSA-N 0 3 315.377 1.224 20 5 DDBDHN CN(C)C[C@H](CO)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601591061 358615010 /nfs/dbraw/zinc/61/50/10/358615010.db2.gz ZDLIFMJONYVQPU-CYBMUJFWSA-N 0 3 321.377 1.055 20 5 DDBDHN O=C1[C@H](N2C[C@@H]3COC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000601975500 358761915 /nfs/dbraw/zinc/76/19/15/358761915.db2.gz WJOAFGPUCVUYEV-TYNCELHUSA-N 0 3 317.345 1.278 20 5 DDBDHN Cn1nccc1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602511769 359021550 /nfs/dbraw/zinc/02/15/50/359021550.db2.gz RJJXZMNPSHHTNK-UHFFFAOYSA-N 0 3 316.365 1.482 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@]2(CCCOC2)C1 ZINC000602786924 359191277 /nfs/dbraw/zinc/19/12/77/359191277.db2.gz ZUUQCNJJDZKQCK-HNNXBMFYSA-N 0 3 308.382 1.992 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000602795312 359197935 /nfs/dbraw/zinc/19/79/35/359197935.db2.gz HUHOLHMXOWNHJD-JSGCOSHPSA-N 0 3 318.381 1.879 20 5 DDBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1C[C@H](F)CN1 ZINC000188278692 200221420 /nfs/dbraw/zinc/22/14/20/200221420.db2.gz RUHDWMAYXRNKKS-JOYOIKCWSA-N 0 3 315.732 1.907 20 5 DDBDHN C[C@H](NC[C@@H](O)CN1CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000451106372 299303321 /nfs/dbraw/zinc/30/33/21/299303321.db2.gz OTNXDTURVDZMOK-SMDDNHRTSA-N 0 3 307.350 1.229 20 5 DDBDHN Cc1nn(C)c(N2CCCN(C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000610489220 360450158 /nfs/dbraw/zinc/45/01/58/360450158.db2.gz QUCGXBYJTQTJEI-CYBMUJFWSA-N 0 3 323.397 1.328 20 5 DDBDHN C[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)N(C)C ZINC000359035547 299312916 /nfs/dbraw/zinc/31/29/16/299312916.db2.gz BMGPUIBMQZXIFC-MRVPVSSYSA-N 0 3 317.292 1.876 20 5 DDBDHN CCC[C@H](NCCc1nnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000611327641 360699514 /nfs/dbraw/zinc/69/95/14/360699514.db2.gz NRVGMRHXMSXILL-ZDUSSCGKSA-N 0 3 304.354 1.792 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(c2ccncc2)CC1 ZINC000611533299 360751135 /nfs/dbraw/zinc/75/11/35/360751135.db2.gz UXSBRDHXUXHYTO-UHFFFAOYSA-N 0 3 316.365 1.317 20 5 DDBDHN CC1(C)[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000271899471 209308707 /nfs/dbraw/zinc/30/87/07/209308707.db2.gz VHSVESKTYMEWJP-VQISRLSMSA-N 0 3 319.361 1.936 20 5 DDBDHN C[C@@H](O)CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000281389934 216267557 /nfs/dbraw/zinc/26/75/57/216267557.db2.gz GGBLTGDWLZNXDJ-GHMZBOCLSA-N 0 3 319.365 1.362 20 5 DDBDHN CCC[NH2+]CC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000193346421 201035015 /nfs/dbraw/zinc/03/50/15/201035015.db2.gz VFMMGYZVFKMJJP-UHFFFAOYSA-N 0 3 315.395 1.490 20 5 DDBDHN CC(C)[C@H](CNc1cc(N)ccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000193381473 201043426 /nfs/dbraw/zinc/04/34/26/201043426.db2.gz UBVAEJYFPLNVHO-INIZCTEOSA-N 0 3 321.425 1.861 20 5 DDBDHN C[C@](O)(CO)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000619464241 364023798 /nfs/dbraw/zinc/02/37/98/364023798.db2.gz DBNVQFHIOFUAOG-OAHLLOKOSA-N 0 3 306.318 1.688 20 5 DDBDHN CO[C@H]1CCCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000275247720 212223314 /nfs/dbraw/zinc/22/33/14/212223314.db2.gz POHPZIQMRCCLIF-JSGCOSHPSA-N 0 3 307.350 1.741 20 5 DDBDHN CC(C)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000160006213 197379697 /nfs/dbraw/zinc/37/96/97/197379697.db2.gz XWVMXXSAOFAONE-LBPRGKRZSA-N 0 3 323.397 1.804 20 5 DDBDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)N1CCCC[C@H]1C ZINC000339003568 250242507 /nfs/dbraw/zinc/24/25/07/250242507.db2.gz OCJKYRYAEGHHQS-GHMZBOCLSA-N 0 3 321.381 1.764 20 5 DDBDHN CN(C)CC[C@@](C)(O)CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000352118218 284798346 /nfs/dbraw/zinc/79/83/46/284798346.db2.gz AHDBUIFTUNPKDO-MRXNPFEDSA-N 0 3 323.393 1.346 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@H]1CC[NH2+]C1 ZINC000110797713 194358937 /nfs/dbraw/zinc/35/89/37/194358937.db2.gz OTMCYOSYZPTCMR-LLVKDONJSA-N 0 3 313.379 1.181 20 5 DDBDHN CN(C)Cc1cccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000065777936 184379776 /nfs/dbraw/zinc/37/97/76/184379776.db2.gz KOEQHFOAJGPXOG-UHFFFAOYSA-N 0 3 317.349 1.882 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCC2=CCCOC2)c1 ZINC000567708491 304235523 /nfs/dbraw/zinc/23/55/23/304235523.db2.gz PTAUEPAXUYVKPY-CQSZACIVSA-N 0 3 308.334 1.271 20 5 DDBDHN CN(CCC(=O)N1CCOCC1)CCc1ccccc1[N+](=O)[O-] ZINC000352537796 285124346 /nfs/dbraw/zinc/12/43/46/285124346.db2.gz AGOBUXCQHJLRSH-UHFFFAOYSA-N 0 3 321.377 1.318 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C[C@H]1COCCN1 ZINC000422711130 533223152 /nfs/dbraw/zinc/22/31/52/533223152.db2.gz GRAUZRNZMPFUIJ-AAEUAGOBSA-N 0 3 309.366 1.460 20 5 DDBDHN Cc1cc(NC(=O)NCCOCCN(C)C)ccc1[N+](=O)[O-] ZINC000352903661 285376342 /nfs/dbraw/zinc/37/63/42/285376342.db2.gz SUQAACAWLGGIOZ-UHFFFAOYSA-N 0 3 310.354 1.603 20 5 DDBDHN CO[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451539475 533415866 /nfs/dbraw/zinc/41/58/66/533415866.db2.gz FISFUGJRPFNBHY-IVMMDQJWSA-N 0 3 324.377 1.691 20 5 DDBDHN O=C(NCCN[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccn[nH]1 ZINC000568647058 304303799 /nfs/dbraw/zinc/30/37/99/304303799.db2.gz JSEDINYBVVHRJY-LBPRGKRZSA-N 0 3 315.333 1.325 20 5 DDBDHN COC(=O)COc1ccc(CNCC[C@H](C)O)cc1[N+](=O)[O-] ZINC000353755638 285909449 /nfs/dbraw/zinc/90/94/49/285909449.db2.gz COHJPYFMTROOLK-JTQLQIEISA-N 0 3 312.322 1.007 20 5 DDBDHN CCOC(=O)c1ccnc(N2CCC[C@H]2CN(C)C)c1[N+](=O)[O-] ZINC000268603407 285968727 /nfs/dbraw/zinc/96/87/27/285968727.db2.gz KJEUFEXJEYFOKO-NSHDSACASA-N 0 3 322.365 1.697 20 5 DDBDHN C[C@@H]1C[C@@H](O)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000452095064 533675221 /nfs/dbraw/zinc/67/52/21/533675221.db2.gz KOTBOXWRTBVDEL-MRVWCRGKSA-N 0 3 310.350 1.037 20 5 DDBDHN CCN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000075851614 406943125 /nfs/dbraw/zinc/94/31/25/406943125.db2.gz XDFAQFDNWAIMBY-UHFFFAOYSA-N 0 3 312.395 1.024 20 5 DDBDHN CC(C)N1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000045430537 407043845 /nfs/dbraw/zinc/04/38/45/407043845.db2.gz ZPLKUHZRWPDPKY-UHFFFAOYSA-N 0 3 317.349 1.637 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@@H](CC(C)C)CN(C)C)c1[N+](=O)[O-] ZINC000128959089 407584242 /nfs/dbraw/zinc/58/42/42/407584242.db2.gz KJXPIWYRIBJJOG-NSHDSACASA-N 0 3 311.386 1.343 20 5 DDBDHN CN(C)[C@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000170863853 407534169 /nfs/dbraw/zinc/53/41/69/407534169.db2.gz OQTWPIKJNXMVOU-NSHDSACASA-N 0 3 302.334 1.852 20 5 DDBDHN COc1cc(C(=O)NC[C@@H](C)N(C)C2CC2)ccc1[N+](=O)[O-] ZINC000171104466 407598813 /nfs/dbraw/zinc/59/88/13/407598813.db2.gz CFRIQMDDWBTZLV-SNVBAGLBSA-N 0 3 307.350 1.816 20 5 DDBDHN CCc1n[nH]c(C(=O)NC[C@@H](C)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000171276992 407644793 /nfs/dbraw/zinc/64/47/93/407644793.db2.gz BGVVDARMYISUEE-LLVKDONJSA-N 0 3 323.397 1.731 20 5 DDBDHN Cc1nccn1CCCN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000130491253 407693602 /nfs/dbraw/zinc/69/36/02/407693602.db2.gz KFMWQFQMIZNZHO-UHFFFAOYSA-N 0 3 319.365 1.284 20 5 DDBDHN CC(C)OCCN1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000267029499 407722471 /nfs/dbraw/zinc/72/24/71/407722471.db2.gz KJMRWYMXNMXVAN-UHFFFAOYSA-N 0 3 324.385 1.268 20 5 DDBDHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000186716088 407754059 /nfs/dbraw/zinc/75/40/59/407754059.db2.gz DZXUCNXCRYHZGE-CZUORRHYSA-N 0 3 321.377 1.744 20 5 DDBDHN CC[C@H](C)[C@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237011639 407788756 /nfs/dbraw/zinc/78/87/56/407788756.db2.gz YUDKLWYGBPVINC-WFASDCNBSA-N 0 3 320.393 1.617 20 5 DDBDHN Cc1cccc(C(=O)NCCCN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000118723210 407937127 /nfs/dbraw/zinc/93/71/27/407937127.db2.gz JZCHAJZWKYKKPK-UHFFFAOYSA-N 0 3 321.377 1.480 20 5 DDBDHN CC(C)N(C)CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135532096 408028651 /nfs/dbraw/zinc/02/86/51/408028651.db2.gz JASJCATXCOAPOF-GFCCVEGCSA-N 0 3 321.381 1.343 20 5 DDBDHN NC(=O)C[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000175211416 408081247 /nfs/dbraw/zinc/08/12/47/408081247.db2.gz GQXKKMVTSFDMAP-LBPRGKRZSA-N 0 3 307.350 1.561 20 5 DDBDHN CO[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246122138 408147768 /nfs/dbraw/zinc/14/77/68/408147768.db2.gz NMZBZPAPDWCOTL-HIFRSBDPSA-N 0 3 310.350 1.445 20 5 DDBDHN CCC1(O)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273415438 408190435 /nfs/dbraw/zinc/19/04/35/408190435.db2.gz YFQGGOXXGOCPEI-ZDUSSCGKSA-N 0 3 324.377 1.571 20 5 DDBDHN COCCN1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000264538368 408526847 /nfs/dbraw/zinc/52/68/47/408526847.db2.gz AGVMVPBCJHUVEQ-LBPRGKRZSA-N 0 3 308.338 1.437 20 5 DDBDHN COc1cccc(C(=O)N2CCC[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000192501238 408600798 /nfs/dbraw/zinc/60/07/98/408600798.db2.gz YBGQMYZHAYWPRN-LLVKDONJSA-N 0 3 307.350 1.770 20 5 DDBDHN Cc1cc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000177170846 408541632 /nfs/dbraw/zinc/54/16/32/408541632.db2.gz KREAXUGTWZHSSU-QWRGUYRKSA-N 0 3 318.377 1.840 20 5 DDBDHN Cc1cc(C(=O)NCCCN2CCC(O)CC2)cc([N+](=O)[O-])c1 ZINC000265467766 408660814 /nfs/dbraw/zinc/66/08/14/408660814.db2.gz DQKOUHHXFJQUPJ-UHFFFAOYSA-N 0 3 321.377 1.480 20 5 DDBDHN C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H](C)C1 ZINC000249890884 408770127 /nfs/dbraw/zinc/77/01/27/408770127.db2.gz STEKDNZZAHAXKO-NWDGAFQWSA-N 0 3 309.370 1.028 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCOC[C@H]1C ZINC000277297263 408914043 /nfs/dbraw/zinc/91/40/43/408914043.db2.gz CFCPFXQQBDEHCD-PWSUYJOCSA-N 0 3 323.349 1.557 20 5 DDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000277413196 408936039 /nfs/dbraw/zinc/93/60/39/408936039.db2.gz CIPCRYDABPEHCH-ZDUSSCGKSA-N 0 3 318.377 1.924 20 5 DDBDHN COCCNCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000212766865 163329609 /nfs/dbraw/zinc/32/96/09/163329609.db2.gz VTGXMTMASLLUER-UHFFFAOYSA-N 0 3 301.730 1.214 20 5 DDBDHN COC(=O)[C@]1(C)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000282261603 409021338 /nfs/dbraw/zinc/02/13/38/409021338.db2.gz CVQMMJVAEOFLSY-DIOULYMOSA-N 0 3 322.361 1.759 20 5 DDBDHN CC(C)[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCCO1 ZINC000293237217 409072871 /nfs/dbraw/zinc/07/28/71/409072871.db2.gz SOXGYDWWQSZGNJ-AWEZNQCLSA-N 0 3 309.366 1.503 20 5 DDBDHN C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000293786034 409179401 /nfs/dbraw/zinc/17/94/01/409179401.db2.gz WMCLEHXZQJQFAY-NSHDSACASA-N 0 3 321.381 1.275 20 5 DDBDHN Cc1cc(C(=O)Nc2ccnn2CCN(C)C)cc([N+](=O)[O-])c1 ZINC000294171033 409252874 /nfs/dbraw/zinc/25/28/74/409252874.db2.gz SNSYXTZXDFXVHA-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(C)CO ZINC000295241772 409393249 /nfs/dbraw/zinc/39/32/49/409393249.db2.gz PKMZTDOWVRGMSS-LBPRGKRZSA-N 0 3 312.366 1.285 20 5 DDBDHN Cc1ccc(CNC[C@@](C)(O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000304355609 409614814 /nfs/dbraw/zinc/61/48/14/409614814.db2.gz SFDYOVZNCGHBCK-MRXNPFEDSA-N 0 3 323.393 1.076 20 5 DDBDHN C[C@H](N[C@H]1CCCN(C)[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000342737008 409861037 /nfs/dbraw/zinc/86/10/37/409861037.db2.gz NQNDZCHSFPLJQU-ZOWXZIJZSA-N 0 3 320.393 1.994 20 5 DDBDHN CNc1ccc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000317099095 409861720 /nfs/dbraw/zinc/86/17/20/409861720.db2.gz BIAQNKFBILJHQE-JQWIXIFHSA-N 0 3 306.366 1.849 20 5 DDBDHN CC1(C)CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCN1 ZINC000332240319 410007897 /nfs/dbraw/zinc/00/78/97/410007897.db2.gz IWBVWJOXNSNFQF-UHFFFAOYSA-N 0 3 316.361 1.760 20 5 DDBDHN C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@@H]1C ZINC000343066371 410115332 /nfs/dbraw/zinc/11/53/32/410115332.db2.gz FKWORRPFEYYIDH-NWDGAFQWSA-N 0 3 309.370 1.170 20 5 DDBDHN COc1cc(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343462144 410469888 /nfs/dbraw/zinc/46/98/88/410469888.db2.gz SVSKYJSTVGPQLM-ZYHUDNBSSA-N 0 3 307.350 1.816 20 5 DDBDHN CNC(=O)c1ccc(N(C)[C@@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301430494 410720621 /nfs/dbraw/zinc/72/06/21/410720621.db2.gz QEUQLFADGMXJQH-DGCLKSJQSA-N 0 3 320.393 1.873 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000330585674 410800096 /nfs/dbraw/zinc/80/00/96/410800096.db2.gz LMJAWGNPQMDSOE-VNHYZAJKSA-N 0 3 323.393 1.359 20 5 DDBDHN COc1c(C(=O)N2CCC[C@@H]2CN(C)C)cccc1[N+](=O)[O-] ZINC000331059665 410925305 /nfs/dbraw/zinc/92/53/05/410925305.db2.gz NDOVMWFIORWHIE-LLVKDONJSA-N 0 3 307.350 1.770 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CCN1C ZINC000341187161 410925288 /nfs/dbraw/zinc/92/52/88/410925288.db2.gz CGVZSRHUSOHKHF-TZMCWYRMSA-N 0 3 320.393 1.919 20 5 DDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356319017 410963269 /nfs/dbraw/zinc/96/32/69/410963269.db2.gz YTYLLAMMRNCNDP-MNOVXSKESA-N 0 3 307.354 1.027 20 5 DDBDHN CN(C)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000348657342 411049913 /nfs/dbraw/zinc/04/99/13/411049913.db2.gz UILRIXNYBZMUOD-UHFFFAOYSA-N 0 3 303.322 1.310 20 5 DDBDHN CC1CCC(N2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC000360341351 411129078 /nfs/dbraw/zinc/12/90/78/411129078.db2.gz HQJUXYKPUYKPFP-UHFFFAOYSA-N 0 3 320.397 1.668 20 5 DDBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2C[C@@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000580446426 422933733 /nfs/dbraw/zinc/93/37/33/422933733.db2.gz LDMKTLBFGMTLTP-LEWSCRJBSA-N 0 3 321.377 1.979 20 5 DDBDHN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1CCO ZINC000419336575 226123081 /nfs/dbraw/zinc/12/30/81/226123081.db2.gz XHRUDGNGMWGPDC-UONOGXRCSA-N 0 3 307.394 1.524 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000375057014 418597427 /nfs/dbraw/zinc/59/74/27/418597427.db2.gz DPTNQYBJAPRMEX-WFASDCNBSA-N 0 3 319.361 1.526 20 5 DDBDHN CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H](C)OC ZINC000291348784 222329871 /nfs/dbraw/zinc/32/98/71/222329871.db2.gz XQHMJHLNLMXWPD-GXTWGEPZSA-N 0 3 312.366 1.691 20 5 DDBDHN CCO[C@H]1C[C@@H](NCc2c([N+](=O)[O-])ncn2C)C12CCOCC2 ZINC000367566889 418611430 /nfs/dbraw/zinc/61/14/30/418611430.db2.gz SYVJPBYBMCAYBT-OLZOCXBDSA-N 0 3 324.381 1.392 20 5 DDBDHN COCCCN(C)CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347414855 418639049 /nfs/dbraw/zinc/63/90/49/418639049.db2.gz MOQQCRRIRQWUAM-UHFFFAOYSA-N 0 3 319.365 1.918 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000383336349 418733624 /nfs/dbraw/zinc/73/36/24/418733624.db2.gz WSAHRKUCHFANPR-SECBINFHSA-N 0 3 323.321 1.164 20 5 DDBDHN COc1ccc(CNC(=O)[C@@H]2C[C@@H](C)CCN2)cc1[N+](=O)[O-] ZINC000423055130 227329295 /nfs/dbraw/zinc/32/92/95/227329295.db2.gz CSWIQWSTCSROEK-JQWIXIFHSA-N 0 3 307.350 1.608 20 5 DDBDHN N[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1c1ccccc1F ZINC000424026014 228221075 /nfs/dbraw/zinc/22/10/75/228221075.db2.gz JSYOQPVFHLDBJS-GXSJLCMTSA-N 0 3 319.296 1.024 20 5 DDBDHN COCCNCCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417860704 419359479 /nfs/dbraw/zinc/35/94/79/419359479.db2.gz YVLLNJVSTDWCFC-LBPRGKRZSA-N 0 3 324.381 1.499 20 5 DDBDHN Cc1c(CNC(=O)N2CCN[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000418082584 419521073 /nfs/dbraw/zinc/52/10/73/419521073.db2.gz QQILTMJZPHTKSP-RYUDHWBXSA-N 0 3 306.366 1.795 20 5 DDBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2CNCCO2)o1 ZINC000415095185 419940232 /nfs/dbraw/zinc/94/02/32/419940232.db2.gz LRVNQKZYXDLGFH-CYBMUJFWSA-N 0 3 317.345 1.933 20 5 DDBDHN Cc1cc(C(=O)NC[C@@](C)(O)CCN(C)C)cc([N+](=O)[O-])c1 ZINC000420029282 420099294 /nfs/dbraw/zinc/09/92/94/420099294.db2.gz DBELXCZCDCEYFF-HNNXBMFYSA-N 0 3 309.366 1.336 20 5 DDBDHN CCCC[C@@H](N)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423828417 420213014 /nfs/dbraw/zinc/21/30/14/420213014.db2.gz QAQQOMYGFJJCPO-GFCCVEGCSA-N 0 3 309.370 1.472 20 5 DDBDHN NC(=O)[C@@H]1CCCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444680609 230119078 /nfs/dbraw/zinc/11/90/78/230119078.db2.gz QIJOHFJRHDQHAL-GHMZBOCLSA-N 0 3 317.349 1.605 20 5 DDBDHN CCN1CCCC[C@@H]1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000439162718 420482974 /nfs/dbraw/zinc/48/29/74/420482974.db2.gz ZUOPFRSNRSMDFD-LLVKDONJSA-N 0 3 306.366 1.980 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CCCC1(C)C ZINC000457077256 420602983 /nfs/dbraw/zinc/60/29/83/420602983.db2.gz OZAPUIUUIBJYBA-UHFFFAOYSA-N 0 3 306.366 1.902 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCN2CCCC2(C)C)n1 ZINC000457064582 420599394 /nfs/dbraw/zinc/59/93/94/420599394.db2.gz XAGZYONSPGBJFU-UHFFFAOYSA-N 0 3 309.370 1.415 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCCN1CCO ZINC000452792474 420663376 /nfs/dbraw/zinc/66/33/76/420663376.db2.gz GFTCIJVEXMWCRO-HNNXBMFYSA-N 0 3 321.377 1.100 20 5 DDBDHN O=C(CCN[C@H](CO)[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000447918604 420819179 /nfs/dbraw/zinc/81/91/79/420819179.db2.gz ZTNNTQHZZBYKID-KGLIPLIRSA-N 0 3 323.349 1.053 20 5 DDBDHN COc1ccc(NC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000455096615 420967918 /nfs/dbraw/zinc/96/79/18/420967918.db2.gz HAGGLEROFMMCTQ-GXFFZTMASA-N 0 3 320.349 1.771 20 5 DDBDHN COC(=O)c1cc(NC(=O)[C@H](C)NC2CC2)cc([N+](=O)[O-])c1 ZINC000449248831 420974778 /nfs/dbraw/zinc/97/47/78/420974778.db2.gz HXWOOOVOYQJINQ-QMMMGPOBSA-N 0 3 307.306 1.460 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1cccnc1 ZINC000560260921 421241315 /nfs/dbraw/zinc/24/13/15/421241315.db2.gz DOJKIWYLADNETM-ZDUSSCGKSA-N 0 3 303.318 1.519 20 5 DDBDHN CCN1CC[C@H]2OCCN(c3cc(C)c([N+](=O)[O-])cn3)[C@H]2C1 ZINC000514720040 421448837 /nfs/dbraw/zinc/44/88/37/421448837.db2.gz ULTPMPXQKSTJSC-UONOGXRCSA-N 0 3 306.366 1.598 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCCC[C@H]3O)CC2)cn1 ZINC000538743388 421743031 /nfs/dbraw/zinc/74/30/31/421743031.db2.gz AHMXLJKDFCTQQV-ZIAGYGMSSA-N 0 3 306.366 1.415 20 5 DDBDHN COc1cc(C(=O)NC[C@@H](C)N2CCCC2)ccc1[N+](=O)[O-] ZINC000522316566 421824427 /nfs/dbraw/zinc/82/44/27/421824427.db2.gz QNYWXWSGDWRBRC-LLVKDONJSA-N 0 3 307.350 1.818 20 5 DDBDHN CN1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000557334222 421768716 /nfs/dbraw/zinc/76/87/16/421768716.db2.gz DAFPTFBAUJWPAX-CQSZACIVSA-N 0 3 323.393 1.361 20 5 DDBDHN Cc1ccnc([C@@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000575813473 422330719 /nfs/dbraw/zinc/33/07/19/422330719.db2.gz XPXNYBUXGBAPRK-CYBMUJFWSA-N 0 3 301.350 1.984 20 5 DDBDHN CNc1nccc(C(=O)N(C)CCN2CCCCC2)c1[N+](=O)[O-] ZINC000594373429 422348107 /nfs/dbraw/zinc/34/81/07/422348107.db2.gz TVOCDAWNRRAZFZ-UHFFFAOYSA-N 0 3 321.381 1.589 20 5 DDBDHN Cc1c(CN)c(NC(=O)c2ccc([N+](=O)[O-])cc2C)nn1C ZINC000595963021 422359551 /nfs/dbraw/zinc/35/95/51/422359551.db2.gz XVJNHSNIJMSHHU-UHFFFAOYSA-N 0 3 303.322 1.656 20 5 DDBDHN CS(=O)(=O)N1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000035251565 263254399 /nfs/dbraw/zinc/25/43/99/263254399.db2.gz NSYYTQBSNAQAGE-UHFFFAOYSA-N 0 3 313.379 1.108 20 5 DDBDHN COC(=O)c1cc(C)nc(N2CCN(C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000342144137 271318326 /nfs/dbraw/zinc/31/83/26/271318326.db2.gz XDTNIHXUVWSWKU-NSHDSACASA-N 0 3 322.365 1.615 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(CC3CCCC3)C2)n1 ZINC000345300448 272213214 /nfs/dbraw/zinc/21/32/14/272213214.db2.gz KAGSXLZTEIJZJU-LBPRGKRZSA-N 0 3 321.381 1.323 20 5 DDBDHN O=[N+]([O-])c1ccc2nc(N3CCCN(CCO)CC3)ccc2c1 ZINC000171506908 275038854 /nfs/dbraw/zinc/03/88/54/275038854.db2.gz VITJFANNHOVGGM-UHFFFAOYSA-N 0 3 316.361 1.647 20 5 DDBDHN COCCOC1(CNCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000294741748 277535571 /nfs/dbraw/zinc/53/55/71/277535571.db2.gz HHXWTZNUGNFYJF-UHFFFAOYSA-N 0 3 324.377 1.897 20 5 DDBDHN CCN(C)C(=O)CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331351479 279020439 /nfs/dbraw/zinc/02/04/39/279020439.db2.gz WLYDIKJFUNJQGN-NWDGAFQWSA-N 0 3 309.370 1.343 20 5 DDBDHN CCN1CCN(CCC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130568997 281385401 /nfs/dbraw/zinc/38/54/01/281385401.db2.gz KQQSCFUINZTDHU-UHFFFAOYSA-N 0 3 320.393 1.239 20 5 DDBDHN C[C@H]1Cc2ccccc2CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247347520 282047649 /nfs/dbraw/zinc/04/76/49/282047649.db2.gz GLQMLHMIUYTUQV-BLLLJJGKSA-N 0 3 316.361 1.599 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)[C@H]1CCOC1 ZINC000162737683 298201875 /nfs/dbraw/zinc/20/18/75/298201875.db2.gz FWQJGMNMVNNYPT-RYUDHWBXSA-N 0 3 307.350 1.856 20 5 DDBDHN CN1CC[C@](O)(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000358038652 299053952 /nfs/dbraw/zinc/05/39/52/299053952.db2.gz BONMIRGURBLDBF-HNNXBMFYSA-N 0 3 319.317 1.137 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C[C@H]21 ZINC000362290460 300045163 /nfs/dbraw/zinc/04/51/63/300045163.db2.gz RVCCBSIBDURWLK-ZWNOBZJWSA-N 0 3 304.350 1.343 20 5 DDBDHN Cc1cc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc([N+](=O)[O-])c1 ZINC000363125569 300215776 /nfs/dbraw/zinc/21/57/76/300215776.db2.gz RFBOOHWYROVARE-ZFWWWQNUSA-N 0 3 319.361 1.496 20 5 DDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000363198072 300229635 /nfs/dbraw/zinc/22/96/35/300229635.db2.gz YZGJWVLRKDKTSD-NWDGAFQWSA-N 0 3 305.334 1.188 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C[C@H]21 ZINC000364307975 300373172 /nfs/dbraw/zinc/37/31/72/300373172.db2.gz NTTLXUNWYNSWHL-IINYFYTJSA-N 0 3 304.350 1.343 20 5 DDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000288590583 300421455 /nfs/dbraw/zinc/42/14/55/300421455.db2.gz YBGGPJKZVBMZRW-NWDGAFQWSA-N 0 3 318.377 1.876 20 5 DDBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000366197112 300658608 /nfs/dbraw/zinc/65/86/08/300658608.db2.gz ANDOFKNPZGEIRV-ZDUSSCGKSA-N 0 3 319.361 1.578 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000368217985 300979594 /nfs/dbraw/zinc/97/95/94/300979594.db2.gz CERWSIJGVAFDTG-DLBZAZTESA-N 0 3 319.405 1.934 20 5 DDBDHN CCc1ccccc1[C@H](N)CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000517356948 302811530 /nfs/dbraw/zinc/81/15/30/302811530.db2.gz UUUGYRIEWNMDGC-CQSZACIVSA-N 0 3 316.361 1.926 20 5 DDBDHN CNc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000532078036 303275005 /nfs/dbraw/zinc/27/50/05/303275005.db2.gz IJQDDULYVBYBNF-IINYFYTJSA-N 0 3 318.377 1.849 20 5 DDBDHN C[C@H]1CN(C2CCOCC2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000364802578 307051676 /nfs/dbraw/zinc/05/16/76/307051676.db2.gz FVNKGXLQSHWPBB-NSHDSACASA-N 0 3 307.354 1.074 20 5 DDBDHN COC(=O)[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000366655081 307078660 /nfs/dbraw/zinc/07/86/60/307078660.db2.gz PPHGCWNJCJYTCS-KBPBESRZSA-N 0 3 322.361 1.759 20 5 DDBDHN CC(COC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1)[N+](=O)[O-] ZINC000496582005 307351904 /nfs/dbraw/zinc/35/19/04/307351904.db2.gz IYNXMGBSGGYNCQ-UWVGGRQHSA-N 0 3 316.354 1.983 20 5 DDBDHN O=C1OCCN1C[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000496780943 307360879 /nfs/dbraw/zinc/36/08/79/307360879.db2.gz IQYMWXYBLBBDID-CQSZACIVSA-N 0 3 319.361 1.911 20 5 DDBDHN CC[C@@H]1CN(C)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000570000420 308156287 /nfs/dbraw/zinc/15/62/87/308156287.db2.gz NSOLFDQBVDOSHG-SNVBAGLBSA-N 0 3 317.349 1.637 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCCN1CCOCC1 ZINC000582735930 337127960 /nfs/dbraw/zinc/12/79/60/337127960.db2.gz PVTBEXWGXYNTIO-HNNXBMFYSA-N 0 3 305.378 1.894 20 5 DDBDHN C[C@@H]1CCN[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000422938770 534107426 /nfs/dbraw/zinc/10/74/26/534107426.db2.gz PYQDCQZTLZMJCR-YPMHNXCESA-N 0 3 306.366 1.511 20 5 DDBDHN C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000331338431 534460302 /nfs/dbraw/zinc/46/03/02/534460302.db2.gz JMEIXTJWSHQKBG-OLZOCXBDSA-N 0 3 320.393 1.948 20 5 DDBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@@H+]1C ZINC000820664759 599589578 /nfs/dbraw/zinc/58/95/78/599589578.db2.gz BQDHMOSQSCXTNL-ZJUUUORDSA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1C ZINC000820664759 599589580 /nfs/dbraw/zinc/58/95/80/599589580.db2.gz BQDHMOSQSCXTNL-ZJUUUORDSA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1C ZINC000820664759 599589582 /nfs/dbraw/zinc/58/95/82/599589582.db2.gz BQDHMOSQSCXTNL-ZJUUUORDSA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1C ZINC000820664759 599589584 /nfs/dbraw/zinc/58/95/84/599589584.db2.gz BQDHMOSQSCXTNL-ZJUUUORDSA-N 0 3 317.353 1.670 20 5 DDBDHN C[NH+](C)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821582876 606857937 /nfs/dbraw/zinc/85/79/37/606857937.db2.gz AQYIUKWCGCOFFK-NSHDSACASA-N 0 3 317.353 1.305 20 5 DDBDHN C[NH+](C)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821582876 606857939 /nfs/dbraw/zinc/85/79/39/606857939.db2.gz AQYIUKWCGCOFFK-NSHDSACASA-N 0 3 317.353 1.305 20 5 DDBDHN CN(CCc1cnccn1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776599212 698125580 /nfs/dbraw/zinc/12/55/80/698125580.db2.gz XDFSXOWFLUABFD-OAHLLOKOSA-N 0 3 302.334 1.593 20 5 DDBDHN CC(C)N1CCO[C@@H](C(=N)NOCc2ccccc2[N+](=O)[O-])C1 ZINC000779654735 698449986 /nfs/dbraw/zinc/44/99/86/698449986.db2.gz QQQWUCJVDZYUNG-CQSZACIVSA-N 0 3 322.365 1.702 20 5 DDBDHN CCN(CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)C(C)C ZINC000780857627 698563647 /nfs/dbraw/zinc/56/36/47/698563647.db2.gz ZNLAVVICESVPQJ-UHFFFAOYSA-N 0 3 321.424 1.665 20 5 DDBDHN COCCN1CC[C@@H](Nc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000730806821 699516217 /nfs/dbraw/zinc/51/62/17/699516217.db2.gz MNKGRPPDMQMJOS-LLVKDONJSA-N 0 3 305.338 1.375 20 5 DDBDHN CN(c1nc2ccccn2c1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000733192176 699582829 /nfs/dbraw/zinc/58/28/29/699582829.db2.gz XFZXCUCSDDSDLF-LBPRGKRZSA-N 0 3 301.350 1.915 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000742058396 699858970 /nfs/dbraw/zinc/85/89/70/699858970.db2.gz BDMDYHXZBOONGU-OLZOCXBDSA-N 0 3 319.361 1.496 20 5 DDBDHN COCCn1cc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000742370089 699875971 /nfs/dbraw/zinc/87/59/71/699875971.db2.gz QVPRMSKUHQTVBP-HNNXBMFYSA-N 0 3 320.349 1.261 20 5 DDBDHN CCN(CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1F ZINC000810042282 701715818 /nfs/dbraw/zinc/71/58/18/701715818.db2.gz ZNKFADMQMWOULB-UHFFFAOYSA-N 0 3 320.342 1.784 20 5 DDBDHN COC(=O)[C@@]1(C)CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839668354 701773886 /nfs/dbraw/zinc/77/38/86/701773886.db2.gz ZRGXFQMRYHLJCZ-ZBFHGGJFSA-N 0 3 322.361 1.903 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)[C@@H]2C1 ZINC000816950099 702234419 /nfs/dbraw/zinc/23/44/19/702234419.db2.gz LVEWAWGJOSJTTG-QMTHXVAHSA-N 0 3 323.324 1.275 20 5 DDBDHN CC(COC(=O)C(C)(C)N1C(=O)c2ccccc2C1=O)[N+](=O)[O-] ZINC000813107586 702293967 /nfs/dbraw/zinc/29/39/67/702293967.db2.gz ORDZULWVWVUUMD-SECBINFHSA-N 0 3 320.301 1.270 20 5 DDBDHN CC(COC(=O)c1cc(N2CCNC2=O)ccc1F)[N+](=O)[O-] ZINC000813111385 702296877 /nfs/dbraw/zinc/29/68/77/702296877.db2.gz SKBOMONOEYDFFS-QMMMGPOBSA-N 0 3 311.269 1.177 20 5 DDBDHN COC(=O)N1CC(N[C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866307820 706670302 /nfs/dbraw/zinc/67/03/02/706670302.db2.gz KKKCOCMEOTYXEV-SECBINFHSA-N 0 3 311.313 1.705 20 5 DDBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1Cc1ccccc1 ZINC000817740120 702466466 /nfs/dbraw/zinc/46/64/66/702466466.db2.gz VSSDXMYYIRULGE-NSHDSACASA-N 0 3 318.333 1.711 20 5 DDBDHN CC([C@H](OC(=O)CS(C)(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845875532 703211344 /nfs/dbraw/zinc/21/13/44/703211344.db2.gz NDIOPYHLJWTSHZ-UFBFGSQYSA-N 0 3 319.310 1.120 20 5 DDBDHN C[C@@H](NC[C@H]1CN(C2CC2)C(=O)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848569841 703563706 /nfs/dbraw/zinc/56/37/06/703563706.db2.gz HUZIMJTXFDCCDN-SKDRFNHKSA-N 0 3 320.349 1.811 20 5 DDBDHN C[NH+](C)CC[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848579642 703564977 /nfs/dbraw/zinc/56/49/77/703564977.db2.gz KTDBUKHNJRGFPT-UHFFFAOYSA-N 0 3 303.265 1.244 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2CCN(C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871153397 704232705 /nfs/dbraw/zinc/23/27/05/704232705.db2.gz FSDSSPZAPLYXHC-UHFFFAOYSA-N 0 3 323.397 1.827 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2CCN(C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871153397 704232708 /nfs/dbraw/zinc/23/27/08/704232708.db2.gz FSDSSPZAPLYXHC-UHFFFAOYSA-N 0 3 323.397 1.827 20 5 DDBDHN CN(C)CCN(CC(=O)N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000853833926 704323578 /nfs/dbraw/zinc/32/35/78/704323578.db2.gz QLPOMEPGPDWLNJ-UHFFFAOYSA-N 0 3 312.345 1.190 20 5 DDBDHN O=C1NCC[C@@H]1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000821343008 704393886 /nfs/dbraw/zinc/39/38/86/704393886.db2.gz TUBUIIKIQTWLQB-CYBMUJFWSA-N 0 3 318.377 1.243 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000859924850 705042848 /nfs/dbraw/zinc/04/28/48/705042848.db2.gz PRPXLECBBGWSOE-CWRNSKLLSA-N 0 3 306.362 1.723 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000826970471 705903135 /nfs/dbraw/zinc/90/31/35/705903135.db2.gz MPINPKCLVFHPEF-IXPVHAAZSA-N 0 3 319.361 1.370 20 5 DDBDHN C[C@@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000828905411 706253411 /nfs/dbraw/zinc/25/34/11/706253411.db2.gz WPIPNMOQBOVGAA-ABAIWWIYSA-N 0 3 319.361 1.395 20 5 DDBDHN NC(=O)[C@@H](F)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000879044768 706571370 /nfs/dbraw/zinc/57/13/70/706571370.db2.gz FYNCATUVCWIMFA-AWEZNQCLSA-N 0 3 309.341 1.673 20 5 DDBDHN CN(CCOC(=O)c1c([N+](=O)[O-])cnn1C)Cc1ccccc1 ZINC000837610702 707695043 /nfs/dbraw/zinc/69/50/43/707695043.db2.gz YUWJRNPWVGQDHG-UHFFFAOYSA-N 0 3 318.333 1.617 20 5 DDBDHN Cn1nccc1[C@H](O)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000897302667 708284447 /nfs/dbraw/zinc/28/44/47/708284447.db2.gz TWHLLVVZPJDLGT-CYBMUJFWSA-N 0 3 310.741 1.805 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNCC[C@H](O)C1CC1)OCCO2 ZINC000898206719 708572862 /nfs/dbraw/zinc/57/28/62/708572862.db2.gz UBKFIWWYVDTNFC-ZDUSSCGKSA-N 0 3 308.334 1.617 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNCC[C@@H](O)C1CC1)OCCO2 ZINC000898206718 708572866 /nfs/dbraw/zinc/57/28/66/708572866.db2.gz UBKFIWWYVDTNFC-CYBMUJFWSA-N 0 3 308.334 1.617 20 5 DDBDHN O=[N+]([O-])c1ccc(CO)c(-c2ccc(C3(O)CNC3)cc2)c1 ZINC000899323171 709058118 /nfs/dbraw/zinc/05/81/18/709058118.db2.gz ODZCVNOVKDMQSB-UHFFFAOYSA-N 0 3 300.314 1.545 20 5 DDBDHN CCN1CCN(C[C@@H](C)CNc2c([N+](=O)[O-])cnn2C)CC1 ZINC000891897639 710321096 /nfs/dbraw/zinc/32/10/96/710321096.db2.gz MFQKDOIZHORZBC-LBPRGKRZSA-N 0 3 310.402 1.014 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCN1C ZINC000928455747 713204530 /nfs/dbraw/zinc/20/45/30/713204530.db2.gz UMMYINBGMWZOOQ-ZWNOBZJWSA-N 0 3 306.366 1.483 20 5 DDBDHN CN1C[C@@H]2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@@H]2C1 ZINC000893939090 710893146 /nfs/dbraw/zinc/89/31/46/710893146.db2.gz HFDVBUMDOKJOLS-XHDPSFHLSA-N 0 3 316.361 1.620 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])CCN1C ZINC000913933882 713321942 /nfs/dbraw/zinc/32/19/42/713321942.db2.gz USZZDXSDUPAFSR-RYUDHWBXSA-N 0 3 321.381 1.399 20 5 DDBDHN C[NH+](C)C1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000916955215 713476003 /nfs/dbraw/zinc/47/60/03/713476003.db2.gz GIIXAVGRGIZSRE-UHFFFAOYSA-N 0 3 317.342 1.105 20 5 DDBDHN CC(C)(C)OC(=O)CCN(CC[N+](=O)[O-])C1CCOCC1 ZINC000930808753 713925051 /nfs/dbraw/zinc/92/50/51/713925051.db2.gz KTEZDSFZXWEFLZ-UHFFFAOYSA-N 0 3 302.371 1.476 20 5 DDBDHN C[C@H]1[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000925317524 714806891 /nfs/dbraw/zinc/80/68/91/714806891.db2.gz MCKAOCIKYMURRK-WCQYABFASA-N 0 3 306.366 1.829 20 5 DDBDHN Cn1cc(CN2CCCC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])n1 ZINC000934832076 714912785 /nfs/dbraw/zinc/91/27/85/714912785.db2.gz NIFDRDMJQCTBSO-QWHCGFSZSA-N 0 3 308.382 1.967 20 5 DDBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccn[nH]1 ZINC001019999608 736961918 /nfs/dbraw/zinc/96/19/18/736961918.db2.gz WPZRKQGWHXPYBG-HAQNSBGRSA-N 0 3 315.333 1.369 20 5 DDBDHN CCCCOCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125078294 748835289 /nfs/dbraw/zinc/83/52/89/748835289.db2.gz OATUFUJJZWJPLV-UHFFFAOYSA-N 0 3 309.366 1.617 20 5 DDBDHN CC(C)N(C)CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cn1 ZINC001107234057 749663968 /nfs/dbraw/zinc/66/39/68/749663968.db2.gz WMEJFWXVVRDHJO-SNAWJCMRSA-N 0 3 321.381 1.414 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1CCO ZINC001170352517 766260723 /nfs/dbraw/zinc/26/07/23/766260723.db2.gz XNDMNPBVMDMQMM-DVOMOZLQSA-N 0 3 323.393 1.015 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1(C2CC2)CC1 ZINC001130017195 767135757 /nfs/dbraw/zinc/13/57/57/767135757.db2.gz WBWRGECIKNQINQ-UHFFFAOYSA-N 0 3 303.362 1.991 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)CN(C)C(C)C)c1 ZINC001100149975 775735558 /nfs/dbraw/zinc/73/55/58/775735558.db2.gz XYRREWWZDXCJHE-UHFFFAOYSA-N 0 3 322.409 1.796 20 5 DDBDHN CCN(CCNC(=O)CN(C)C(C)C)c1ncccc1[N+](=O)[O-] ZINC001100546922 776292618 /nfs/dbraw/zinc/29/26/18/776292618.db2.gz YLCRJXGLDOYOPM-UHFFFAOYSA-N 0 3 323.397 1.273 20 5 DDBDHN CCNC(=O)CN(C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907067 776918265 /nfs/dbraw/zinc/91/82/65/776918265.db2.gz CMEVWUXUCATIQF-AWEZNQCLSA-N 0 3 305.378 1.910 20 5 DDBDHN CCNC(=O)CN[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180656 777035582 /nfs/dbraw/zinc/03/55/82/777035582.db2.gz XZHLPPDTXJERMP-SECBINFHSA-N 0 3 313.329 1.399 20 5 DDBDHN Cc1ccnc(NCCN(C)C(=O)CN2CCCC2)c1[N+](=O)[O-] ZINC001101633286 777328498 /nfs/dbraw/zinc/32/84/98/777328498.db2.gz JIQAMTDBEDBWLL-UHFFFAOYSA-N 0 3 321.381 1.264 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccc(=O)[nH]c1 ZINC001149747151 861873181 /nfs/dbraw/zinc/87/31/81/861873181.db2.gz CDBUQQUJZNJTTA-UHFFFAOYSA-N 0 3 316.317 1.215 20 5 DDBDHN CCN1C[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C(C)(C)C1 ZINC001156836516 863384412 /nfs/dbraw/zinc/38/44/12/863384412.db2.gz KOPWEIPPPMRQDD-JTQLQIEISA-N 0 3 307.354 1.032 20 5 DDBDHN COC(=O)c1cnc(N2C[C@H]3[C@H](C2)CCCN3C)c([N+](=O)[O-])c1 ZINC001157266082 863694818 /nfs/dbraw/zinc/69/48/18/863694818.db2.gz NQEOHOJJWFQXQE-GWCFXTLKSA-N 0 3 320.349 1.307 20 5 DDBDHN C[C@@H](Nc1cnc2ccc([N+](=O)[O-])cc2n1)[C@@H]1CNCCO1 ZINC001159497452 865350574 /nfs/dbraw/zinc/35/05/74/865350574.db2.gz OAUOGJYFEDVDLK-RNCFNFMXSA-N 0 3 303.322 1.327 20 5 DDBDHN CC(C)Oc1nc(N[C@H](C)[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001159503183 865364643 /nfs/dbraw/zinc/36/46/43/865364643.db2.gz UOATVXOTJJDRHW-PWSUYJOCSA-N 0 3 310.354 1.566 20 5 DDBDHN CN1CCCC[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001336746989 869122198 /nfs/dbraw/zinc/12/21/98/869122198.db2.gz YVHFRIWNOPJHIM-ZDUSSCGKSA-N 0 3 321.377 1.964 20 5 DDBDHN C[C@@H]1NC[C@H](C)N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC001341027335 871474426 /nfs/dbraw/zinc/47/44/26/871474426.db2.gz HTSJEZOJTFEXRF-AVGNSLFASA-N 0 3 320.393 1.628 20 5 DDBDHN COc1cc(C[NH2+][C@@H](CO)CC2CCC2)c([N+](=O)[O-])cc1[O-] ZINC001308414097 871497123 /nfs/dbraw/zinc/49/71/23/871497123.db2.gz KECJVWPHPPVPKD-GFCCVEGCSA-N 0 3 310.350 1.950 20 5 DDBDHN Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)OCC(C)[N+](=O)[O-])C2 ZINC001344996311 873214765 /nfs/dbraw/zinc/21/47/65/873214765.db2.gz DBGXKHLACGMXDR-MEBBXXQBSA-N 0 3 307.302 1.675 20 5 DDBDHN CCN1CCC(Oc2nc(NC(C)=O)nc(C)c2[N+](=O)[O-])CC1 ZINC001234912409 888245658 /nfs/dbraw/zinc/24/56/58/888245658.db2.gz UETFBGKOYWAGPE-UHFFFAOYSA-N 0 3 323.353 1.515 20 5 DDBDHN COC(=O)CCC(=O)CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254538495 896494292 /nfs/dbraw/zinc/49/42/92/896494292.db2.gz WFJUHNBAXBCEII-LLVKDONJSA-N 0 3 308.334 1.638 20 5 DDBDHN CSCC[C@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])C(N)=O ZINC001254549480 896498660 /nfs/dbraw/zinc/49/86/60/896498660.db2.gz WYOHUVVWYQFNKZ-JQWIXIFHSA-N 0 3 311.407 1.722 20 5 DDBDHN CCOC(=O)C[C@@H]1CCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC001262013464 899895915 /nfs/dbraw/zinc/89/59/15/899895915.db2.gz CVEFZZHVHQHGSJ-LBPRGKRZSA-N 0 3 310.354 1.517 20 5 DDBDHN C[C@@H](c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C)[N+](=O)[O-] ZINC001262863423 900400123 /nfs/dbraw/zinc/40/01/23/900400123.db2.gz FANFEPPHYWVPFI-LBPRGKRZSA-N 0 3 324.429 1.711 20 5 DDBDHN Cc1cc(N2CCN(C3CCOCC3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000278277167 214062852 /nfs/dbraw/zinc/06/28/52/214062852.db2.gz BHRYIJBITJOIGZ-CYBMUJFWSA-N 0 3 320.393 1.988 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000278453614 214162379 /nfs/dbraw/zinc/16/23/79/214162379.db2.gz RDBVZNBEWGGPDU-MWLCHTKSSA-N 0 3 307.354 1.047 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000278453614 214162382 /nfs/dbraw/zinc/16/23/82/214162382.db2.gz RDBVZNBEWGGPDU-MWLCHTKSSA-N 0 3 307.354 1.047 20 5 DDBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCN1CCCO ZINC000452345771 231354532 /nfs/dbraw/zinc/35/45/32/231354532.db2.gz FTSXFBRLCFOOHM-AWEZNQCLSA-N 0 3 321.377 1.100 20 5 DDBDHN COC(=O)N1CC(N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000181464638 199300445 /nfs/dbraw/zinc/30/04/45/199300445.db2.gz ZOIGPDPBIOYHFO-AWEZNQCLSA-N 0 3 319.361 1.956 20 5 DDBDHN Cc1cc(NC(=O)c2c([N+](=O)[O-])cnn2C)ccc1CN(C)C ZINC000458285916 232327682 /nfs/dbraw/zinc/32/76/82/232327682.db2.gz ONDDFMDQCYESQA-UHFFFAOYSA-N 0 3 317.349 1.951 20 5 DDBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC1CCN(C)CC1 ZINC000286808351 219176272 /nfs/dbraw/zinc/17/62/72/219176272.db2.gz WNSGVLQIMSXMMG-UHFFFAOYSA-N 0 3 320.393 1.873 20 5 DDBDHN C[C@@H](O)C[C@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000279671845 215050589 /nfs/dbraw/zinc/05/05/89/215050589.db2.gz DLYXIGJOPYGWIV-CHWSQXEVSA-N 0 3 309.366 1.382 20 5 DDBDHN CCN1CCN(CCNc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000029587290 352241848 /nfs/dbraw/zinc/24/18/48/352241848.db2.gz DMBXPSWJCUSJCH-UHFFFAOYSA-N 0 3 320.393 1.847 20 5 DDBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000032073281 352275285 /nfs/dbraw/zinc/27/52/85/352275285.db2.gz DGUOEQAAYMIKNL-LLVKDONJSA-N 0 3 315.395 1.603 20 5 DDBDHN CN(C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cn2C)c1 ZINC000033085302 352288613 /nfs/dbraw/zinc/28/86/13/352288613.db2.gz NAHPTJFBIBBWAP-UHFFFAOYSA-N 0 3 316.361 1.925 20 5 DDBDHN CC(C)(C)N1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000063722336 352921079 /nfs/dbraw/zinc/92/10/79/352921079.db2.gz UKHFZUSCKORFRR-UHFFFAOYSA-N 0 3 309.370 1.124 20 5 DDBDHN Cc1cc(N2CCC(CN3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000080598620 353617355 /nfs/dbraw/zinc/61/73/55/353617355.db2.gz ZQIGVGRTPVESTD-UHFFFAOYSA-N 0 3 320.393 1.847 20 5 DDBDHN COC(=O)CC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090519085 353794598 /nfs/dbraw/zinc/79/45/98/353794598.db2.gz SNPCISGDSCXOOT-UHFFFAOYSA-N 0 3 323.349 1.032 20 5 DDBDHN CCN(CCO)CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617765322 363298152 /nfs/dbraw/zinc/29/81/52/363298152.db2.gz WDGNUOTXPCNLQC-GFCCVEGCSA-N 0 3 309.366 1.129 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCO)Cc1ccccc1 ZINC000309543141 354473158 /nfs/dbraw/zinc/47/31/58/354473158.db2.gz NDSLESPXSKKVEF-UHFFFAOYSA-N 0 3 304.350 1.594 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(C)C[C@@H]1CN ZINC000584768288 354762526 /nfs/dbraw/zinc/76/25/26/354762526.db2.gz MNUYVJJXBFTKBS-LBPRGKRZSA-N 0 3 321.381 1.318 20 5 DDBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000585814967 354852715 /nfs/dbraw/zinc/85/27/15/354852715.db2.gz NXZDGRCEYQNEED-STQMWFEESA-N 0 3 323.397 1.013 20 5 DDBDHN CCc1ccc(C(=O)N[C@@H](CO)CN2CCCC2)cc1[N+](=O)[O-] ZINC000588867149 354944452 /nfs/dbraw/zinc/94/44/52/354944452.db2.gz KFWSZGFSNNZQKH-CQSZACIVSA-N 0 3 321.377 1.344 20 5 DDBDHN CC(C)[C@@H](CO)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000588928613 354949309 /nfs/dbraw/zinc/94/93/09/354949309.db2.gz ZOMCXEWGYGIPQX-GFCCVEGCSA-N 0 3 310.350 1.720 20 5 DDBDHN CN(C)C[C@@H](CO)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000589102066 354959484 /nfs/dbraw/zinc/95/94/84/354959484.db2.gz YCBLIQGVLVXAQK-QMMMGPOBSA-N 0 3 319.159 1.087 20 5 DDBDHN COc1cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590442691 355096783 /nfs/dbraw/zinc/09/67/83/355096783.db2.gz ACHHCXYGGZBWPW-AAEUAGOBSA-N 0 3 305.334 1.380 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)[C@H]2C1 ZINC000590445623 355098726 /nfs/dbraw/zinc/09/87/26/355098726.db2.gz QZZRWDQHDMEHRP-SKDRFNHKSA-N 0 3 319.317 1.100 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCc2nccs2)c1 ZINC000591728753 355373236 /nfs/dbraw/zinc/37/32/36/355373236.db2.gz CHFQGSISFWPOTE-GFCCVEGCSA-N 0 3 323.374 1.623 20 5 DDBDHN COc1ccc(NC(=O)[C@@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000591686575 355362665 /nfs/dbraw/zinc/36/26/65/355362665.db2.gz ZUTGRJXDMFYQQB-VIFPVBQESA-N 0 3 315.276 1.787 20 5 DDBDHN Cc1ccccc1C1(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000592139336 355510066 /nfs/dbraw/zinc/51/00/66/355510066.db2.gz AIQKZJIHJJRXBQ-CQSZACIVSA-N 0 3 316.361 1.740 20 5 DDBDHN C[C@H]1CC2(CN1CCn1cc([N+](=O)[O-])ccc1=O)CCOCC2 ZINC000592184686 355528492 /nfs/dbraw/zinc/52/84/92/355528492.db2.gz SGBIOHBLPJDEMG-ZDUSSCGKSA-N 0 3 321.377 1.648 20 5 DDBDHN COC(=O)[C@H]1CNCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000592433437 355582795 /nfs/dbraw/zinc/58/27/95/355582795.db2.gz FPXLSGDBTDFNOZ-CYBMUJFWSA-N 0 3 311.313 1.071 20 5 DDBDHN COC(=O)[C@H]1CNCCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000592435276 355583907 /nfs/dbraw/zinc/58/39/07/355583907.db2.gz SFIHUCMJWXLWNN-IJVDHGTGSA-N 0 3 319.361 1.445 20 5 DDBDHN COC(=O)[C@H]1CNCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000592489375 355598482 /nfs/dbraw/zinc/59/84/82/355598482.db2.gz RQDKADKEEQJXAX-CYBMUJFWSA-N 0 3 311.313 1.071 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CN(CCN(C)C)C(=O)[C@H]1C ZINC000592524518 355611977 /nfs/dbraw/zinc/61/19/77/355611977.db2.gz YGUYREBACCKMKQ-CYBMUJFWSA-N 0 3 320.393 1.455 20 5 DDBDHN CCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000592829333 355705944 /nfs/dbraw/zinc/70/59/44/355705944.db2.gz NXKHYASARCWTQN-LLVKDONJSA-N 0 3 323.397 1.998 20 5 DDBDHN CCC[C@H](C)[C@H](CO)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000593050199 355780632 /nfs/dbraw/zinc/78/06/32/355780632.db2.gz CUJBHKRQUCRSGD-GWCFXTLKSA-N 0 3 309.366 1.580 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCN1CCCCC1 ZINC000593884622 356040650 /nfs/dbraw/zinc/04/06/50/356040650.db2.gz UHVHBLDWRDWBJJ-UHFFFAOYSA-N 0 3 306.366 1.856 20 5 DDBDHN COc1cc(C(=O)N[C@@H](CN)C(F)(F)F)cc([N+](=O)[O-])c1C ZINC000594451109 356221918 /nfs/dbraw/zinc/22/19/18/356221918.db2.gz JHHVFNIKGRZIOJ-JTQLQIEISA-N 0 3 321.255 1.531 20 5 DDBDHN CCC(C)(C)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000594594038 356259122 /nfs/dbraw/zinc/25/91/22/356259122.db2.gz IWYBNEFJQUTESJ-UHFFFAOYSA-N 0 3 318.381 1.948 20 5 DDBDHN COCC1(C)CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000358766146 299246796 /nfs/dbraw/zinc/24/67/96/299246796.db2.gz GZUSHONHEZBKTQ-UHFFFAOYSA-N 0 3 309.366 1.505 20 5 DDBDHN CO[C@]1(CO)CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595663088 356598077 /nfs/dbraw/zinc/59/80/77/356598077.db2.gz QXDWVMWWJTWTOY-MRXNPFEDSA-N 0 3 324.377 1.837 20 5 DDBDHN COc1ccc(OCCN2C[C@H]3COC[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000595762096 356641771 /nfs/dbraw/zinc/64/17/71/356641771.db2.gz ZXPOWZPUZRFGGD-LRDDRELGSA-N 0 3 322.361 1.951 20 5 DDBDHN COC(=O)c1cc(NC(=O)[C@@H](N)C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000237142387 202165072 /nfs/dbraw/zinc/16/50/72/202165072.db2.gz ROWCDDWHPVZTAD-LLVKDONJSA-N 0 3 309.322 1.693 20 5 DDBDHN CC(C)(C)N1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596308691 356852570 /nfs/dbraw/zinc/85/25/70/356852570.db2.gz KWWSHGQXBROTPH-LLVKDONJSA-N 0 3 306.366 1.978 20 5 DDBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000597921919 357382970 /nfs/dbraw/zinc/38/29/70/357382970.db2.gz HVDYSPYKVXYHEZ-SNVBAGLBSA-N 0 3 306.366 1.780 20 5 DDBDHN CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(CC)C1 ZINC000598041440 357439585 /nfs/dbraw/zinc/43/95/85/357439585.db2.gz LWTAZKRMNMRNSJ-CQSZACIVSA-N 0 3 321.377 1.916 20 5 DDBDHN CCCN1CC[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000598343408 357546058 /nfs/dbraw/zinc/54/60/58/357546058.db2.gz ULIMWFNLZVIXGB-ZDUSSCGKSA-N 0 3 320.393 1.632 20 5 DDBDHN CC[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000598530938 357622635 /nfs/dbraw/zinc/62/26/35/357622635.db2.gz AFRVALUZYSJMPY-GXFFZTMASA-N 0 3 309.341 1.875 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CCN[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598569233 357635216 /nfs/dbraw/zinc/63/52/16/357635216.db2.gz BZBAGIBJHCTSKN-JTQLQIEISA-N 0 3 309.370 1.511 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CCN[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598569233 357635221 /nfs/dbraw/zinc/63/52/21/357635221.db2.gz BZBAGIBJHCTSKN-JTQLQIEISA-N 0 3 309.370 1.511 20 5 DDBDHN CCc1nn(C)c(N2CCc3nccc(N)c3C2)c1[N+](=O)[O-] ZINC000598942245 357767960 /nfs/dbraw/zinc/76/79/60/357767960.db2.gz JQGQQASMFNBUHE-UHFFFAOYSA-N 0 3 302.338 1.431 20 5 DDBDHN CC(C)c1ccc(CNCCN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000599018452 357795435 /nfs/dbraw/zinc/79/54/35/357795435.db2.gz INQOIJXUVVBFKY-AWEZNQCLSA-N 0 3 307.394 1.874 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599102389 357816169 /nfs/dbraw/zinc/81/61/69/357816169.db2.gz FBQUFBQXGMKNDA-MNOVXSKESA-N 0 3 313.379 1.322 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+]C23CCC3)s1 ZINC000599106859 357817639 /nfs/dbraw/zinc/81/76/39/357817639.db2.gz JTSZMJCXCGCSMA-MRVPVSSYSA-N 0 3 317.392 1.219 20 5 DDBDHN CCOC(=O)c1ccnc(N2C[C@@H](C)N[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000599182061 357841860 /nfs/dbraw/zinc/84/18/60/357841860.db2.gz XWGMLNGZVKBYIC-MNOVXSKESA-N 0 3 322.365 1.743 20 5 DDBDHN C[C@@H](NCCNC(=O)c1ccn[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000180215084 199131294 /nfs/dbraw/zinc/13/12/94/199131294.db2.gz NSGOTGYFKYGGLE-SNVBAGLBSA-N 0 3 303.322 1.399 20 5 DDBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCN1CCCC1 ZINC000601099819 358401774 /nfs/dbraw/zinc/40/17/74/358401774.db2.gz APPIBQFAXZECHI-UHFFFAOYSA-N 0 3 307.276 1.855 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](OCC2CC2)C1 ZINC000602813828 359209075 /nfs/dbraw/zinc/20/90/75/359209075.db2.gz ZXYVGOVKTLVXIL-CQSZACIVSA-N 0 3 308.382 1.991 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)CCN(C)C1CC1 ZINC000602950603 359316678 /nfs/dbraw/zinc/31/66/78/359316678.db2.gz GTCHJTVFVKVQJN-UHFFFAOYSA-N 0 3 307.354 1.278 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@]1(CCO)CCOC1 ZINC000579375918 422759132 /nfs/dbraw/zinc/75/91/32/422759132.db2.gz BDIXKEUFSNVROA-ZBFHGGJFSA-N 0 3 306.362 1.961 20 5 DDBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000187810929 200160070 /nfs/dbraw/zinc/16/00/70/200160070.db2.gz KIHBIMCPHWAUKI-HIFRSBDPSA-N 0 3 310.350 1.445 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@@H](O)C[C@H]3CO)o2)cc1 ZINC000187664225 200141366 /nfs/dbraw/zinc/14/13/66/200141366.db2.gz STXIZYIYLVVILL-KBPBESRZSA-N 0 3 318.329 1.782 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1CCCOC1)OCCO2 ZINC000604532806 359761913 /nfs/dbraw/zinc/76/19/13/359761913.db2.gz KZJMPMDGGHNLDH-NSHDSACASA-N 0 3 308.334 1.882 20 5 DDBDHN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(CC2CC2)C1 ZINC000609382553 360303020 /nfs/dbraw/zinc/30/30/20/360303020.db2.gz BZOAUEGMORXJOI-ZDUSSCGKSA-N 0 3 319.361 1.574 20 5 DDBDHN CC(C)(NCCn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccccc1 ZINC000610844511 360551357 /nfs/dbraw/zinc/55/13/57/360551357.db2.gz UEDCHGLDQVCTMX-UHFFFAOYSA-N 0 3 317.349 1.798 20 5 DDBDHN CN1CCC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000611195855 360656733 /nfs/dbraw/zinc/65/67/33/360656733.db2.gz YXFPSHHEEFAWTN-JTQLQIEISA-N 0 3 302.334 1.900 20 5 DDBDHN Nc1cc(N2CCN(CC3CC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000611525452 360747046 /nfs/dbraw/zinc/74/70/46/360747046.db2.gz CUPMUZTVEIHABN-UHFFFAOYSA-N 0 3 306.366 1.201 20 5 DDBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCN2CCC[C@H]2C1 ZINC000195326879 201378474 /nfs/dbraw/zinc/37/84/74/201378474.db2.gz UEOCNYZSSCMWGM-ZDUSSCGKSA-N 0 3 321.402 1.994 20 5 DDBDHN C[C@@H](NCCCN1CCC[C@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000266820967 296123578 /nfs/dbraw/zinc/12/35/78/296123578.db2.gz ZDLAJTJCQAGOIE-DOMZBBRYSA-N 0 3 320.393 1.585 20 5 DDBDHN CC(C)CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000282685232 217175735 /nfs/dbraw/zinc/17/57/35/217175735.db2.gz NSTFAKWRKRZKIM-UHFFFAOYSA-N 0 3 322.365 1.367 20 5 DDBDHN COc1ccccc1CN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266406676 205323716 /nfs/dbraw/zinc/32/37/16/205323716.db2.gz FXJNJFMBGAIFIZ-CQSZACIVSA-N 0 3 320.349 1.293 20 5 DDBDHN CCc1n[nH]c(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288490007 220175094 /nfs/dbraw/zinc/17/50/94/220175094.db2.gz ROIRPQDEJWBKOD-MNOVXSKESA-N 0 3 321.381 1.579 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284408556 218015820 /nfs/dbraw/zinc/01/58/20/218015820.db2.gz NUHFCYSEFFQDDC-SDBXPKJASA-N 0 3 322.340 1.529 20 5 DDBDHN CCCN(CCN(C)C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000104530871 194014415 /nfs/dbraw/zinc/01/44/15/194014415.db2.gz RBOUUDOFKUVSJO-UHFFFAOYSA-N 0 3 309.366 1.774 20 5 DDBDHN CN(C[C@H]1CCN(C)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000104747481 194034013 /nfs/dbraw/zinc/03/40/13/194034013.db2.gz SZGLRKYDHLVHDU-NSHDSACASA-N 0 3 313.379 1.167 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000104831906 194044598 /nfs/dbraw/zinc/04/45/98/194044598.db2.gz LIDJXVVKQQSYNO-NSHDSACASA-N 0 3 306.366 1.700 20 5 DDBDHN CN(CCCNC(=O)c1[nH]ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000159170416 197333252 /nfs/dbraw/zinc/33/32/52/197333252.db2.gz VHLVJAIBXNFLII-UHFFFAOYSA-N 0 3 317.349 1.570 20 5 DDBDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000154925230 197005949 /nfs/dbraw/zinc/00/59/49/197005949.db2.gz IYGCODNEPSMXDP-NSHDSACASA-N 0 3 323.397 1.948 20 5 DDBDHN CN(C)CCN(c1nccc(C(N)=O)c1[N+](=O)[O-])C1CCCC1 ZINC000360076126 299589050 /nfs/dbraw/zinc/58/90/50/299589050.db2.gz WQAVHOCPMAMAFS-UHFFFAOYSA-N 0 3 321.381 1.399 20 5 DDBDHN Cc1ccc([C@H](C)NC[C@@H](O)Cn2ccnn2)cc1[N+](=O)[O-] ZINC000414178497 224309015 /nfs/dbraw/zinc/30/90/15/224309015.db2.gz KAWAWZJVGRTTIW-WCQYABFASA-N 0 3 305.338 1.206 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2COCc3ccccc32)c1 ZINC000570626297 304417371 /nfs/dbraw/zinc/41/73/71/304417371.db2.gz FYDMNQLWBOJDDE-HIFRSBDPSA-N 0 3 318.333 1.013 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCNCC2)cc1C ZINC000021813433 406889327 /nfs/dbraw/zinc/88/93/27/406889327.db2.gz WCGDYSJHSRLSNY-UHFFFAOYSA-N 0 3 313.379 1.196 20 5 DDBDHN CO[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000076345441 406964098 /nfs/dbraw/zinc/96/40/98/406964098.db2.gz NMZBZPAPDWCOTL-DZGCQCFKSA-N 0 3 310.350 1.445 20 5 DDBDHN COCCN(CCN(C)C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000078508370 407031401 /nfs/dbraw/zinc/03/14/01/407031401.db2.gz BVPBHQRPWSGVOZ-RMKNXTFCSA-N 0 3 321.377 1.645 20 5 DDBDHN Cn1cc(CNCCOCCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067697501 407280510 /nfs/dbraw/zinc/28/05/10/407280510.db2.gz DFSINOXUWSWAEL-UHFFFAOYSA-N 0 3 320.349 1.094 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000124500761 407359980 /nfs/dbraw/zinc/35/99/80/407359980.db2.gz YZFCDLXBUMBENU-CYBMUJFWSA-N 0 3 309.341 1.877 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H]1CCOC1 ZINC000106884149 407364749 /nfs/dbraw/zinc/36/47/49/407364749.db2.gz PJUANTUIJQVJGO-CYBMUJFWSA-N 0 3 307.350 1.953 20 5 DDBDHN O=[N+]([O-])c1cc(CN2CCN(C[C@H]3CCOC3)CC2)cs1 ZINC000178494923 407472359 /nfs/dbraw/zinc/47/23/59/407472359.db2.gz MJJIXVXEPSIWNF-GFCCVEGCSA-N 0 3 311.407 1.810 20 5 DDBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000170809393 407511837 /nfs/dbraw/zinc/51/18/37/407511837.db2.gz SQYLJKVUPSKUAM-GFCCVEGCSA-N 0 3 322.365 1.139 20 5 DDBDHN COC(=O)[C@H]1CC12CCN(CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000267098760 407745977 /nfs/dbraw/zinc/74/59/77/407745977.db2.gz SRXHGUKFWSJMRP-LLVKDONJSA-N 0 3 308.338 1.066 20 5 DDBDHN C[C@@H](O)C[C@@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000153191744 407773380 /nfs/dbraw/zinc/77/33/80/407773380.db2.gz WWPGNGLGERCYGL-MFKMUULPSA-N 0 3 307.350 1.429 20 5 DDBDHN CN1CC[C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])[C@H]2C1 ZINC000272209568 407818185 /nfs/dbraw/zinc/81/81/85/407818185.db2.gz PXRNYWMHVZGYGQ-ZJUUUORDSA-N 0 3 307.379 1.834 20 5 DDBDHN CCC[C@@](C)(N)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000262720944 407911026 /nfs/dbraw/zinc/91/10/26/407911026.db2.gz ZOXFJDXJUBNQLO-XHDPSFHLSA-N 0 3 321.381 1.520 20 5 DDBDHN CCCc1n[nH]c(C(=O)N(CCC)CCN(C)C)c1[N+](=O)[O-] ZINC000154414949 408033522 /nfs/dbraw/zinc/03/35/22/408033522.db2.gz QFHGWUZIZICPIY-UHFFFAOYSA-N 0 3 311.386 1.684 20 5 DDBDHN CCCc1[nH]nc(C(=O)N(CCC)CCN(C)C)c1[N+](=O)[O-] ZINC000154414949 408033527 /nfs/dbraw/zinc/03/35/27/408033527.db2.gz QFHGWUZIZICPIY-UHFFFAOYSA-N 0 3 311.386 1.684 20 5 DDBDHN C[C@H]1CCC[C@H](CO)N1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000136171010 408085535 /nfs/dbraw/zinc/08/55/35/408085535.db2.gz KNVDZKVPTDSYKV-CFVMTHIKSA-N 0 3 324.377 1.570 20 5 DDBDHN COCC[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000273222717 408114416 /nfs/dbraw/zinc/11/44/16/408114416.db2.gz DLOAQVXIOXOFFF-STQMWFEESA-N 0 3 324.337 1.113 20 5 DDBDHN C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000189897500 408132914 /nfs/dbraw/zinc/13/29/14/408132914.db2.gz YCGGCAVWBMVKGD-ZDUSSCGKSA-N 0 3 307.394 1.872 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000175729275 408189492 /nfs/dbraw/zinc/18/94/92/408189492.db2.gz BYCCSKXKZZMPGR-BDAKNGLRSA-N 0 3 307.354 1.235 20 5 DDBDHN CCCC[C@H](C[NH3+])[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000150321515 408191975 /nfs/dbraw/zinc/19/19/75/408191975.db2.gz ZNKPZBUPRRXVHJ-LLVKDONJSA-N 0 3 315.395 1.699 20 5 DDBDHN CCc1n[nH]c(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000263666831 408199171 /nfs/dbraw/zinc/19/91/71/408199171.db2.gz LCJKLHUCUXTDBR-MNOVXSKESA-N 0 3 323.397 1.731 20 5 DDBDHN COCCN(C)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000263801187 408265109 /nfs/dbraw/zinc/26/51/09/408265109.db2.gz STCPGTSYFABXKM-UHFFFAOYSA-N 0 3 315.757 1.556 20 5 DDBDHN COc1ccc(OCCN(C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176195745 408307406 /nfs/dbraw/zinc/30/74/06/408307406.db2.gz QVWZSQPYKNTNCQ-UHFFFAOYSA-N 0 3 320.349 1.811 20 5 DDBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264107097 408368132 /nfs/dbraw/zinc/36/81/32/408368132.db2.gz IOQNRHZNSKEPJL-LLVKDONJSA-N 0 3 315.395 1.603 20 5 DDBDHN Cc1c([C@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cnn1C ZINC000183470505 408418944 /nfs/dbraw/zinc/41/89/44/408418944.db2.gz WOEZTRXRGSRXDP-JTQLQIEISA-N 0 3 305.338 1.149 20 5 DDBDHN COCCCN(C)CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183569953 408441855 /nfs/dbraw/zinc/44/18/55/408441855.db2.gz GLEJFVNLDVQJMQ-UHFFFAOYSA-N 0 3 311.342 1.080 20 5 DDBDHN Cc1ccc(CN(C)C)cc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000177355483 408586505 /nfs/dbraw/zinc/58/65/05/408586505.db2.gz IGMQHFLEPVLTAN-UHFFFAOYSA-N 0 3 317.349 1.800 20 5 DDBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000270763342 408671605 /nfs/dbraw/zinc/67/16/05/408671605.db2.gz NHDQNSUDHZQBON-LLVKDONJSA-N 0 3 323.397 1.569 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CN1C1CC1 ZINC000184486878 408627469 /nfs/dbraw/zinc/62/74/69/408627469.db2.gz NHFFPKODVWPKTA-UWVGGRQHSA-N 0 3 304.350 1.532 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCC[C@H]2CCO)c1 ZINC000250046720 408774052 /nfs/dbraw/zinc/77/40/52/408774052.db2.gz CXIGFPVFGCSJGP-DZGCQCFKSA-N 0 3 324.377 1.571 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000250945557 408779691 /nfs/dbraw/zinc/77/96/91/408779691.db2.gz BPBNUZPXEYORQG-KBPBESRZSA-N 0 3 319.361 1.496 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCOC[C@@H]1C ZINC000277410505 408935618 /nfs/dbraw/zinc/93/56/18/408935618.db2.gz JOPXCAYRUKQIMQ-AAEUAGOBSA-N 0 3 307.350 1.856 20 5 DDBDHN CCCC[C@@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000236720354 163359875 /nfs/dbraw/zinc/35/98/75/163359875.db2.gz RABHPYKTJISMTQ-OAHLLOKOSA-N 0 3 320.393 1.761 20 5 DDBDHN O=C(NCCCNCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000238048551 163396548 /nfs/dbraw/zinc/39/65/48/163396548.db2.gz ZSFPRIVMVACJKD-UHFFFAOYSA-N 0 3 314.345 1.900 20 5 DDBDHN O=C(NC1CC1)c1ccc(NCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000292197358 408998845 /nfs/dbraw/zinc/99/88/45/408998845.db2.gz HIKMGIVTTXDLNG-UHFFFAOYSA-N 0 3 318.377 1.995 20 5 DDBDHN O=C(CCN1CCCC[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000282193603 409008414 /nfs/dbraw/zinc/00/84/14/409008414.db2.gz BQTMJDQOCNJXHS-LBPRGKRZSA-N 0 3 307.350 1.770 20 5 DDBDHN CCOC1CC(O)(CNCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000277807455 409015335 /nfs/dbraw/zinc/01/53/35/409015335.db2.gz YLVFNGSDWIXNSS-UHFFFAOYSA-N 0 3 310.350 1.623 20 5 DDBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ncccc1[N+](=O)[O-] ZINC000278811811 409093013 /nfs/dbraw/zinc/09/30/13/409093013.db2.gz OPSCMGPOXAVDLG-GFCCVEGCSA-N 0 3 306.366 1.679 20 5 DDBDHN CN(CCN(C)C1CC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283219419 409113866 /nfs/dbraw/zinc/11/38/66/409113866.db2.gz SESKLKPGKOQQLF-UHFFFAOYSA-N 0 3 310.329 1.482 20 5 DDBDHN CN(C(=O)CN[C@H]1CCC[C@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000279289306 409186500 /nfs/dbraw/zinc/18/65/00/409186500.db2.gz PGDBHBQBAJDXNR-WFASDCNBSA-N 0 3 321.377 1.698 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CCN2CCO[C@H]1C2 ZINC000295099030 409319713 /nfs/dbraw/zinc/31/97/13/409319713.db2.gz KDAAVTVPAJMUMW-HOTGVXAUSA-N 0 3 305.378 1.808 20 5 DDBDHN C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCN(C2CC2)C1 ZINC000295268648 409406984 /nfs/dbraw/zinc/40/69/84/409406984.db2.gz GQWAHMGUYWWICI-GFCCVEGCSA-N 0 3 321.381 1.124 20 5 DDBDHN Cc1ccc(CNC[C@](C)(O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000304355607 409614631 /nfs/dbraw/zinc/61/46/31/409614631.db2.gz SFDYOVZNCGHBCK-INIZCTEOSA-N 0 3 323.393 1.076 20 5 DDBDHN Cc1sc(S(=O)(=O)[N-][C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000342522624 409692887 /nfs/dbraw/zinc/69/28/87/409692887.db2.gz GXRVCWOXDVZJKS-MRVPVSSYSA-N 0 3 321.424 1.583 20 5 DDBDHN CNc1ccc(C(=O)N(C)C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000317348115 409867294 /nfs/dbraw/zinc/86/72/94/409867294.db2.gz DUGCRXKJKYENGM-GFCCVEGCSA-N 0 3 306.366 1.803 20 5 DDBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C)C1 ZINC000346229194 409871176 /nfs/dbraw/zinc/87/11/76/409871176.db2.gz ROXQSCVDGWXFEA-SDDRHHMPSA-N 0 3 307.350 1.990 20 5 DDBDHN COc1c(C(=O)NC[C@H](C)N(C)C2CC2)cccc1[N+](=O)[O-] ZINC000355639642 410622564 /nfs/dbraw/zinc/62/25/64/410622564.db2.gz ZGEHRGSFXXCANR-JTQLQIEISA-N 0 3 307.350 1.816 20 5 DDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000356300535 410952464 /nfs/dbraw/zinc/95/24/64/410952464.db2.gz OUKZSHYDNPETKN-NWDGAFQWSA-N 0 3 306.366 1.632 20 5 DDBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3c([N+](=O)[O-])ncn3C)[C@@H]2C1 ZINC000344121222 410970133 /nfs/dbraw/zinc/97/01/33/410970133.db2.gz SROWEOZZHYDDFD-YNEHKIRRSA-N 0 3 321.381 1.065 20 5 DDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H](CO)C1 ZINC000348568596 411021374 /nfs/dbraw/zinc/02/13/74/411021374.db2.gz CDHHQECVRZDVKG-LLVKDONJSA-N 0 3 321.333 1.207 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000331216887 411022195 /nfs/dbraw/zinc/02/21/95/411022195.db2.gz PVNYOXLRRUJJDD-VHSXEESVSA-N 0 3 309.370 1.654 20 5 DDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000356459640 411040241 /nfs/dbraw/zinc/04/02/41/411040241.db2.gz CCYSYHFZNZNSKL-NSHDSACASA-N 0 3 307.354 1.029 20 5 DDBDHN N=C(NO)[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000374170291 418499625 /nfs/dbraw/zinc/49/96/25/418499625.db2.gz AQIDMVMXGBGQON-LBPRGKRZSA-N 0 3 308.338 1.784 20 5 DDBDHN CC1(C)CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CCN1 ZINC000212629407 418559059 /nfs/dbraw/zinc/55/90/59/418559059.db2.gz KOXXMUAOQCXPMU-UHFFFAOYSA-N 0 3 313.379 1.187 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000361075670 418578090 /nfs/dbraw/zinc/57/80/90/418578090.db2.gz CQBZEACTWVTGIC-WDEREUQCSA-N 0 3 306.366 1.849 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000375011467 418587620 /nfs/dbraw/zinc/58/76/20/418587620.db2.gz FZGIKRQOISLMBE-UONOGXRCSA-N 0 3 308.382 1.930 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000368217988 418706123 /nfs/dbraw/zinc/70/61/23/418706123.db2.gz CERWSIJGVAFDTG-SJORKVTESA-N 0 3 319.405 1.934 20 5 DDBDHN C[C@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000381458344 418728585 /nfs/dbraw/zinc/72/85/85/418728585.db2.gz IKAHYZYJRATJIA-BQBZGAKWSA-N 0 3 307.759 1.262 20 5 DDBDHN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000364924584 418822942 /nfs/dbraw/zinc/82/29/42/418822942.db2.gz AXJYWWQSPNTYKW-CFVMTHIKSA-N 0 3 303.362 1.723 20 5 DDBDHN Cc1nn(C)c(C(=O)NC2CC(N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000365417514 418858756 /nfs/dbraw/zinc/85/87/56/418858756.db2.gz CBOISTDAQQNOQI-UHFFFAOYSA-N 0 3 321.381 1.383 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCO[C@H]2CCC[C@@H]21 ZINC000372352673 418860479 /nfs/dbraw/zinc/86/04/79/418860479.db2.gz ZYEKAFWAMKQYQB-KBPBESRZSA-N 0 3 307.350 1.400 20 5 DDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@H]1CCCN1C ZINC000421009411 419445777 /nfs/dbraw/zinc/44/57/77/419445777.db2.gz QAXQJPDJGVWYRK-IUODEOHRSA-N 0 3 320.393 1.948 20 5 DDBDHN O=C(CNc1ncccc1[N+](=O)[O-])NCCN1CCCCCC1 ZINC000431470093 229033431 /nfs/dbraw/zinc/03/34/31/229033431.db2.gz GINVJFNAIAJGMI-UHFFFAOYSA-N 0 3 321.381 1.394 20 5 DDBDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1OC ZINC000429783452 420047161 /nfs/dbraw/zinc/04/71/61/420047161.db2.gz HRPNUGUWALCABE-STQMWFEESA-N 0 3 307.350 1.608 20 5 DDBDHN CCCC[C@@H](CN)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415493759 420089000 /nfs/dbraw/zinc/08/90/00/420089000.db2.gz HGJPFYQYWHPDMU-NSHDSACASA-N 0 3 308.338 1.167 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCC[C@H]1C(N)=O ZINC000430216876 420091680 /nfs/dbraw/zinc/09/16/80/420091680.db2.gz JKIWCDLJTOVJQE-OLZOCXBDSA-N 0 3 307.350 1.737 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCC[C@@]1(C)CO ZINC000492894862 420702166 /nfs/dbraw/zinc/70/21/66/420702166.db2.gz SKBKKRBTIIOARZ-HOCLYGCPSA-N 0 3 321.377 1.982 20 5 DDBDHN Cn1cnc(CCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000447584094 420784307 /nfs/dbraw/zinc/78/43/07/420784307.db2.gz DQVRFEHWRJEUQE-CQSZACIVSA-N 0 3 301.350 1.933 20 5 DDBDHN CNc1nc(C(=O)NCCN2CCCCCC2)ccc1[N+](=O)[O-] ZINC000454648773 420901450 /nfs/dbraw/zinc/90/14/50/420901450.db2.gz CTMCSBYNILMHMP-UHFFFAOYSA-N 0 3 321.381 1.637 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)NCC(F)(F)F ZINC000449107261 420950573 /nfs/dbraw/zinc/95/05/73/420950573.db2.gz LZBWUPLFLNQIKC-VIFPVBQESA-N 0 3 319.283 1.794 20 5 DDBDHN CNc1nc(C(=O)N2CCCN(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000455387245 421005365 /nfs/dbraw/zinc/00/53/65/421005365.db2.gz IHUIRKKCGMKGJH-UHFFFAOYSA-N 0 3 321.381 1.588 20 5 DDBDHN Cc1sc(S(=O)(=O)[N-]C[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000490027925 421185471 /nfs/dbraw/zinc/18/54/71/421185471.db2.gz BRSWMGHLEYJZAU-QMMMGPOBSA-N 0 3 321.424 1.441 20 5 DDBDHN C[C@H]1CCN(CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000525805300 421302574 /nfs/dbraw/zinc/30/25/74/421302574.db2.gz KFCSYMZHRNAVHR-JTQLQIEISA-N 0 3 321.333 1.395 20 5 DDBDHN CC(COC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1)[N+](=O)[O-] ZINC000496920744 421338112 /nfs/dbraw/zinc/33/81/12/421338112.db2.gz CIZNAPBVWDJZSB-ONGXEEELSA-N 0 3 316.354 1.888 20 5 DDBDHN C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000548058508 421394949 /nfs/dbraw/zinc/39/49/49/421394949.db2.gz RIADYHQBPWQEQU-QWRGUYRKSA-N 0 3 321.381 1.422 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2cccnc2)c1 ZINC000556601364 421717826 /nfs/dbraw/zinc/71/78/26/421717826.db2.gz KOTQIFNZBKAFDL-CQSZACIVSA-N 0 3 303.318 1.519 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(CCO)CC1 ZINC000542281481 421819951 /nfs/dbraw/zinc/81/99/51/421819951.db2.gz FBELECSINRXPQT-AWEZNQCLSA-N 0 3 324.377 1.429 20 5 DDBDHN COc1ccc(CC(=O)NCC2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000540542772 421766094 /nfs/dbraw/zinc/76/60/94/421766094.db2.gz KLSRBHYODQDTHZ-UHFFFAOYSA-N 0 3 319.361 1.524 20 5 DDBDHN CN(C)CCCN(C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000573773486 422010537 /nfs/dbraw/zinc/01/05/37/422010537.db2.gz SKSCOAJTPFOJIV-UHFFFAOYSA-N 0 3 321.377 1.968 20 5 DDBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000574051880 422055691 /nfs/dbraw/zinc/05/56/91/422055691.db2.gz NSCRPIYAVYLYDA-SNVBAGLBSA-N 0 3 321.381 1.374 20 5 DDBDHN CCN1CCCC[C@H]1CNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000576595433 422376342 /nfs/dbraw/zinc/37/63/42/422376342.db2.gz LBZFSGVJVDGOMG-NSHDSACASA-N 0 3 321.381 1.636 20 5 DDBDHN C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000577294250 422383945 /nfs/dbraw/zinc/38/39/45/422383945.db2.gz MGMOGRLPXSVXFO-WDEREUQCSA-N 0 3 321.381 1.565 20 5 DDBDHN COc1cc(C[NH2+]CC2(CO)CCCC2)c([N+](=O)[O-])cc1[O-] ZINC000185808343 263394120 /nfs/dbraw/zinc/39/41/20/263394120.db2.gz AFYMNCDTFJPISF-UHFFFAOYSA-N 0 3 310.350 1.951 20 5 DDBDHN CCN(CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000341799774 271215751 /nfs/dbraw/zinc/21/57/51/271215751.db2.gz CMSTVRJLDZLITJ-LLVKDONJSA-N 0 3 322.365 1.380 20 5 DDBDHN CCN1CCC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000342221776 271345039 /nfs/dbraw/zinc/34/50/39/271345039.db2.gz DBMDCQFEXLCDPX-ZDUSSCGKSA-N 0 3 320.393 1.997 20 5 DDBDHN [NH3+]C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000230054015 274942618 /nfs/dbraw/zinc/94/26/18/274942618.db2.gz YUJHYAJYCGKZIT-UHFFFAOYSA-N 0 3 319.770 1.408 20 5 DDBDHN CC[C@H](C)[C@@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237052434 276560331 /nfs/dbraw/zinc/56/03/31/276560331.db2.gz YUDKLWYGBPVINC-SWLSCSKDSA-N 0 3 320.393 1.617 20 5 DDBDHN CN(C)C/C=C\C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000491641595 276764108 /nfs/dbraw/zinc/76/41/08/276764108.db2.gz LACTWLBHOFPJQT-YVMONPNESA-N 0 3 318.377 1.361 20 5 DDBDHN CN1CCNC[C@@H]1CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423522046 277116159 /nfs/dbraw/zinc/11/61/59/277116159.db2.gz RENADVVNARJTTA-CJNGLKHVSA-N 0 3 318.421 1.810 20 5 DDBDHN C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050163262 278360914 /nfs/dbraw/zinc/36/09/14/278360914.db2.gz MYQVJFSRCOCQFD-GHMZBOCLSA-N 0 3 313.379 1.261 20 5 DDBDHN C[C@@H]1CCN(C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000354004236 298335905 /nfs/dbraw/zinc/33/59/05/298335905.db2.gz AVVLAZXEDVEDSC-GFCCVEGCSA-N 0 3 307.350 1.526 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CCN(C)[C@H]3C2)c1 ZINC000368590606 301060206 /nfs/dbraw/zinc/06/02/06/301060206.db2.gz KZNRBRWFFIZYPJ-ABAIWWIYSA-N 0 3 319.361 1.770 20 5 DDBDHN CN1CCC[C@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000369353099 301170223 /nfs/dbraw/zinc/17/02/23/301170223.db2.gz BLYCICCETVHSGG-KRWDZBQOSA-N 0 3 318.421 1.807 20 5 DDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000377468633 302182144 /nfs/dbraw/zinc/18/21/44/302182144.db2.gz CIDNPQDIYJATOW-KGLIPLIRSA-N 0 3 305.334 1.188 20 5 DDBDHN COc1ccc(S(=O)(=O)[N-]C(C)(C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000397159075 302352340 /nfs/dbraw/zinc/35/23/40/302352340.db2.gz AMRHVSWFGIDMJL-UHFFFAOYSA-N 0 3 317.367 1.009 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)CC[NH3+])cc1C ZINC000397183118 302352347 /nfs/dbraw/zinc/35/23/47/302352347.db2.gz KDJHUKPVPQGUFB-UHFFFAOYSA-N 0 3 315.395 1.617 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1N(C)C ZINC000535729419 303350045 /nfs/dbraw/zinc/35/00/45/303350045.db2.gz WIXVJABSVVLKLZ-VXGBXAGGSA-N 0 3 310.379 1.107 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(N(C)C2CCN(CCO)CC2)n1 ZINC000359104829 306950964 /nfs/dbraw/zinc/95/09/64/306950964.db2.gz VPBVJXPAJPEPRH-UHFFFAOYSA-N 0 3 308.382 1.500 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000362254135 307015703 /nfs/dbraw/zinc/01/57/03/307015703.db2.gz BOCBYPWNTBCYJH-CMPLNLGQSA-N 0 3 321.381 1.437 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000362254135 307015704 /nfs/dbraw/zinc/01/57/04/307015704.db2.gz BOCBYPWNTBCYJH-CMPLNLGQSA-N 0 3 321.381 1.437 20 5 DDBDHN CN1CCC2(CCCN2C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000363998661 307039446 /nfs/dbraw/zinc/03/94/46/307039446.db2.gz LHAIYMIKLXUGBM-UHFFFAOYSA-N 0 3 319.365 1.272 20 5 DDBDHN CC(C)[C@@H](C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N(C)C ZINC000372235467 307165726 /nfs/dbraw/zinc/16/57/26/307165726.db2.gz IGZWMMIQTMFBMZ-JSGCOSHPSA-N 0 3 323.397 1.541 20 5 DDBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496247613 307331485 /nfs/dbraw/zinc/33/14/85/307331485.db2.gz UDWDJXRMGVDNHR-UWVGGRQHSA-N 0 3 302.327 1.594 20 5 DDBDHN COCCN(C)C[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000565169270 308022813 /nfs/dbraw/zinc/02/28/13/308022813.db2.gz GBXMZLOQTJFXNC-WFASDCNBSA-N 0 3 311.382 1.185 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ncccc3[O-])C2)nc1 ZINC000565976312 308039894 /nfs/dbraw/zinc/03/98/94/308039894.db2.gz AWDCFFKUPHWXLH-LLVKDONJSA-N 0 3 315.333 1.777 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ncccc3[O-])C2)nc1 ZINC000565976312 308039895 /nfs/dbraw/zinc/03/98/95/308039895.db2.gz AWDCFFKUPHWXLH-LLVKDONJSA-N 0 3 315.333 1.777 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000566124237 308044726 /nfs/dbraw/zinc/04/47/26/308044726.db2.gz VFMWWVUEFRKARX-BTTYYORXSA-N 0 3 310.375 1.757 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2CNC)n1 ZINC000582720074 337124823 /nfs/dbraw/zinc/12/48/23/337124823.db2.gz BVFJMSOMEBXJQA-UHFFFAOYSA-N 0 3 303.322 1.783 20 5 DDBDHN COC(=O)c1cc(NC(=O)[C@H]2C[C@@H](C)CCN2)cc([N+](=O)[O-])c1 ZINC000422998208 533885650 /nfs/dbraw/zinc/88/56/50/533885650.db2.gz CPCBBABHLKBHEW-TVQRCGJNSA-N 0 3 321.333 1.708 20 5 DDBDHN NC(=O)c1ccc(CN2CC[C@@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452132178 534480472 /nfs/dbraw/zinc/48/04/72/534480472.db2.gz QKFOHUREBNHZBC-LLVKDONJSA-N 0 3 307.350 1.288 20 5 DDBDHN CC1=CCN(CCNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000302139469 528119681 /nfs/dbraw/zinc/11/96/81/528119681.db2.gz GBQBAHRTQKBANK-UHFFFAOYSA-N 0 3 302.338 1.701 20 5 DDBDHN CCC[N@H+](CC)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821095056 606138601 /nfs/dbraw/zinc/13/86/01/606138601.db2.gz WFXSJCRFVVRBTB-UHFFFAOYSA-N 0 3 319.369 1.919 20 5 DDBDHN CCC[N@@H+](CC)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821095056 606138603 /nfs/dbraw/zinc/13/86/03/606138603.db2.gz WFXSJCRFVVRBTB-UHFFFAOYSA-N 0 3 319.369 1.919 20 5 DDBDHN CCC[N@H+](CC)CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821095056 606138605 /nfs/dbraw/zinc/13/86/05/606138605.db2.gz WFXSJCRFVVRBTB-UHFFFAOYSA-N 0 3 319.369 1.919 20 5 DDBDHN CCC[N@@H+](CC)CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821095056 606138607 /nfs/dbraw/zinc/13/86/07/606138607.db2.gz WFXSJCRFVVRBTB-UHFFFAOYSA-N 0 3 319.369 1.919 20 5 DDBDHN CCC[N@H+](CC)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821094309 606138716 /nfs/dbraw/zinc/13/87/16/606138716.db2.gz GGBVMFKBZALNFN-UHFFFAOYSA-N 0 3 320.357 1.314 20 5 DDBDHN CCC[N@@H+](CC)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821094309 606138717 /nfs/dbraw/zinc/13/87/17/606138717.db2.gz GGBVMFKBZALNFN-UHFFFAOYSA-N 0 3 320.357 1.314 20 5 DDBDHN CCC[N@H+](CC)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821094309 606138718 /nfs/dbraw/zinc/13/87/18/606138718.db2.gz GGBVMFKBZALNFN-UHFFFAOYSA-N 0 3 320.357 1.314 20 5 DDBDHN CCC[N@@H+](CC)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821094309 606138719 /nfs/dbraw/zinc/13/87/19/606138719.db2.gz GGBVMFKBZALNFN-UHFFFAOYSA-N 0 3 320.357 1.314 20 5 DDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1[NH+](C)C ZINC000820774422 606803824 /nfs/dbraw/zinc/80/38/24/606803824.db2.gz CMGXGCBXXNLHJA-NOZJJQNGSA-N 0 3 317.353 1.161 20 5 DDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1[NH+](C)C ZINC000820774422 606803826 /nfs/dbraw/zinc/80/38/26/606803826.db2.gz CMGXGCBXXNLHJA-NOZJJQNGSA-N 0 3 317.353 1.161 20 5 DDBDHN COc1ccc(OCCNC2(C(N)=O)CCCC2)c([N+](=O)[O-])c1 ZINC000750051362 700200898 /nfs/dbraw/zinc/20/08/98/700200898.db2.gz XEPWBINTKDBFQR-UHFFFAOYSA-N 0 3 323.349 1.370 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)NCCN2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000783918168 698892660 /nfs/dbraw/zinc/89/26/60/698892660.db2.gz DVGNYPLWAOJAQA-SNVBAGLBSA-N 0 3 309.370 1.655 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)NCCN2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000783918166 698892739 /nfs/dbraw/zinc/89/27/39/698892739.db2.gz DVGNYPLWAOJAQA-JTQLQIEISA-N 0 3 309.370 1.655 20 5 DDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731455912 699529167 /nfs/dbraw/zinc/52/91/67/699529167.db2.gz XGRXQMVBAAUZTA-TZMCWYRMSA-N 0 3 323.324 1.327 20 5 DDBDHN CC(COC(=O)CSc1nnnn1C1CCCC1)[N+](=O)[O-] ZINC000813109399 702294846 /nfs/dbraw/zinc/29/48/46/702294846.db2.gz JSYQMZNRWGKGLH-MRVPVSSYSA-N 0 3 315.355 1.089 20 5 DDBDHN CC(COC(=O)c1cn(-c2cccc(Cl)c2)nn1)[N+](=O)[O-] ZINC000813109985 702295854 /nfs/dbraw/zinc/29/58/54/702295854.db2.gz QXDJJRNOOOQUPA-QMMMGPOBSA-N 0 3 310.697 1.743 20 5 DDBDHN CN(CCN1CC2(C1)CCOCC2)c1ccc([N+](=O)[O-])nc1 ZINC000866256166 706658966 /nfs/dbraw/zinc/65/89/66/706658966.db2.gz KONZLRVQBLVJOR-UHFFFAOYSA-N 0 3 306.366 1.538 20 5 DDBDHN CN(CCN1CC2(C1)CCOCC2)c1ccc(N)cc1[N+](=O)[O-] ZINC000866257540 706659143 /nfs/dbraw/zinc/65/91/43/706659143.db2.gz JKVVZENFUOHTAI-UHFFFAOYSA-N 0 3 320.393 1.726 20 5 DDBDHN C[C@@H]1NCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000843472993 702888831 /nfs/dbraw/zinc/88/88/31/702888831.db2.gz UWVCXJPQQFRJDN-QWRGUYRKSA-N 0 3 317.349 1.153 20 5 DDBDHN CCCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000843987273 702949388 /nfs/dbraw/zinc/94/93/88/702949388.db2.gz DLDPBLSKNZATNL-HUUCEWRRSA-N 0 3 321.377 1.571 20 5 DDBDHN Cc1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c(=O)n1C ZINC000819270410 704097872 /nfs/dbraw/zinc/09/78/72/704097872.db2.gz YOJZMXASWJFWAU-HNNXBMFYSA-N 0 3 317.345 1.425 20 5 DDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000874822359 705181384 /nfs/dbraw/zinc/18/13/84/705181384.db2.gz ARBBDDZLZGIVMT-KBPBESRZSA-N 0 3 321.352 1.972 20 5 DDBDHN COc1cc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)ccc1[N+](=O)[O-] ZINC000874840448 705195499 /nfs/dbraw/zinc/19/54/99/705195499.db2.gz OBJVCMICRZAPKI-OLZOCXBDSA-N 0 3 319.361 1.912 20 5 DDBDHN CCN1CCCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823997710 705351602 /nfs/dbraw/zinc/35/16/02/705351602.db2.gz GRPSLLPCRJZRMQ-UHFFFAOYSA-N 0 3 307.354 1.737 20 5 DDBDHN Cc1cc(NCCN(C)CCOCCO)c([N+](=O)[O-])s1 ZINC000882950853 707866997 /nfs/dbraw/zinc/86/69/97/707866997.db2.gz CWLHQBOCHGASNW-UHFFFAOYSA-N 0 3 303.384 1.317 20 5 DDBDHN CC(COC(=O)C1([C@H]2CCCCO2)CCOCC1)[N+](=O)[O-] ZINC000873532371 707887893 /nfs/dbraw/zinc/88/78/93/707887893.db2.gz GUTSXNYYBXWZKY-NWDGAFQWSA-N 0 3 301.339 1.561 20 5 DDBDHN COCC[C@H](N)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000884062186 708122492 /nfs/dbraw/zinc/12/24/92/708122492.db2.gz JBBQUMGCCQIXIU-LBPRGKRZSA-N 0 3 315.757 1.570 20 5 DDBDHN CN1CCN(C)CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000897093676 708227741 /nfs/dbraw/zinc/22/77/41/708227741.db2.gz CFTFHCYQSBBZIV-UHFFFAOYSA-N 0 3 312.801 1.932 20 5 DDBDHN Cc1cccc(N2CC[C@H]3[C@@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC000897220928 708258721 /nfs/dbraw/zinc/25/87/21/708258721.db2.gz ZSKMHWBJKIKQDQ-KBPBESRZSA-N 0 3 305.378 1.939 20 5 DDBDHN Nc1c(F)c(N2CC[C@@H]3[C@@H]2CCCN3CCO)ccc1[N+](=O)[O-] ZINC000897221448 708259186 /nfs/dbraw/zinc/25/91/86/708259186.db2.gz NBLFYSJHYRECOP-MNOVXSKESA-N 0 3 324.356 1.352 20 5 DDBDHN Cc1cc(Cl)c(C(=O)NCCN(C)CCO)cc1[N+](=O)[O-] ZINC000899738498 709184461 /nfs/dbraw/zinc/18/44/61/709184461.db2.gz DRULNSZFQPCTPM-UHFFFAOYSA-N 0 3 315.757 1.211 20 5 DDBDHN COc1cc(OCC(=O)N[C@H]2CCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000928442802 713197963 /nfs/dbraw/zinc/19/79/63/713197963.db2.gz CFFOFIPZLTVHGL-PWSUYJOCSA-N 0 3 323.349 1.191 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCN1C ZINC000928448999 713201610 /nfs/dbraw/zinc/20/16/10/713201610.db2.gz DGOWJJVFLKARCK-WPRPVWTQSA-N 0 3 307.306 1.146 20 5 DDBDHN CN1C[C@H]2CCN(c3c([N+](=O)[O-])c(C(F)(F)F)nn3C)[C@@H]2C1 ZINC000893936005 710892516 /nfs/dbraw/zinc/89/25/16/710892516.db2.gz TYNZPZWGTDGQJQ-HTQZYQBOSA-N 0 3 319.287 1.487 20 5 DDBDHN COC(=O)c1cc(C)nc(N2CC[C@@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000893942028 710894794 /nfs/dbraw/zinc/89/47/94/710894794.db2.gz YQFCSHAPEIVHQU-PWSUYJOCSA-N 0 3 320.349 1.225 20 5 DDBDHN CN(CCO)CCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC000895241370 711462240 /nfs/dbraw/zinc/46/22/40/711462240.db2.gz RISFQZSIDDATSP-UHFFFAOYSA-N 0 3 324.768 1.554 20 5 DDBDHN CC[C@@H](CO)N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000915875806 713434335 /nfs/dbraw/zinc/43/43/35/713434335.db2.gz XGYMGTCXHHFSFZ-ZJUUUORDSA-N 0 3 311.338 1.291 20 5 DDBDHN C[C@H]1COC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000932494757 714346437 /nfs/dbraw/zinc/34/64/37/714346437.db2.gz QUUGWLWEMKGCHE-GXFFZTMASA-N 0 3 305.334 1.108 20 5 DDBDHN CCOC(=O)[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000932646328 714373923 /nfs/dbraw/zinc/37/39/23/714373923.db2.gz HWUZABZSHROYFM-LBPRGKRZSA-N 0 3 308.334 1.859 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000925309435 714803163 /nfs/dbraw/zinc/80/31/63/714803163.db2.gz ZYLBKTMLDMCLLC-KOLCDFICSA-N 0 3 308.338 1.818 20 5 DDBDHN CCOC(=O)COc1ncc(N[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC001167278825 732888861 /nfs/dbraw/zinc/88/88/61/732888861.db2.gz UILMBBAVVRSDNG-JTQLQIEISA-N 0 3 324.337 1.048 20 5 DDBDHN CN(CCN(C)c1ccccc1[N+](=O)[O-])C(=O)CN1CCCC1 ZINC001105405029 740938901 /nfs/dbraw/zinc/93/89/01/740938901.db2.gz GYKOOEYUINVTIV-UHFFFAOYSA-N 0 3 320.393 1.585 20 5 DDBDHN O=C(NCC1=CCN(Cc2cncs2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000674147 762078813 /nfs/dbraw/zinc/07/88/13/762078813.db2.gz LZSCAIQFSGKVPT-CHWSQXEVSA-N 0 3 322.390 1.057 20 5 DDBDHN Cc1cnc(CN)n1-c1ccc([N+](=O)[O-])c2c1CCN(C)C2 ZINC001169031019 762187693 /nfs/dbraw/zinc/18/76/93/762187693.db2.gz UWHYTTKDEXNYAN-UHFFFAOYSA-N 0 3 301.350 1.536 20 5 DDBDHN Cc1ccnc(N2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169034932 762189799 /nfs/dbraw/zinc/18/97/99/762189799.db2.gz IRVAEVPYFNLYSR-LSDHHAIUSA-N 0 3 304.394 1.957 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(N2CCCc3ccc(CN)nc32)n1 ZINC001169584800 762545010 /nfs/dbraw/zinc/54/50/10/762545010.db2.gz RYWHEJUFAUKGJU-UHFFFAOYSA-N 0 3 315.333 1.936 20 5 DDBDHN Cc1noc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1C ZINC001130066149 767213667 /nfs/dbraw/zinc/21/36/67/767213667.db2.gz KCCSTRDCDMVBTB-UHFFFAOYSA-N 0 3 318.333 1.719 20 5 DDBDHN Cc1[nH]cnc1CC(=O)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001093777084 775101794 /nfs/dbraw/zinc/10/17/94/775101794.db2.gz VCXPLTVPUVEFKX-UHFFFAOYSA-N 0 3 321.312 1.536 20 5 DDBDHN C[C@H](NC[C@@H](O)C[C@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC001176036343 778008819 /nfs/dbraw/zinc/00/88/19/778008819.db2.gz JZVXUODQWUAAJZ-TUKIKUTGSA-N 0 3 310.350 1.148 20 5 DDBDHN CCN1C[C@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001178860299 779214800 /nfs/dbraw/zinc/21/48/00/779214800.db2.gz AAKIRMXOVBTIJT-NSHDSACASA-N 0 3 307.354 1.032 20 5 DDBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)n1 ZINC001150120266 862099134 /nfs/dbraw/zinc/09/91/34/862099134.db2.gz UWVZJAYITBMNDV-YMTOWFKASA-N 0 3 304.350 1.511 20 5 DDBDHN CCOCCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001155643217 862331928 /nfs/dbraw/zinc/33/19/28/862331928.db2.gz ANNOUKOPNZILHZ-UHFFFAOYSA-N 0 3 315.395 1.679 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001122492360 858850424 /nfs/dbraw/zinc/85/04/24/858850424.db2.gz MDPGTEOSGAWQOI-UHFFFAOYSA-N 0 3 307.350 1.227 20 5 DDBDHN Cc1ncsc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001124042529 859546178 /nfs/dbraw/zinc/54/61/78/859546178.db2.gz XCQIVCSAIBVYHP-UHFFFAOYSA-N 0 3 320.374 1.879 20 5 DDBDHN CC/C(C)=C/C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001157551035 863914857 /nfs/dbraw/zinc/91/48/57/863914857.db2.gz RGUMNSIWALUADS-DHZHZOJOSA-N 0 3 309.370 1.281 20 5 DDBDHN Cc1cnc(CN)n1-c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001158166525 864466108 /nfs/dbraw/zinc/46/61/08/864466108.db2.gz LYILZVCCYDHBQG-SNAWJCMRSA-N 0 3 302.338 1.475 20 5 DDBDHN C[C@@H](Nc1ccc2c(cccc2[N+](=O)[O-])n1)[C@H]1CNCCO1 ZINC001159500681 865357108 /nfs/dbraw/zinc/35/71/08/865357108.db2.gz XBXPAYNVFKJOAW-QMTHXVAHSA-N 0 3 302.334 1.932 20 5 DDBDHN CC(=O)N1CCc2cc(-n3nccc3CN)cc([N+](=O)[O-])c21 ZINC001162597172 867668978 /nfs/dbraw/zinc/66/89/78/867668978.db2.gz FCKZLUUITTZSTG-UHFFFAOYSA-N 0 3 301.306 1.148 20 5 DDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CN2CCC1CC2 ZINC001337410121 869475967 /nfs/dbraw/zinc/47/59/67/869475967.db2.gz OLVXGUPMUOFCBY-ZDUSSCGKSA-N 0 3 307.325 1.487 20 5 DDBDHN O=C(N[C@H]1CN2CCC1CC2)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001339140256 870364133 /nfs/dbraw/zinc/36/41/33/870364133.db2.gz HWASDFUWAQFSJD-HNNXBMFYSA-N 0 3 314.345 1.900 20 5 DDBDHN C[C@H](CNC(=O)CNC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC001342831676 872404992 /nfs/dbraw/zinc/40/49/92/872404992.db2.gz HQZXVIXHYLNQKL-CHWSQXEVSA-N 0 3 321.377 1.583 20 5 DDBDHN CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCN(C(C)(C)CC)CC1 ZINC001356353198 879010265 /nfs/dbraw/zinc/01/02/65/879010265.db2.gz YLMMCRZHHMKNTM-LBPRGKRZSA-N 0 3 324.429 1.946 20 5 DDBDHN CN(C)Cc1ccccc1O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC001229701680 884118131 /nfs/dbraw/zinc/11/81/31/884118131.db2.gz MAIOPZYFKHNFIF-LBPRGKRZSA-N 0 3 318.333 1.693 20 5 DDBDHN [NH3+]CCS(=O)(=O)[N-]c1cc2cccnc2c2ncccc12 ZINC001237699756 889814430 /nfs/dbraw/zinc/81/44/30/889814430.db2.gz RQEDBHQNVITEIC-UHFFFAOYSA-N 0 3 302.359 1.483 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(NC(N)=O)CC1 ZINC001254550046 896498215 /nfs/dbraw/zinc/49/82/15/896498215.db2.gz BZAHDKMHPXKNTQ-LLVKDONJSA-N 0 3 306.366 1.659 20 5 DDBDHN CN(C)C(=O)C1(N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC001254588334 896519163 /nfs/dbraw/zinc/51/91/63/896519163.db2.gz DLBXKIYMASLWFF-CYBMUJFWSA-N 0 3 303.362 1.663 20 5 DDBDHN CN(CCCNC(=O)c1ncc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001264983557 901390253 /nfs/dbraw/zinc/39/02/53/901390253.db2.gz GCQAULCVXOQKJP-UHFFFAOYSA-N 0 3 317.349 1.570 20 5 DDBDHN O=c1[n-]ccc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c1[N+](=O)[O-] ZINC001307199645 916086402 /nfs/dbraw/zinc/08/64/02/916086402.db2.gz YFGLQKNIALBUAA-LBPRGKRZSA-N 0 3 322.365 1.433 20 5 DDBDHN CCc1n[nH]c(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000278571655 214244685 /nfs/dbraw/zinc/24/46/85/214244685.db2.gz KNSRYTXLAWUNOK-VHSXEESVSA-N 0 3 309.370 1.435 20 5 DDBDHN CCc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000278571655 214244688 /nfs/dbraw/zinc/24/46/88/214244688.db2.gz KNSRYTXLAWUNOK-VHSXEESVSA-N 0 3 309.370 1.435 20 5 DDBDHN Cc1ccc(C(=O)NC[C@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000452351190 231356811 /nfs/dbraw/zinc/35/68/11/231356811.db2.gz PHCQTEBMJXTKMZ-CQSZACIVSA-N 0 3 321.377 1.480 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN(CCO)C(C)(C)C1 ZINC000615140571 362170522 /nfs/dbraw/zinc/17/05/22/362170522.db2.gz XXQZPPDLHJYDPK-UHFFFAOYSA-N 0 3 307.394 1.792 20 5 DDBDHN CN(CCN(C)C1CC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444675804 529903301 /nfs/dbraw/zinc/90/33/01/529903301.db2.gz SBADEHDCSNDULX-UHFFFAOYSA-N 0 3 303.366 1.997 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491889107 530057038 /nfs/dbraw/zinc/05/70/38/530057038.db2.gz UURSUSVHMRGDDF-VUDGCMKMSA-N 0 3 307.325 1.958 20 5 DDBDHN CC1(C)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000279708060 215079369 /nfs/dbraw/zinc/07/93/69/215079369.db2.gz HRPSJSAVIJIJMO-JSGCOSHPSA-N 0 3 310.350 1.037 20 5 DDBDHN CN(C(=O)CNc1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000171534864 186171362 /nfs/dbraw/zinc/17/13/62/186171362.db2.gz MZOKYMNTXWDSFJ-UHFFFAOYSA-N 0 3 306.366 1.559 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000617352630 363066916 /nfs/dbraw/zinc/06/69/16/363066916.db2.gz JAILZQAVGAUBSM-GFCCVEGCSA-N 0 3 319.361 1.818 20 5 DDBDHN CCN1CCN(C[C@@H](C)CNc2ncccc2[N+](=O)[O-])CC1 ZINC000060380155 352870066 /nfs/dbraw/zinc/87/00/66/352870066.db2.gz QZPMGUFITOETSL-ZDUSSCGKSA-N 0 3 307.398 1.675 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000065892030 352967735 /nfs/dbraw/zinc/96/77/35/352967735.db2.gz KVLSOTTXTCJKNJ-VXGBXAGGSA-N 0 3 323.397 1.336 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000068486295 353115041 /nfs/dbraw/zinc/11/50/41/353115041.db2.gz PBGFSQMVGYBMMQ-GFCCVEGCSA-N 0 3 307.350 1.770 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCCC2)c1 ZINC000068064380 353084717 /nfs/dbraw/zinc/08/47/17/353084717.db2.gz LYFIIYGDAITWQN-LLVKDONJSA-N 0 3 307.350 1.818 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCCc3sccc32)c1 ZINC000315531645 354494799 /nfs/dbraw/zinc/49/47/99/354494799.db2.gz HDFADFVJGBEWIW-DGCLKSJQSA-N 0 3 322.390 1.881 20 5 DDBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H](C)C1 ZINC000346231299 283035067 /nfs/dbraw/zinc/03/50/67/283035067.db2.gz OBROETMBQSTOQC-OBJOEFQTSA-N 0 3 320.393 1.736 20 5 DDBDHN O=[N+]([O-])c1cccc2c(N3CCN4C[C@H](O)C[C@H]4C3)ccnc21 ZINC000405214651 354677371 /nfs/dbraw/zinc/67/73/71/354677371.db2.gz JMRTZJZNIUVNND-NWDGAFQWSA-N 0 3 314.345 1.398 20 5 DDBDHN C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000588683520 354928577 /nfs/dbraw/zinc/92/85/77/354928577.db2.gz KTJAEZAPSSJIGT-ZWNOBZJWSA-N 0 3 317.349 1.739 20 5 DDBDHN C[C@@H](CCCO)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590655157 355138666 /nfs/dbraw/zinc/13/86/66/355138666.db2.gz BAQCYBSOHLTTKE-NSHDSACASA-N 0 3 310.350 1.864 20 5 DDBDHN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1N(C)C ZINC000332645762 235236320 /nfs/dbraw/zinc/23/63/20/235236320.db2.gz LHPXRXDDYHCSNC-RKDXNWHRSA-N 0 3 319.408 1.227 20 5 DDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CNCCC1(F)F ZINC000591669569 355357603 /nfs/dbraw/zinc/35/76/03/355357603.db2.gz ZECXHMHUBNHOSU-NSHDSACASA-N 0 3 313.304 1.798 20 5 DDBDHN CN(CCN1CCCCC1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000593518050 355911768 /nfs/dbraw/zinc/91/17/68/355911768.db2.gz XEINWHWEKNOGMY-UHFFFAOYSA-N 0 3 304.354 1.560 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CN)C(F)(F)F)c1 ZINC000594451323 356221651 /nfs/dbraw/zinc/22/16/51/356221651.db2.gz KGQYQLWZHIZOJB-VIFPVBQESA-N 0 3 307.228 1.223 20 5 DDBDHN NC[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000594450693 356221711 /nfs/dbraw/zinc/22/17/11/356221711.db2.gz QDZZLPGFIDZMJQ-JTQLQIEISA-N 0 3 305.256 1.533 20 5 DDBDHN NC[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(F)(F)F ZINC000594450986 356222020 /nfs/dbraw/zinc/22/20/20/356222020.db2.gz ANGCHWFKUNJMCV-JTQLQIEISA-N 0 3 317.223 1.960 20 5 DDBDHN C[C@H](NC(=O)N[C@@H](CN)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000594524934 356243104 /nfs/dbraw/zinc/24/31/04/356243104.db2.gz NQKPAUOFJWAZCY-XVKPBYJWSA-N 0 3 320.271 1.845 20 5 DDBDHN COCCN(C)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595042032 356376001 /nfs/dbraw/zinc/37/60/01/356376001.db2.gz SKKCGTXMLCFPNS-GFCCVEGCSA-N 0 3 311.382 1.832 20 5 DDBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@H](Cn2ccnn2)C1 ZINC000595608845 356575741 /nfs/dbraw/zinc/57/57/41/356575741.db2.gz XJRAZMVJFXZACX-ZDUSSCGKSA-N 0 3 317.349 1.587 20 5 DDBDHN O=C1CC[C@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000595744987 356632382 /nfs/dbraw/zinc/63/23/82/356632382.db2.gz XPLWGVKCKBYEPX-DZGCQCFKSA-N 0 3 303.362 1.738 20 5 DDBDHN C[C@]12COC[C@H]1CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000595754986 356637473 /nfs/dbraw/zinc/63/74/73/356637473.db2.gz DOMQTFNESKNIKO-XPKDYRNWSA-N 0 3 322.361 1.303 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H]3COC[C@H]3C2)c1 ZINC000595826596 356665887 /nfs/dbraw/zinc/66/58/87/356665887.db2.gz AWPAMPVMNJOSFM-GZBFAFLISA-N 0 3 322.361 1.303 20 5 DDBDHN CCN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000618288413 363567611 /nfs/dbraw/zinc/56/76/11/363567611.db2.gz GFIDKOXNXDTACC-NSHDSACASA-N 0 3 303.366 1.997 20 5 DDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596151944 356792685 /nfs/dbraw/zinc/79/26/85/356792685.db2.gz MYSZBNFUPDOZAV-MFKMUULPSA-N 0 3 306.366 1.470 20 5 DDBDHN CN(C)C[C@@H](CO)Nc1c(Br)cccc1[N+](=O)[O-] ZINC000596240901 356829151 /nfs/dbraw/zinc/82/91/51/356829151.db2.gz BLKKDSKJUJWSMU-QMMMGPOBSA-N 0 3 318.171 1.692 20 5 DDBDHN CCCN1CC[C@@H](Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000596516252 356903437 /nfs/dbraw/zinc/90/34/37/356903437.db2.gz DEVOUTZVPPXMLU-LLVKDONJSA-N 0 3 322.365 1.981 20 5 DDBDHN CCCN(CCN1CCCC1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291107093 283244197 /nfs/dbraw/zinc/24/41/97/283244197.db2.gz LBOBDKDUKOCGJR-UHFFFAOYSA-N 0 3 321.381 1.401 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597923123 357384016 /nfs/dbraw/zinc/38/40/16/357384016.db2.gz LSLLQYBUENYKMR-SECBINFHSA-N 0 3 309.370 1.483 20 5 DDBDHN CCCN1CC[C@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000598343342 357545133 /nfs/dbraw/zinc/54/51/33/357545133.db2.gz VEHOFCURLGNCHU-LBPRGKRZSA-N 0 3 307.350 1.818 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCN1CC[C@H](O)C1)CCC2 ZINC000599092067 357813660 /nfs/dbraw/zinc/81/36/60/357813660.db2.gz DVSJKNBTEGGDRS-GOEBONIOSA-N 0 3 305.378 1.628 20 5 DDBDHN CC[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000599100972 357815782 /nfs/dbraw/zinc/81/57/82/357815782.db2.gz LKUVPXNTEHFMAT-JGVFFNPUSA-N 0 3 305.381 1.075 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CN1C1CC1 ZINC000180854428 199218636 /nfs/dbraw/zinc/21/86/36/199218636.db2.gz XSNCBTBHPRGMNV-VHSXEESVSA-N 0 3 304.350 1.532 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000602724369 359150669 /nfs/dbraw/zinc/15/06/69/359150669.db2.gz KGKVDOUGHSENHS-HZPDHXFCSA-N 0 3 317.345 1.388 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997601 359346096 /nfs/dbraw/zinc/34/60/96/359346096.db2.gz NKDLRMNACFFHFG-RDBSUJKOSA-N 0 3 308.382 1.725 20 5 DDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCN(C)C1CC1 ZINC000186782698 200009510 /nfs/dbraw/zinc/00/95/10/200009510.db2.gz GWFRCXGBMCTDBX-LBPRGKRZSA-N 0 3 320.393 1.948 20 5 DDBDHN CCO[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000604436835 359750495 /nfs/dbraw/zinc/75/04/95/359750495.db2.gz ASQVPBYQBVPZDN-ZBFHGGJFSA-N 0 3 324.377 1.835 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](CCO)C2)c1 ZINC000609204400 360273540 /nfs/dbraw/zinc/27/35/40/360273540.db2.gz MUQXDZKGYRNRMX-UKRRQHHQSA-N 0 3 324.377 1.429 20 5 DDBDHN CN(C)CCO[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000610764400 360531333 /nfs/dbraw/zinc/53/13/33/360531333.db2.gz GXGBJEBBASXECG-LLVKDONJSA-N 0 3 314.773 1.800 20 5 DDBDHN C[C@@H](CCN1CCN(C)CC1)NCc1ccc([N+](=O)[O-])cc1F ZINC000349851186 284077506 /nfs/dbraw/zinc/07/75/06/284077506.db2.gz NJJCXJTWNYORFY-ZDUSSCGKSA-N 0 3 324.400 1.850 20 5 DDBDHN C[C@@H](CCN1CCOCC1)NCc1ccc([N+](=O)[O-])cc1F ZINC000350286200 284178170 /nfs/dbraw/zinc/17/81/70/284178170.db2.gz KLBHJZUTLYRPGC-LBPRGKRZSA-N 0 3 311.357 1.934 20 5 DDBDHN CC[C@H]1CCCCN1CCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000265028009 204352108 /nfs/dbraw/zinc/35/21/08/204352108.db2.gz XAOGHFNITUKAIH-ZDUSSCGKSA-N 0 3 323.397 1.480 20 5 DDBDHN CN(C[C@@H]1CCCN(C)C1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000266073817 205076169 /nfs/dbraw/zinc/07/61/69/205076169.db2.gz XMIBDSICGHPCCZ-LLVKDONJSA-N 0 3 306.366 1.472 20 5 DDBDHN Cc1ccc(CN2CCO[C@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000284719168 218147620 /nfs/dbraw/zinc/14/76/20/218147620.db2.gz UTHHUGJRDMOMSA-HOTGVXAUSA-N 0 3 305.378 1.808 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]2CCN(C)C[C@H]21 ZINC000284923278 218235333 /nfs/dbraw/zinc/23/53/33/218235333.db2.gz UDBBXQCDVTWMIZ-GDBMZVCRSA-N 0 3 321.377 1.508 20 5 DDBDHN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)Cc1ccccc1 ZINC000340467448 251069849 /nfs/dbraw/zinc/06/98/49/251069849.db2.gz PFMMSGWLGPCUTM-CYBMUJFWSA-N 0 3 316.361 1.826 20 5 DDBDHN COCCNCCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417146583 533024483 /nfs/dbraw/zinc/02/44/83/533024483.db2.gz YJARZEKTPTUEQJ-LLVKDONJSA-N 0 3 310.354 1.191 20 5 DDBDHN CN(C)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000158952735 197314062 /nfs/dbraw/zinc/31/40/62/197314062.db2.gz NHKTZTMUXOCLBN-NSHDSACASA-N 0 3 321.312 1.490 20 5 DDBDHN Cn1cc(CN2CCC[C@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000158748956 197298007 /nfs/dbraw/zinc/29/80/07/197298007.db2.gz HHIRCFUHZUXURE-HNNXBMFYSA-N 0 3 316.361 1.952 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000422718201 533223085 /nfs/dbraw/zinc/22/30/85/533223085.db2.gz PIEMKJNPXZSSRX-HOTGVXAUSA-N 0 3 321.377 1.460 20 5 DDBDHN CCS(=O)(=O)CCCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000414546294 224351172 /nfs/dbraw/zinc/35/11/72/224351172.db2.gz SYCCNYFFXVZZMC-UHFFFAOYSA-N 0 3 300.380 1.818 20 5 DDBDHN CCN1CC[C@@H]2OCCN(c3nc(C)cc(C)c3[N+](=O)[O-])[C@H]2C1 ZINC000338734567 285380809 /nfs/dbraw/zinc/38/08/09/285380809.db2.gz SZHZXKIUGRLADI-KBPBESRZSA-N 0 3 320.393 1.906 20 5 DDBDHN COc1cc(C(=O)NC[C@@H]2CCCN2C)c([N+](=O)[O-])cc1F ZINC000294869979 533538857 /nfs/dbraw/zinc/53/88/57/533538857.db2.gz BVXZDLKSWYBXOS-VIFPVBQESA-N 0 3 311.313 1.567 20 5 DDBDHN CC[C@@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000007070660 406749718 /nfs/dbraw/zinc/74/97/18/406749718.db2.gz CPGSCBQEAZVNMW-SNVBAGLBSA-N 0 3 301.368 1.261 20 5 DDBDHN Cc1ccc([C@H](C)NCCCS(N)(=O)=O)cc1[N+](=O)[O-] ZINC000045067614 407039054 /nfs/dbraw/zinc/03/90/54/407039054.db2.gz ZPLYWBXQSRYQRC-JTQLQIEISA-N 0 3 301.368 1.232 20 5 DDBDHN CN1CCC(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000077309740 406984848 /nfs/dbraw/zinc/98/48/48/406984848.db2.gz CIZWTCIKNUZAPY-UHFFFAOYSA-N 0 3 303.322 1.295 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079338047 407053993 /nfs/dbraw/zinc/05/39/93/407053993.db2.gz MTPFJCKOTWKOPH-CYBMUJFWSA-N 0 3 320.393 1.632 20 5 DDBDHN C[C@H]1C[C@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000124811938 407370380 /nfs/dbraw/zinc/37/03/80/407370380.db2.gz LLPVMHOMXAFNEL-QWHCGFSZSA-N 0 3 321.377 1.915 20 5 DDBDHN C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCOC1 ZINC000266192285 407533604 /nfs/dbraw/zinc/53/36/04/407533604.db2.gz ZBJITSIISFHXKH-QWRGUYRKSA-N 0 3 308.334 1.976 20 5 DDBDHN Cc1ccc(C(=O)NCC2(O)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000266772730 407628769 /nfs/dbraw/zinc/62/87/69/407628769.db2.gz QRURWFFLINSLCQ-UHFFFAOYSA-N 0 3 307.350 1.090 20 5 DDBDHN CCN1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000118827271 407949510 /nfs/dbraw/zinc/94/95/10/407949510.db2.gz YYVYQUGVPDQCMG-ZDUSSCGKSA-N 0 3 320.393 1.949 20 5 DDBDHN O=C(Cc1ccccc1[N+](=O)[O-])NCCCN1CCC(O)CC1 ZINC000118722484 407937507 /nfs/dbraw/zinc/93/75/07/407937507.db2.gz CYTGSXKEAUBJST-UHFFFAOYSA-N 0 3 321.377 1.100 20 5 DDBDHN O=C(NCCCN1CCC(O)CC1)c1ccccc1[N+](=O)[O-] ZINC000118721985 407938857 /nfs/dbraw/zinc/93/88/57/407938857.db2.gz LVRSGSQQVGRZGC-UHFFFAOYSA-N 0 3 307.350 1.171 20 5 DDBDHN C[C@H](O)[C@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181859068 408048012 /nfs/dbraw/zinc/04/80/12/408048012.db2.gz VJYJQXLRXJWSBF-MELADBBJSA-N 0 3 324.377 1.570 20 5 DDBDHN C[C@H](O)[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000136330915 408097813 /nfs/dbraw/zinc/09/78/13/408097813.db2.gz GTLRIYNNDSIICG-YDHLFZDLSA-N 0 3 324.377 1.427 20 5 DDBDHN COCCN1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000141473900 408180600 /nfs/dbraw/zinc/18/06/00/408180600.db2.gz VDJICGAGBWPOQD-UHFFFAOYSA-N 0 3 321.377 1.364 20 5 DDBDHN CCOC[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246310963 408217132 /nfs/dbraw/zinc/21/71/32/408217132.db2.gz ZIRMKDXYAXURSF-UKRRQHHQSA-N 0 3 324.377 1.693 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000269459844 408317166 /nfs/dbraw/zinc/31/71/66/408317166.db2.gz HMGNVBZGGJFJQY-VHSXEESVSA-N 0 3 321.381 1.796 20 5 DDBDHN CCO[C@@H]1C[C@@H](O)C12CCN(CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000176261588 408327718 /nfs/dbraw/zinc/32/77/18/408327718.db2.gz WYFSTDWVBFYQJL-CHWSQXEVSA-N 0 3 324.381 1.043 20 5 DDBDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000160308197 408468312 /nfs/dbraw/zinc/46/83/12/408468312.db2.gz QNVSXVPTMMNNRV-GFCCVEGCSA-N 0 3 307.350 1.171 20 5 DDBDHN Cc1cc(NC(=O)NCC2(O)CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000274802786 408537470 /nfs/dbraw/zinc/53/74/70/408537470.db2.gz KXKIQLBUBXPEKZ-UHFFFAOYSA-N 0 3 322.365 1.481 20 5 DDBDHN Cc1ccc([C@@H](C)NCCC(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000177833590 408725883 /nfs/dbraw/zinc/72/58/83/408725883.db2.gz GNEHRSYTCGQDJX-CYBMUJFWSA-N 0 3 321.377 1.803 20 5 DDBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000270921549 408742490 /nfs/dbraw/zinc/74/24/90/408742490.db2.gz KBJMQWKYCNCAQE-LLVKDONJSA-N 0 3 320.393 1.979 20 5 DDBDHN CCCN(CCN1CCCCC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000286179623 408937563 /nfs/dbraw/zinc/93/75/63/408937563.db2.gz KXHHRVQZZDPGIZ-UHFFFAOYSA-N 0 3 323.397 1.516 20 5 DDBDHN C[C@@H]1CN(CCCNC(=O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000277396223 408933073 /nfs/dbraw/zinc/93/30/73/408933073.db2.gz DQDUQLOINNONDA-CYBMUJFWSA-N 0 3 321.377 1.826 20 5 DDBDHN C[C@H]1NCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1C ZINC000277477096 408948479 /nfs/dbraw/zinc/94/84/79/408948479.db2.gz LKPPIFFVINVBSQ-NXEZZACHSA-N 0 3 311.313 1.322 20 5 DDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CCCCN1C1CC1 ZINC000277570282 408968248 /nfs/dbraw/zinc/96/82/48/408968248.db2.gz ZTERFYPKXJKZHP-LLVKDONJSA-N 0 3 319.365 1.518 20 5 DDBDHN CC[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N(C)C ZINC000278227773 409077365 /nfs/dbraw/zinc/07/73/65/409077365.db2.gz VADWZDSXBLOZIW-LBPRGKRZSA-N 0 3 305.338 1.428 20 5 DDBDHN C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000293786027 409179243 /nfs/dbraw/zinc/17/92/43/409179243.db2.gz WMCLEHXZQJQFAY-LLVKDONJSA-N 0 3 321.381 1.275 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](CO)[C@@H]1CCOC1 ZINC000280289010 409285731 /nfs/dbraw/zinc/28/57/31/409285731.db2.gz MLYKVLYAPJTEON-TZMCWYRMSA-N 0 3 324.377 1.728 20 5 DDBDHN Cc1nc(NCCCN2CCCO[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000295083731 409315898 /nfs/dbraw/zinc/31/58/98/409315898.db2.gz RMVOBGIQMXOMLI-LLVKDONJSA-N 0 3 309.370 1.606 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295099028 409319620 /nfs/dbraw/zinc/31/96/20/409319620.db2.gz KDAAVTVPAJMUMW-CVEARBPZSA-N 0 3 305.378 1.808 20 5 DDBDHN Cc1ccc(CN(C)[C@@H]2CCN3CCO[C@H]2C3)cc1[N+](=O)[O-] ZINC000295135111 409335925 /nfs/dbraw/zinc/33/59/25/409335925.db2.gz PAJALHKMOURMLX-ZBFHGGJFSA-N 0 3 305.378 1.808 20 5 DDBDHN CNc1c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000317286339 164027355 /nfs/dbraw/zinc/02/73/55/164027355.db2.gz KMXJZRUAOOBCEG-GHMZBOCLSA-N 0 3 306.366 1.849 20 5 DDBDHN COC[C@@H](C)OC[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296870137 409678224 /nfs/dbraw/zinc/67/82/24/409678224.db2.gz ZMVNOKNCWLRJBS-XUJVJEKNSA-N 0 3 312.366 1.658 20 5 DDBDHN CC(C)(CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000308679342 409785815 /nfs/dbraw/zinc/78/58/15/409785815.db2.gz KPAOYRZQVOSSLF-UHFFFAOYSA-N 0 3 307.354 1.176 20 5 DDBDHN C[C@H](CN(C)C)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000346131781 409806015 /nfs/dbraw/zinc/80/60/15/409806015.db2.gz HWWRAODQWMJBTG-GFCCVEGCSA-N 0 3 308.382 1.853 20 5 DDBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000346142385 409818136 /nfs/dbraw/zinc/81/81/36/409818136.db2.gz XYLHAEYFOCHILB-NWDGAFQWSA-N 0 3 306.366 1.632 20 5 DDBDHN CCc1n[nH]c(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000346144008 409819163 /nfs/dbraw/zinc/81/91/63/409819163.db2.gz UCIWFUGLJSCOKH-WDEREUQCSA-N 0 3 323.397 1.873 20 5 DDBDHN C[C@@H]([NH3+])C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000320698810 409906596 /nfs/dbraw/zinc/90/65/96/409906596.db2.gz RLRYJDLNEGYYAV-HTQZYQBOSA-N 0 3 321.786 1.652 20 5 DDBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H](C)C1 ZINC000346229484 409870671 /nfs/dbraw/zinc/87/06/71/409870671.db2.gz MBNUOODYTMMJMR-JBLDHEPKSA-N 0 3 307.354 1.120 20 5 DDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000346722356 410112282 /nfs/dbraw/zinc/11/22/82/410112282.db2.gz RCAKOFBZHAHCJJ-LLVKDONJSA-N 0 3 310.354 1.106 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCN1C ZINC000332695025 410219546 /nfs/dbraw/zinc/21/95/46/410219546.db2.gz RJERJTBNEAAPTB-GXSJLCMTSA-N 0 3 321.333 1.536 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCCN(C)[C@H]1C ZINC000343457051 410466649 /nfs/dbraw/zinc/46/66/49/410466649.db2.gz KOYBYCNWNJOCKQ-GXFFZTMASA-N 0 3 306.366 1.849 20 5 DDBDHN CCC[C@H](NC(C)C)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000352044132 410437540 /nfs/dbraw/zinc/43/75/40/410437540.db2.gz FJFAWLRTNNYUAL-ZDUSSCGKSA-N 0 3 319.365 2.576 20 5 DDBDHN CCCN1CCC[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000343568387 410539824 /nfs/dbraw/zinc/53/98/24/410539824.db2.gz KRGJYNYPXXAZLV-NSHDSACASA-N 0 3 306.366 1.781 20 5 DDBDHN CC[C@@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)N(C)C ZINC000359615861 410773334 /nfs/dbraw/zinc/77/33/34/410773334.db2.gz MQLYJZCMOQCTNI-ZDUSSCGKSA-N 0 3 307.350 1.656 20 5 DDBDHN CN(C)CCOCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000359633811 410782834 /nfs/dbraw/zinc/78/28/34/410782834.db2.gz KNMKWPZTXMJELO-UHFFFAOYSA-N 0 3 314.317 1.434 20 5 DDBDHN CN1CC[C@@H]2[C@@H](CCCN2c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000302709283 410849581 /nfs/dbraw/zinc/84/95/81/410849581.db2.gz DDRCDJFGXZZMDV-NWDGAFQWSA-N 0 3 316.365 1.558 20 5 DDBDHN COc1ccc(NC(=O)CN[C@@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000359807183 410892025 /nfs/dbraw/zinc/89/20/25/410892025.db2.gz LFWUJEPMUAIAQA-LBPRGKRZSA-N 0 3 311.338 1.148 20 5 DDBDHN [NH3+][C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000133148987 196316500 /nfs/dbraw/zinc/31/65/00/196316500.db2.gz MTKOIRTWTQVSST-JTQLQIEISA-N 0 3 319.770 1.264 20 5 DDBDHN [NH3+][C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000133162518 196317196 /nfs/dbraw/zinc/31/71/96/196317196.db2.gz OEJXAFLARFWGNK-VIFPVBQESA-N 0 3 319.770 1.264 20 5 DDBDHN CNc1nccc(C(=O)N(CCN(C)C)C2CC2)c1[N+](=O)[O-] ZINC000517756132 416823673 /nfs/dbraw/zinc/82/36/73/416823673.db2.gz FUHJBONLNGBRTQ-UHFFFAOYSA-N 0 3 307.354 1.198 20 5 DDBDHN C[C@@H](CO)[C@@H](C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295877181 225338758 /nfs/dbraw/zinc/33/87/58/225338758.db2.gz ZLTYKRRZFOLWKI-DTWKUNHWSA-N 0 3 315.757 1.793 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-]C(C)(C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000422552884 227046684 /nfs/dbraw/zinc/04/66/84/227046684.db2.gz IOCLOCKSBHCQPC-UHFFFAOYSA-N 0 3 301.368 1.309 20 5 DDBDHN CCOC(=O)C[C@@](C)(NCc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000360677255 418490130 /nfs/dbraw/zinc/49/01/30/418490130.db2.gz XNHXGVBRQKWWPY-CQSZACIVSA-N 0 3 312.370 1.786 20 5 DDBDHN CO[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000374679138 418554176 /nfs/dbraw/zinc/55/41/76/418554176.db2.gz MOMVAUZIIUYITG-ZDUSSCGKSA-N 0 3 307.350 1.695 20 5 DDBDHN C[C@H]1CN(CCCCNc2ccncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000361073602 418576908 /nfs/dbraw/zinc/57/69/08/418576908.db2.gz LTLZZBJOFALYQU-STQMWFEESA-N 0 3 308.382 1.713 20 5 DDBDHN CCN(C[C@H](C)OC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000291312706 222305506 /nfs/dbraw/zinc/30/55/06/222305506.db2.gz TWUHCQHEWCQJPF-STQMWFEESA-N 0 3 312.366 1.691 20 5 DDBDHN Cc1ccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000367461259 418601518 /nfs/dbraw/zinc/60/15/18/418601518.db2.gz UBWYAPNUYYCMIM-RDJZCZTQSA-N 0 3 319.405 1.934 20 5 DDBDHN CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000361593757 418689796 /nfs/dbraw/zinc/68/97/96/418689796.db2.gz HICVYHGTKJRNPY-ZIAGYGMSSA-N 0 3 310.350 1.445 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CC[NH3+])C(F)F ZINC000383288871 418733592 /nfs/dbraw/zinc/73/35/92/418733592.db2.gz LCABASXLHUUBBJ-SECBINFHSA-N 0 3 323.321 1.164 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCCN([C@H](C)CO)CC1 ZINC000364922021 418822531 /nfs/dbraw/zinc/82/25/31/418822531.db2.gz LUSBLPVFAFVWCZ-CQSZACIVSA-N 0 3 307.394 1.792 20 5 DDBDHN C[C@H](CO)N1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000364932852 418824732 /nfs/dbraw/zinc/82/47/32/418824732.db2.gz KRYWPAUYNHKPAH-CYBMUJFWSA-N 0 3 321.377 1.052 20 5 DDBDHN CN1CC[C@H](CNc2ncc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000364961223 418827737 /nfs/dbraw/zinc/82/77/37/418827737.db2.gz YAOHNDLEYFUKHU-ZWNOBZJWSA-N 0 3 319.390 2.551 20 5 DDBDHN C[C@@H]1[C@H](C)N(C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411430316 418903330 /nfs/dbraw/zinc/90/33/30/418903330.db2.gz OALBNPRODBTTJM-QWHCGFSZSA-N 0 3 320.393 1.948 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCN2[C@H](C)CCC[C@H]2C)n1 ZINC000427456351 419662508 /nfs/dbraw/zinc/66/25/08/419662508.db2.gz GTSCMVARJSTVEC-VXGBXAGGSA-N 0 3 323.397 1.804 20 5 DDBDHN Cc1cc(OCC(=O)N(C)C[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000421711530 419698594 /nfs/dbraw/zinc/69/85/94/419698594.db2.gz OOGHTXGXFTZLEY-ZDUSSCGKSA-N 0 3 321.377 1.835 20 5 DDBDHN COc1ccc(NC(=O)CNC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000423718429 420141214 /nfs/dbraw/zinc/14/12/14/420141214.db2.gz CPNMPFZTVOMKOX-LLVKDONJSA-N 0 3 309.322 1.311 20 5 DDBDHN C[C@]1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CCCCN1 ZINC000423723700 420143846 /nfs/dbraw/zinc/14/38/46/420143846.db2.gz MABOWZBLEVPGPP-CQSZACIVSA-N 0 3 303.322 1.942 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[NH2+][C@H]2C)c([N+](=O)[O-])c1 ZINC000420471915 420306940 /nfs/dbraw/zinc/30/69/40/420306940.db2.gz BWHVGSHNZXWRFZ-QWRGUYRKSA-N 0 3 313.379 1.322 20 5 DDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420635550 420336719 /nfs/dbraw/zinc/33/67/19/420336719.db2.gz ZLDIJIYXCHTNNG-NWDGAFQWSA-N 0 3 318.377 1.757 20 5 DDBDHN Cc1cc(C)cc(CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000444699055 230122608 /nfs/dbraw/zinc/12/26/08/230122608.db2.gz DQLPWOKCBDDLBB-MRXNPFEDSA-N 0 3 318.377 1.901 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000450852623 420545168 /nfs/dbraw/zinc/54/51/68/420545168.db2.gz CYKWMOPOKZQZQM-UHTWSYAYSA-N 0 3 306.366 1.766 20 5 DDBDHN CCCc1n[nH]c(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000457114142 420619240 /nfs/dbraw/zinc/61/92/40/420619240.db2.gz KGGZXCAPRSYCHI-LLVKDONJSA-N 0 3 323.397 1.825 20 5 DDBDHN O=C(N[C@H]1CNCCC1(F)F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000449667182 421052621 /nfs/dbraw/zinc/05/26/21/421052621.db2.gz QQOHEDNYYBAZDV-JTQLQIEISA-N 0 3 303.240 1.461 20 5 DDBDHN CNc1nc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000455769099 421060077 /nfs/dbraw/zinc/06/00/77/421060077.db2.gz YUSJAPJMERAGML-UWVGGRQHSA-N 0 3 307.354 1.244 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000456172229 421113012 /nfs/dbraw/zinc/11/30/12/421113012.db2.gz SFSADMINTCZGBD-RISCZKNCSA-N 0 3 304.350 1.169 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CCCN2CCCO)n1 ZINC000450598851 421215142 /nfs/dbraw/zinc/21/51/42/421215142.db2.gz RSCVMKZHEPBCOW-CYBMUJFWSA-N 0 3 308.382 1.865 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCN(C3CC3)C2)n1 ZINC000561143777 421308012 /nfs/dbraw/zinc/30/80/12/421308012.db2.gz HVASKMYVXCWKIE-SNVBAGLBSA-N 0 3 320.349 1.673 20 5 DDBDHN C[C@H]1CCN(CCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000524720014 421267313 /nfs/dbraw/zinc/26/73/13/421267313.db2.gz UQERUYDFQHVAER-LBPRGKRZSA-N 0 3 307.350 1.432 20 5 DDBDHN CN(C)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccc1 ZINC000547751501 421363503 /nfs/dbraw/zinc/36/35/03/421363503.db2.gz AHZYDULATWWANB-LBPRGKRZSA-N 0 3 303.322 1.351 20 5 DDBDHN CN1CCN(C)[C@@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563418846 421506553 /nfs/dbraw/zinc/50/65/53/421506553.db2.gz QINQVXDWMRYTBR-SWLSCSKDSA-N 0 3 304.394 1.418 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000571577374 421727886 /nfs/dbraw/zinc/72/78/86/421727886.db2.gz OWLBBQTYIFDNEC-MNOVXSKESA-N 0 3 318.377 1.992 20 5 DDBDHN CN(CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000522142480 421817391 /nfs/dbraw/zinc/81/73/91/421817391.db2.gz BIBVSMGFAJOWON-UHFFFAOYSA-N 0 3 322.365 1.367 20 5 DDBDHN O=C(NC1CCN(C2CCC2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000584037475 422244671 /nfs/dbraw/zinc/24/46/71/422244671.db2.gz UTPNSWOVTLTJSB-UHFFFAOYSA-N 0 3 304.350 1.737 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]2COCC[C@@H]21 ZINC000341583122 271127329 /nfs/dbraw/zinc/12/73/29/271127329.db2.gz UISULLXAWUIHOU-OCCSQVGLSA-N 0 3 307.350 1.257 20 5 DDBDHN COc1cc(CN[C@H]2CCC(=O)N[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000342053281 271282909 /nfs/dbraw/zinc/28/29/09/271282909.db2.gz WFYXPUPVKGMKNU-LRDDRELGSA-N 0 3 319.361 1.750 20 5 DDBDHN Cc1ccc(NC(=O)NCCNc2ccncc2)cc1[N+](=O)[O-] ZINC000345771710 272330473 /nfs/dbraw/zinc/33/04/73/272330473.db2.gz VYXVQSURCJKPDX-UHFFFAOYSA-N 0 3 315.333 1.954 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000345883204 272356838 /nfs/dbraw/zinc/35/68/38/272356838.db2.gz YUHOHHCHOJRLKI-VXGBXAGGSA-N 0 3 323.397 1.479 20 5 DDBDHN C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000193522072 274362157 /nfs/dbraw/zinc/36/21/57/274362157.db2.gz YGXFCQYJZABWQZ-LLVKDONJSA-N 0 3 308.382 1.458 20 5 DDBDHN O=[N+]([O-])c1cnc2ccc(N3CCCN(C4CC4)CC3)nn21 ZINC000179288331 275041588 /nfs/dbraw/zinc/04/15/88/275041588.db2.gz NJHCCKQIYBGAGP-UHFFFAOYSA-N 0 3 302.338 1.312 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000299289169 277081119 /nfs/dbraw/zinc/08/11/19/277081119.db2.gz PDDYQCIPQLDCLJ-JTQLQIEISA-N 0 3 321.333 1.190 20 5 DDBDHN CC(C)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000137066038 278823711 /nfs/dbraw/zinc/82/37/11/278823711.db2.gz DOTFUUGCRIISRA-UHFFFAOYSA-N 0 3 309.370 1.510 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000071397264 280369469 /nfs/dbraw/zinc/36/94/69/280369469.db2.gz VHOZPXHHIRVGHD-MRVPVSSYSA-N 0 3 319.770 1.279 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN1CCCO ZINC000452784243 281257658 /nfs/dbraw/zinc/25/76/58/281257658.db2.gz OETKDMTYJDSHDZ-ZDUSSCGKSA-N 0 3 321.377 1.480 20 5 DDBDHN CN(C)C1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000416293971 282042799 /nfs/dbraw/zinc/04/27/99/282042799.db2.gz WYXXTDBOBCCIEL-UHFFFAOYSA-N 0 3 321.333 1.190 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCOCCN(C)C ZINC000361436090 299867634 /nfs/dbraw/zinc/86/76/34/299867634.db2.gz ROEVDUKSGDTZQE-UHFFFAOYSA-N 0 3 324.381 1.911 20 5 DDBDHN COc1cccc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1[N+](=O)[O-] ZINC000192572308 295287505 /nfs/dbraw/zinc/28/75/05/295287505.db2.gz OQQUABFCAZSULY-NWDGAFQWSA-N 0 3 319.361 1.912 20 5 DDBDHN CC[C@@H](CO)N1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000353996833 298334195 /nfs/dbraw/zinc/33/41/95/298334195.db2.gz GHIUXUQVNRVYPE-WRLNGNIRSA-N 0 3 319.405 1.997 20 5 DDBDHN NC[C@H]1c2ccccc2CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000573610662 304603542 /nfs/dbraw/zinc/60/35/42/304603542.db2.gz LNACTNFBKCCLNN-LBPRGKRZSA-N 0 3 301.306 1.016 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC(OC3CCOCC3)CC2)n1 ZINC000368736374 301082780 /nfs/dbraw/zinc/08/27/80/301082780.db2.gz QGZALLNXVJBIIU-UHFFFAOYSA-N 0 3 324.381 1.451 20 5 DDBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000377475390 302182686 /nfs/dbraw/zinc/18/26/86/302182686.db2.gz MBRLWJCLNUGEMC-KBPBESRZSA-N 0 3 319.361 1.117 20 5 DDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000356300537 306847099 /nfs/dbraw/zinc/84/70/99/306847099.db2.gz OUKZSHYDNPETKN-VXGBXAGGSA-N 0 3 306.366 1.632 20 5 DDBDHN C[C@H]1[C@H](N2CCCC2)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357526089 306891611 /nfs/dbraw/zinc/89/16/11/306891611.db2.gz DPOVCGGZMFRUEN-CMPLNLGQSA-N 0 3 319.365 1.152 20 5 DDBDHN CCO[C@@H]1COCC[C@@H]1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000362009976 307012379 /nfs/dbraw/zinc/01/23/79/307012379.db2.gz BQVQQWOWJMTAQA-SWLSCSKDSA-N 0 3 310.350 1.887 20 5 DDBDHN CNC(=O)c1ccc(N2CC[C@@H]3CCN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000365018718 307056574 /nfs/dbraw/zinc/05/65/74/307056574.db2.gz ORTLMWBXFZELFR-XHDPSFHLSA-N 0 3 318.377 1.485 20 5 DDBDHN O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000371518343 307152451 /nfs/dbraw/zinc/15/24/51/307152451.db2.gz PZSJGTPFBMPSGF-CYBMUJFWSA-N 0 3 319.361 1.670 20 5 DDBDHN N=C(NO)[C@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000376079638 307237698 /nfs/dbraw/zinc/23/76/98/307237698.db2.gz GGYIKWWGQXMOBS-CHWSQXEVSA-N 0 3 308.338 1.439 20 5 DDBDHN COc1ccc(CC(=O)N(C)C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000566731965 308062356 /nfs/dbraw/zinc/06/23/56/308062356.db2.gz UQKLHUILXNFELE-ZDUSSCGKSA-N 0 3 321.377 1.699 20 5 DDBDHN CNc1nc(C(=O)NC[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000572358498 308218534 /nfs/dbraw/zinc/21/85/34/308218534.db2.gz DSXVNZXVUZORPD-JTQLQIEISA-N 0 3 307.354 1.103 20 5 DDBDHN C[C@@H](C(=O)NCCNc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000576926468 308349652 /nfs/dbraw/zinc/34/96/52/308349652.db2.gz JVRKETQZLHATAJ-GFCCVEGCSA-N 0 3 314.345 1.744 20 5 DDBDHN O=C(CCN1CC[C@@]12CCOC2)Nc1ccccc1[N+](=O)[O-] ZINC000421019807 484111095 /nfs/dbraw/zinc/11/10/95/484111095.db2.gz MTVGBCRKWIIISR-HNNXBMFYSA-N 0 3 305.334 1.788 20 5 DDBDHN Cc1c(NC(=O)CCN2CC[C@H](C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000305766037 533901040 /nfs/dbraw/zinc/90/10/40/533901040.db2.gz RFDFFFVWCCRSRD-NHYWBVRUSA-N 0 3 321.377 1.935 20 5 DDBDHN CCCC[C@@H](N)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000154584559 521062924 /nfs/dbraw/zinc/06/29/24/521062924.db2.gz RPQBQYRNKOKQCC-DGCLKSJQSA-N 0 3 321.381 1.520 20 5 DDBDHN CCN(C)C(=O)CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331351481 527726091 /nfs/dbraw/zinc/72/60/91/527726091.db2.gz WLYDIKJFUNJQGN-VXGBXAGGSA-N 0 3 309.370 1.343 20 5 DDBDHN CC(C)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735883092 598500231 /nfs/dbraw/zinc/50/02/31/598500231.db2.gz WFBNPWXTFCENPA-SECBINFHSA-N 0 3 318.341 1.065 20 5 DDBDHN CC(C)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735883092 598500232 /nfs/dbraw/zinc/50/02/32/598500232.db2.gz WFBNPWXTFCENPA-SECBINFHSA-N 0 3 318.341 1.065 20 5 DDBDHN CC(C)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735883092 598500233 /nfs/dbraw/zinc/50/02/33/598500233.db2.gz WFBNPWXTFCENPA-SECBINFHSA-N 0 3 318.341 1.065 20 5 DDBDHN CC(C)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735883092 598500234 /nfs/dbraw/zinc/50/02/34/598500234.db2.gz WFBNPWXTFCENPA-SECBINFHSA-N 0 3 318.341 1.065 20 5 DDBDHN CC[C@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736328798 598500612 /nfs/dbraw/zinc/50/06/12/598500612.db2.gz YQWQMIRDBOXPPV-VIFPVBQESA-N 0 3 320.357 1.312 20 5 DDBDHN CC[C@H](C)[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736328798 598500614 /nfs/dbraw/zinc/50/06/14/598500614.db2.gz YQWQMIRDBOXPPV-VIFPVBQESA-N 0 3 320.357 1.312 20 5 DDBDHN CC[C@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736328798 598500616 /nfs/dbraw/zinc/50/06/16/598500616.db2.gz YQWQMIRDBOXPPV-VIFPVBQESA-N 0 3 320.357 1.312 20 5 DDBDHN CC[C@H](C)[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736328798 598500619 /nfs/dbraw/zinc/50/06/19/598500619.db2.gz YQWQMIRDBOXPPV-VIFPVBQESA-N 0 3 320.357 1.312 20 5 DDBDHN Cc1conc1CN(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985434054 697510409 /nfs/dbraw/zinc/51/04/09/697510409.db2.gz PSGMXWJOVXRXKP-TZMCWYRMSA-N 0 3 322.365 1.071 20 5 DDBDHN CCCc1n[nH]c(C(=O)NCCN2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000773196440 697726446 /nfs/dbraw/zinc/72/64/46/697726446.db2.gz FFSIYVXBEIUUTA-SNVBAGLBSA-N 0 3 309.370 1.485 20 5 DDBDHN C[C@H]1CCCN1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000773199221 697727091 /nfs/dbraw/zinc/72/70/91/697727091.db2.gz QCFBCOJYYVXKSC-JTQLQIEISA-N 0 3 322.321 1.717 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(C3CCC3)CC2)c2nonc21 ZINC000733302442 699587878 /nfs/dbraw/zinc/58/78/78/699587878.db2.gz UWHATWMKKOTVPY-UHFFFAOYSA-N 0 3 303.322 1.806 20 5 DDBDHN CCN(CC)CCS(=O)(=O)Oc1cccnc1[N+](=O)[O-] ZINC000810032744 701714158 /nfs/dbraw/zinc/71/41/58/701714158.db2.gz HTPNNAFBYIICCP-UHFFFAOYSA-N 0 3 303.340 1.040 20 5 DDBDHN CO[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@](C)(CO)C1 ZINC000879261388 706633043 /nfs/dbraw/zinc/63/30/43/706633043.db2.gz JMGVNWZFIXPNRL-ZNMIVQPWSA-N 0 3 310.350 1.100 20 5 DDBDHN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105179 702293265 /nfs/dbraw/zinc/29/32/65/702293265.db2.gz WPJNKEQWKMJPIB-ONGXEEELSA-N 0 3 304.302 1.710 20 5 DDBDHN CC(C)[C@@H](C(=O)OCC(C)[N+](=O)[O-])N1C[C@@H](C)O[C@H](C)C1 ZINC000813109806 702295982 /nfs/dbraw/zinc/29/59/82/702295982.db2.gz PDRMJRALTXIQOS-LPWJVIDDSA-N 0 3 302.371 1.329 20 5 DDBDHN CC(C)[C@@H](C(=O)OCC(C)[N+](=O)[O-])N1C[C@@H](C)O[C@H](C)C1 ZINC000813109805 702296152 /nfs/dbraw/zinc/29/61/52/702296152.db2.gz PDRMJRALTXIQOS-LOWDOPEQSA-N 0 3 302.371 1.329 20 5 DDBDHN CC(COC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1)[N+](=O)[O-] ZINC000813111043 702297051 /nfs/dbraw/zinc/29/70/51/702297051.db2.gz AZMJYBCWMWOXLL-RKDXNWHRSA-N 0 3 319.310 1.196 20 5 DDBDHN Cc1cc(C(=O)N2CCN[C@@H](C(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000831593211 706735591 /nfs/dbraw/zinc/73/55/91/706735591.db2.gz JDBFVVUFNILXCK-GFCCVEGCSA-N 0 3 306.366 1.555 20 5 DDBDHN O=C([N-][C@H]1CCC[NH2+]C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857762743 704621616 /nfs/dbraw/zinc/62/16/16/704621616.db2.gz AKKWWEBDTMMKRI-VIFPVBQESA-N 0 3 315.276 1.435 20 5 DDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000874828747 705187211 /nfs/dbraw/zinc/18/72/11/705187211.db2.gz HTYIKJFPUPURPI-CHWSQXEVSA-N 0 3 322.340 1.625 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)c1 ZINC000874845997 705200679 /nfs/dbraw/zinc/20/06/79/705200679.db2.gz XBZSUSUIASOXQE-GJZGRUSLSA-N 0 3 319.361 1.912 20 5 DDBDHN C[C@@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000823968692 705347081 /nfs/dbraw/zinc/34/70/81/705347081.db2.gz YILNUUOTXZECBL-SNVBAGLBSA-N 0 3 319.365 1.949 20 5 DDBDHN Cn1cc(CN[C@H]2CCc3ccccc3OC2)c([N+](=O)[O-])n1 ZINC000878563660 706428934 /nfs/dbraw/zinc/42/89/34/706428934.db2.gz XUWVVIRUDZTNFG-ZDUSSCGKSA-N 0 3 302.334 1.812 20 5 DDBDHN COc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000897219630 708257166 /nfs/dbraw/zinc/25/71/66/708257166.db2.gz MEXGMYHIKGALJH-CHWSQXEVSA-N 0 3 322.365 1.034 20 5 DDBDHN Cc1c(NC(=O)c2ccnn2CCN(C)C)cccc1[N+](=O)[O-] ZINC000899936085 709242951 /nfs/dbraw/zinc/24/29/51/709242951.db2.gz PVRDJGLMNPBAKU-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN CC(COC(=O)CC1CCN(CC(F)(F)F)CC1)[N+](=O)[O-] ZINC000893045449 710546412 /nfs/dbraw/zinc/54/64/12/710546412.db2.gz XJLYLLQWOBIOLI-SECBINFHSA-N 0 3 312.288 1.859 20 5 DDBDHN COC(=O)c1ccc(CNCCn2cc([N+](=O)[O-])cn2)cc1C ZINC000893134867 710560012 /nfs/dbraw/zinc/56/00/12/710560012.db2.gz MXKDBXYDLYLEPC-UHFFFAOYSA-N 0 3 318.333 1.676 20 5 DDBDHN CN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000893264673 710582464 /nfs/dbraw/zinc/58/24/64/710582464.db2.gz GOSGQAVRVOXNNL-AWEZNQCLSA-N 0 3 320.393 1.873 20 5 DDBDHN COc1cc([C@H](C)NC[C@@H](O)[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000903206243 711064098 /nfs/dbraw/zinc/06/40/98/711064098.db2.gz PVTFKWKFYWEOQV-COLVAYQJSA-N 0 3 310.350 1.794 20 5 DDBDHN COc1c([O-])ccc(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000895844012 711623281 /nfs/dbraw/zinc/62/32/81/711623281.db2.gz QUPOVPYPHJETEN-YPMHNXCESA-N 0 3 321.377 1.835 20 5 DDBDHN COc1c([O-])ccc(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000895844012 711623282 /nfs/dbraw/zinc/62/32/82/711623282.db2.gz QUPOVPYPHJETEN-YPMHNXCESA-N 0 3 321.377 1.835 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCO[C@@H]3CCOC3)C2)nc1 ZINC000929988916 713730011 /nfs/dbraw/zinc/73/00/11/713730011.db2.gz OOYWMASFHLUNNZ-TZMCWYRMSA-N 0 3 322.365 1.282 20 5 DDBDHN CCN(C)Cc1cc(O[C@@H]2CCN(CC[N+](=O)[O-])C2)ccn1 ZINC000931095198 714000395 /nfs/dbraw/zinc/00/03/95/714000395.db2.gz WYCXBPYDMUSYFA-OAHLLOKOSA-N 0 3 308.382 1.263 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(CCN(C)C)CC(C)C ZINC000932032694 714242310 /nfs/dbraw/zinc/24/23/10/714242310.db2.gz VCEJSDJIHWLQBE-UHFFFAOYSA-N 0 3 311.386 1.146 20 5 DDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924528863 714604907 /nfs/dbraw/zinc/60/49/07/714604907.db2.gz JXSAHGVFMDWRHL-ONGXEEELSA-N 0 3 306.322 1.138 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000925345678 714822449 /nfs/dbraw/zinc/82/24/49/714822449.db2.gz XRTKDYAZUDWVDN-IUODEOHRSA-N 0 3 320.393 1.871 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000925345677 714822458 /nfs/dbraw/zinc/82/24/58/714822458.db2.gz XRTKDYAZUDWVDN-DOMZBBRYSA-N 0 3 320.393 1.871 20 5 DDBDHN Cc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)ns1 ZINC001126372093 739550650 /nfs/dbraw/zinc/55/06/50/739550650.db2.gz NAOJUPNIGAQQQY-UHFFFAOYSA-N 0 3 320.374 1.879 20 5 DDBDHN CCCN(C)CC(=O)N(CC)CCNc1ccc([N+](=O)[O-])cn1 ZINC001106809502 746138271 /nfs/dbraw/zinc/13/82/71/746138271.db2.gz VJDMNECXCRCRHP-UHFFFAOYSA-N 0 3 323.397 1.592 20 5 DDBDHN C[C@H](N)c1ccn(-c2ncnc3cc(F)c([N+](=O)[O-])cc32)n1 ZINC001169229536 762290423 /nfs/dbraw/zinc/29/04/23/762290423.db2.gz JXNYXDQFNGQQEG-ZETCQYMHSA-N 0 3 302.269 1.883 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1COC[C@@H]1C ZINC001176355945 778132952 /nfs/dbraw/zinc/13/29/52/778132952.db2.gz PSBGAQMNZOHFJL-KWBADKCTSA-N 0 3 323.349 1.555 20 5 DDBDHN CCCOCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001155401925 862045541 /nfs/dbraw/zinc/04/55/41/862045541.db2.gz FELCWZMJBGJVBT-UHFFFAOYSA-N 0 3 315.395 1.679 20 5 DDBDHN CCn1cccc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001151189757 862666338 /nfs/dbraw/zinc/66/63/38/862666338.db2.gz DLDZDHZFISZMOU-UHFFFAOYSA-N 0 3 316.361 1.936 20 5 DDBDHN N[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001328521628 863030417 /nfs/dbraw/zinc/03/04/17/863030417.db2.gz DKZYNBAOCKFUEV-HNNXBMFYSA-N 0 3 321.377 1.997 20 5 DDBDHN CN1CCCC[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001121918265 858633114 /nfs/dbraw/zinc/63/31/14/858633114.db2.gz DEHUSFDCVPKUFH-CQSZACIVSA-N 0 3 306.366 1.878 20 5 DDBDHN CN1CCC[C@@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@H]21 ZINC001157271047 863700595 /nfs/dbraw/zinc/70/05/95/863700595.db2.gz HGXSPGPUIWXBTK-MWLCHTKSSA-N 0 3 312.757 1.412 20 5 DDBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1ccncc1 ZINC001154139914 864442930 /nfs/dbraw/zinc/44/29/30/864442930.db2.gz HWASBWJTSJGQEL-UHFFFAOYSA-N 0 3 320.374 1.961 20 5 DDBDHN Cn1cc(N[C@H]2CCCC[C@@]23CNCCO3)cc([N+](=O)[O-])c1=O ZINC001163650767 868594493 /nfs/dbraw/zinc/59/44/93/868594493.db2.gz SFSAEAJYIIYZEX-DZGCQCFKSA-N 0 3 322.365 1.007 20 5 DDBDHN COC(=O)Cc1ccc(OC2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001226213565 882284172 /nfs/dbraw/zinc/28/41/72/882284172.db2.gz DUKJKZHCYHSLGW-UHFFFAOYSA-N 0 3 308.334 1.783 20 5 DDBDHN Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3NCCO[C@H]3C2)n1 ZINC001165269041 869480325 /nfs/dbraw/zinc/48/03/25/869480325.db2.gz BCKQLKCAJYGVQQ-QWRGUYRKSA-N 0 3 312.757 1.519 20 5 DDBDHN Cc1conc1CNCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001318632818 872178909 /nfs/dbraw/zinc/17/89/09/872178909.db2.gz PKIMPZDDMYOTME-DGCLKSJQSA-N 0 3 322.365 1.167 20 5 DDBDHN COc1c([O-])ccc(C[NH2+]CCC2(CO)CCC2)c1[N+](=O)[O-] ZINC001206516786 872403116 /nfs/dbraw/zinc/40/31/16/872403116.db2.gz DYTKCTRILOAUDC-UHFFFAOYSA-N 0 3 310.350 1.951 20 5 DDBDHN COC(=O)[C@H](O[C@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC001223644524 881039023 /nfs/dbraw/zinc/03/90/23/881039023.db2.gz VHJWCLKWPXEDKR-SMDDNHRTSA-N 0 3 308.334 1.920 20 5 DDBDHN CN(CCCNC(=O)c1ccn[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001234243575 887783823 /nfs/dbraw/zinc/78/38/23/887783823.db2.gz JOLXFUBBRJHLPY-UHFFFAOYSA-N 0 3 317.349 1.570 20 5 DDBDHN COCCN1CCC(Oc2nc(OC)ccc2[N+](=O)[O-])CC1 ZINC001234881931 888237293 /nfs/dbraw/zinc/23/72/93/888237293.db2.gz SSLVIIIGXUCLEH-UHFFFAOYSA-N 0 3 311.338 1.488 20 5 DDBDHN CCN(CC)C(=O)[C@H](C)N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581439 896512929 /nfs/dbraw/zinc/51/29/29/896512929.db2.gz KHDRLJQSWUALOZ-SMDDNHRTSA-N 0 3 305.378 1.909 20 5 DDBDHN COCCCN1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254602499 896527807 /nfs/dbraw/zinc/52/78/07/896527807.db2.gz FZULSZCSAKQINO-QGZVFWFLSA-N 0 3 319.405 1.716 20 5 DDBDHN CN1CCN(CCCn2cc([N+](=O)[O-])cc(Cl)c2=O)CC1 ZINC000272863891 210257552 /nfs/dbraw/zinc/25/75/52/210257552.db2.gz VBSDFGLEFNEDIP-UHFFFAOYSA-N 0 3 314.773 1.047 20 5 DDBDHN CN(CCCN1CCN(C)CC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000278524202 214211292 /nfs/dbraw/zinc/21/12/92/214211292.db2.gz CXOHXKLVYHOAIV-UHFFFAOYSA-N 0 3 324.400 1.803 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCOC1(C)C ZINC000451239990 231042834 /nfs/dbraw/zinc/04/28/34/231042834.db2.gz GFKIRIIIBBGTHD-GFCCVEGCSA-N 0 3 307.350 1.999 20 5 DDBDHN CN(CC(=O)N(C)[C@@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC000266333745 282339943 /nfs/dbraw/zinc/33/99/43/282339943.db2.gz WJELZZUJZGSIGL-CYBMUJFWSA-N 0 3 320.393 1.584 20 5 DDBDHN COC[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181878947 186214432 /nfs/dbraw/zinc/21/44/32/186214432.db2.gz SIPZURBNOKEKJI-KBPBESRZSA-N 0 3 324.377 1.693 20 5 DDBDHN CN1CCN(CCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000264264189 186332440 /nfs/dbraw/zinc/33/24/40/186332440.db2.gz JYRLDHQUUQARIH-UHFFFAOYSA-N 0 3 324.356 1.101 20 5 DDBDHN CNC(=O)[C@@]1(C)CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000281322773 186523828 /nfs/dbraw/zinc/52/38/28/186523828.db2.gz YECQAMMQYQKFMN-HNNXBMFYSA-N 0 3 307.350 1.561 20 5 DDBDHN Cc1cc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000564869562 304021272 /nfs/dbraw/zinc/02/12/72/304021272.db2.gz ZNRPGKIUDJOZKW-ZDUSSCGKSA-N 0 3 320.349 1.166 20 5 DDBDHN CC(=O)NC[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000067413287 353047614 /nfs/dbraw/zinc/04/76/14/353047614.db2.gz WBUCLYVHMDQEET-HNNXBMFYSA-N 0 3 305.378 1.985 20 5 DDBDHN CC[C@@H](CO)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075959401 353387819 /nfs/dbraw/zinc/38/78/19/353387819.db2.gz DUJONDRQRMQHOK-HNNXBMFYSA-N 0 3 307.394 1.526 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(Cc2ccccc2)C2CC2)c1 ZINC000174715832 198373682 /nfs/dbraw/zinc/37/36/82/198373682.db2.gz BTRPZOLFKTVCCP-INIZCTEOSA-N 0 3 316.361 1.817 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(NC2CCN([C@@H]3CCOC3)CC2)n1 ZINC000089603049 353776315 /nfs/dbraw/zinc/77/63/15/353776315.db2.gz CNFQMYSLADVUPL-CYBMUJFWSA-N 0 3 306.366 1.963 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C)[C@H](O)C1 ZINC000093343810 353897712 /nfs/dbraw/zinc/89/77/12/353897712.db2.gz KLMZZELQQXHDAC-SWLSCSKDSA-N 0 3 321.377 1.935 20 5 DDBDHN CN1CCC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000108342753 353951335 /nfs/dbraw/zinc/95/13/35/353951335.db2.gz GILLHDNGKFHMJM-LBPRGKRZSA-N 0 3 307.350 1.432 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000125058921 354044367 /nfs/dbraw/zinc/04/43/67/354044367.db2.gz KJFZNEVUXOQYTB-GHMZBOCLSA-N 0 3 313.379 1.451 20 5 DDBDHN Cn1c2cc(NC3CCN(C)CC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000587019705 354878459 /nfs/dbraw/zinc/87/84/59/354878459.db2.gz FROWLSZBOPKDGL-UHFFFAOYSA-N 0 3 319.365 1.291 20 5 DDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1COCCOC1 ZINC000589949702 355034494 /nfs/dbraw/zinc/03/44/94/355034494.db2.gz IUKYDKIXYKERFU-LLVKDONJSA-N 0 3 323.349 1.317 20 5 DDBDHN C[C@H](C(=O)N1CC[C@@H]2CN(C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000590045623 355043761 /nfs/dbraw/zinc/04/37/61/355043761.db2.gz SKKDWERJXVPTKH-NJZAAPMLSA-N 0 3 303.362 1.861 20 5 DDBDHN O=[N+]([O-])c1cncc(Cl)c1NC[C@H](O)CN1CCCCC1 ZINC000590573384 355117713 /nfs/dbraw/zinc/11/77/13/355117713.db2.gz YEJRSBDTYISLPG-JTQLQIEISA-N 0 3 314.773 1.324 20 5 DDBDHN CC1(C)CN[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000592028325 355470114 /nfs/dbraw/zinc/47/01/14/355470114.db2.gz YPOFDIBVEXILKO-AWEZNQCLSA-N 0 3 318.377 1.241 20 5 DDBDHN CC1(C)CN[C@@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000592144801 355510453 /nfs/dbraw/zinc/51/04/53/355510453.db2.gz IXTKPTLXCYDJJQ-ZWNOBZJWSA-N 0 3 319.365 1.001 20 5 DDBDHN CC(C)(CNCc1csc([N+](=O)[O-])c1)[C@@]1(O)CCOC1 ZINC000592375029 355569300 /nfs/dbraw/zinc/56/93/00/355569300.db2.gz PDXQICSCNNSOKD-CYBMUJFWSA-N 0 3 300.380 1.924 20 5 DDBDHN CCCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000592832113 355707067 /nfs/dbraw/zinc/70/70/67/355707067.db2.gz QGQURPPYGOWQDV-ZDUSSCGKSA-N 0 3 321.377 1.916 20 5 DDBDHN CN(C)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593448258 355888138 /nfs/dbraw/zinc/88/81/38/355888138.db2.gz LZUCCSOOGOIKPL-CYBMUJFWSA-N 0 3 309.341 1.829 20 5 DDBDHN CCC(C)(C)N1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000594083259 356107975 /nfs/dbraw/zinc/10/79/75/356107975.db2.gz WRJFRUBOOROTDA-UHFFFAOYSA-N 0 3 321.381 1.750 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](C)CN1CCOCC1 ZINC000595013722 356372208 /nfs/dbraw/zinc/37/22/08/356372208.db2.gz RVAXBQZSETVYCC-CHWSQXEVSA-N 0 3 323.393 1.975 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[C@@]1(O)CCOC1 ZINC000595048174 356376486 /nfs/dbraw/zinc/37/64/86/356376486.db2.gz VYDHPBPMIUOXEH-XHDPSFHLSA-N 0 3 310.350 1.796 20 5 DDBDHN Cc1ccc2c(c1)CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000595657527 356594728 /nfs/dbraw/zinc/59/47/28/356594728.db2.gz MKNGNUAQGDWKRP-INIZCTEOSA-N 0 3 316.361 1.519 20 5 DDBDHN COc1ccc(NC(=O)CN[C@H](CO)C2CCC2)c([N+](=O)[O-])c1 ZINC000595618638 356579743 /nfs/dbraw/zinc/57/97/43/356579743.db2.gz YZQAQGKALZWKNU-CYBMUJFWSA-N 0 3 323.349 1.293 20 5 DDBDHN C[C@H](O)[C@H]1CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595767447 356644295 /nfs/dbraw/zinc/64/42/95/356644295.db2.gz XKZTXERIGOUDCY-RWMBFGLXSA-N 0 3 310.350 1.180 20 5 DDBDHN O=C(CCN1CC[C@@]2(O)C[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595759606 356640631 /nfs/dbraw/zinc/64/06/31/356640631.db2.gz XSWGROGHVLQOOZ-XHDPSFHLSA-N 0 3 305.334 1.380 20 5 DDBDHN Cc1c(NC(=O)CCN2CC[C@@H](F)[C@H](N)C2)cccc1[N+](=O)[O-] ZINC000595906848 356700972 /nfs/dbraw/zinc/70/09/72/356700972.db2.gz OISAGILRIMBPST-VXGBXAGGSA-N 0 3 324.356 1.603 20 5 DDBDHN N[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1F ZINC000595948265 356718241 /nfs/dbraw/zinc/71/82/41/356718241.db2.gz QAORNSSTIZOKPT-NXEZZACHSA-N 0 3 301.705 1.760 20 5 DDBDHN CCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CCN(CC)C1 ZINC000598042773 357439445 /nfs/dbraw/zinc/43/94/45/357439445.db2.gz YATPBODSMDUCKK-LLVKDONJSA-N 0 3 306.366 1.733 20 5 DDBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000598261048 357511359 /nfs/dbraw/zinc/51/13/59/357511359.db2.gz DBENCIAMFDAXNT-LLVKDONJSA-N 0 3 309.370 1.179 20 5 DDBDHN CC(C)C[C@](C)(CN)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598914356 357757047 /nfs/dbraw/zinc/75/70/47/357757047.db2.gz BCMNQSLRBHJOOS-OAHLLOKOSA-N 0 3 322.365 1.413 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](O)[C@H]1CCCO1 ZINC000599067277 357806927 /nfs/dbraw/zinc/80/69/27/357806927.db2.gz YRUNIZCAOYPHDX-ZLKJLUDKSA-N 0 3 310.350 1.794 20 5 DDBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2COCCN2)c1 ZINC000600677248 358280363 /nfs/dbraw/zinc/28/03/63/358280363.db2.gz CWZAPKYVJPKINT-SNVBAGLBSA-N 0 3 317.292 1.274 20 5 DDBDHN CCN1CCN([C@@H](C)CNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601105311 358403608 /nfs/dbraw/zinc/40/36/08/358403608.db2.gz ZJGFONCONZHBPS-NSHDSACASA-N 0 3 311.361 1.567 20 5 DDBDHN COC(=O)[C@H]1CCCC[C@]1(C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602795106 359197386 /nfs/dbraw/zinc/19/73/86/359197386.db2.gz LIYBLNCIPSKAOQ-RISCZKNCSA-N 0 3 310.354 1.540 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000602795321 359198273 /nfs/dbraw/zinc/19/82/73/359198273.db2.gz HUHOLHMXOWNHJD-TZMCWYRMSA-N 0 3 318.381 1.879 20 5 DDBDHN CN(CCn1ccc(N)c([N+](=O)[O-])c1=O)Cc1ccccc1 ZINC000603419831 359629415 /nfs/dbraw/zinc/62/94/15/359629415.db2.gz AVPVZOHORCTNBO-UHFFFAOYSA-N 0 3 302.334 1.471 20 5 DDBDHN CN(C)C(C)(C)CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000281010677 216020672 /nfs/dbraw/zinc/02/06/72/216020672.db2.gz QVAXIURARKKSHG-UHFFFAOYSA-N 0 3 305.338 1.996 20 5 DDBDHN CC[C@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)N(C)C ZINC000188502316 200256973 /nfs/dbraw/zinc/25/69/73/200256973.db2.gz UFBHKMOMDQQITG-CQSZACIVSA-N 0 3 307.350 1.525 20 5 DDBDHN COCCN(CCn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000611185703 360653435 /nfs/dbraw/zinc/65/34/35/360653435.db2.gz OJDAFRHPBZXCPS-UHFFFAOYSA-N 0 3 309.366 1.648 20 5 DDBDHN CN(C)C[C@]1(O)CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000618923313 363802343 /nfs/dbraw/zinc/80/23/43/363802343.db2.gz DVHVKMDSEWHSOP-MRXNPFEDSA-N 0 3 321.377 1.052 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000618923769 363804011 /nfs/dbraw/zinc/80/40/11/363804011.db2.gz KZPWZJGQZXZVBP-MRXNPFEDSA-N 0 3 321.377 1.432 20 5 DDBDHN CC[C@H]1CN(C)CCCN1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000619578851 364070706 /nfs/dbraw/zinc/07/07/06/364070706.db2.gz SAORSRHOXZELHL-NSHDSACASA-N 0 3 309.370 1.193 20 5 DDBDHN Cc1c(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cnn1C ZINC000566111200 304119176 /nfs/dbraw/zinc/11/91/76/304119176.db2.gz ADYUSBKMKMCMPR-CQSZACIVSA-N 0 3 320.349 1.166 20 5 DDBDHN O=[N+]([O-])c1ccc(CNCCC2CCS(=O)(=O)CC2)cc1 ZINC000350744119 284252924 /nfs/dbraw/zinc/25/29/24/284252924.db2.gz IKHYGFROOIVMCI-UHFFFAOYSA-N 0 3 312.391 1.899 20 5 DDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H](N2CCCCC2)C1 ZINC000264659543 204060353 /nfs/dbraw/zinc/06/03/53/204060353.db2.gz YNARHBKMRQBJGD-ZDUSSCGKSA-N 0 3 321.381 1.268 20 5 DDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000288249808 220043241 /nfs/dbraw/zinc/04/32/41/220043241.db2.gz GASRUOKISFDXLR-NWDGAFQWSA-N 0 3 318.377 1.876 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCN(C)CC2)c1 ZINC000266012910 205026298 /nfs/dbraw/zinc/02/62/98/205026298.db2.gz IBYJCVBWDFYQOA-UHFFFAOYSA-N 0 3 320.393 1.271 20 5 DDBDHN CCc1n[nH]c(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288490008 220174858 /nfs/dbraw/zinc/17/48/58/220174858.db2.gz ROIRPQDEJWBKOD-QWRGUYRKSA-N 0 3 321.381 1.579 20 5 DDBDHN CC(C)Oc1nc(N2C[C@@H]3CCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000566747420 304178765 /nfs/dbraw/zinc/17/87/65/304178765.db2.gz IFBVRYVHSXXVMH-WCQYABFASA-N 0 3 306.366 1.917 20 5 DDBDHN Cc1c(CN2CCO[C@@H]3CCN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000284471389 218040587 /nfs/dbraw/zinc/04/05/87/218040587.db2.gz AGLHBCNXDNPPAF-JKSUJKDBSA-N 0 3 305.378 1.808 20 5 DDBDHN COc1ccc(CNC[C@H]2CN(C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000106470082 194218282 /nfs/dbraw/zinc/21/82/82/194218282.db2.gz FVXRIDJRRDJBIX-AWEZNQCLSA-N 0 3 321.377 1.556 20 5 DDBDHN CSc1ccc(C(=O)NC[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000110653769 194346989 /nfs/dbraw/zinc/34/69/89/194346989.db2.gz VGIDGPZWWIGNEB-SNVBAGLBSA-N 0 3 309.391 1.998 20 5 DDBDHN Cc1nn(C)c(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000341066156 251364609 /nfs/dbraw/zinc/36/46/09/251364609.db2.gz JNKQKMVXKGHYPJ-QWRGUYRKSA-N 0 3 323.397 1.629 20 5 DDBDHN Cc1c(NC(=O)[C@H](C)NCCn2cccn2)cccc1[N+](=O)[O-] ZINC000112548228 194483533 /nfs/dbraw/zinc/48/35/33/194483533.db2.gz ZPGRFFFZNMNZAL-LBPRGKRZSA-N 0 3 317.349 1.717 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C(C)C)N(C)C ZINC000269173841 207295405 /nfs/dbraw/zinc/29/54/05/207295405.db2.gz HXNUHVJGERPXEM-AWEZNQCLSA-N 0 3 309.366 1.806 20 5 DDBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc([S@](C)=O)cc1 ZINC000273021390 210401383 /nfs/dbraw/zinc/40/13/83/210401383.db2.gz SDAHYZZNKSPAQE-SAHAZLINSA-N 0 3 322.390 1.880 20 5 DDBDHN COC[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000452078492 533134240 /nfs/dbraw/zinc/13/42/40/533134240.db2.gz DPBIPMVMPCERNM-ZDUSSCGKSA-N 0 3 309.366 1.505 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C12CCCN1CCC2 ZINC000289591132 221088477 /nfs/dbraw/zinc/08/84/77/221088477.db2.gz NDLJCHFCJQYZIM-UHFFFAOYSA-N 0 3 319.361 1.848 20 5 DDBDHN O=C(CN[C@@H](CO)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000289597154 221093197 /nfs/dbraw/zinc/09/31/97/221093197.db2.gz RGRSBXDJZJVOSF-ZDUSSCGKSA-N 0 3 307.350 1.674 20 5 DDBDHN CCc1cnccc1[C@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361133265 299805351 /nfs/dbraw/zinc/80/53/51/299805351.db2.gz VYKSQWKOBJGQFY-SMDDNHRTSA-N 0 3 319.365 1.460 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCC[NH2+]1 ZINC000053254412 407165034 /nfs/dbraw/zinc/16/50/34/407165034.db2.gz WCBICELUQZQFPO-VIFPVBQESA-N 0 3 319.770 1.279 20 5 DDBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000055407960 407203182 /nfs/dbraw/zinc/20/31/82/407203182.db2.gz XOGZHPKFVRGPIG-NWDGAFQWSA-N 0 3 309.370 1.028 20 5 DDBDHN CN(CCN1CCCC1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000103118460 407331794 /nfs/dbraw/zinc/33/17/94/407331794.db2.gz DDFQHMWXOPINEH-UHFFFAOYSA-N 0 3 320.393 1.951 20 5 DDBDHN CCN(CC)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccco1 ZINC000122437393 407300898 /nfs/dbraw/zinc/30/08/98/407300898.db2.gz KLZKWGXSGNUWAT-JTQLQIEISA-N 0 3 321.337 1.724 20 5 DDBDHN CCN1CCC(N(C)C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000128076946 407494258 /nfs/dbraw/zinc/49/42/58/407494258.db2.gz SESDVIUTIBPWBF-UHFFFAOYSA-N 0 3 309.370 1.042 20 5 DDBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000129614222 407619075 /nfs/dbraw/zinc/61/90/75/407619075.db2.gz MIDXNFGOOPPLQI-VIFPVBQESA-N 0 3 315.757 1.693 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCn3ccnc3)C2)nc1 ZINC000131883847 407756082 /nfs/dbraw/zinc/75/60/82/407756082.db2.gz WXNDUIAWACCLGF-GFCCVEGCSA-N 0 3 302.338 1.373 20 5 DDBDHN CN(CCN(C)C1CC1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000186725914 407756961 /nfs/dbraw/zinc/75/69/61/407756961.db2.gz CDFAUYPTDDIWFH-UHFFFAOYSA-N 0 3 321.333 1.490 20 5 DDBDHN CN(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCSC1 ZINC000267085558 407741963 /nfs/dbraw/zinc/74/19/63/407741963.db2.gz HJWFBYNBZHXAHA-LBPRGKRZSA-N 0 3 315.420 1.823 20 5 DDBDHN CC(C)(NC(=O)CNC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000236660386 407742433 /nfs/dbraw/zinc/74/24/33/407742433.db2.gz PZHMXMZEQWWKSP-CQSZACIVSA-N 0 3 321.377 1.715 20 5 DDBDHN CN(C)CCN(C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272321045 407865434 /nfs/dbraw/zinc/86/54/34/407865434.db2.gz JSHSKCJQEPBDMC-UHFFFAOYSA-N 0 3 301.293 1.707 20 5 DDBDHN O=C(C[C@H]1CSCCN1)NCCc1ccccc1[N+](=O)[O-] ZINC000238087658 407885949 /nfs/dbraw/zinc/88/59/49/407885949.db2.gz FFWXUYXMLMOUTR-LBPRGKRZSA-N 0 3 309.391 1.349 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000268233461 407960684 /nfs/dbraw/zinc/96/06/84/407960684.db2.gz SPFXCJDDDMBGAL-FZMZJTMJSA-N 0 3 318.377 1.606 20 5 DDBDHN C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H](C)CN1 ZINC000272548235 407975427 /nfs/dbraw/zinc/97/54/27/407975427.db2.gz KLNPVQDSCIRHCM-VXGBXAGGSA-N 0 3 307.350 1.573 20 5 DDBDHN Cc1c(CN[C@H](CC(N)=O)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000181952675 408057092 /nfs/dbraw/zinc/05/70/92/408057092.db2.gz KZKLQXFHOUDSOW-CQSZACIVSA-N 0 3 321.377 1.663 20 5 DDBDHN CN(C)[C@@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000263961455 408329430 /nfs/dbraw/zinc/32/94/30/408329430.db2.gz AKPIKZDHQNECBE-LLVKDONJSA-N 0 3 302.334 1.852 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269333256 408274107 /nfs/dbraw/zinc/27/41/07/408274107.db2.gz AUCGKSRMPUCEEX-QWRGUYRKSA-N 0 3 323.397 1.900 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000246627074 408307405 /nfs/dbraw/zinc/30/74/05/408307405.db2.gz AQCXSAHEEAAVIC-KOLCDFICSA-N 0 3 322.287 1.427 20 5 DDBDHN COc1ccc(C(=O)N2CCC[C@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000263909279 408308892 /nfs/dbraw/zinc/30/88/92/408308892.db2.gz IYHNGKPUPVMERG-LBPRGKRZSA-N 0 3 307.350 1.770 20 5 DDBDHN CN(C)[C@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000170867473 162196797 /nfs/dbraw/zinc/19/67/97/162196797.db2.gz ICOINSSJNGBAEL-JTQLQIEISA-N 0 3 303.322 1.247 20 5 DDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2)C1 ZINC000173446211 162339225 /nfs/dbraw/zinc/33/92/25/162339225.db2.gz OPMLIPDBJWWVIX-OAHLLOKOSA-N 0 3 303.362 1.834 20 5 DDBDHN C[C@@H]1CC(O)C[C@@H](C)N1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000191190321 408383762 /nfs/dbraw/zinc/38/37/62/408383762.db2.gz ARTFGOJESFOSBV-BZPMIXESSA-N 0 3 324.377 1.568 20 5 DDBDHN COc1cc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177094036 408516606 /nfs/dbraw/zinc/51/66/06/408516606.db2.gz IWCMWSZXSGEZSB-CMPLNLGQSA-N 0 3 319.361 1.958 20 5 DDBDHN CCN(CCO)CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000183975307 408523508 /nfs/dbraw/zinc/52/35/08/408523508.db2.gz NJYIIIASKZCLQH-UHFFFAOYSA-N 0 3 315.757 1.292 20 5 DDBDHN CCN1CCN(CCNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265479331 408666652 /nfs/dbraw/zinc/66/66/52/408666652.db2.gz CFNQJBRIZBYCIN-UHFFFAOYSA-N 0 3 313.789 1.693 20 5 DDBDHN CN1CCC(Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000291697759 408908654 /nfs/dbraw/zinc/90/86/54/408908654.db2.gz UFAUCQFMBOPDFQ-UHFFFAOYSA-N 0 3 318.377 1.993 20 5 DDBDHN CN1CC[C@]2(CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000292058280 408971915 /nfs/dbraw/zinc/97/19/15/408971915.db2.gz APDXXZVHVVEUPZ-HNNXBMFYSA-N 0 3 307.325 1.902 20 5 DDBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287621575 409065277 /nfs/dbraw/zinc/06/52/77/409065277.db2.gz SZTKBZBOGTVSBK-UHFFFAOYSA-N 0 3 303.322 1.940 20 5 DDBDHN CC(C)N1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000283166131 409102144 /nfs/dbraw/zinc/10/21/44/409102144.db2.gz PEGKEUIDFWGQTA-JTQLQIEISA-N 0 3 324.356 1.919 20 5 DDBDHN Nc1ccc(N2CCN(C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000288346040 409162093 /nfs/dbraw/zinc/16/20/93/409162093.db2.gz JZNIDIORLSCCIH-UHFFFAOYSA-N 0 3 306.366 1.478 20 5 DDBDHN O=C(CN[C@@H]1CCC[C@@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000279262735 409180954 /nfs/dbraw/zinc/18/09/54/409180954.db2.gz MLRCYSRFSASAGU-VXGBXAGGSA-N 0 3 307.350 1.674 20 5 DDBDHN COCCOC[C@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000295194383 409367725 /nfs/dbraw/zinc/36/77/25/409367725.db2.gz LTQMLPHXCKJHAP-GFCCVEGCSA-N 0 3 312.366 1.443 20 5 DDBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295389149 409460620 /nfs/dbraw/zinc/46/06/20/409460620.db2.gz KZODMTYQMSYXRX-XHSDSOJGSA-N 0 3 321.377 1.033 20 5 DDBDHN COC(=O)COc1ccc(CN[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000342304966 409573671 /nfs/dbraw/zinc/57/36/71/409573671.db2.gz FXWIOZYJTRCKQC-LBPRGKRZSA-N 0 3 324.333 1.415 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2c2ccccc2)c1 ZINC000304339054 409609871 /nfs/dbraw/zinc/60/98/71/409609871.db2.gz PGALAKOWPHARFT-HZPDHXFCSA-N 0 3 316.361 1.989 20 5 DDBDHN Cn1cncc1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331668209 409750619 /nfs/dbraw/zinc/75/06/19/409750619.db2.gz UECADFFZUDNNAJ-QWHCGFSZSA-N 0 3 304.354 1.798 20 5 DDBDHN C[C@@H]1[C@@H](C)N(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000357005052 409785673 /nfs/dbraw/zinc/78/56/73/409785673.db2.gz QQQNWFUNWPLTET-UMVBOHGHSA-N 0 3 323.393 1.359 20 5 DDBDHN CCOC(=O)c1cc(C(=O)N[C@H](C)CN(C)C)cc([N+](=O)[O-])c1 ZINC000346136814 409809921 /nfs/dbraw/zinc/80/99/21/409809921.db2.gz LNIVXTCQCXZFKE-SNVBAGLBSA-N 0 3 323.349 1.451 20 5 DDBDHN COc1ccc(S(=O)(=O)[N-][C@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000320480627 409906367 /nfs/dbraw/zinc/90/63/67/409906367.db2.gz GUNPGORFOJFVGK-RKDXNWHRSA-N 0 3 317.367 1.008 20 5 DDBDHN CN(c1ncc([N+](=O)[O-])cc1Cl)C1CCN(CCO)CC1 ZINC000346405500 409955130 /nfs/dbraw/zinc/95/51/30/409955130.db2.gz IFYLWPQBJYVNQS-UHFFFAOYSA-N 0 3 314.773 1.536 20 5 DDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357526117 410085104 /nfs/dbraw/zinc/08/51/04/410085104.db2.gz DPOVCGGZMFRUEN-PWSUYJOCSA-N 0 3 319.365 1.152 20 5 DDBDHN C[C@H]1CCCN(CCNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000298691279 410351406 /nfs/dbraw/zinc/35/14/06/410351406.db2.gz CVJAFCSXMLHQPU-JTQLQIEISA-N 0 3 307.354 1.233 20 5 DDBDHN CCCN1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000343572768 410542578 /nfs/dbraw/zinc/54/25/78/410542578.db2.gz PIVGJHPBUVPUPD-CQSZACIVSA-N 0 3 321.377 1.964 20 5 DDBDHN Cc1nn(C)c(C(=O)Nc2ccc(CN(C)C)cc2)c1[N+](=O)[O-] ZINC000299175744 410555265 /nfs/dbraw/zinc/55/52/65/410555265.db2.gz XFOJDGSAFLKYQP-UHFFFAOYSA-N 0 3 317.349 1.951 20 5 DDBDHN Cn1nncc1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000352599014 410671327 /nfs/dbraw/zinc/67/13/27/410671327.db2.gz XDNONBZCJCEUSE-NWDGAFQWSA-N 0 3 305.342 1.193 20 5 DDBDHN COC(=O)c1cnc(N[C@H]2C[C@H](C)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000302750019 410857658 /nfs/dbraw/zinc/85/76/58/410857658.db2.gz GWKLHYSZFDCPBI-ONGXEEELSA-N 0 3 320.349 1.814 20 5 DDBDHN CC[C@H](Cn1cncn1)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353278731 410898337 /nfs/dbraw/zinc/89/83/37/410898337.db2.gz XIRZXHJSTQZFTC-GFCCVEGCSA-N 0 3 305.338 1.763 20 5 DDBDHN C[C@@H]1[C@@H](C(F)(F)F)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000348288526 410899092 /nfs/dbraw/zinc/89/90/92/410899092.db2.gz WMCXNNYDUBSTDS-MIMYLULJSA-N 0 3 322.287 1.425 20 5 DDBDHN C[C@@H]1[C@@H](C(F)(F)F)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000348288525 410900644 /nfs/dbraw/zinc/90/06/44/410900644.db2.gz WMCXNNYDUBSTDS-IEBDPFPHSA-N 0 3 322.287 1.425 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000356293976 410950924 /nfs/dbraw/zinc/95/09/24/410950924.db2.gz ITYNTFMXJRTQDJ-INIZCTEOSA-N 0 3 318.377 1.856 20 5 DDBDHN Cc1cc(N2CCCN([C@H](C)CO)CC2)c(F)cc1[N+](=O)[O-] ZINC000360054358 411023196 /nfs/dbraw/zinc/02/31/96/411023196.db2.gz SVEKSMPTHXNQPY-GFCCVEGCSA-N 0 3 311.357 1.935 20 5 DDBDHN CO[C@@H]1[C@H](C)[C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000295936396 225395663 /nfs/dbraw/zinc/39/56/63/225395663.db2.gz IPFBYSKMJQZSTP-OWYVNGRQSA-N 0 3 321.377 1.843 20 5 DDBDHN C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCN1CCO ZINC000190240515 222071534 /nfs/dbraw/zinc/07/15/34/222071534.db2.gz FYAIIRXUAMBPQI-YVARQFDVSA-N 0 3 305.378 1.606 20 5 DDBDHN CCN1CCN(C[C@H](C)CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000195509809 222204166 /nfs/dbraw/zinc/20/41/66/222204166.db2.gz PCUFFKHEAXZSJI-LLVKDONJSA-N 0 3 313.427 1.737 20 5 DDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000375068864 418598947 /nfs/dbraw/zinc/59/89/47/418598947.db2.gz PSWWBSSWWJLRDV-CYBMUJFWSA-N 0 3 318.377 1.877 20 5 DDBDHN NC(=O)c1ccc(CNC2(C3CC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000375703641 418674754 /nfs/dbraw/zinc/67/47/54/418674754.db2.gz YAHFLQOXZHMYEA-UHFFFAOYSA-N 0 3 319.361 1.743 20 5 DDBDHN CC(C)OC[C@@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365890186 418920467 /nfs/dbraw/zinc/92/04/67/418920467.db2.gz ZLAJYLUMYXUUPE-ZDUSSCGKSA-N 0 3 312.370 1.214 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]1CCO ZINC000426230005 419411608 /nfs/dbraw/zinc/41/16/08/419411608.db2.gz JTHPGXCFCIDNLL-CHWSQXEVSA-N 0 3 310.350 1.181 20 5 DDBDHN O=C(COC1CNC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423719674 420140936 /nfs/dbraw/zinc/14/09/36/420140936.db2.gz FZJDAFLDFUQYID-UHFFFAOYSA-N 0 3 305.334 1.074 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H](CO)C1CCOCC1 ZINC000430207141 420091044 /nfs/dbraw/zinc/09/10/44/420091044.db2.gz QFHQBMJUDVUHHO-AWEZNQCLSA-N 0 3 310.350 1.481 20 5 DDBDHN NC1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCCCC1 ZINC000423823037 420209360 /nfs/dbraw/zinc/20/93/60/420209360.db2.gz HAXCYROPAKIZHS-UHFFFAOYSA-N 0 3 304.350 1.536 20 5 DDBDHN C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)N1CCO ZINC000450790781 420532706 /nfs/dbraw/zinc/53/27/06/420532706.db2.gz HKHFICXGMZFXTI-PHIMTYICSA-N 0 3 319.365 1.362 20 5 DDBDHN C[C@@H]1NCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000417766919 420472931 /nfs/dbraw/zinc/47/29/31/420472931.db2.gz PTUUTVIRGRDDJW-RYUDHWBXSA-N 0 3 306.366 1.529 20 5 DDBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000447994167 420831340 /nfs/dbraw/zinc/83/13/40/420831340.db2.gz TTWINYWTFATHKT-ZDUSSCGKSA-N 0 3 321.381 1.654 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCC[C@@]1(C)CO ZINC000493390961 420836675 /nfs/dbraw/zinc/83/66/75/420836675.db2.gz VMZLMBQUUONHEZ-ZBFHGGJFSA-N 0 3 321.377 1.982 20 5 DDBDHN CNc1nc(C(=O)N2CCC[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000455366546 421003139 /nfs/dbraw/zinc/00/31/39/421003139.db2.gz MKQNLBCBQZBOTA-SNVBAGLBSA-N 0 3 307.354 1.198 20 5 DDBDHN C[C@@H]1CCN(CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000524775240 421271590 /nfs/dbraw/zinc/27/15/90/421271590.db2.gz AVQPTVZHVZSXRG-SNVBAGLBSA-N 0 3 317.349 1.543 20 5 DDBDHN CC(C)CN(C(=O)c1c[nH]nc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000547764300 421364703 /nfs/dbraw/zinc/36/47/03/421364703.db2.gz BUNJPIXDLKQHJP-UHFFFAOYSA-N 0 3 309.370 1.510 20 5 DDBDHN CC(COC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000497207501 421386345 /nfs/dbraw/zinc/38/63/45/421386345.db2.gz HOGKVDNZZSRZNF-AEJSXWLSSA-N 0 3 304.343 1.744 20 5 DDBDHN Cc1cc(OCC(=O)N2C[C@H]3CCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000574643732 422150465 /nfs/dbraw/zinc/15/04/65/422150465.db2.gz HWIWDHLLIUFLHH-DOMZBBRYSA-N 0 3 319.361 1.445 20 5 DDBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CCN(C2CCC2)C1 ZINC000344696847 272093222 /nfs/dbraw/zinc/09/32/22/272093222.db2.gz HRXQGDQDDHDJHR-NSHDSACASA-N 0 3 321.381 1.275 20 5 DDBDHN C[C@H](CN1CCCCC1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301929022 279303816 /nfs/dbraw/zinc/30/38/16/279303816.db2.gz NPLBQHJIABNGOT-LLVKDONJSA-N 0 3 304.354 1.924 20 5 DDBDHN C[C@]1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCCCN1 ZINC000237758043 280147382 /nfs/dbraw/zinc/14/73/82/280147382.db2.gz KYMMVXWJMFYCOK-OAHLLOKOSA-N 0 3 306.366 1.655 20 5 DDBDHN O=C(CCN1CCN(C2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000126076783 281225626 /nfs/dbraw/zinc/22/56/26/281225626.db2.gz MTTQVBFXVFYYIK-UHFFFAOYSA-N 0 3 318.377 1.703 20 5 DDBDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000128404602 281310340 /nfs/dbraw/zinc/31/03/40/281310340.db2.gz VRVFGXSYFFRFQA-LBPRGKRZSA-N 0 3 323.397 1.569 20 5 DDBDHN CCN(CC)CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135537199 281595525 /nfs/dbraw/zinc/59/55/25/281595525.db2.gz MXKWPCZGFMUDBT-LBPRGKRZSA-N 0 3 321.381 1.344 20 5 DDBDHN CN1CCC[C@H](N2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)C1 ZINC000376176626 302045946 /nfs/dbraw/zinc/04/59/46/302045946.db2.gz YCGNTZGDKWVNME-AWEZNQCLSA-N 0 3 319.409 1.393 20 5 DDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000517873591 302819810 /nfs/dbraw/zinc/81/98/10/302819810.db2.gz GGGRRKYCMSRPRQ-ZDUSSCGKSA-N 0 3 324.381 1.116 20 5 DDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357526126 306891673 /nfs/dbraw/zinc/89/16/73/306891673.db2.gz DPOVCGGZMFRUEN-ZYHUDNBSSA-N 0 3 319.365 1.152 20 5 DDBDHN COC(=O)C[C@]1(NCCc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000362260569 307015797 /nfs/dbraw/zinc/01/57/97/307015797.db2.gz ADEHAGILIGGLGR-OAHLLOKOSA-N 0 3 308.334 1.449 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCN3CCOCC3)C2)cc1 ZINC000364910979 307053803 /nfs/dbraw/zinc/05/38/03/307053803.db2.gz UMYSRMDQMIIRRT-OAHLLOKOSA-N 0 3 320.393 1.413 20 5 DDBDHN CCc1nn(C)c(N2C[C@@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000367750217 307103661 /nfs/dbraw/zinc/10/36/61/307103661.db2.gz ZWOQKBYIZDPVRL-RYUDHWBXSA-N 0 3 307.398 1.954 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC([C@@H]2CCOC2)C1 ZINC000373633736 307193100 /nfs/dbraw/zinc/19/31/00/307193100.db2.gz BWLFPKJQOWIUND-OCCSQVGLSA-N 0 3 322.361 1.303 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC23CCN(C)CC3)n1 ZINC000569185326 308135829 /nfs/dbraw/zinc/13/58/29/308135829.db2.gz CJVIDCZUKPTYFG-UHFFFAOYSA-N 0 3 321.381 1.512 20 5 DDBDHN CC[C@H]1CN(C)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000575384153 308276078 /nfs/dbraw/zinc/27/60/78/308276078.db2.gz GMFYCFXZOOUOFS-ZDUSSCGKSA-N 0 3 320.393 1.949 20 5 DDBDHN O=[N+]([O-])c1ccc2[nH]c(NCCCN3CCC(O)CC3)nc2c1 ZINC000294802848 534883727 /nfs/dbraw/zinc/88/37/27/534883727.db2.gz CIEWMJZSEHSSNQ-UHFFFAOYSA-N 0 3 319.365 1.730 20 5 DDBDHN CC(C)(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000305774819 527293695 /nfs/dbraw/zinc/29/36/95/527293695.db2.gz MUOVQMAYKBPDPA-CQSZACIVSA-N 0 3 322.340 1.816 20 5 DDBDHN CCOC(=O)[C@@H]1NCC[C@@H]1NCCc1cccc([N+](=O)[O-])c1 ZINC000423016981 527896884 /nfs/dbraw/zinc/89/68/84/527896884.db2.gz VFECZVZDHGWIMH-UONOGXRCSA-N 0 3 307.350 1.021 20 5 DDBDHN CCN(CC(C)(C)O)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000305721687 527954710 /nfs/dbraw/zinc/95/47/10/527954710.db2.gz ILSWDPWLMXLFFI-CQSZACIVSA-N 0 3 321.377 1.793 20 5 DDBDHN CC[C@@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736328796 598500407 /nfs/dbraw/zinc/50/04/07/598500407.db2.gz YQWQMIRDBOXPPV-SECBINFHSA-N 0 3 320.357 1.312 20 5 DDBDHN CC[C@@H](C)[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736328796 598500409 /nfs/dbraw/zinc/50/04/09/598500409.db2.gz YQWQMIRDBOXPPV-SECBINFHSA-N 0 3 320.357 1.312 20 5 DDBDHN CC[C@@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736328796 598500411 /nfs/dbraw/zinc/50/04/11/598500411.db2.gz YQWQMIRDBOXPPV-SECBINFHSA-N 0 3 320.357 1.312 20 5 DDBDHN CC[C@@H](C)[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736328796 598500413 /nfs/dbraw/zinc/50/04/13/598500413.db2.gz YQWQMIRDBOXPPV-SECBINFHSA-N 0 3 320.357 1.312 20 5 DDBDHN CC[N@@H+]1C[C@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821241150 606731309 /nfs/dbraw/zinc/73/13/09/606731309.db2.gz KGNQDKJJBORQJO-JOYOIKCWSA-N 0 3 317.353 1.527 20 5 DDBDHN CC[N@H+]1C[C@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821241150 606731311 /nfs/dbraw/zinc/73/13/11/606731311.db2.gz KGNQDKJJBORQJO-JOYOIKCWSA-N 0 3 317.353 1.527 20 5 DDBDHN C[C@H](NCCOCCS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000178658825 697427102 /nfs/dbraw/zinc/42/71/02/697427102.db2.gz XZISPNLMESUSET-NSHDSACASA-N 0 3 316.379 1.307 20 5 DDBDHN C[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788665591 699332489 /nfs/dbraw/zinc/33/24/89/699332489.db2.gz PBVIHWKOZYBSKX-BQSGVUBFSA-N 0 3 318.377 1.837 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@H]1C ZINC000742237815 699868660 /nfs/dbraw/zinc/86/86/60/699868660.db2.gz PWVYBDFHSCSTBJ-LLVKDONJSA-N 0 3 307.350 1.818 20 5 DDBDHN COC(=O)/C=C\c1ccc(N[C@@H](CO)CN(C)C)c([N+](=O)[O-])c1 ZINC000809341507 701659479 /nfs/dbraw/zinc/65/94/79/701659479.db2.gz SDYCSOQEHRRZKC-SMYYYNMVSA-N 0 3 323.349 1.115 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](CO)C1CC1 ZINC000763064214 700923514 /nfs/dbraw/zinc/92/35/14/700923514.db2.gz DTFUYKOBNATIQN-NOZJJQNGSA-N 0 3 323.349 1.291 20 5 DDBDHN CCN1CCN([C@@H](C)CNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804348633 701181228 /nfs/dbraw/zinc/18/12/28/701181228.db2.gz CRIXYMCGXJWQIO-LBPRGKRZSA-N 0 3 307.398 1.615 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c(N)c([N+](=O)[O-])c1 ZINC000816949336 702233150 /nfs/dbraw/zinc/23/31/50/702233150.db2.gz TUIPTCMYZSUVIR-MFKMUULPSA-N 0 3 304.350 1.262 20 5 DDBDHN CC(COC(=O)c1cccc(OCC(F)(F)F)n1)[N+](=O)[O-] ZINC000813103435 702292099 /nfs/dbraw/zinc/29/20/99/702292099.db2.gz ALMAACGHQLCCSB-SSDOTTSWSA-N 0 3 308.212 1.845 20 5 DDBDHN CC(COC(=O)c1cc(N2CCCC2=O)ccc1F)[N+](=O)[O-] ZINC000813104198 702292313 /nfs/dbraw/zinc/29/23/13/702292313.db2.gz XXHTUBDWTSCAHF-VIFPVBQESA-N 0 3 310.281 1.775 20 5 DDBDHN CC(COC(=O)C(C)(C)N1C(=O)c2ccccc2C1=O)[N+](=O)[O-] ZINC000813107587 702294337 /nfs/dbraw/zinc/29/43/37/702294337.db2.gz ORDZULWVWVUUMD-VIFPVBQESA-N 0 3 320.301 1.270 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccccc2CO)cc1 ZINC000843069733 702812965 /nfs/dbraw/zinc/81/29/65/702812965.db2.gz RBBZSDFEOSTHTB-INIZCTEOSA-N 0 3 302.330 1.910 20 5 DDBDHN Cc1ccc(-c2noc(C[C@H]3CNCCO3)n2)cc1[N+](=O)[O-] ZINC000843178438 702834518 /nfs/dbraw/zinc/83/45/18/702834518.db2.gz DADPPTXMJNPCEE-NSHDSACASA-N 0 3 304.306 1.484 20 5 DDBDHN CC(C)(C)N1CC[C@H]1COC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000845741124 703195798 /nfs/dbraw/zinc/19/57/98/703195798.db2.gz RXVFZFAGAJTKQP-NSHDSACASA-N 0 3 310.354 1.597 20 5 DDBDHN CN(CCN1CCCCC1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846612479 703303685 /nfs/dbraw/zinc/30/36/85/703303685.db2.gz VOGBHZOLEKMDMJ-OAHLLOKOSA-N 0 3 321.377 1.573 20 5 DDBDHN Cn1cc([C@H](O)CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000848527951 703561249 /nfs/dbraw/zinc/56/12/49/703561249.db2.gz AUEMPUAATBJHMB-DZGCQCFKSA-N 0 3 302.334 1.639 20 5 DDBDHN CC(C)(C)[S@@](=O)CCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819054794 704060683 /nfs/dbraw/zinc/06/06/83/704060683.db2.gz BOZXSKLQZYREFA-ZSEKCTLFSA-N 0 3 314.407 1.765 20 5 DDBDHN CN(CC1CN(C)C1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000853553245 704267298 /nfs/dbraw/zinc/26/72/98/704267298.db2.gz LPRKALQKLOFHMC-UHFFFAOYSA-N 0 3 316.365 1.304 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874827079 705185461 /nfs/dbraw/zinc/18/54/61/705185461.db2.gz AXDOFSOVTYSJAD-ZIAGYGMSSA-N 0 3 319.361 1.912 20 5 DDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000874828754 705187382 /nfs/dbraw/zinc/18/73/82/705187382.db2.gz HTYIKJFPUPURPI-STQMWFEESA-N 0 3 322.340 1.625 20 5 DDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000874828752 705187450 /nfs/dbraw/zinc/18/74/50/705187450.db2.gz HTYIKJFPUPURPI-QWHCGFSZSA-N 0 3 322.340 1.625 20 5 DDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000874850084 705202983 /nfs/dbraw/zinc/20/29/83/705202983.db2.gz NUJBKPZLAIGDOE-OLZOCXBDSA-N 0 3 304.350 1.486 20 5 DDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ccc([N+](=O)[O-])cc1F ZINC000826677110 705843190 /nfs/dbraw/zinc/84/31/90/705843190.db2.gz IROUMKXSQYYWQK-SNVBAGLBSA-N 0 3 310.329 1.290 20 5 DDBDHN COc1ncccc1CNC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876925516 705926384 /nfs/dbraw/zinc/92/63/84/705926384.db2.gz JOADHKKZCXCSOU-UHFFFAOYSA-N 0 3 303.322 1.688 20 5 DDBDHN CCN1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910269078 709853348 /nfs/dbraw/zinc/85/33/48/709853348.db2.gz DSOGJLVYQBLFKU-DOMZBBRYSA-N 0 3 321.377 1.571 20 5 DDBDHN COc1cc([C@@H](C)N[C@H](C)Cn2cncn2)cc([N+](=O)[O-])c1 ZINC000903083152 711027038 /nfs/dbraw/zinc/02/70/38/711027038.db2.gz AEVWOLKCTHSYRO-GHMZBOCLSA-N 0 3 305.338 1.934 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCO[C@@H]3CCOC3)C2)nc1 ZINC000929988907 713730075 /nfs/dbraw/zinc/73/00/75/713730075.db2.gz OOYWMASFHLUNNZ-GXTWGEPZSA-N 0 3 322.365 1.282 20 5 DDBDHN COc1ccc(NC(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000930770128 713915990 /nfs/dbraw/zinc/91/59/90/713915990.db2.gz VUFUOCDWENYWIM-GWCFXTLKSA-N 0 3 320.349 1.771 20 5 DDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924528852 714604954 /nfs/dbraw/zinc/60/49/54/714604954.db2.gz JXSAHGVFMDWRHL-KOLCDFICSA-N 0 3 306.322 1.138 20 5 DDBDHN Cc1cn(C)nc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126948849 742988436 /nfs/dbraw/zinc/98/84/36/742988436.db2.gz JLWJKZJYZWKEJB-UHFFFAOYSA-N 0 3 317.349 1.156 20 5 DDBDHN Cc1ncc(CN2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001002783480 743425081 /nfs/dbraw/zinc/42/50/81/743425081.db2.gz TYGHTTOVMWGGMR-CHWSQXEVSA-N 0 3 324.406 1.197 20 5 DDBDHN O=C(CN1CCCC1)NC/C=C\CNc1ccc([N+](=O)[O-])cc1 ZINC001107200293 749570356 /nfs/dbraw/zinc/57/03/56/749570356.db2.gz ITPAEVCLFCRKNC-UPHRSURJSA-N 0 3 318.377 1.775 20 5 DDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(CCc3ccccn3)CC2)C1 ZINC001169027421 762183460 /nfs/dbraw/zinc/18/34/60/762183460.db2.gz PKSRSXRYQWTLNO-RDJZCZTQSA-N 0 3 318.421 1.687 20 5 DDBDHN CC(C)c1ocnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020138842 760613041 /nfs/dbraw/zinc/61/30/41/760613041.db2.gz DEMQSTDHLRWXOH-PRULPYPASA-N 0 3 322.365 1.200 20 5 DDBDHN CCCN(C)CC(=O)NCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001093787420 775078142 /nfs/dbraw/zinc/07/81/42/775078142.db2.gz CBCXAVPCXYAGOB-UHFFFAOYSA-N 0 3 309.370 1.168 20 5 DDBDHN COCCN1CCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173220665 777053537 /nfs/dbraw/zinc/05/35/37/777053537.db2.gz BTJQXFVHDRBTEV-AWEZNQCLSA-N 0 3 307.394 1.790 20 5 DDBDHN CN1C[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001178709318 779154459 /nfs/dbraw/zinc/15/44/59/779154459.db2.gz MDOBQLYLOGHHHL-ZDUSSCGKSA-N 0 3 309.341 1.733 20 5 DDBDHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)c1cnon1 ZINC001268889414 840950721 /nfs/dbraw/zinc/95/07/21/840950721.db2.gz MXNMPLRIVRIPNG-UHFFFAOYSA-N 0 3 319.321 1.230 20 5 DDBDHN O=C(Cn1cccn1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001154607660 861272435 /nfs/dbraw/zinc/27/24/35/861272435.db2.gz BCKYRPNXTOJHQX-UHFFFAOYSA-N 0 3 317.349 1.087 20 5 DDBDHN NCc1ccnn1-c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001155125484 861757497 /nfs/dbraw/zinc/75/74/97/861757497.db2.gz PKEGWAQGEGVEGF-UHFFFAOYSA-N 0 3 304.697 1.836 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CCC1CCC1 ZINC001156307980 862924233 /nfs/dbraw/zinc/92/42/33/862924233.db2.gz HDJIDXGFMHZQOW-UHFFFAOYSA-N 0 3 323.397 1.505 20 5 DDBDHN CCN1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C(C)(C)C1 ZINC001156827367 863372377 /nfs/dbraw/zinc/37/23/77/863372377.db2.gz CCFZCYYAUYSMGK-GFCCVEGCSA-N 0 3 324.356 1.776 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C1CC(C)(C)C1 ZINC001157413954 863801880 /nfs/dbraw/zinc/80/18/80/863801880.db2.gz DMZZCGWVQWHLLJ-UHFFFAOYSA-N 0 3 323.397 1.360 20 5 DDBDHN C[C@H](Nc1ncc([N+](=O)[O-])c2ccccc21)[C@@H]1CNCCO1 ZINC001159497974 865351991 /nfs/dbraw/zinc/35/19/91/865351991.db2.gz PWVLVIOKFAXAHW-HZMBPMFUSA-N 0 3 302.334 1.932 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(OCC(N)=O)CC1 ZINC001323551028 866683028 /nfs/dbraw/zinc/68/30/28/866683028.db2.gz LGLHWRCZUHRYAE-GFCCVEGCSA-N 0 3 321.377 1.931 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1NCc1cn3cccnc3n1)CNC2 ZINC001161904942 867087683 /nfs/dbraw/zinc/08/76/83/867087683.db2.gz YAXNNDGGUGHIKZ-UHFFFAOYSA-N 0 3 310.317 1.853 20 5 DDBDHN CC(=O)N1CCc2cc(-n3cnc(CN)c3)cc([N+](=O)[O-])c21 ZINC001162304864 867430562 /nfs/dbraw/zinc/43/05/62/867430562.db2.gz WKUJFOOWXCGRGO-UHFFFAOYSA-N 0 3 301.306 1.148 20 5 DDBDHN Cc1cnc(CNCC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001164490660 869230247 /nfs/dbraw/zinc/23/02/47/869230247.db2.gz QCBTVVGDAKUBAV-VXGBXAGGSA-N 0 3 322.365 1.024 20 5 DDBDHN CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001340877179 871404679 /nfs/dbraw/zinc/40/46/79/871404679.db2.gz CRXZWLLICMCJAS-SDDRHHMPSA-N 0 3 310.402 1.555 20 5 DDBDHN Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)OCC(C)[N+](=O)[O-])C2 ZINC001344996313 873213881 /nfs/dbraw/zinc/21/38/81/873213881.db2.gz DBGXKHLACGMXDR-ZUZCIYMTSA-N 0 3 307.302 1.675 20 5 DDBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCC[C@@]1(O)CCOC1 ZINC000404214105 877009587 /nfs/dbraw/zinc/00/95/87/877009587.db2.gz RYNCRIKVCXINGH-CYBMUJFWSA-N 0 3 300.742 1.879 20 5 DDBDHN COC(=O)c1c(CO[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC001223292873 880909345 /nfs/dbraw/zinc/90/93/45/880909345.db2.gz BEYTXJHGYXPQCT-LBPRGKRZSA-N 0 3 308.334 1.992 20 5 DDBDHN C[C@@]1(N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCS(=O)(=O)C1 ZINC001254578809 896511782 /nfs/dbraw/zinc/51/17/82/896511782.db2.gz NWABGOASHSSOBA-TZMCWYRMSA-N 0 3 310.375 1.229 20 5 DDBDHN COCCn1cnc(CN[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254580052 896514209 /nfs/dbraw/zinc/51/42/09/896514209.db2.gz AFKAAUYJUNDIHQ-CQSZACIVSA-N 0 3 316.361 1.695 20 5 DDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1C1CC1 ZINC000278503522 214196449 /nfs/dbraw/zinc/19/64/49/214196449.db2.gz VVHBUINZYQHHKX-OAHLLOKOSA-N 0 3 303.362 1.880 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C(C)(C)C(N)=O ZINC000451138521 231017042 /nfs/dbraw/zinc/01/70/42/231017042.db2.gz ZMUFKIRGCSHSDZ-UHFFFAOYSA-N 0 3 322.365 1.428 20 5 DDBDHN COC(=O)N1CC(N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000181464657 199301302 /nfs/dbraw/zinc/30/13/02/199301302.db2.gz ZOIGPDPBIOYHFO-CQSZACIVSA-N 0 3 319.361 1.956 20 5 DDBDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1c([N+](=O)[O-])ncn1C ZINC000330663984 231978494 /nfs/dbraw/zinc/97/84/94/231978494.db2.gz FPKRQKBJCQYOQA-HZMBPMFUSA-N 0 3 310.354 1.540 20 5 DDBDHN CN(C)CC(C)(C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000457207184 232014777 /nfs/dbraw/zinc/01/47/77/232014777.db2.gz BCNHOBQQXCYDFW-UHFFFAOYSA-N 0 3 315.320 1.872 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000330897379 232145629 /nfs/dbraw/zinc/14/56/29/232145629.db2.gz HLLLYKIXJRLJSP-VXGBXAGGSA-N 0 3 307.350 1.573 20 5 DDBDHN CN(CCCN(C)C(=O)c1cc([N+](=O)[O-])n[nH]1)Cc1ccco1 ZINC000286837785 219190411 /nfs/dbraw/zinc/19/04/11/219190411.db2.gz XYCLGEQDXSBUFB-UHFFFAOYSA-N 0 3 321.337 1.505 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000358391862 299140330 /nfs/dbraw/zinc/14/03/30/299140330.db2.gz ITIQALUXLALPCD-CMPLNLGQSA-N 0 3 309.341 1.875 20 5 DDBDHN CN(CCn1cccn1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181868728 186212734 /nfs/dbraw/zinc/21/27/34/186212734.db2.gz AOPHEOIMUYJGTD-ZDUSSCGKSA-N 0 3 320.349 1.163 20 5 DDBDHN COCCN(C)CCCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000043149044 352362923 /nfs/dbraw/zinc/36/29/23/352362923.db2.gz VAROWPPOVPOZMM-UHFFFAOYSA-N 0 3 324.381 1.993 20 5 DDBDHN CNC(=O)c1ccc(NC2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000053555725 352660948 /nfs/dbraw/zinc/66/09/48/352660948.db2.gz PMOCFAISRDSYGN-UHFFFAOYSA-N 0 3 318.377 1.993 20 5 DDBDHN CN(C)[C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000068340850 353104676 /nfs/dbraw/zinc/10/46/76/353104676.db2.gz WZDOCGCBMSPXBI-CYBMUJFWSA-N 0 3 307.350 1.526 20 5 DDBDHN CN(C)C/C=C/C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000491861385 234317362 /nfs/dbraw/zinc/31/73/62/234317362.db2.gz AMLVKVMXTDCNHG-AAOUONPWSA-N 0 3 319.365 1.120 20 5 DDBDHN COCCOC[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000174104996 198292564 /nfs/dbraw/zinc/29/25/64/198292564.db2.gz MAQIPKSCXZQCPZ-CQSZACIVSA-N 0 3 324.377 1.959 20 5 DDBDHN COCCCN(C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000174189028 198303232 /nfs/dbraw/zinc/30/32/32/198303232.db2.gz FSFSBNGSGJHRBV-UHFFFAOYSA-N 0 3 324.381 1.993 20 5 DDBDHN CCN1CCN([C@@H](C)CNc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074740648 353327681 /nfs/dbraw/zinc/32/76/81/353327681.db2.gz DUXKJGBZLYVYDF-ZDUSSCGKSA-N 0 3 307.398 1.736 20 5 DDBDHN COCCCN1CCCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000080605773 353617789 /nfs/dbraw/zinc/61/77/89/353617789.db2.gz ZVFNSHYMZHDVCO-UHFFFAOYSA-N 0 3 308.382 1.847 20 5 DDBDHN O=[N+]([O-])c1cnc2ccc(N3CCN(CC4CC4)CC3)nn21 ZINC000158064934 354228377 /nfs/dbraw/zinc/22/83/77/354228377.db2.gz RAYXVUOKQUDXNV-UHFFFAOYSA-N 0 3 302.338 1.170 20 5 DDBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346192525 283017440 /nfs/dbraw/zinc/01/74/40/283017440.db2.gz NLMHDWPAINVCFG-HBNTYKKESA-N 0 3 307.354 1.120 20 5 DDBDHN C[C@@H](NC(=O)NC[C@]1(O)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358668487 299218171 /nfs/dbraw/zinc/21/81/71/299218171.db2.gz XNRIFYZIDPGCGH-IAQYHMDHSA-N 0 3 322.365 1.022 20 5 DDBDHN CN(C)C/C=C\C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000493786426 234932589 /nfs/dbraw/zinc/93/25/89/234932589.db2.gz IVBWLCIHWKDCQR-ARJAWSKDSA-N 0 3 307.354 1.073 20 5 DDBDHN CCN1C[C@H](C)N(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@H]1C ZINC000588009276 354893475 /nfs/dbraw/zinc/89/34/75/354893475.db2.gz DSMJUAXWGLCCQJ-MNOVXSKESA-N 0 3 308.382 1.588 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590044137 355042335 /nfs/dbraw/zinc/04/23/35/355042335.db2.gz HGHYQLITGDWLKP-YPMHNXCESA-N 0 3 305.334 1.136 20 5 DDBDHN O=C1NC2(CO1)CCN(CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000495291914 235158749 /nfs/dbraw/zinc/15/87/49/235158749.db2.gz NTILFCCKSBNZHC-UHFFFAOYSA-N 0 3 321.333 1.548 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CC[C@@H](CO)C1)OCCO2 ZINC000590656182 355139077 /nfs/dbraw/zinc/13/90/77/355139077.db2.gz MDMAXSVWPUWBKL-PWSUYJOCSA-N 0 3 308.334 1.617 20 5 DDBDHN COc1cc(C(=O)N2CCN[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000592243083 355546172 /nfs/dbraw/zinc/54/61/72/355546172.db2.gz ZVMJBXAMVXXLRF-GFCCVEGCSA-N 0 3 307.350 1.673 20 5 DDBDHN CCc1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000592998765 355765735 /nfs/dbraw/zinc/76/57/35/355765735.db2.gz VOJUBMWBSXHMAE-OAHLLOKOSA-N 0 3 304.350 1.504 20 5 DDBDHN C[C@@H](O)CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594055358 356101415 /nfs/dbraw/zinc/10/14/15/356101415.db2.gz KZDXKESHWMJTCX-BXUZGUMPSA-N 0 3 310.350 1.180 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594200385 356137915 /nfs/dbraw/zinc/13/79/15/356137915.db2.gz LRQWSSHZPJDCFR-OLZOCXBDSA-N 0 3 306.366 1.680 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594200417 356138361 /nfs/dbraw/zinc/13/83/61/356138361.db2.gz LVXPZTJKPOFQEM-NWDGAFQWSA-N 0 3 321.381 1.383 20 5 DDBDHN COCCN1CC[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595019557 356372823 /nfs/dbraw/zinc/37/28/23/356372823.db2.gz QXZWBVXBCNAQGA-STQMWFEESA-N 0 3 323.393 1.975 20 5 DDBDHN N[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595261361 356424676 /nfs/dbraw/zinc/42/46/76/356424676.db2.gz XXGDDFYDQRFSKI-VXGBXAGGSA-N 0 3 313.354 1.585 20 5 DDBDHN CCNC(=O)N1CC[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000565215525 304054177 /nfs/dbraw/zinc/05/41/77/304054177.db2.gz BDVNASIAICEPDM-BXUZGUMPSA-N 0 3 318.377 1.976 20 5 DDBDHN N[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595946232 356717211 /nfs/dbraw/zinc/71/72/11/356717211.db2.gz BYFIOTGROWKGPQ-ZIAGYGMSSA-N 0 3 324.356 1.685 20 5 DDBDHN CCn1nccc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000596070931 356761904 /nfs/dbraw/zinc/76/19/04/356761904.db2.gz VEJBZQXTKBQCKQ-CQSZACIVSA-N 0 3 320.349 1.341 20 5 DDBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H]1N(C)C ZINC000596176612 356803217 /nfs/dbraw/zinc/80/32/17/356803217.db2.gz CPMGULUYUJGDBS-CHWSQXEVSA-N 0 3 324.406 1.176 20 5 DDBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN(C2CC2)C1 ZINC000596255402 356834528 /nfs/dbraw/zinc/83/45/28/356834528.db2.gz OKKSUUPBOWELEO-LLVKDONJSA-N 0 3 318.377 1.614 20 5 DDBDHN COc1cc(OCC(=O)N2C[C@H](C)NC[C@H]2C)ccc1[N+](=O)[O-] ZINC000237226069 202195387 /nfs/dbraw/zinc/19/53/87/202195387.db2.gz JHRVOPLUIPHMGD-WDEREUQCSA-N 0 3 323.349 1.191 20 5 DDBDHN CCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CCN(CC)C1 ZINC000598042774 357439631 /nfs/dbraw/zinc/43/96/31/357439631.db2.gz YATPBODSMDUCKK-NSHDSACASA-N 0 3 306.366 1.733 20 5 DDBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000598266449 357514633 /nfs/dbraw/zinc/51/46/33/357514633.db2.gz YAGVEUSRBPJKGZ-LBPRGKRZSA-N 0 3 308.382 1.784 20 5 DDBDHN C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[NH2+]1 ZINC000599105760 357817320 /nfs/dbraw/zinc/81/73/20/357817320.db2.gz QBKRMRVODVZMOU-HTQZYQBOSA-N 0 3 305.381 1.075 20 5 DDBDHN COC(=O)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H]2CCC[C@H]21 ZINC000599661224 358013714 /nfs/dbraw/zinc/01/37/14/358013714.db2.gz TVCUSCRLCKCBBO-XQQFMLRXSA-N 0 3 322.365 1.455 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000600205853 358156586 /nfs/dbraw/zinc/15/65/86/358156586.db2.gz XVFBOIYKQLTNCQ-IYBDPMFKSA-N 0 3 308.378 1.716 20 5 DDBDHN C[C@@H](NS(=O)(=O)CCCN(C)C)c1ccccc1[N+](=O)[O-] ZINC000601387016 358529595 /nfs/dbraw/zinc/52/95/95/358529595.db2.gz LGSQRWVFSVBYHW-LLVKDONJSA-N 0 3 315.395 1.527 20 5 DDBDHN COC[C@]1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCCCN1 ZINC000602445471 358981321 /nfs/dbraw/zinc/98/13/21/358981321.db2.gz WCSMOZPTEPXAEM-INIZCTEOSA-N 0 3 321.377 1.712 20 5 DDBDHN CN1C[C@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)[C@H]2C1 ZINC000602673581 359118569 /nfs/dbraw/zinc/11/85/69/359118569.db2.gz WAVQSHPJGFRCTJ-MFKMUULPSA-N 0 3 302.334 1.872 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](Cc2cnn(C)c2)C1 ZINC000602778368 359185253 /nfs/dbraw/zinc/18/52/53/359185253.db2.gz AYXALHGQCISMIB-CYBMUJFWSA-N 0 3 318.381 1.398 20 5 DDBDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602839067 359229138 /nfs/dbraw/zinc/22/91/38/359229138.db2.gz HALNHDUFIDZKLD-NEPJUHHUSA-N 0 3 310.354 1.540 20 5 DDBDHN CCN(C(=O)Nc1c(C)cncc1[N+](=O)[O-])[C@H]1CCN(CC)C1 ZINC000602961630 359325031 /nfs/dbraw/zinc/32/50/31/359325031.db2.gz XZMKUTDSPXHDIS-LBPRGKRZSA-N 0 3 321.381 1.668 20 5 DDBDHN CN(CCN(C)C1CC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000186758478 200005268 /nfs/dbraw/zinc/00/52/68/200005268.db2.gz CMFKGAQTQTZNQR-HNNXBMFYSA-N 0 3 323.393 1.361 20 5 DDBDHN COC(=O)C1CCN(CCCNc2cccnc2[N+](=O)[O-])CC1 ZINC000603857714 359688001 /nfs/dbraw/zinc/68/80/01/359688001.db2.gz RUMPBORUFQZPJC-UHFFFAOYSA-N 0 3 322.365 1.677 20 5 DDBDHN CN(C)CC1(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCC1 ZINC000281118977 216091173 /nfs/dbraw/zinc/09/11/73/216091173.db2.gz SCCPXTISGZXLET-UHFFFAOYSA-N 0 3 322.321 1.717 20 5 DDBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(CC2CC2)C1 ZINC000609399730 360304648 /nfs/dbraw/zinc/30/46/48/360304648.db2.gz MLENLWSTPZLRND-CQSZACIVSA-N 0 3 318.377 1.878 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(CCO)CC2)c1 ZINC000609312330 360291698 /nfs/dbraw/zinc/29/16/98/360291698.db2.gz PBGIOXDMSBMEAY-HNNXBMFYSA-N 0 3 324.377 1.429 20 5 DDBDHN C[C@](O)(CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000609564547 360325598 /nfs/dbraw/zinc/32/55/98/360325598.db2.gz ZJKNKKJAHDVJMA-HNNXBMFYSA-N 0 3 308.334 1.617 20 5 DDBDHN CC[C@@H](CN1CCCC1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000611598464 360775110 /nfs/dbraw/zinc/77/51/10/360775110.db2.gz BBQREICVURZLOB-NSHDSACASA-N 0 3 307.354 1.408 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000292596647 223164862 /nfs/dbraw/zinc/16/48/62/223164862.db2.gz RIQXUGDPVHDKBY-HNNXBMFYSA-N 0 3 321.381 1.044 20 5 DDBDHN CO[C@H]1CCCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000275247722 212222333 /nfs/dbraw/zinc/22/23/33/212222333.db2.gz POHPZIQMRCCLIF-OCCSQVGLSA-N 0 3 307.350 1.741 20 5 DDBDHN C[C@H](Cn1cccn1)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264846014 204204751 /nfs/dbraw/zinc/20/47/51/204204751.db2.gz IDEXSSPUABKGQA-VXGBXAGGSA-N 0 3 317.349 1.797 20 5 DDBDHN NC(=O)[C@H](Cc1ccccc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000351343861 284320328 /nfs/dbraw/zinc/32/03/28/284320328.db2.gz UTZBGOWGJBUHSK-INIZCTEOSA-N 0 3 313.357 1.824 20 5 DDBDHN COc1ccc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000334042163 249190634 /nfs/dbraw/zinc/19/06/34/249190634.db2.gz GZFYJTBZHWJYGS-PWSUYJOCSA-N 0 3 307.350 1.816 20 5 DDBDHN CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[n-]1)c1ccco1 ZINC000285227374 218342392 /nfs/dbraw/zinc/34/23/92/218342392.db2.gz VILZJTYUMNOLSI-NSHDSACASA-N 0 3 321.337 1.724 20 5 DDBDHN CN1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000340745915 251189502 /nfs/dbraw/zinc/18/95/02/251189502.db2.gz SABCAHMFWCZGEE-JTQLQIEISA-N 0 3 320.378 1.684 20 5 DDBDHN C[C@H]1CN(C)C[C@H](C)N1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000270045775 208100460 /nfs/dbraw/zinc/10/04/60/208100460.db2.gz BLNUWMBCSQLXOE-UWVGGRQHSA-N 0 3 317.349 1.636 20 5 DDBDHN CC(C)(NCCn1ccc([N+](=O)[O-])n1)C(=O)NCC1CCCC1 ZINC000155197295 197031370 /nfs/dbraw/zinc/03/13/70/197031370.db2.gz MKIBLEWMMQFOLI-UHFFFAOYSA-N 0 3 323.397 1.466 20 5 DDBDHN CCCN1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000074290041 406908721 /nfs/dbraw/zinc/90/87/21/406908721.db2.gz RZEGDDBKIAYZDO-UHFFFAOYSA-N 0 3 320.393 1.951 20 5 DDBDHN COC(=O)[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000066832884 407260031 /nfs/dbraw/zinc/26/00/31/407260031.db2.gz JLMMPGPZUXHHML-GFCCVEGCSA-N 0 3 308.334 1.859 20 5 DDBDHN O=C(CNc1ccccc1[N+](=O)[O-])NCCN1CCCCC1 ZINC000065867510 407246109 /nfs/dbraw/zinc/24/61/09/407246109.db2.gz AMNFGIWPBQIMIZ-UHFFFAOYSA-N 0 3 306.366 1.609 20 5 DDBDHN C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCN1C ZINC000123247023 407323875 /nfs/dbraw/zinc/32/38/75/407323875.db2.gz WHTUENXVUYFUOZ-RYUDHWBXSA-N 0 3 323.397 1.468 20 5 DDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000126047937 407403588 /nfs/dbraw/zinc/40/35/88/407403588.db2.gz GDPPBWZYJCQJLZ-OCCSQVGLSA-N 0 3 320.393 1.805 20 5 DDBDHN COC[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000265762648 407442930 /nfs/dbraw/zinc/44/29/30/407442930.db2.gz HISXIZFDRNSJKR-TZMCWYRMSA-N 0 3 310.350 1.303 20 5 DDBDHN CN(C)CCN(Cc1ccco1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270971966 407446522 /nfs/dbraw/zinc/44/65/22/407446522.db2.gz TYCUNKXBPAPVIT-UHFFFAOYSA-N 0 3 321.337 1.125 20 5 DDBDHN C[C@H]1c2ccccc2CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266540034 407550940 /nfs/dbraw/zinc/55/09/40/407550940.db2.gz PRXSKKMKVQBXKL-SWLSCSKDSA-N 0 3 316.361 1.772 20 5 DDBDHN CCN(CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000152172120 407576778 /nfs/dbraw/zinc/57/67/78/407576778.db2.gz ZDWORJDQPBYLPR-UHFFFAOYSA-N 0 3 309.341 1.877 20 5 DDBDHN C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000114140988 407545211 /nfs/dbraw/zinc/54/52/11/407545211.db2.gz JXTPSNHKTDHTHQ-CYBMUJFWSA-N 0 3 320.393 1.208 20 5 DDBDHN Cc1cc(NCCS(C)(=O)=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000228484405 407645261 /nfs/dbraw/zinc/64/52/61/407645261.db2.gz RIKPFPLVGSQACU-UHFFFAOYSA-N 0 3 309.347 1.908 20 5 DDBDHN CC[C@@H](CO)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000186527495 407693046 /nfs/dbraw/zinc/69/30/46/407693046.db2.gz HZLZSBKYDJVYJE-ZDUSSCGKSA-N 0 3 304.350 1.856 20 5 DDBDHN O=[N+]([O-])c1cccc(N2CCN(CC3(O)CCOCC3)CC2)c1 ZINC000152961565 407726269 /nfs/dbraw/zinc/72/62/69/407726269.db2.gz YIRWUYOORLGPOT-UHFFFAOYSA-N 0 3 321.377 1.258 20 5 DDBDHN CCO[C@H]1C[C@](N)(C(=O)NCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000186716069 407752865 /nfs/dbraw/zinc/75/28/65/407752865.db2.gz DZXUCNXCRYHZGE-BBRMVZONSA-N 0 3 321.377 1.744 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN1CCCCCC1 ZINC000132548451 407791899 /nfs/dbraw/zinc/79/18/99/407791899.db2.gz YLHGIIWFFMVOLS-UHFFFAOYSA-N 0 3 323.397 1.482 20 5 DDBDHN COc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268242970 407965622 /nfs/dbraw/zinc/96/56/22/407965622.db2.gz VGABIQLVQBMZAW-MFKMUULPSA-N 0 3 319.361 1.816 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000268177658 407928655 /nfs/dbraw/zinc/92/86/55/407928655.db2.gz KWSHIZRJLPPIEF-XHDPSFHLSA-N 0 3 319.361 1.573 20 5 DDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(C2CCCCC2)CC1 ZINC000154417517 408032438 /nfs/dbraw/zinc/03/24/38/408032438.db2.gz QFMIOXAPAVDZHZ-UHFFFAOYSA-N 0 3 321.381 1.268 20 5 DDBDHN CC[C@@H](c1ccncc1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245714591 408048685 /nfs/dbraw/zinc/04/86/85/408048685.db2.gz PWTOXOXDNXDGBV-CABCVRRESA-N 0 3 319.365 1.630 20 5 DDBDHN CCCNC(=O)[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221223 408315645 /nfs/dbraw/zinc/31/56/45/408315645.db2.gz SHWWDMWFIMONNO-GFCCVEGCSA-N 0 3 309.370 1.030 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@]3(CCOC3)C2)c1 ZINC000246739043 408330047 /nfs/dbraw/zinc/33/00/47/408330047.db2.gz AWLGLJXJMURAHC-GOEBONIOSA-N 0 3 322.361 1.447 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]2CN(C)C)c1[N+](=O)[O-] ZINC000269445295 408313373 /nfs/dbraw/zinc/31/33/73/408313373.db2.gz QIKWCFCULXJNDL-SNVBAGLBSA-N 0 3 309.370 1.608 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2CN(C)C)c1[N+](=O)[O-] ZINC000269445295 408313378 /nfs/dbraw/zinc/31/33/78/408313378.db2.gz QIKWCFCULXJNDL-SNVBAGLBSA-N 0 3 309.370 1.608 20 5 DDBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@@H](O)CN1CCOCC1 ZINC000274244932 408340216 /nfs/dbraw/zinc/34/02/16/408340216.db2.gz SNWGRWSVIZJDAK-XJKSGUPXSA-N 0 3 323.393 1.281 20 5 DDBDHN CN(CCN(C)C1CC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000274548927 408445721 /nfs/dbraw/zinc/44/57/21/408445721.db2.gz WQFMCJIZVLXLEM-UHFFFAOYSA-N 0 3 320.393 1.873 20 5 DDBDHN Cc1cccc(C(=O)NC[C@H](O)CN2CCCCC2)c1[N+](=O)[O-] ZINC000160075947 408453617 /nfs/dbraw/zinc/45/36/17/408453617.db2.gz KABXYEWZQGAWLH-ZDUSSCGKSA-N 0 3 321.377 1.480 20 5 DDBDHN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCN2CCC[C@H]2C1 ZINC000264286479 408427775 /nfs/dbraw/zinc/42/77/75/408427775.db2.gz KTPNOWVTIIACPO-LBPRGKRZSA-N 0 3 314.345 1.996 20 5 DDBDHN COc1cc(C(=O)NC[C@@H]2CCCN(C)C2)cc([N+](=O)[O-])c1C ZINC000191482970 408431243 /nfs/dbraw/zinc/43/12/43/408431243.db2.gz BEMCXCLUPRJUKH-LBPRGKRZSA-N 0 3 321.377 1.983 20 5 DDBDHN C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)N1[C@H](C)CC[C@H]1C ZINC000247560924 408494136 /nfs/dbraw/zinc/49/41/36/408494136.db2.gz RUTCSOCQJFSGIP-IJLUTSLNSA-N 0 3 309.370 1.169 20 5 DDBDHN Cc1cc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000177170865 408542616 /nfs/dbraw/zinc/54/26/16/408542616.db2.gz KREAXUGTWZHSSU-GHMZBOCLSA-N 0 3 318.377 1.840 20 5 DDBDHN CCN(CCO)CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000184548209 408639586 /nfs/dbraw/zinc/63/95/86/408639586.db2.gz QEFMCFITFSTFMP-UHFFFAOYSA-N 0 3 301.774 1.652 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(CCO)C1CCC1 ZINC000275920613 408719222 /nfs/dbraw/zinc/71/92/22/408719222.db2.gz ZHBWHZMZGCSSFV-CYBMUJFWSA-N 0 3 310.350 1.181 20 5 DDBDHN CN(C(=O)CCOc1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000193457709 408721113 /nfs/dbraw/zinc/72/11/13/408721113.db2.gz JAIYMCQJSNVOOO-UHFFFAOYSA-N 0 3 321.377 1.916 20 5 DDBDHN CCN1CC[C@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])[C@H](C)C1 ZINC000290814700 408838040 /nfs/dbraw/zinc/83/80/40/408838040.db2.gz RQZRQIRZHWGZRH-PWSUYJOCSA-N 0 3 321.381 1.255 20 5 DDBDHN CN(C)[C@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000281097938 408872021 /nfs/dbraw/zinc/87/20/21/408872021.db2.gz DVWAWHJGXSFMPT-NSHDSACASA-N 0 3 317.349 1.774 20 5 DDBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H](c1ccccc1)N(C)C ZINC000285984755 408901547 /nfs/dbraw/zinc/90/15/47/408901547.db2.gz FZONWUZDTCOFLD-HZMBPMFUSA-N 0 3 317.349 1.739 20 5 DDBDHN O=[N+]([O-])c1cnc(NC2CCN(C[C@H]3CCOC3)CC2)s1 ZINC000192458819 163224280 /nfs/dbraw/zinc/22/42/80/163224280.db2.gz ORQHFUPWGFVSQU-SNVBAGLBSA-N 0 3 312.395 1.964 20 5 DDBDHN C[C@H](c1ccccc1)[C@H](NCCn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000292212652 409002376 /nfs/dbraw/zinc/00/23/76/409002376.db2.gz ONGKGDPNQNNWBJ-RISCZKNCSA-N 0 3 317.349 1.039 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000277638662 408982465 /nfs/dbraw/zinc/98/24/65/408982465.db2.gz TUHZCGDKHVQUOJ-YGRLFVJLSA-N 0 3 319.361 1.816 20 5 DDBDHN Cc1sc(C(=O)Nc2ccnn2CCN(C)C)cc1[N+](=O)[O-] ZINC000293923023 409206742 /nfs/dbraw/zinc/20/67/42/409206742.db2.gz BBSDBAHAPZJBCV-UHFFFAOYSA-N 0 3 323.378 1.975 20 5 DDBDHN COc1ccc(CNC[C@@H](CO)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280315854 409291357 /nfs/dbraw/zinc/29/13/57/409291357.db2.gz OUWUNENRQDNYLV-STQMWFEESA-N 0 3 310.350 1.338 20 5 DDBDHN CN(CCCN1CCOCC1)CCc1ccccc1[N+](=O)[O-] ZINC000285203258 409402873 /nfs/dbraw/zinc/40/28/73/409402873.db2.gz DCXRDXVZNIWGGI-UHFFFAOYSA-N 0 3 307.394 1.791 20 5 DDBDHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000408156402 164245362 /nfs/dbraw/zinc/24/53/62/164245362.db2.gz ZJLFGGFCYWXNAQ-RYUDHWBXSA-N 0 3 321.381 1.222 20 5 DDBDHN Cn1cc([C@H](NCCn2cc([N+](=O)[O-])cn2)C(C)(C)C)cn1 ZINC000342343177 409581093 /nfs/dbraw/zinc/58/10/93/409581093.db2.gz RRFGSZHBBKZVFU-ZDUSSCGKSA-N 0 3 306.370 1.902 20 5 DDBDHN C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@H]1C ZINC000343066372 410116325 /nfs/dbraw/zinc/11/63/25/410116325.db2.gz FKWORRPFEYYIDH-VXGBXAGGSA-N 0 3 309.370 1.170 20 5 DDBDHN C[C@H]1CCNC(=O)[C@@H]1NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298551620 410286006 /nfs/dbraw/zinc/28/60/06/410286006.db2.gz OFMXMHAFWFRBID-IINYFYTJSA-N 0 3 320.349 1.038 20 5 DDBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(OCCO)CC1 ZINC000339783385 410459823 /nfs/dbraw/zinc/45/98/23/410459823.db2.gz QZBKHYVXYZXACL-UHFFFAOYSA-N 0 3 310.350 1.447 20 5 DDBDHN COc1cc(C(=O)N[C@@H]2CCCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343462141 410471616 /nfs/dbraw/zinc/47/16/16/410471616.db2.gz SVSKYJSTVGPQLM-CMPLNLGQSA-N 0 3 307.350 1.816 20 5 DDBDHN CN1CC[C@@](O)(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000358295505 410441856 /nfs/dbraw/zinc/44/18/56/410441856.db2.gz BRBMLXOIMXDKGO-CYBMUJFWSA-N 0 3 317.292 1.675 20 5 DDBDHN CCCN1CCC[C@@H]1CNC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000343645196 410592333 /nfs/dbraw/zinc/59/23/33/410592333.db2.gz TVCUNPWHGGQQOE-LLVKDONJSA-N 0 3 309.370 1.415 20 5 DDBDHN CN1CCC[C@@H](N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000301301642 410696006 /nfs/dbraw/zinc/69/60/06/410696006.db2.gz RKKUVLFDLJKLEJ-CYBMUJFWSA-N 0 3 305.382 1.206 20 5 DDBDHN C[C@@H]1CN(C)[C@@H](C)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337310863 410707404 /nfs/dbraw/zinc/70/74/04/410707404.db2.gz BOQVATCONKFUIF-QWHCGFSZSA-N 0 3 320.393 1.948 20 5 DDBDHN CC[C@@H](C)N[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccco1 ZINC000359533381 410714960 /nfs/dbraw/zinc/71/49/60/410714960.db2.gz AFCSYKBEFBUAQV-NXEZZACHSA-N 0 3 321.337 1.770 20 5 DDBDHN CC[C@@H](C)N[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccco1 ZINC000359533381 410714967 /nfs/dbraw/zinc/71/49/67/410714967.db2.gz AFCSYKBEFBUAQV-NXEZZACHSA-N 0 3 321.337 1.770 20 5 DDBDHN C[C@H]1[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343851573 410748328 /nfs/dbraw/zinc/74/83/28/410748328.db2.gz DMPRQEQLFFAHNJ-GXTWGEPZSA-N 0 3 320.393 1.919 20 5 DDBDHN COc1c(C(=O)N2CCC[C@@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000331050556 410918930 /nfs/dbraw/zinc/91/89/30/410918930.db2.gz ICCAPDNXUJBVGD-LLVKDONJSA-N 0 3 307.350 1.770 20 5 DDBDHN CCc1n[nH]c(C(=O)NCCN2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000331300874 411066168 /nfs/dbraw/zinc/06/61/68/411066168.db2.gz QZAUCAPYJLHYBQ-UHFFFAOYSA-N 0 3 323.397 1.732 20 5 DDBDHN CN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000131129650 196142742 /nfs/dbraw/zinc/14/27/42/196142742.db2.gz QMJSUMKIFGWZFY-UHFFFAOYSA-N 0 3 316.155 1.649 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCNC[C@H]1c1ccccc1 ZINC000420401763 226484531 /nfs/dbraw/zinc/48/45/31/226484531.db2.gz JJRJORZEMBSVHZ-ZDUSSCGKSA-N 0 3 301.350 1.475 20 5 DDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366332969 418459447 /nfs/dbraw/zinc/45/94/47/418459447.db2.gz PNBADEOIFUWTCF-ADEWGFFLSA-N 0 3 303.318 1.250 20 5 DDBDHN CN(C)CCOc1cnccc1CNc1ncc([N+](=O)[O-])s1 ZINC000341041665 418624420 /nfs/dbraw/zinc/62/44/20/418624420.db2.gz OKUYRVRQRQDLSV-UHFFFAOYSA-N 0 3 323.378 1.999 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000365595281 418879780 /nfs/dbraw/zinc/87/97/80/418879780.db2.gz CQNHHDLGTGPFLY-CHWSQXEVSA-N 0 3 323.397 1.061 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN[C@H]2c3ccccc3CC[C@@H]2CO)n1 ZINC000365268470 418847969 /nfs/dbraw/zinc/84/79/69/418847969.db2.gz PMQOJHMPHHDWMM-CZUORRHYSA-N 0 3 316.361 1.677 20 5 DDBDHN COc1ccc(OCCN2C[C@@H](C)C[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000420943304 419374027 /nfs/dbraw/zinc/37/40/27/419374027.db2.gz POQPOECQNYKBRA-STQMWFEESA-N 0 3 324.377 1.933 20 5 DDBDHN CCOc1cc(CN[C@@H](CO)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000411993362 419553668 /nfs/dbraw/zinc/55/36/68/419553668.db2.gz ZAQUAJJIIIDPTO-KBPBESRZSA-N 0 3 324.377 1.871 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNCC1(OC)CCOCC1 ZINC000428847074 419940395 /nfs/dbraw/zinc/94/03/95/419940395.db2.gz FIAOXJIXNJYSBW-UHFFFAOYSA-N 0 3 310.350 1.889 20 5 DDBDHN Cc1cc(OCC(=O)N[C@H]2CCCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000430787131 420190334 /nfs/dbraw/zinc/19/03/34/420190334.db2.gz FFLGINURLBHFHV-OCCSQVGLSA-N 0 3 321.377 1.881 20 5 DDBDHN COC(=O)c1cc(C)nc(N(C)C[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000420638582 420338267 /nfs/dbraw/zinc/33/82/67/420338267.db2.gz QQAWEXXOKDCXHM-NSHDSACASA-N 0 3 322.365 1.615 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CNCCO1 ZINC000423997030 420298513 /nfs/dbraw/zinc/29/85/13/420298513.db2.gz KVLSNOMAWXMWSF-LBPRGKRZSA-N 0 3 307.350 1.238 20 5 DDBDHN CO[C@@H]1COC[C@@H]1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000459825794 420884932 /nfs/dbraw/zinc/88/49/32/420884932.db2.gz LRRYDWAXEPKXKP-UONOGXRCSA-N 0 3 323.349 1.235 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CNCCC1(F)F ZINC000449660831 421050475 /nfs/dbraw/zinc/05/04/75/421050475.db2.gz HCKIANHIPXPEAQ-NSHDSACASA-N 0 3 315.276 1.330 20 5 DDBDHN CNc1nc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000455769101 421060162 /nfs/dbraw/zinc/06/01/62/421060162.db2.gz YUSJAPJMERAGML-ZJUUUORDSA-N 0 3 307.354 1.244 20 5 DDBDHN CC(COC(=O)C1(C)CN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000497314080 421405871 /nfs/dbraw/zinc/40/58/71/421405871.db2.gz MKPDGPVVPDOTAN-VIFPVBQESA-N 0 3 302.327 1.452 20 5 DDBDHN Cc1ccc(NC(=O)N2CCN(C)C[C@@H]2CN)cc1[N+](=O)[O-] ZINC000564425685 421585210 /nfs/dbraw/zinc/58/52/10/421585210.db2.gz JSPSBBLWRJNZFK-LBPRGKRZSA-N 0 3 307.354 1.010 20 5 DDBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC(n2ccnc2)C1 ZINC000531418785 421633635 /nfs/dbraw/zinc/63/36/35/421633635.db2.gz BKAQTDAREAPIMJ-UHFFFAOYSA-N 0 3 312.289 1.365 20 5 DDBDHN CNc1nccc(C(=O)N(CCN(C)C)CC(C)C)c1[N+](=O)[O-] ZINC000571580323 421727807 /nfs/dbraw/zinc/72/78/07/421727807.db2.gz WPRQRINMXNWGOA-UHFFFAOYSA-N 0 3 323.397 1.691 20 5 DDBDHN COc1ccc(CNC[C@@H](O)CN(C)C2CC2)cc1[N+](=O)[O-] ZINC000571577280 421727956 /nfs/dbraw/zinc/72/79/56/421727956.db2.gz JTEHJVNBWYISEM-CYBMUJFWSA-N 0 3 309.366 1.148 20 5 DDBDHN CCN(CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000520549487 421755709 /nfs/dbraw/zinc/75/57/09/421755709.db2.gz ZPUBNDCFEJRYNU-UHFFFAOYSA-N 0 3 321.333 1.538 20 5 DDBDHN CN(C)C(=O)CCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000574627811 422144300 /nfs/dbraw/zinc/14/43/00/422144300.db2.gz AWAUWAKPNDIPSF-LBPRGKRZSA-N 0 3 321.381 1.344 20 5 DDBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000598259941 422395000 /nfs/dbraw/zinc/39/50/00/422395000.db2.gz GNMJIEVSGJPEBL-NSHDSACASA-N 0 3 321.381 1.422 20 5 DDBDHN CC(=O)NCCN(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000578010672 422476341 /nfs/dbraw/zinc/47/63/41/422476341.db2.gz YEIYOTLCJAGHTF-UHFFFAOYSA-N 0 3 322.365 1.300 20 5 DDBDHN NC(=O)c1cccc([N+](=O)[O-])c1N1CC[C@H](N2CCCC2)C1 ZINC000579217906 422725055 /nfs/dbraw/zinc/72/50/55/422725055.db2.gz WGTLCBDKIYKLSU-NSHDSACASA-N 0 3 304.350 1.368 20 5 DDBDHN COc1cc(CNC[C@H](CO)C(C)C)c([N+](=O)[O-])cc1OC ZINC000342225462 271345533 /nfs/dbraw/zinc/34/55/33/271345533.db2.gz WVRORGIUBYMZMI-GFCCVEGCSA-N 0 3 312.366 1.966 20 5 DDBDHN COC[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000136635651 277570486 /nfs/dbraw/zinc/57/04/86/277570486.db2.gz VXHBWNXNDLSSGK-IINYFYTJSA-N 0 3 307.350 1.936 20 5 DDBDHN Cc1ccc([C@@H](C)NC(=O)CNC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000237610446 278841712 /nfs/dbraw/zinc/84/17/12/278841712.db2.gz PYRVEXMZSZAJQT-TZMCWYRMSA-N 0 3 321.377 1.849 20 5 DDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CCCN1C ZINC000421002728 279237236 /nfs/dbraw/zinc/23/72/36/279237236.db2.gz MOXRGLXWLLBSRP-OLZOCXBDSA-N 0 3 320.393 1.948 20 5 DDBDHN C[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000125231033 281204640 /nfs/dbraw/zinc/20/46/40/281204640.db2.gz TUCRKFAXGKSFBY-IVMMDQJWSA-N 0 3 324.377 1.427 20 5 DDBDHN CN(C)CCN(C(=O)c1c([N+](=O)[O-])cnn1C)c1ccccc1 ZINC000165361640 298215981 /nfs/dbraw/zinc/21/59/81/298215981.db2.gz LMYCHZQGPZRUQB-UHFFFAOYSA-N 0 3 317.349 1.537 20 5 DDBDHN C[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)N(C)C ZINC000362501474 300079414 /nfs/dbraw/zinc/07/94/14/300079414.db2.gz VKJVDRUUTUIVOI-QMMMGPOBSA-N 0 3 301.293 1.482 20 5 DDBDHN CC(C)CN1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000364208657 300357177 /nfs/dbraw/zinc/35/71/77/300357177.db2.gz CZGCCGFTJMGHDQ-UHFFFAOYSA-N 0 3 323.397 1.372 20 5 DDBDHN O=[N+]([O-])c1cccc(OCCN2CCC(n3cncn3)CC2)c1 ZINC000368847297 301095438 /nfs/dbraw/zinc/09/54/38/301095438.db2.gz WXLXGZNWOVYKIO-UHFFFAOYSA-N 0 3 317.349 1.902 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000369136220 301135727 /nfs/dbraw/zinc/13/57/27/301135727.db2.gz ARLBGOKATIXBSH-SNVBAGLBSA-N 0 3 321.381 1.627 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CC[NH2+][C@H](C)C1 ZINC000235361747 302048682 /nfs/dbraw/zinc/04/86/82/302048682.db2.gz LYXHXMCKXNASLG-GHMZBOCLSA-N 0 3 313.379 1.322 20 5 DDBDHN CO[C@H]1C[C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000451496039 302399953 /nfs/dbraw/zinc/39/99/53/302399953.db2.gz LOXNUFSAGVQUIQ-OLZOCXBDSA-N 0 3 307.350 1.597 20 5 DDBDHN C[C@H](CO)N1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000364894536 307052831 /nfs/dbraw/zinc/05/28/31/307052831.db2.gz KJRYQMPIIXWBNE-CQSZACIVSA-N 0 3 323.393 1.362 20 5 DDBDHN COC(=O)c1cnc(N2CC[C@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000365078312 307057932 /nfs/dbraw/zinc/05/79/32/307057932.db2.gz STZDXCWYRUIEIG-ZWNOBZJWSA-N 0 3 320.349 1.307 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@H]21 ZINC000378474493 307288792 /nfs/dbraw/zinc/28/87/92/307288792.db2.gz RBEOYIPRHRRNOW-QMTHXVAHSA-N 0 3 307.325 1.900 20 5 DDBDHN O=C1OCCN1C[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000496780942 307360910 /nfs/dbraw/zinc/36/09/10/307360910.db2.gz IQYMWXYBLBBDID-AWEZNQCLSA-N 0 3 319.361 1.911 20 5 DDBDHN CC(=O)N1CC(N[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000583703537 337092244 /nfs/dbraw/zinc/09/22/44/337092244.db2.gz AKJOPORSDRFWTR-STQMWFEESA-N 0 3 307.354 1.095 20 5 DDBDHN O=C(C[C@@H]1CNCCO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000583087661 337234142 /nfs/dbraw/zinc/23/41/42/337234142.db2.gz ZRJJKRVMZKTDDQ-OAHLLOKOSA-N 0 3 319.361 1.464 20 5 DDBDHN C[C@H](NCCCN1C(=O)CNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000296699413 533846165 /nfs/dbraw/zinc/84/61/65/533846165.db2.gz KSMBKFIJHHYCKG-JTQLQIEISA-N 0 3 306.322 1.187 20 5 DDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451634546 534298628 /nfs/dbraw/zinc/29/86/28/534298628.db2.gz RQCMMHGSWHRGIR-TYNCELHUSA-N 0 3 318.377 1.558 20 5 DDBDHN CCCN(C)CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444643263 527820012 /nfs/dbraw/zinc/82/00/12/527820012.db2.gz YRJGMKAFYDDTGT-UHFFFAOYSA-N 0 3 305.338 1.429 20 5 DDBDHN CCN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000444174250 528513314 /nfs/dbraw/zinc/51/33/14/528513314.db2.gz GIOUWSKVOHPOEV-UHFFFAOYSA-N 0 3 315.395 1.603 20 5 DDBDHN CCN1CCC(N(C)C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000317323264 528971938 /nfs/dbraw/zinc/97/19/38/528971938.db2.gz VBSMEBWKQLEYCX-UHFFFAOYSA-N 0 3 306.366 1.733 20 5 DDBDHN CN1CCC(NC(=S)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000758268076 700695648 /nfs/dbraw/zinc/69/56/48/700695648.db2.gz LWMLMMKMWJWHNT-UHFFFAOYSA-N 0 3 322.434 1.696 20 5 DDBDHN CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000866068641 706609795 /nfs/dbraw/zinc/60/97/95/706609795.db2.gz USDYQXYNGYMQJF-LBPRGKRZSA-N 0 3 309.341 1.829 20 5 DDBDHN CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000839761307 701814659 /nfs/dbraw/zinc/81/46/59/701814659.db2.gz MJMPPLVWRJVAFE-RRFJBIMHSA-N 0 3 303.362 1.037 20 5 DDBDHN Cc1nc(COc2ccccc2C(=O)OCC(C)[N+](=O)[O-])no1 ZINC000813112631 702297823 /nfs/dbraw/zinc/29/78/23/702297823.db2.gz RVTXFPSGJQKCIN-VIFPVBQESA-N 0 3 321.289 1.779 20 5 DDBDHN CN(C)c1ncccc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818958862 704035398 /nfs/dbraw/zinc/03/53/98/704035398.db2.gz YKIRRDUXHZVUGB-HNNXBMFYSA-N 0 3 316.361 1.879 20 5 DDBDHN CC([C@H](OC(=O)[C@H]1CCC(=O)O1)c1ccccc1F)[N+](=O)[O-] ZINC000870454442 704043741 /nfs/dbraw/zinc/04/37/41/704043741.db2.gz KYKVWEBOWKBYTI-KDDOJWQBSA-N 0 3 311.265 1.781 20 5 DDBDHN CC(C)N1C[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000818996651 704047526 /nfs/dbraw/zinc/04/75/26/704047526.db2.gz VAOOKCPVDMJBRM-GXTWGEPZSA-N 0 3 307.350 1.227 20 5 DDBDHN O=C1CC[C@@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000852495439 704062442 /nfs/dbraw/zinc/06/24/42/704062442.db2.gz KXFFXVZGFSMXHA-SNPRPXQTSA-N 0 3 319.361 1.229 20 5 DDBDHN C[C@@H]1C[C@@H]1N1C[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000819120953 704072071 /nfs/dbraw/zinc/07/20/71/704072071.db2.gz DKGYFUDZFQQUAN-WCUVEOEZSA-N 0 3 319.361 1.227 20 5 DDBDHN C[C@@H]1C[C@@H]1N1C[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000819120947 704072173 /nfs/dbraw/zinc/07/21/73/704072173.db2.gz DKGYFUDZFQQUAN-DWZYQQQCSA-N 0 3 319.361 1.227 20 5 DDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855163133 704471606 /nfs/dbraw/zinc/47/16/06/704471606.db2.gz SYCVAGYSIKKEFR-ZIAGYGMSSA-N 0 3 321.377 1.617 20 5 DDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855163132 704471615 /nfs/dbraw/zinc/47/16/15/704471615.db2.gz SYCVAGYSIKKEFR-UONOGXRCSA-N 0 3 321.377 1.617 20 5 DDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1-c1ccn(C)n1 ZINC000857029319 704548119 /nfs/dbraw/zinc/54/81/19/704548119.db2.gz LRZXJBZKCZAXGV-JTQLQIEISA-N 0 3 306.322 1.650 20 5 DDBDHN CO[C@H]1CN(C)[C@@](C)(COC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000861345109 705436843 /nfs/dbraw/zinc/43/68/43/705436843.db2.gz YWBYYBNHHFWONT-QMTHXVAHSA-N 0 3 311.338 1.199 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@@](C)(O)c1ccccc1 ZINC000878728337 706482885 /nfs/dbraw/zinc/48/28/85/706482885.db2.gz LTSVJDSDYLHBRT-MRXNPFEDSA-N 0 3 318.377 1.939 20 5 DDBDHN COc1ccc(CNc2cc3n(n2)CCN(C)C3)cc1[N+](=O)[O-] ZINC000865844288 706541898 /nfs/dbraw/zinc/54/18/98/706541898.db2.gz HVJFBKRAPSSZIB-UHFFFAOYSA-N 0 3 317.349 1.857 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[C@@H]1CNC(=O)C1 ZINC000926981740 712926575 /nfs/dbraw/zinc/92/65/75/712926575.db2.gz VKNSBDMXGQFSHG-MNOVXSKESA-N 0 3 307.350 1.780 20 5 DDBDHN C[C@@H](NCCC1CS(=O)(=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872064705 707287125 /nfs/dbraw/zinc/28/71/25/707287125.db2.gz KFLCZQJRDIZYKY-SECBINFHSA-N 0 3 316.354 1.819 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000872263110 707354473 /nfs/dbraw/zinc/35/44/73/707354473.db2.gz WKQBXWBSGWPGDT-YUTCNCBUSA-N 0 3 308.382 1.581 20 5 DDBDHN Nc1ccc(N2CC[C@@H]3[C@@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC000897219935 708258023 /nfs/dbraw/zinc/25/80/23/708258023.db2.gz QIXSAFORLSYVGA-OLZOCXBDSA-N 0 3 306.366 1.212 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]2[C@H]1CCCN2CCO ZINC000897221371 708259257 /nfs/dbraw/zinc/25/92/57/708259257.db2.gz MBDSGDKSQTZXHM-QWHCGFSZSA-N 0 3 323.397 1.155 20 5 DDBDHN COC(=O)N1CCC[C@@H]([C@H](C)NCc2cccnc2[N+](=O)[O-])C1 ZINC000886142924 708704386 /nfs/dbraw/zinc/70/43/86/708704386.db2.gz OINSHCLYRQRISB-WCQYABFASA-N 0 3 322.365 1.946 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000928440063 713197050 /nfs/dbraw/zinc/19/70/50/713197050.db2.gz AMGROLIEJPFZIE-RNCFNFMXSA-N 0 3 311.769 2.000 20 5 DDBDHN O=C1C[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1CC1CC1 ZINC000905448188 712039803 /nfs/dbraw/zinc/03/98/03/712039803.db2.gz AKRYLCRVSQPVDO-DZGCQCFKSA-N 0 3 319.361 1.229 20 5 DDBDHN CN(C)CCN(C)C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906882149 712427060 /nfs/dbraw/zinc/42/70/60/712427060.db2.gz JAVUTHQXBMBPRZ-UHFFFAOYSA-N 0 3 323.349 1.390 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])CCN1C ZINC000913933883 713321846 /nfs/dbraw/zinc/32/18/46/713321846.db2.gz USZZDXSDUPAFSR-VXGBXAGGSA-N 0 3 321.381 1.399 20 5 DDBDHN CC[C@H](CO)N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000915875843 713434362 /nfs/dbraw/zinc/43/43/62/713434362.db2.gz YQVUMCDZACJQMU-RKDXNWHRSA-N 0 3 315.757 1.936 20 5 DDBDHN C[C@H](NC(C)(C)CO)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000916572822 713458555 /nfs/dbraw/zinc/45/85/55/713458555.db2.gz PHRNHZFNRISLBW-QMMMGPOBSA-N 0 3 315.757 1.936 20 5 DDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000930441066 713835926 /nfs/dbraw/zinc/83/59/26/713835926.db2.gz QXWKVHMGTLHOKI-DZKIICNBSA-N 0 3 306.362 1.873 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000921681045 713841267 /nfs/dbraw/zinc/84/12/67/713841267.db2.gz PPKIZLWIFJQNTH-BXUZGUMPSA-N 0 3 306.366 1.529 20 5 DDBDHN C[C@@](CO)(NC[C@H]1CCC2(COC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000931468801 714104573 /nfs/dbraw/zinc/10/45/73/714104573.db2.gz FTCQXCMDLNPRGN-CABCVRRESA-N 0 3 322.361 1.340 20 5 DDBDHN C[C@@H](NC[C@@H](O)COC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000932178959 714279786 /nfs/dbraw/zinc/27/97/86/714279786.db2.gz COHKRLRGUDJPNG-IUODEOHRSA-N 0 3 324.377 1.802 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1NC1CC3(C1)CS(=O)(=O)C3)CNC2 ZINC001168208522 741825285 /nfs/dbraw/zinc/82/52/85/741825285.db2.gz ZVPAJEZKMKVGBD-UHFFFAOYSA-N 0 3 323.374 1.187 20 5 DDBDHN Cc1cnccc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126782724 742131011 /nfs/dbraw/zinc/13/10/11/742131011.db2.gz WSOOFNKAJBESPE-UHFFFAOYSA-N 0 3 314.345 1.818 20 5 DDBDHN CC(C)COCCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001123981402 747334737 /nfs/dbraw/zinc/33/47/37/747334737.db2.gz SWZIODOZDKBGPS-UHFFFAOYSA-N 0 3 323.393 1.863 20 5 DDBDHN O=[N+]([O-])c1cccc(CNC[C@@H]2COC3(CCOCC3)O2)c1 ZINC001201676332 748566031 /nfs/dbraw/zinc/56/60/31/748566031.db2.gz OLEPLZOYFUICNB-CQSZACIVSA-N 0 3 308.334 1.607 20 5 DDBDHN COc1nc(SC)nc(-n2ccc([C@H](C)N)n2)c1[N+](=O)[O-] ZINC001169227752 762290076 /nfs/dbraw/zinc/29/00/76/762290076.db2.gz FDRYBLJWOAICJG-LURJTMIESA-N 0 3 310.339 1.321 20 5 DDBDHN C[C@@H](N)c1ccn(-c2nc(Cl)nc(Cl)c2[N+](=O)[O-])n1 ZINC001158348488 768113869 /nfs/dbraw/zinc/11/38/69/768113869.db2.gz HTUJGYSWPPUXDZ-SCSAIBSYSA-N 0 3 303.109 1.897 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H](C)[C@@H]1CNCCO1 ZINC001170565695 768164877 /nfs/dbraw/zinc/16/48/77/768164877.db2.gz CXHRTORLTTZMKO-ZANVPECISA-N 0 3 309.322 1.170 20 5 DDBDHN COc1ccc(C[C@H](C)NCC(=O)NC(C)C)c([N+](=O)[O-])c1 ZINC001170295164 766225393 /nfs/dbraw/zinc/22/53/93/766225393.db2.gz AACJLZKSWHMQTH-NSHDSACASA-N 0 3 309.366 1.649 20 5 DDBDHN CCc1ncoc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001133583744 770013913 /nfs/dbraw/zinc/01/39/13/770013913.db2.gz FAHWMPSGJNKKQY-UHFFFAOYSA-N 0 3 318.333 1.665 20 5 DDBDHN CCn1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)n1 ZINC001134768463 771165955 /nfs/dbraw/zinc/16/59/55/771165955.db2.gz DCWIGNKNCQUICX-UHFFFAOYSA-N 0 3 317.349 1.331 20 5 DDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](CN(C)C)C1 ZINC001173221211 777053488 /nfs/dbraw/zinc/05/34/88/777053488.db2.gz GIQLIJCMEUEEAR-XJKSGUPXSA-N 0 3 307.394 1.788 20 5 DDBDHN O=[N+]([O-])c1cnc(NCc2nnn3c2CNCCC3)c(Cl)c1 ZINC001155390046 862030123 /nfs/dbraw/zinc/03/01/23/862030123.db2.gz MUDSGMOGMUDBHL-UHFFFAOYSA-N 0 3 323.744 1.340 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])C1=COCCC1 ZINC001155601419 862278983 /nfs/dbraw/zinc/27/89/83/862278983.db2.gz AGOOJFAKNCWNFE-UHFFFAOYSA-N 0 3 319.361 1.885 20 5 DDBDHN COc1nc(N[C@H]2CCCC[C@@]23CNCCO3)ncc1[N+](=O)[O-] ZINC001155824361 862478139 /nfs/dbraw/zinc/47/81/39/862478139.db2.gz PAGDAFZDZYWRQN-SMDDNHRTSA-N 0 3 323.353 1.107 20 5 DDBDHN O=C(Cc1ccon1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001156005994 862626656 /nfs/dbraw/zinc/62/66/56/862626656.db2.gz FCDYMEKGWMMETO-UHFFFAOYSA-N 0 3 318.333 1.421 20 5 DDBDHN Cc1cc(CN)nn1-c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001156042411 862668351 /nfs/dbraw/zinc/66/83/51/862668351.db2.gz JRYMEBKFGGWTPH-SNAWJCMRSA-N 0 3 302.338 1.475 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1=COCCC1 ZINC001124656053 859770810 /nfs/dbraw/zinc/77/08/10/859770810.db2.gz LQDDRGZZRBHZBO-UHFFFAOYSA-N 0 3 305.334 1.495 20 5 DDBDHN Cc1n[nH]c(C(=O)NCc2ccc3cncn3c2)c1[N+](=O)[O-] ZINC001141947804 860977302 /nfs/dbraw/zinc/97/73/02/860977302.db2.gz IYRWCKCGJSAMDA-UHFFFAOYSA-N 0 3 300.278 1.204 20 5 DDBDHN COC[C@]1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCCCN1 ZINC001331691563 865248248 /nfs/dbraw/zinc/24/82/48/865248248.db2.gz HSTUIDUZGZNANB-INIZCTEOSA-N 0 3 319.361 1.596 20 5 DDBDHN C[C@H](Nc1cnc2cc([N+](=O)[O-])ccc2n1)[C@H]1CNCCO1 ZINC001159495087 865344374 /nfs/dbraw/zinc/34/43/74/865344374.db2.gz CLQCOKRGAPASJU-TVQRCGJNSA-N 0 3 303.322 1.327 20 5 DDBDHN C[C@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccc([N+](=O)[O-])cc1 ZINC001262558796 900243486 /nfs/dbraw/zinc/24/34/86/900243486.db2.gz QCQFWDFOIWIKBQ-ZWKOPEQDSA-N 0 3 310.329 1.737 20 5 DDBDHN CCCN(C)CC(=O)NCCN(C)c1nccc(C)c1[N+](=O)[O-] ZINC001316594027 903190387 /nfs/dbraw/zinc/19/03/87/903190387.db2.gz JDQIQTHMKXJNIF-UHFFFAOYSA-N 0 3 323.397 1.192 20 5 DDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC(=O)N(C)C1 ZINC000358083231 299070647 /nfs/dbraw/zinc/07/06/47/299070647.db2.gz KFWPYUCGLUJDII-CMPLNLGQSA-N 0 3 320.349 1.132 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@]1(O)CCO[C@@H]1C ZINC000278632767 214290738 /nfs/dbraw/zinc/29/07/38/214290738.db2.gz KVMFACUMQRARQZ-IAQYHMDHSA-N 0 3 310.350 1.623 20 5 DDBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000458223826 232291485 /nfs/dbraw/zinc/29/14/85/232291485.db2.gz NITHGBOQVFGRPS-UHFFFAOYSA-N 0 3 323.378 1.583 20 5 DDBDHN Cc1ccc([C@H](C)NC[C@H](O)Cn2cccn2)cc1[N+](=O)[O-] ZINC000181836752 199360042 /nfs/dbraw/zinc/36/00/42/199360042.db2.gz UTQSPQVKAGDAEM-JSGCOSHPSA-N 0 3 304.350 1.811 20 5 DDBDHN CCN1CCN(CCNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000042098489 352329422 /nfs/dbraw/zinc/32/94/22/352329422.db2.gz BXVQCKCCEMJXCF-UHFFFAOYSA-N 0 3 324.410 1.353 20 5 DDBDHN COCCN(C)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000067273256 353041704 /nfs/dbraw/zinc/04/17/04/353041704.db2.gz LFQCMKMOISSGNY-VMPITWQZSA-N 0 3 307.350 1.302 20 5 DDBDHN Cc1c(NC(=O)NCC2(O)CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000077660895 353481411 /nfs/dbraw/zinc/48/14/11/353481411.db2.gz BGFJMFAOLUAHPQ-UHFFFAOYSA-N 0 3 322.365 1.481 20 5 DDBDHN NC(=O)c1ccnc(N[C@H]2CCN(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000357243405 291030044 /nfs/dbraw/zinc/03/00/44/291030044.db2.gz XEWZKHLHQUZTAC-JTQLQIEISA-N 0 3 319.365 1.518 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)C[C@H](C)[NH3+] ZINC000319990581 354523735 /nfs/dbraw/zinc/52/37/35/354523735.db2.gz AEWBVOBGLPSXRO-IUCAKERBSA-N 0 3 317.367 1.008 20 5 DDBDHN Cc1cc(NCC[C@@]2(O)CCOC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000404224568 354675021 /nfs/dbraw/zinc/67/50/21/354675021.db2.gz KOOHTLQBYMDYGQ-MRXNPFEDSA-N 0 3 317.345 1.827 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588862580 354944396 /nfs/dbraw/zinc/94/43/96/354944396.db2.gz GNUWJJLRWMGECZ-KGLIPLIRSA-N 0 3 319.361 1.184 20 5 DDBDHN CN(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000589101873 354959454 /nfs/dbraw/zinc/95/94/54/354959454.db2.gz OXDMXSKWGDJHSH-SECBINFHSA-N 0 3 305.281 1.531 20 5 DDBDHN CCN1CCN([C@H](C)CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591139826 355254203 /nfs/dbraw/zinc/25/42/03/355254203.db2.gz OXQQJEQMOKYPEI-LLVKDONJSA-N 0 3 311.361 1.567 20 5 DDBDHN CC1CCN(C[C@@H](O)CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591146263 355255009 /nfs/dbraw/zinc/25/50/09/355255009.db2.gz REXRQGDRBPLKMQ-LBPRGKRZSA-N 0 3 312.345 1.634 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N2CN(CCN(C)C)C(=O)[C@H]2C)c1 ZINC000591984429 355453256 /nfs/dbraw/zinc/45/32/56/355453256.db2.gz GQXMBRWEZLZTAF-GFCCVEGCSA-N 0 3 306.366 1.459 20 5 DDBDHN Cc1cc(N2CN(CCN(C)C)C(=O)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000591984801 355453305 /nfs/dbraw/zinc/45/33/05/355453305.db2.gz HXDJFDCWBIEWAK-NSHDSACASA-N 0 3 324.356 1.599 20 5 DDBDHN C[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000593448322 355888165 /nfs/dbraw/zinc/88/81/65/355888165.db2.gz QKGUPGHPFCHLQU-SNVBAGLBSA-N 0 3 309.341 1.875 20 5 DDBDHN Cc1ccc(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594058110 356102529 /nfs/dbraw/zinc/10/25/29/356102529.db2.gz FMQVXXXFXKWDIX-QWHCGFSZSA-N 0 3 320.349 1.186 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc3occc3c2)c1 ZINC000594718572 356295500 /nfs/dbraw/zinc/29/55/00/356295500.db2.gz SVLPRYMUBPPMEG-CQSZACIVSA-N 0 3 316.317 1.688 20 5 DDBDHN COCCN(C)C[C@@H](O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000565224454 304055056 /nfs/dbraw/zinc/05/50/56/304055056.db2.gz JCUAANSZRLUIGI-CQSZACIVSA-N 0 3 314.407 1.767 20 5 DDBDHN CCCc1n[nH]c(C(=O)NC[C@@H](N)c2ccccc2)c1[N+](=O)[O-] ZINC000236884604 202051212 /nfs/dbraw/zinc/05/12/12/202051212.db2.gz AJNRBYYKFRIBRM-LLVKDONJSA-N 0 3 317.349 1.700 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CO)C1CCC1 ZINC000595613693 356578119 /nfs/dbraw/zinc/57/81/19/356578119.db2.gz AFGBORGCIVNHDH-ZDUSSCGKSA-N 0 3 323.349 1.293 20 5 DDBDHN CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1C ZINC000596206013 356813405 /nfs/dbraw/zinc/81/34/05/356813405.db2.gz JWLIDHNVNHCMNZ-CQSZACIVSA-N 0 3 306.366 1.470 20 5 DDBDHN COc1cc(C(=O)N2CCCNCC2)c([N+](=O)[O-])cc1OC ZINC000237233487 202198817 /nfs/dbraw/zinc/19/88/17/202198817.db2.gz GRIPKUKLFXSVNS-UHFFFAOYSA-N 0 3 309.322 1.048 20 5 DDBDHN CC(C)(C)N1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000597922517 357382950 /nfs/dbraw/zinc/38/29/50/357382950.db2.gz FKLRSAUMPFVPJU-LBPRGKRZSA-N 0 3 321.377 1.963 20 5 DDBDHN CCCN1CC[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000598342515 357545965 /nfs/dbraw/zinc/54/59/65/357545965.db2.gz OCWWWLZGKKAOOX-ZDUSSCGKSA-N 0 3 309.341 1.877 20 5 DDBDHN CC(C)[C@@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCN1 ZINC000598574794 357638152 /nfs/dbraw/zinc/63/81/52/357638152.db2.gz UNDZAAXYIPYIHO-NSHDSACASA-N 0 3 321.333 1.394 20 5 DDBDHN C[C@@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000598913294 357757004 /nfs/dbraw/zinc/75/70/04/357757004.db2.gz JGTJHCSKVWESHH-MFKMUULPSA-N 0 3 320.349 1.119 20 5 DDBDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000599625807 357997260 /nfs/dbraw/zinc/99/72/60/357997260.db2.gz PRNZPXQAMGHDAE-LFNDISMMSA-N 0 3 307.350 1.595 20 5 DDBDHN C[C@@H](O)CN1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601112999 358406216 /nfs/dbraw/zinc/40/62/16/358406216.db2.gz AOGIZRXDFQCHAN-GFCCVEGCSA-N 0 3 316.361 1.646 20 5 DDBDHN C[C@H]1CCCCN1CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180931588 199228987 /nfs/dbraw/zinc/22/89/87/199228987.db2.gz DDQMAYLUHYSTNI-NSHDSACASA-N 0 3 306.366 1.781 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNCC[C@@H](O)C(F)F)OCCO2 ZINC000601147350 358421434 /nfs/dbraw/zinc/42/14/34/358421434.db2.gz LEBUHNMEDSLTGT-SNVBAGLBSA-N 0 3 318.276 1.472 20 5 DDBDHN Cc1cc(S(=O)(=O)[N-]C[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])s1 ZINC000601434228 358551699 /nfs/dbraw/zinc/55/16/99/358551699.db2.gz NOIKOOXFYAHVGA-SECBINFHSA-N 0 3 319.408 1.195 20 5 DDBDHN Cc1cc(S(=O)(=O)[N-]C[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])s1 ZINC000601434228 358551701 /nfs/dbraw/zinc/55/17/01/358551701.db2.gz NOIKOOXFYAHVGA-SECBINFHSA-N 0 3 319.408 1.195 20 5 DDBDHN Cc1c(CNS(=O)(=O)CCCN(C)C)cccc1[N+](=O)[O-] ZINC000601401333 358536598 /nfs/dbraw/zinc/53/65/98/358536598.db2.gz MVDGRYOUPMDLSQ-UHFFFAOYSA-N 0 3 315.395 1.274 20 5 DDBDHN Cc1c(CN[C@@H]2CCCS(=O)(=O)CC2)cccc1[N+](=O)[O-] ZINC000602017901 358778576 /nfs/dbraw/zinc/77/85/76/358778576.db2.gz UTGFSKSMXYWJEE-CYBMUJFWSA-N 0 3 312.391 1.960 20 5 DDBDHN COC[C@@]1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCCCN1 ZINC000602445473 358981677 /nfs/dbraw/zinc/98/16/77/358981677.db2.gz WCSMOZPTEPXAEM-MRXNPFEDSA-N 0 3 321.377 1.712 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000602783087 359189169 /nfs/dbraw/zinc/18/91/69/359189169.db2.gz YESKUXVPIIDHBT-LBPRGKRZSA-N 0 3 324.381 1.763 20 5 DDBDHN Cn1cc(CN[C@@H]2CCN(C)[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602822936 359217070 /nfs/dbraw/zinc/21/70/70/359217070.db2.gz HJXFEDOHUVNYHR-CABCVRRESA-N 0 3 315.377 1.863 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000602951364 359316063 /nfs/dbraw/zinc/31/60/63/359316063.db2.gz JAIATILNGJUXIF-AAEUAGOBSA-N 0 3 319.365 1.278 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000602961503 359324019 /nfs/dbraw/zinc/32/40/19/359324019.db2.gz UUKSYINBAUEHPO-HNNXBMFYSA-N 0 3 319.365 1.280 20 5 DDBDHN COc1ccc(CC(=O)N[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000609044639 360258170 /nfs/dbraw/zinc/25/81/70/360258170.db2.gz NVQMWTQYHZDBMK-GFCCVEGCSA-N 0 3 307.350 1.356 20 5 DDBDHN CCN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000609283851 360287059 /nfs/dbraw/zinc/28/70/59/360287059.db2.gz FREMKTLZMUTXFV-ZFWWWQNUSA-N 0 3 323.393 1.361 20 5 DDBDHN COc1ccc(CC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000610208768 360390751 /nfs/dbraw/zinc/39/07/51/360390751.db2.gz KRPRCMCVDQXJMO-WCQYABFASA-N 0 3 321.377 1.745 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1N1CCCN(C[C@H]2CCCO2)CC1 ZINC000610489245 360450182 /nfs/dbraw/zinc/45/01/82/360450182.db2.gz SJSUTGJFUDTYNE-GFCCVEGCSA-N 0 3 309.370 1.019 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)NC[C@H](C)N2CCCC2)c1[N+](=O)[O-] ZINC000610922159 360572549 /nfs/dbraw/zinc/57/25/49/360572549.db2.gz BCJMNSNUPSNQET-JTQLQIEISA-N 0 3 309.370 1.655 20 5 DDBDHN CC(C)[C@H](NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC1 ZINC000611395112 360710269 /nfs/dbraw/zinc/71/02/69/360710269.db2.gz BSLQIWDKNZMWEQ-ZDUSSCGKSA-N 0 3 309.370 1.028 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000264474199 203946549 /nfs/dbraw/zinc/94/65/49/203946549.db2.gz GTOBKDXKWCYUQI-CYBMUJFWSA-N 0 3 321.381 1.187 20 5 DDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H](N2CCCCC2)C1 ZINC000264577160 204006351 /nfs/dbraw/zinc/00/63/51/204006351.db2.gz ITHNVOLSRVZSMM-NSHDSACASA-N 0 3 319.365 1.153 20 5 DDBDHN Cc1nn(C)c(C(=O)N2CC[C@@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264609551 204026382 /nfs/dbraw/zinc/02/63/82/204026382.db2.gz ZAUHTSUJIHPXLH-GFCCVEGCSA-N 0 3 321.381 1.337 20 5 DDBDHN CC(C)[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)N1CCCCC1 ZINC000156987653 248308836 /nfs/dbraw/zinc/30/88/36/248308836.db2.gz MPCFBHUOWFFMPQ-CQSZACIVSA-N 0 3 323.397 1.418 20 5 DDBDHN CNC(=O)c1ccc(N[C@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000336859132 249266766 /nfs/dbraw/zinc/26/67/66/249266766.db2.gz FIZDEHBJZDGWGA-JQWIXIFHSA-N 0 3 306.366 1.849 20 5 DDBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)N1CCCC[C@@H]1C ZINC000339003576 250241629 /nfs/dbraw/zinc/24/16/29/250241629.db2.gz OCJKYRYAEGHHQS-QWRGUYRKSA-N 0 3 321.381 1.764 20 5 DDBDHN CCOCC(C)(C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000339374141 250442842 /nfs/dbraw/zinc/44/28/42/250442842.db2.gz RFRMPCMPXFOGDR-UHFFFAOYSA-N 0 3 321.377 1.889 20 5 DDBDHN CCCN(CCN1CCN(CC)CC1)c1ncc([N+](=O)[O-])cn1 ZINC000341041700 251350569 /nfs/dbraw/zinc/35/05/69/251350569.db2.gz OPFCESBDZRDWPT-UHFFFAOYSA-N 0 3 322.413 1.239 20 5 DDBDHN COc1cc(CN2C[C@@H](C(N)=O)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352404119 285027819 /nfs/dbraw/zinc/02/78/19/285027819.db2.gz CGCLMCGKIYZDIR-PWSUYJOCSA-N 0 3 307.350 1.689 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000174014506 285112621 /nfs/dbraw/zinc/11/26/21/285112621.db2.gz ONTBZBJYOZXGOM-MRXNPFEDSA-N 0 3 305.378 1.891 20 5 DDBDHN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000121848832 195360713 /nfs/dbraw/zinc/36/07/13/195360713.db2.gz DWVAZBZPNKPVMU-ZDUSSCGKSA-N 0 3 320.393 1.208 20 5 DDBDHN Cc1cc(NC(=O)NC[C@@]2(O)CCN(C)C2)ccc1[N+](=O)[O-] ZINC000352903247 285376210 /nfs/dbraw/zinc/37/62/10/285376210.db2.gz SFNSZGXVBDUGHD-AWEZNQCLSA-N 0 3 308.338 1.091 20 5 DDBDHN C[C@@H]1C[C@@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000124812084 195681537 /nfs/dbraw/zinc/68/15/37/195681537.db2.gz LLPVMHOMXAFNEL-OLZOCXBDSA-N 0 3 321.377 1.915 20 5 DDBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000330738496 533389106 /nfs/dbraw/zinc/38/91/06/533389106.db2.gz NPJSRCNVEBUALW-NSHDSACASA-N 0 3 320.393 1.979 20 5 DDBDHN NC(=O)C1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000026218751 406902967 /nfs/dbraw/zinc/90/29/67/406902967.db2.gz NUQZMRJHBRXMHA-UHFFFAOYSA-N 0 3 320.349 1.121 20 5 DDBDHN C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H](C)C1 ZINC000046952150 407067474 /nfs/dbraw/zinc/06/74/74/407067474.db2.gz WKGPRRHWSMEWIA-RYUDHWBXSA-N 0 3 309.370 1.028 20 5 DDBDHN CC[C@@H](NC[C@H](O)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000089515125 407137976 /nfs/dbraw/zinc/13/79/76/407137976.db2.gz DUEYZMVZBTYISY-LSDHHAIUSA-N 0 3 321.377 1.619 20 5 DDBDHN CCC[NH2+]CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054266452 407181042 /nfs/dbraw/zinc/18/10/42/407181042.db2.gz YIIQMNJMFBAHRN-UHFFFAOYSA-N 0 3 321.786 1.526 20 5 DDBDHN CN1CCC(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054645732 407187944 /nfs/dbraw/zinc/18/79/44/407187944.db2.gz IWQWGADKLJZUNU-UHFFFAOYSA-N 0 3 306.366 1.531 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000102486967 407323555 /nfs/dbraw/zinc/32/35/55/407323555.db2.gz IDMTWLYJRKIHBE-ZDUSSCGKSA-N 0 3 323.397 1.399 20 5 DDBDHN C[C@@H]1C[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000124497760 407360390 /nfs/dbraw/zinc/36/03/90/407360390.db2.gz ANOYWGXQRWWUGK-OCCSQVGLSA-N 0 3 321.377 1.915 20 5 DDBDHN CN(CCn1cccn1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000111283784 407406202 /nfs/dbraw/zinc/40/62/02/407406202.db2.gz MEZJVBQOJXDIDU-CQSZACIVSA-N 0 3 320.349 1.163 20 5 DDBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185766172 407497358 /nfs/dbraw/zinc/49/73/58/407497358.db2.gz DSLONXRDFORPEW-LLVKDONJSA-N 0 3 315.395 1.603 20 5 DDBDHN CN1CCC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185774876 407499592 /nfs/dbraw/zinc/49/95/92/407499592.db2.gz SLAFDLLXCGXMLA-LLVKDONJSA-N 0 3 313.379 1.215 20 5 DDBDHN CN(C)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccsc1 ZINC000270978322 407449237 /nfs/dbraw/zinc/44/92/37/407449237.db2.gz ILIGBWHJUZJLIU-VIFPVBQESA-N 0 3 309.351 1.412 20 5 DDBDHN CN1CCC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170639936 407459480 /nfs/dbraw/zinc/45/94/80/407459480.db2.gz VNZGNYLUFWGRDA-NSHDSACASA-N 0 3 304.350 1.986 20 5 DDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000115436478 407679639 /nfs/dbraw/zinc/67/96/39/407679639.db2.gz MPUZIVRAPKGMKM-CYBMUJFWSA-N 0 3 321.377 1.774 20 5 DDBDHN CC(C)OCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000267002909 407710089 /nfs/dbraw/zinc/71/00/89/407710089.db2.gz OMYQYRMMKCBOCE-UHFFFAOYSA-N 0 3 324.381 1.542 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CCN(C)C1CC1 ZINC000186735233 407762823 /nfs/dbraw/zinc/76/28/23/407762823.db2.gz OQNMNVPVMCWNLU-UHFFFAOYSA-N 0 3 320.393 1.868 20 5 DDBDHN CNCC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000237270328 407808700 /nfs/dbraw/zinc/80/87/00/407808700.db2.gz ZGHQIHKEEKOSAT-GFCCVEGCSA-N 0 3 323.349 1.313 20 5 DDBDHN Cc1nn(C[C@@H](O)CN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000179858446 407837651 /nfs/dbraw/zinc/83/76/51/407837651.db2.gz IFLRJGCOLSEDER-HNNXBMFYSA-N 0 3 316.361 1.519 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000268213356 407953034 /nfs/dbraw/zinc/95/30/34/407953034.db2.gz AZOSRUCRJISFRS-GXTWGEPZSA-N 0 3 320.349 1.972 20 5 DDBDHN CCOc1cccc(N2CCCN(CCO)CC2)c1[N+](=O)[O-] ZINC000181213381 407968849 /nfs/dbraw/zinc/96/88/49/407968849.db2.gz ODWRHMHBTQNTAA-UHFFFAOYSA-N 0 3 309.366 1.498 20 5 DDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCCC[C@H]1O ZINC000272451898 407929377 /nfs/dbraw/zinc/92/93/77/407929377.db2.gz CHDQCEJBJNBSJL-GXTWGEPZSA-N 0 3 309.366 1.239 20 5 DDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](N(C)C)C1 ZINC000245826290 408076380 /nfs/dbraw/zinc/07/63/80/408076380.db2.gz YYQLHLJZNNUQFA-IUODEOHRSA-N 0 3 320.393 1.948 20 5 DDBDHN COC[C@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000136635594 408117413 /nfs/dbraw/zinc/11/74/13/408117413.db2.gz VXHBWNXNDLSSGK-HZMBPMFUSA-N 0 3 307.350 1.936 20 5 DDBDHN COc1cc(CNCC2(CCO)CC2)c([N+](=O)[O-])cc1OC ZINC000190003556 408144763 /nfs/dbraw/zinc/14/47/63/408144763.db2.gz PWSXXIYGODTBON-UHFFFAOYSA-N 0 3 310.350 1.864 20 5 DDBDHN CCCCNC(=O)[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221418 408314906 /nfs/dbraw/zinc/31/49/06/408314906.db2.gz CHWIDDVXVJJSMS-ZDUSSCGKSA-N 0 3 323.397 1.420 20 5 DDBDHN Cc1nn(CCC(=O)NCCN(C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000263842596 408282712 /nfs/dbraw/zinc/28/27/12/408282712.db2.gz STVWGOXXIQWUBW-UHFFFAOYSA-N 0 3 309.370 1.009 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000171452840 162218611 /nfs/dbraw/zinc/21/86/11/162218611.db2.gz UDKNOEBOLUVLOP-GFCCVEGCSA-N 0 3 319.361 1.914 20 5 DDBDHN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN2CCC[C@H]2C1 ZINC000171584554 162225982 /nfs/dbraw/zinc/22/59/82/162225982.db2.gz TYDHVVOLCGIPTR-LFAOLKIESA-N 0 3 301.346 1.915 20 5 DDBDHN CC[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CCN1C[C@H](C)O ZINC000247392343 408460723 /nfs/dbraw/zinc/46/07/23/408460723.db2.gz XGBSDKIGFSONRA-WCQYABFASA-N 0 3 313.423 1.933 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177198731 408550510 /nfs/dbraw/zinc/55/05/10/408550510.db2.gz SKEKEJPYNHMTPE-VXGBXAGGSA-N 0 3 319.361 1.715 20 5 DDBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000248620974 408599953 /nfs/dbraw/zinc/59/99/53/408599953.db2.gz MXOZXUWPJWJYAP-BXKDBHETSA-N 0 3 307.354 1.031 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177162548 408539298 /nfs/dbraw/zinc/53/92/98/408539298.db2.gz GXZLDTRBHQKFAE-MWLCHTKSSA-N 0 3 304.350 1.653 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN(C)C1CC1 ZINC000265354804 408623231 /nfs/dbraw/zinc/62/32/31/408623231.db2.gz CSOLSIFCWREYFP-UHFFFAOYSA-N 0 3 320.349 1.052 20 5 DDBDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000270763343 408673230 /nfs/dbraw/zinc/67/32/30/408673230.db2.gz NHDQNSUDHZQBON-NSHDSACASA-N 0 3 323.397 1.569 20 5 DDBDHN CC(C)[C@H](N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161977417 408658422 /nfs/dbraw/zinc/65/84/22/408658422.db2.gz BUGFWOVZUSTSRK-HNNXBMFYSA-N 0 3 321.377 1.948 20 5 DDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N(C)C ZINC000270754988 408666979 /nfs/dbraw/zinc/66/69/79/408666979.db2.gz BLQLBDIPLIMJJU-SNVBAGLBSA-N 0 3 302.334 1.823 20 5 DDBDHN CC[C@H](N)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000177946027 408742889 /nfs/dbraw/zinc/74/28/89/408742889.db2.gz RZAHGSXIMQQIOA-JTQLQIEISA-N 0 3 311.338 1.008 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@](C)(O)C1 ZINC000177973305 408747405 /nfs/dbraw/zinc/74/74/05/408747405.db2.gz XSHDEPCOTZIPCC-OAHLLOKOSA-N 0 3 323.349 1.389 20 5 DDBDHN Cc1nn(C)c(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249893491 408772519 /nfs/dbraw/zinc/77/25/19/408772519.db2.gz UMQOGJQANOALJJ-GHMZBOCLSA-N 0 3 323.397 1.487 20 5 DDBDHN Cc1nn(C)c(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249893497 408772816 /nfs/dbraw/zinc/77/28/16/408772816.db2.gz UMQOGJQANOALJJ-MNOVXSKESA-N 0 3 323.397 1.487 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000250945566 408779856 /nfs/dbraw/zinc/77/98/56/408779856.db2.gz BPBNUZPXEYORQG-UONOGXRCSA-N 0 3 319.361 1.496 20 5 DDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCc3n[nH]cc3C2)c([N+](=O)[O-])c1 ZINC000194473369 163284162 /nfs/dbraw/zinc/28/41/62/163284162.db2.gz YUWPMZQNPFIRLY-LLVKDONJSA-N 0 3 317.305 1.873 20 5 DDBDHN C[C@H]1CN(CCCNC(=O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000277396225 408933171 /nfs/dbraw/zinc/93/31/71/408933171.db2.gz DQDUQLOINNONDA-ZDUSSCGKSA-N 0 3 321.377 1.826 20 5 DDBDHN COc1ccc(NC(=O)CN[C@H]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000277498268 408952590 /nfs/dbraw/zinc/95/25/90/408952590.db2.gz PGVOFMDADFKFJZ-PWSUYJOCSA-N 0 3 323.349 1.557 20 5 DDBDHN CN1CC[C@@]2(CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292149112 408989738 /nfs/dbraw/zinc/98/97/38/408989738.db2.gz IKAJFCQOXIRWOH-MRXNPFEDSA-N 0 3 319.361 1.528 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2cccc(O)c2)c1 ZINC000571277576 304449473 /nfs/dbraw/zinc/44/94/73/304449473.db2.gz MANVRLMTCBTMDN-HNNXBMFYSA-N 0 3 318.329 1.830 20 5 DDBDHN COC[C@H](NCCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000279155850 409160206 /nfs/dbraw/zinc/16/02/06/409160206.db2.gz ZHMWAYVNCCININ-JSGCOSHPSA-N 0 3 310.350 1.757 20 5 DDBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@H](CC(N)=O)c1ccccc1 ZINC000280291608 409286381 /nfs/dbraw/zinc/28/63/81/409286381.db2.gz FFEQEONMFCTILK-CQSZACIVSA-N 0 3 317.349 1.340 20 5 DDBDHN CCC(=O)N1CC[C@H](N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000285449895 409448593 /nfs/dbraw/zinc/44/85/93/409448593.db2.gz ZMDAXFCIGKAQGO-JQWIXIFHSA-N 0 3 306.366 1.839 20 5 DDBDHN CC1CCN(CCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290589557 409453314 /nfs/dbraw/zinc/45/33/14/409453314.db2.gz XDUUTWFDXWQANI-UHFFFAOYSA-N 0 3 307.354 1.233 20 5 DDBDHN CCc1nn(C)c(NC[C@@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000317845295 164029254 /nfs/dbraw/zinc/02/92/54/164029254.db2.gz YAJXIMXGAIDACF-WDEREUQCSA-N 0 3 309.370 1.166 20 5 DDBDHN COc1cc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000347017735 164097358 /nfs/dbraw/zinc/09/73/58/164097358.db2.gz UVAAOQWECWAIQV-CYBMUJFWSA-N 0 3 319.361 1.912 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)n1 ZINC000331520391 409595405 /nfs/dbraw/zinc/59/54/05/409595405.db2.gz FTFHCPNPHRYGIW-RYUDHWBXSA-N 0 3 321.381 1.510 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000342471209 409657984 /nfs/dbraw/zinc/65/79/84/409657984.db2.gz WUPHNLZKBSKSRV-IINYFYTJSA-N 0 3 319.361 1.816 20 5 DDBDHN C[C@H](NC(=O)[C@@H]1CN2CCN1CCC2)c1ccccc1[N+](=O)[O-] ZINC000342475253 409663161 /nfs/dbraw/zinc/66/31/61/409663161.db2.gz RNUSOYXKEITLHJ-WFASDCNBSA-N 0 3 318.377 1.162 20 5 DDBDHN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000356867667 409677688 /nfs/dbraw/zinc/67/76/88/409677688.db2.gz MUOZBMXCIJRVAA-VXGBXAGGSA-N 0 3 307.350 1.938 20 5 DDBDHN CCN1CC[C@@H](N(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1C ZINC000354405384 409833334 /nfs/dbraw/zinc/83/33/34/409833334.db2.gz UQPXDKDFALEWRQ-ZYHUDNBSSA-N 0 3 323.397 1.582 20 5 DDBDHN COCCN1CC[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000297169121 409836237 /nfs/dbraw/zinc/83/62/37/409836237.db2.gz PKYXVPFMHMMACH-JTQLQIEISA-N 0 3 305.338 1.604 20 5 DDBDHN C[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000357308685 409967661 /nfs/dbraw/zinc/96/76/61/409967661.db2.gz WQTOKLLVZUTBRL-WDEREUQCSA-N 0 3 321.381 1.764 20 5 DDBDHN CCN1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000339395814 410158009 /nfs/dbraw/zinc/15/80/09/410158009.db2.gz LYMRGMPUKVYWSK-HZPDHXFCSA-N 0 3 305.378 1.890 20 5 DDBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000298383059 410206881 /nfs/dbraw/zinc/20/68/81/410206881.db2.gz ZCFNMJIDSFQUBO-MRVPVSSYSA-N 0 3 310.310 1.491 20 5 DDBDHN COc1ccc(NC(=O)CCN2C[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000351826458 410267032 /nfs/dbraw/zinc/26/70/32/410267032.db2.gz KBFVHADWRBKBPM-QMTHXVAHSA-N 0 3 323.349 1.245 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CC[NH3+])cc1C ZINC000336836575 410635107 /nfs/dbraw/zinc/63/51/07/410635107.db2.gz WYNOHIHQUMOQIO-SNVBAGLBSA-N 0 3 301.368 1.227 20 5 DDBDHN NC(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000352944804 410691961 /nfs/dbraw/zinc/69/19/61/410691961.db2.gz NNIFWLPWXYYEPW-LLVKDONJSA-N 0 3 319.283 1.923 20 5 DDBDHN COc1cc(CNC[C@@H](CO)C2CC2)c([N+](=O)[O-])cc1OC ZINC000353078528 410774538 /nfs/dbraw/zinc/77/45/38/410774538.db2.gz HVSYPYHTGJKUGA-LBPRGKRZSA-N 0 3 310.350 1.720 20 5 DDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N1CCC[C@H](C)C1 ZINC000330586040 410801883 /nfs/dbraw/zinc/80/18/83/410801883.db2.gz SIRJJKNKNLOYKY-NWDGAFQWSA-N 0 3 308.382 1.784 20 5 DDBDHN C[C@H]1[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000343914971 410804327 /nfs/dbraw/zinc/80/43/27/410804327.db2.gz WJUIARQZKPMYLV-SWLSCSKDSA-N 0 3 320.393 1.919 20 5 DDBDHN COC(=O)c1cc(N2CCN3CCC2CC3)cc(C)c1[N+](=O)[O-] ZINC000302763617 410860964 /nfs/dbraw/zinc/86/09/64/410860964.db2.gz KXNKQVMPCCAREU-UHFFFAOYSA-N 0 3 319.361 1.974 20 5 DDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)N1CCC[C@@H](C)C1 ZINC000356150100 410864336 /nfs/dbraw/zinc/86/43/36/410864336.db2.gz HTHWUJYCCXUDRA-MNOVXSKESA-N 0 3 309.370 1.179 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCC2CCN(CCO)CC2)c1 ZINC000340281390 410819849 /nfs/dbraw/zinc/81/98/49/410819849.db2.gz VHEYECMKVZJLAE-UHFFFAOYSA-N 0 3 321.377 1.337 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](CO)C1CCOCC1 ZINC000359853589 410917458 /nfs/dbraw/zinc/91/74/58/410917458.db2.gz WHHIJMRVAUPCPW-AWEZNQCLSA-N 0 3 310.350 1.481 20 5 DDBDHN Cc1c(CNC(=O)N2CCN3CCC2CC3)cccc1[N+](=O)[O-] ZINC000341417082 411044142 /nfs/dbraw/zinc/04/41/42/411044142.db2.gz KGQRRRKJCYWIGN-UHFFFAOYSA-N 0 3 318.377 1.893 20 5 DDBDHN CNc1nccc(C(=O)N[C@H](C)C2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000516313077 416721406 /nfs/dbraw/zinc/72/14/06/416721406.db2.gz JLFPRAAGGFUALY-SNVBAGLBSA-N 0 3 319.365 1.412 20 5 DDBDHN COCCN1CCC[C@@H]1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194599765 222178760 /nfs/dbraw/zinc/17/87/60/222178760.db2.gz UUVIWUXSZDYOLS-CYBMUJFWSA-N 0 3 321.377 1.744 20 5 DDBDHN Cn1ccnc1[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000365649780 418888894 /nfs/dbraw/zinc/88/88/94/418888894.db2.gz PKJXJYSQFHYCOI-LBPRGKRZSA-N 0 3 304.354 1.404 20 5 DDBDHN NCc1cn([C@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000415122363 419954555 /nfs/dbraw/zinc/95/45/55/419954555.db2.gz IFIBBJGSHYNXIU-AWEZNQCLSA-N 0 3 316.365 1.482 20 5 DDBDHN C[C@@H]1CCN[C@@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000423718607 420141009 /nfs/dbraw/zinc/14/10/09/420141009.db2.gz CXONXMCEQWOESY-PRHODGIISA-N 0 3 303.322 1.798 20 5 DDBDHN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000420461895 420303051 /nfs/dbraw/zinc/30/30/51/420303051.db2.gz HENXWENSQXFFQW-SNVBAGLBSA-N 0 3 301.368 1.227 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCN(C)C1 ZINC000416497969 420394091 /nfs/dbraw/zinc/39/40/91/420394091.db2.gz VOBXNCRWIKHSCA-LLVKDONJSA-N 0 3 313.379 1.133 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCN(C)C1 ZINC000416497971 420395883 /nfs/dbraw/zinc/39/58/83/420395883.db2.gz VOBXNCRWIKHSCA-NSHDSACASA-N 0 3 313.379 1.133 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](CC(F)(F)F)C2)c1 ZINC000444697969 230123066 /nfs/dbraw/zinc/12/30/66/230123066.db2.gz RIFCAGAKKRDMMC-KOLCDFICSA-N 0 3 322.287 1.427 20 5 DDBDHN CN(C)C1(CNC(=O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000438520697 420457085 /nfs/dbraw/zinc/45/70/85/420457085.db2.gz XIHHUFBBUYYOKT-UHFFFAOYSA-N 0 3 307.350 1.574 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451635524 420605861 /nfs/dbraw/zinc/60/58/61/420605861.db2.gz RHUYMEFGDNFENO-TVYUQYBPSA-N 0 3 303.318 1.169 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000440799999 420608520 /nfs/dbraw/zinc/60/85/20/420608520.db2.gz DFSJXNLOPOAKKV-QWRGUYRKSA-N 0 3 313.379 1.180 20 5 DDBDHN CC(C)NC(=O)CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447519667 420777971 /nfs/dbraw/zinc/77/79/71/420777971.db2.gz QYLUHBNOXHJWND-RYUDHWBXSA-N 0 3 309.370 1.389 20 5 DDBDHN Cc1nn(CCC(=O)NCCN2CC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000525291743 421284366 /nfs/dbraw/zinc/28/43/66/421284366.db2.gz PMBMTQZXEKMUEH-NSHDSACASA-N 0 3 323.397 1.256 20 5 DDBDHN Cc1ccc(NC(=O)N2CCN(C)C[C@H]2CN)cc1[N+](=O)[O-] ZINC000564425682 421586055 /nfs/dbraw/zinc/58/60/55/421586055.db2.gz JSPSBBLWRJNZFK-GFCCVEGCSA-N 0 3 307.354 1.010 20 5 DDBDHN C[C@H]1C[C@@H](CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000554446015 421640665 /nfs/dbraw/zinc/64/06/65/421640665.db2.gz WZZJRKOKFUQTTN-KBPBESRZSA-N 0 3 320.393 1.927 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCOC(F)(F)F ZINC000582236591 422134775 /nfs/dbraw/zinc/13/47/75/422134775.db2.gz DKECQUQMBWAWAP-SECBINFHSA-N 0 3 324.255 1.461 20 5 DDBDHN C[C@@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CN1C1CC1 ZINC000584383764 422299292 /nfs/dbraw/zinc/29/92/92/422299292.db2.gz PEOQRFYKDGKYIK-NXEZZACHSA-N 0 3 302.338 1.675 20 5 DDBDHN CN(C)[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1ccccc1 ZINC000590569707 422320997 /nfs/dbraw/zinc/32/09/97/422320997.db2.gz NUZNAFHXPDDDHD-ZDUSSCGKSA-N 0 3 301.350 2.287 20 5 DDBDHN O=C(NCCNc1ccncc1)c1ccc([N+](=O)[O-])cc1F ZINC000341873514 271228335 /nfs/dbraw/zinc/22/83/35/271228335.db2.gz ICKDGROSPFJKPL-UHFFFAOYSA-N 0 3 304.281 1.393 20 5 DDBDHN CCOc1ccc(C(=O)NCC2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000343257855 271704672 /nfs/dbraw/zinc/70/46/72/271704672.db2.gz ZPABDORABUNRBF-UHFFFAOYSA-N 0 3 319.361 1.985 20 5 DDBDHN C[C@H](CC(N)=O)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000345848487 272349923 /nfs/dbraw/zinc/34/99/23/272349923.db2.gz JFYWHDLDAGTMID-SNVBAGLBSA-N 0 3 317.349 1.349 20 5 DDBDHN CNCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000440833062 273961467 /nfs/dbraw/zinc/96/14/67/273961467.db2.gz KUDGCIKHWBCJKH-UHFFFAOYSA-N 0 3 301.368 1.052 20 5 DDBDHN CCN(C)C(=O)CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331351478 276067040 /nfs/dbraw/zinc/06/70/40/276067040.db2.gz WLYDIKJFUNJQGN-NEPJUHHUSA-N 0 3 309.370 1.343 20 5 DDBDHN CC[C@H](N[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(=O)NC ZINC000453408659 288088051 /nfs/dbraw/zinc/08/80/51/288088051.db2.gz QQJWYKVQPJGTJV-SDDRHHMPSA-N 0 3 309.370 1.389 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000286989446 280188628 /nfs/dbraw/zinc/18/86/28/280188628.db2.gz GXVHQJYVZHKGAX-QWRGUYRKSA-N 0 3 307.354 1.325 20 5 DDBDHN Cc1[nH]nc(C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000286989446 280188631 /nfs/dbraw/zinc/18/86/31/280188631.db2.gz GXVHQJYVZHKGAX-QWRGUYRKSA-N 0 3 307.354 1.325 20 5 DDBDHN Cc1cc(N[C@H]2CC[S@@](=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000340777899 280301256 /nfs/dbraw/zinc/30/12/56/280301256.db2.gz MKYCEQMBTZXCKQ-CHNSCGDPSA-N 0 3 305.359 1.806 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CCN(C)C)C1CC1 ZINC000356279402 298750838 /nfs/dbraw/zinc/75/08/38/298750838.db2.gz LWJVFASFZNYXII-UHFFFAOYSA-N 0 3 309.370 1.042 20 5 DDBDHN COc1ccc(C(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000362287200 300044520 /nfs/dbraw/zinc/04/45/20/300044520.db2.gz OKAYVEIMXGJVHB-FZMZJTMJSA-N 0 3 319.361 1.770 20 5 DDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363094666 300209407 /nfs/dbraw/zinc/20/94/07/300209407.db2.gz GGYUPMQZFODIRT-UONOGXRCSA-N 0 3 320.349 1.580 20 5 DDBDHN COc1cccc(NC[C@@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000368486705 301038993 /nfs/dbraw/zinc/03/89/93/301038993.db2.gz OVOOCYZDYUSQDC-NWDGAFQWSA-N 0 3 307.350 1.879 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000368587544 301058689 /nfs/dbraw/zinc/05/86/89/301058689.db2.gz DACMUPGTYLDVJN-GXSJLCMTSA-N 0 3 307.354 1.047 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000368587544 301058691 /nfs/dbraw/zinc/05/86/91/301058691.db2.gz DACMUPGTYLDVJN-GXSJLCMTSA-N 0 3 307.354 1.047 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000377645093 307275485 /nfs/dbraw/zinc/27/54/85/307275485.db2.gz BNGGDEYZRINVDP-HIFRSBDPSA-N 0 3 315.377 1.863 20 5 DDBDHN Cc1cc(S(=O)(=O)N[C@@H]2CCCNC2)c(C)cc1[N+](=O)[O-] ZINC000569987932 308155429 /nfs/dbraw/zinc/15/54/29/308155429.db2.gz AJPRGWKXMSQZSN-LLVKDONJSA-N 0 3 313.379 1.242 20 5 DDBDHN Cc1cc(CN)cc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000457379072 534172644 /nfs/dbraw/zinc/17/26/44/534172644.db2.gz OIQKCBHRHHZKLS-UHFFFAOYSA-N 0 3 317.349 1.932 20 5 DDBDHN CCN(C)CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294983892 527795496 /nfs/dbraw/zinc/79/54/96/527795496.db2.gz SMEZGZBDECYNGT-UHFFFAOYSA-N 0 3 307.350 1.626 20 5 DDBDHN CC(C)[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)N1CCCCC1 ZINC000156987492 535138253 /nfs/dbraw/zinc/13/82/53/535138253.db2.gz MPCFBHUOWFFMPQ-AWEZNQCLSA-N 0 3 323.397 1.418 20 5 DDBDHN CC(C)(CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000128681349 696781155 /nfs/dbraw/zinc/78/11/55/696781155.db2.gz UYRXRCSAUQYMQQ-LBPRGKRZSA-N 0 3 316.379 1.041 20 5 DDBDHN O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@H](N3CC=CC3)C2)c1 ZINC000172932814 697373496 /nfs/dbraw/zinc/37/34/96/697373496.db2.gz ZUBIRGULHUCHQP-HNNXBMFYSA-N 0 3 313.361 1.848 20 5 DDBDHN Cc1cc(C(=O)NCCN2CCC[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000773195913 697726604 /nfs/dbraw/zinc/72/66/04/697726604.db2.gz BZXFWLJCBHRVEO-NSHDSACASA-N 0 3 306.366 1.700 20 5 DDBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCCC1CS(=O)(=O)C1 ZINC000786825218 699171910 /nfs/dbraw/zinc/17/19/10/699171910.db2.gz QWNOVJLOAQMPAD-UHFFFAOYSA-N 0 3 318.782 1.773 20 5 DDBDHN CCN(CCc1ccccn1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000761672044 700866622 /nfs/dbraw/zinc/86/66/22/700866622.db2.gz DVSRUBLHHKRWRS-UHFFFAOYSA-N 0 3 316.361 1.716 20 5 DDBDHN O=C(CN[C@H](CO)C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000763070404 700924035 /nfs/dbraw/zinc/92/40/35/700924035.db2.gz PLZFDMNULXGPHM-LLVKDONJSA-N 0 3 313.741 1.547 20 5 DDBDHN CN(C)c1ncc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1C ZINC000840894017 702273040 /nfs/dbraw/zinc/27/30/40/702273040.db2.gz MUJLCXCFVYXEHT-CQSZACIVSA-N 0 3 319.365 1.218 20 5 DDBDHN COc1ccc([C@@H](CC(=O)OCC(C)[N+](=O)[O-])NC(C)=O)cc1 ZINC000813100031 702290149 /nfs/dbraw/zinc/29/01/49/702290149.db2.gz KLBZCJAJCQKFHD-IINYFYTJSA-N 0 3 324.333 1.471 20 5 DDBDHN CC(C)[C@H](NC(=O)c1ccccn1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813103449 702292150 /nfs/dbraw/zinc/29/21/50/702292150.db2.gz AYMPNAQXRWBKFK-JQWIXIFHSA-N 0 3 309.322 1.044 20 5 DDBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])c([N+](=O)[O-])cc1OC ZINC000813105690 702292925 /nfs/dbraw/zinc/29/29/25/702292925.db2.gz RVTZMMNZPAYZRG-SSDOTTSWSA-N 0 3 314.250 1.434 20 5 DDBDHN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105172 702293182 /nfs/dbraw/zinc/29/31/82/702293182.db2.gz WPJNKEQWKMJPIB-GXSJLCMTSA-N 0 3 304.302 1.710 20 5 DDBDHN Cc1cc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)ccc1F ZINC000813108139 702294058 /nfs/dbraw/zinc/29/40/58/702294058.db2.gz BBWMQPIBSJIOGW-GHMZBOCLSA-N 0 3 324.308 1.695 20 5 DDBDHN CC(COC(=O)CCCc1nc2ccccc2c(=O)[nH]1)[N+](=O)[O-] ZINC000813106915 702294345 /nfs/dbraw/zinc/29/43/45/702294345.db2.gz JJXRHBGQHVCFLP-JTQLQIEISA-N 0 3 319.317 1.867 20 5 DDBDHN Cc1ccc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1F ZINC000813109423 702294804 /nfs/dbraw/zinc/29/48/04/702294804.db2.gz SBSPEKAGZWARIU-GHMZBOCLSA-N 0 3 324.308 1.695 20 5 DDBDHN CC(COC(=O)CCc1nc(-c2ccncc2)no1)[N+](=O)[O-] ZINC000813109149 702295121 /nfs/dbraw/zinc/29/51/21/702295121.db2.gz GDSBFQIHHQSSGY-SECBINFHSA-N 0 3 306.278 1.273 20 5 DDBDHN Cc1nc(COc2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)no1 ZINC000813112997 702298305 /nfs/dbraw/zinc/29/83/05/702298305.db2.gz NKRQPBZRESGPAX-VIFPVBQESA-N 0 3 321.289 1.779 20 5 DDBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCc3nnnn3CC2)c1 ZINC000817418679 702376280 /nfs/dbraw/zinc/37/62/80/702376280.db2.gz BIXDSXIZWRBCQE-JTQLQIEISA-N 0 3 322.756 1.729 20 5 DDBDHN CON(C)C(=O)[C@H](C)N[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866400232 706689839 /nfs/dbraw/zinc/68/98/39/706689839.db2.gz ZSQVIDKZGWIFJR-ZJUUUORDSA-N 0 3 313.329 1.663 20 5 DDBDHN CC([C@H](OC(=O)[C@H]1CCNC(=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845874380 703211377 /nfs/dbraw/zinc/21/13/77/703211377.db2.gz HGNBSWMQQBIETA-BFVZDQMLSA-N 0 3 324.308 1.601 20 5 DDBDHN COC(=O)COc1ccc(CN[C@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000850359156 703727121 /nfs/dbraw/zinc/72/71/21/703727121.db2.gz YFRVKYGNVNQRNG-LBPRGKRZSA-N 0 3 306.318 1.955 20 5 DDBDHN CC(C)(CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000819133127 704074342 /nfs/dbraw/zinc/07/43/42/704074342.db2.gz JIJAONKVGHXEOX-GFCCVEGCSA-N 0 3 316.379 1.041 20 5 DDBDHN COc1ccc(CNC[C@@H](O)c2ccccn2)cc1[N+](=O)[O-] ZINC000853062239 704190944 /nfs/dbraw/zinc/19/09/44/704190944.db2.gz ODQQCXFNPDOKNM-CQSZACIVSA-N 0 3 303.318 1.822 20 5 DDBDHN CC(C)[C@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000856490365 704531045 /nfs/dbraw/zinc/53/10/45/704531045.db2.gz JYIMVQMJAFEYMI-ZIAGYGMSSA-N 0 3 307.350 1.085 20 5 DDBDHN O=[N+]([O-])c1cccc(N2CCN(c3ccnc(CO)c3)CC2)c1 ZINC000858350345 704698592 /nfs/dbraw/zinc/69/85/92/704698592.db2.gz GBESXIXDTGPNIA-UHFFFAOYSA-N 0 3 314.345 1.809 20 5 DDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc([N+](=O)[O-])ccc1F ZINC000826867947 705887410 /nfs/dbraw/zinc/88/74/10/705887410.db2.gz NOKKPJLUBYUDKS-NSHDSACASA-N 0 3 307.325 1.948 20 5 DDBDHN C[C@@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000828905412 706253425 /nfs/dbraw/zinc/25/34/25/706253425.db2.gz WPIPNMOQBOVGAA-IAQYHMDHSA-N 0 3 319.361 1.395 20 5 DDBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@@]1(O)CCc2ccccc21 ZINC000829337405 706320830 /nfs/dbraw/zinc/32/08/30/706320830.db2.gz GTIXNJDWGJTBGY-INIZCTEOSA-N 0 3 316.361 1.557 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCN1C ZINC000830110208 706456585 /nfs/dbraw/zinc/45/65/85/706456585.db2.gz BQSDJGYEUARYBU-SDJAHQOYSA-N 0 3 303.362 1.907 20 5 DDBDHN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000830292910 706491272 /nfs/dbraw/zinc/49/12/72/706491272.db2.gz UENYDHHNEJPHFK-XHSDSOJGSA-N 0 3 321.377 1.033 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000897221370 708259129 /nfs/dbraw/zinc/25/91/29/708259129.db2.gz MBDSGDKSQTZXHM-OLZOCXBDSA-N 0 3 323.397 1.155 20 5 DDBDHN CC(C)c1ccc(C(=O)N(C)CCN(C)CCO)cc1[N+](=O)[O-] ZINC000912605424 713045161 /nfs/dbraw/zinc/04/51/61/713045161.db2.gz SLWBSEULWMYDNE-UHFFFAOYSA-N 0 3 323.393 1.714 20 5 DDBDHN O=[N+]([O-])c1ncccc1CN[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000886164354 708708712 /nfs/dbraw/zinc/70/87/12/708708712.db2.gz IWZWRHSLSMJUPA-HUUCEWRRSA-N 0 3 320.393 1.723 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@H](CO)[C@@H]1CCOC1 ZINC000894189714 711007809 /nfs/dbraw/zinc/00/78/09/711007809.db2.gz LAQKEPQVMHWGMQ-NEPJUHHUSA-N 0 3 314.769 1.983 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@H](CO)[C@@H]1CCOC1 ZINC000894189917 711007899 /nfs/dbraw/zinc/00/78/99/711007899.db2.gz LAQKEPQVMHWGMQ-VXGBXAGGSA-N 0 3 314.769 1.983 20 5 DDBDHN C[C@@]1(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CN2CCC1CC2 ZINC000912374430 711299173 /nfs/dbraw/zinc/29/91/73/711299173.db2.gz NYHCKZRYFIPOGF-GOEBONIOSA-N 0 3 319.361 1.229 20 5 DDBDHN C[C@@H]1[C@H](Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CCN1C ZINC000895737459 711590680 /nfs/dbraw/zinc/59/06/80/711590680.db2.gz VRHXZQUCZAELLD-NXEZZACHSA-N 0 3 319.365 1.290 20 5 DDBDHN CC[C@H](CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000916570892 713458269 /nfs/dbraw/zinc/45/82/69/713458269.db2.gz ZXHZYEJDCMXIAO-MRVPVSSYSA-N 0 3 301.730 1.547 20 5 DDBDHN C[C@H](NC(C)(C)CO)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000916572466 713458653 /nfs/dbraw/zinc/45/86/53/713458653.db2.gz JECNCXBHIIVXFL-QMMMGPOBSA-N 0 3 315.757 1.936 20 5 DDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000930441070 713835698 /nfs/dbraw/zinc/83/56/98/713835698.db2.gz QXWKVHMGTLHOKI-IJEWVQPXSA-N 0 3 306.362 1.873 20 5 DDBDHN Cn1ccc(C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000932144758 714270504 /nfs/dbraw/zinc/27/05/04/714270504.db2.gz VYMNDHJSGQJLOP-UHFFFAOYSA-N 0 3 304.354 1.404 20 5 DDBDHN CN1CC[C@H](Nc2cc([N+](=O)[O-])cc(Br)n2)C1 ZINC001167275579 732886086 /nfs/dbraw/zinc/88/60/86/732886086.db2.gz SRZDRVPMXBLYMH-ZETCQYMHSA-N 0 3 301.144 1.868 20 5 DDBDHN O=C(NC1CN(CCCc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030294667 744027537 /nfs/dbraw/zinc/02/75/37/744027537.db2.gz PSWSOXHBGOMBIV-HUUCEWRRSA-N 0 3 303.362 1.085 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC[C@H](NC(=O)C2CC2)CC1 ZINC001034574685 750582532 /nfs/dbraw/zinc/58/25/32/750582532.db2.gz KWJXLFPQJQRHEW-HAQNSBGRSA-N 0 3 321.381 1.255 20 5 DDBDHN O=C(c1ccco1)N1CCCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169037073 762192711 /nfs/dbraw/zinc/19/27/11/762192711.db2.gz IOZMOAPQUFWNIL-KGLIPLIRSA-N 0 3 321.377 1.873 20 5 DDBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccc[nH]1 ZINC001019985210 760387091 /nfs/dbraw/zinc/38/70/91/760387091.db2.gz WBJOLBGUJCLRPB-JOCQHMNTSA-N 0 3 314.345 1.974 20 5 DDBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1cn[nH]c1 ZINC001020004660 760411852 /nfs/dbraw/zinc/41/18/52/760411852.db2.gz TZGKTODSTIFIPM-JOCQHMNTSA-N 0 3 315.333 1.369 20 5 DDBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1cc[nH]c1 ZINC001020182289 760658308 /nfs/dbraw/zinc/65/83/08/760658308.db2.gz LVVYCDXCCWHZAC-HDJSIYSDSA-N 0 3 314.345 1.974 20 5 DDBDHN CCN(CC)CC(=O)NCCN(C)c1cc(C)ccc1[N+](=O)[O-] ZINC001100125904 775711213 /nfs/dbraw/zinc/71/12/13/775711213.db2.gz UHCCFUGVGWIHAF-UHFFFAOYSA-N 0 3 322.409 1.797 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC[C@H]1CCN1C1CCOCC1 ZINC001119977755 781703644 /nfs/dbraw/zinc/70/36/44/781703644.db2.gz SPEDRLQKIIRGGA-CYBMUJFWSA-N 0 3 306.366 1.385 20 5 DDBDHN Cn1nccc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001155480612 862141190 /nfs/dbraw/zinc/14/11/90/862141190.db2.gz HRMYYYYZFGVRCN-UHFFFAOYSA-N 0 3 317.349 1.238 20 5 DDBDHN COc1nc(N2CCNC[C@H]2c2cccs2)ncc1[N+](=O)[O-] ZINC001156089491 862714616 /nfs/dbraw/zinc/71/46/16/862714616.db2.gz NJHQFLZBJLGELQ-VIFPVBQESA-N 0 3 321.362 1.606 20 5 DDBDHN Cc1ncc([N+](=O)[O-])c(N2CCNC[C@H]2c2cccs2)n1 ZINC001156098433 862718850 /nfs/dbraw/zinc/71/88/50/862718850.db2.gz PTANBJPOHQSWRU-JTQLQIEISA-N 0 3 305.363 1.906 20 5 DDBDHN Cc1ccc(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)o1 ZINC001154398955 861071789 /nfs/dbraw/zinc/07/17/89/861071789.db2.gz NAACGOGYWISOTE-UHFFFAOYSA-N 0 3 321.337 1.139 20 5 DDBDHN COc1nc(N2CCCc3ccc(CN)nc32)ncc1[N+](=O)[O-] ZINC001158648173 864784889 /nfs/dbraw/zinc/78/48/89/864784889.db2.gz ZPDNGYZWLQCYGW-UHFFFAOYSA-N 0 3 316.321 1.331 20 5 DDBDHN Cc1nc(N2CCCc3ccc(CN)nc32)ncc1[N+](=O)[O-] ZINC001158656211 864794588 /nfs/dbraw/zinc/79/45/88/864794588.db2.gz VVGBPSLOTDGIOB-UHFFFAOYSA-N 0 3 300.322 1.631 20 5 DDBDHN Cc1nc(N2CCCN(C[C@@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC001324417765 867267863 /nfs/dbraw/zinc/26/78/63/867267863.db2.gz QKPXDKGHJYWEIR-ZDUSSCGKSA-N 0 3 321.381 1.384 20 5 DDBDHN CN(c1ccc(C(C)(C)C)cc1[N+](=O)[O-])S(=O)(=O)CCN ZINC001164296254 869096803 /nfs/dbraw/zinc/09/68/03/869096803.db2.gz BWPZWBUHKIRCJX-UHFFFAOYSA-N 0 3 315.395 1.617 20 5 DDBDHN CN1CCCC[C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001336746988 869121871 /nfs/dbraw/zinc/12/18/71/869121871.db2.gz YVHFRIWNOPJHIM-CYBMUJFWSA-N 0 3 321.377 1.964 20 5 DDBDHN N[C@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C[C@@H]1F ZINC001165118527 869387055 /nfs/dbraw/zinc/38/70/55/869387055.db2.gz ICMSWAIZZQDBBM-WDSKDSINSA-N 0 3 310.663 1.674 20 5 DDBDHN O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H]2NCCO[C@H]2C1 ZINC001165271044 869482499 /nfs/dbraw/zinc/48/24/99/869482499.db2.gz ORZHXJYXPVDFJW-ZFWWWQNUSA-N 0 3 314.345 1.710 20 5 DDBDHN CCC(C)(C)N1CCN(c2nnc(CCC[N+](=O)[O-])n2C)CC1 ZINC001338175302 869852259 /nfs/dbraw/zinc/85/22/59/869852259.db2.gz ZMRVKKMBNASVAO-UHFFFAOYSA-N 0 3 324.429 1.335 20 5 DDBDHN COC(=O)[C@]1(CNCc2ccc(OC)c([N+](=O)[O-])c2)CCOC1 ZINC001204104217 870939169 /nfs/dbraw/zinc/93/91/69/870939169.db2.gz OYDRTIZDZBKBLX-HNNXBMFYSA-N 0 3 324.333 1.273 20 5 DDBDHN CC[C@H](CNS(C)(=O)=O)NCc1cccc([N+](=O)[O-])c1C ZINC001308410533 871498648 /nfs/dbraw/zinc/49/86/48/871498648.db2.gz ROQRQCXYLWJSCZ-GFCCVEGCSA-N 0 3 315.395 1.321 20 5 DDBDHN COC(=O)c1ccc(CO[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC001223413080 880951212 /nfs/dbraw/zinc/95/12/12/880951212.db2.gz ILRIEJCUYIUGRM-CYBMUJFWSA-N 0 3 308.334 1.992 20 5 DDBDHN COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1CN2CCC1CC2 ZINC001233988618 887528169 /nfs/dbraw/zinc/52/81/69/887528169.db2.gz WCNQACMYFANGLO-MRXNPFEDSA-N 0 3 306.362 1.987 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001254553816 896499620 /nfs/dbraw/zinc/49/96/20/896499620.db2.gz ZQALIKTUIKTVQP-DAXOMENPSA-N 0 3 308.378 1.591 20 5 DDBDHN CNC(=O)NC1CCN([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254568514 896505557 /nfs/dbraw/zinc/50/55/57/896505557.db2.gz GMLVTFWHANAZBH-GFCCVEGCSA-N 0 3 320.393 1.919 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCN(CC(C)(C)O)CC1 ZINC001254571308 896509402 /nfs/dbraw/zinc/50/94/02/896509402.db2.gz SDUAMFOHEJOOGL-CQSZACIVSA-N 0 3 321.421 1.914 20 5 DDBDHN CCn1c(CCC[N+](=O)[O-])nnc1N1CCN(C(C)(C)C)CC1 ZINC001263008992 900466668 /nfs/dbraw/zinc/46/66/68/900466668.db2.gz NBBJSOMZAAYKHF-UHFFFAOYSA-N 0 3 324.429 1.428 20 5 DDBDHN CN1CCCC[C@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001263094412 900493006 /nfs/dbraw/zinc/49/30/06/900493006.db2.gz GFABFLMPVFRACR-HNNXBMFYSA-N 0 3 320.393 1.921 20 5 DDBDHN CCN1C[C@H](C)N(c2nnc(C[N+](=O)[O-])n2CC2CC2)C[C@H]1C ZINC001263676061 900668328 /nfs/dbraw/zinc/66/83/28/900668328.db2.gz FYMXXAPGPJEQQC-NEPJUHHUSA-N 0 3 322.413 1.384 20 5 DDBDHN CCCN(C)CC(=O)NCCN(C)c1ccccc1[N+](=O)[O-] ZINC001316594238 903194856 /nfs/dbraw/zinc/19/48/56/903194856.db2.gz SBGABSMXPSVUPI-UHFFFAOYSA-N 0 3 308.382 1.489 20 5 DDBDHN CN(C)CCN(Cc1ccccn1)c1ncccc1[N+](=O)[O-] ZINC000433425144 282097224 /nfs/dbraw/zinc/09/72/24/282097224.db2.gz VNLCAIGPWHGSQX-UHFFFAOYSA-N 0 3 301.350 1.953 20 5 DDBDHN CCN(CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000076825461 185045542 /nfs/dbraw/zinc/04/55/42/185045542.db2.gz ZVQTYFQTOKRVAB-UHFFFAOYSA-N 0 3 315.395 1.523 20 5 DDBDHN COC[C@]1(CO)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000451925624 231236644 /nfs/dbraw/zinc/23/66/44/231236644.db2.gz LDZHPZPYBIMJSJ-OAHLLOKOSA-N 0 3 310.350 1.304 20 5 DDBDHN Cc1ccc(C(=O)NC[C@@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000452351189 231356708 /nfs/dbraw/zinc/35/67/08/231356708.db2.gz PHCQTEBMJXTKMZ-AWEZNQCLSA-N 0 3 321.377 1.480 20 5 DDBDHN CC[C@H](NC[C@H](O)COCCOC)c1cccc([N+](=O)[O-])c1 ZINC000295006334 529618989 /nfs/dbraw/zinc/61/89/89/529618989.db2.gz OTMDUFWOXRYANU-GJZGRUSLSA-N 0 3 312.366 1.659 20 5 DDBDHN CN(C)C[C@@](C)(O)CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255513355 282261875 /nfs/dbraw/zinc/26/18/75/282261875.db2.gz KIZKSZLNXJEZMG-CDNLZTBQSA-N 0 3 307.350 1.037 20 5 DDBDHN CN(C)C[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000255880875 282283410 /nfs/dbraw/zinc/28/34/10/282283410.db2.gz RUSADUNWBDLOBQ-IDTUSYRASA-N 0 3 319.361 1.397 20 5 DDBDHN CN1C[C@@H]2CCCN(C(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425047011 529821937 /nfs/dbraw/zinc/82/19/37/529821937.db2.gz LWTXKYIIAAQFER-DZGCQCFKSA-N 0 3 303.362 1.690 20 5 DDBDHN CN1CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491874425 530053141 /nfs/dbraw/zinc/05/31/41/530053141.db2.gz VODGKKADEZEMHZ-GQCTYLIASA-N 0 3 307.325 1.911 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@H](C)C2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000330780625 232062094 /nfs/dbraw/zinc/06/20/94/232062094.db2.gz XEMGCJOGLCJIGR-SECBINFHSA-N 0 3 307.354 1.017 20 5 DDBDHN Cc1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])ccc1CN(C)C ZINC000458278483 232323848 /nfs/dbraw/zinc/32/38/48/232323848.db2.gz IWDNMRRXJFYODN-UHFFFAOYSA-N 0 3 317.349 1.951 20 5 DDBDHN Nc1nc(N2CCN(C3CCCCC3)CC2)ncc1[N+](=O)[O-] ZINC000152435955 186072408 /nfs/dbraw/zinc/07/24/08/186072408.db2.gz YKUQPAUJGSVQJQ-UHFFFAOYSA-N 0 3 306.370 1.422 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](OCCO)C2)cc1 ZINC000172301748 198075188 /nfs/dbraw/zinc/07/51/88/198075188.db2.gz MQRJJVOQAJXYIA-OAHLLOKOSA-N 0 3 310.350 1.447 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCC1=CCN(C)CC1 ZINC000277188957 213354305 /nfs/dbraw/zinc/35/43/05/213354305.db2.gz BGMLLOKHGIBPEC-UHFFFAOYSA-N 0 3 305.334 1.595 20 5 DDBDHN C[C@@H]1CCCN(CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000047145553 352484221 /nfs/dbraw/zinc/48/42/21/352484221.db2.gz LLENYMKGDNZZHQ-LLVKDONJSA-N 0 3 306.366 1.639 20 5 DDBDHN C[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000057710414 352826034 /nfs/dbraw/zinc/82/60/34/352826034.db2.gz AVAGEZWSUPWORZ-LLVKDONJSA-N 0 3 307.350 1.573 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000057159661 352802390 /nfs/dbraw/zinc/80/23/90/352802390.db2.gz XIYBSZJHIJRCLO-GFCCVEGCSA-N 0 3 307.350 1.818 20 5 DDBDHN CC(=O)NC[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000067413289 353047778 /nfs/dbraw/zinc/04/77/78/353047778.db2.gz WBUCLYVHMDQEET-OAHLLOKOSA-N 0 3 305.378 1.985 20 5 DDBDHN COc1ccc(OCCN2[C@@H]3CC[C@H]2CC(O)C3)c([N+](=O)[O-])c1 ZINC000173729837 198244865 /nfs/dbraw/zinc/24/48/65/198244865.db2.gz AVZRURFQWSUPBY-FUNVUKJBSA-N 0 3 322.361 1.970 20 5 DDBDHN CN(C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000072246938 353194900 /nfs/dbraw/zinc/19/49/00/353194900.db2.gz WSXDNFGTIOIHHF-UHFFFAOYSA-N 0 3 303.322 1.605 20 5 DDBDHN COc1cc(C(=O)N[C@@H](C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000287256537 219410298 /nfs/dbraw/zinc/41/02/98/219410298.db2.gz RGZHUBRSKVGPBA-VIFPVBQESA-N 0 3 311.338 1.292 20 5 DDBDHN CCN1CCN(C[C@H](C)CNc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074741738 353327708 /nfs/dbraw/zinc/32/77/08/353327708.db2.gz AFSOFAUEUNBHOT-CYBMUJFWSA-N 0 3 321.425 1.984 20 5 DDBDHN CCCNC(=O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174815388 198388395 /nfs/dbraw/zinc/38/83/95/198388395.db2.gz LLEYCADRVNWBCA-UHFFFAOYSA-N 0 3 309.370 1.030 20 5 DDBDHN CNc1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000078671329 353527266 /nfs/dbraw/zinc/52/72/66/353527266.db2.gz BFRFFYZTACNBFY-UHFFFAOYSA-N 0 3 318.377 1.993 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000108298462 353949362 /nfs/dbraw/zinc/94/93/62/353949362.db2.gz MEFMCXJHEGMDSU-CYBMUJFWSA-N 0 3 321.381 1.090 20 5 DDBDHN NC(=O)N[C@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000270623443 354408161 /nfs/dbraw/zinc/40/81/61/354408161.db2.gz KHPOTJDWTHBITP-NSHDSACASA-N 0 3 308.338 1.106 20 5 DDBDHN C[C@@H]1CCC[C@@H](C)N1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357244415 291030445 /nfs/dbraw/zinc/03/04/45/291030445.db2.gz ZZUAFFIVDWGYHY-GHMZBOCLSA-N 0 3 321.381 1.764 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1Nc1cnn(CCN(C)C)c1 ZINC000588816422 354938508 /nfs/dbraw/zinc/93/85/08/354938508.db2.gz SAMKWIHZYNUERZ-UHFFFAOYSA-N 0 3 307.358 1.621 20 5 DDBDHN CC[C@@H](CN1CCCC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000589573639 355002074 /nfs/dbraw/zinc/00/20/74/355002074.db2.gz ZEOGBJMDDMEFMR-JTQLQIEISA-N 0 3 307.354 1.375 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCO[C@@H]1C1CC1 ZINC000494470540 235039527 /nfs/dbraw/zinc/03/95/27/235039527.db2.gz FWWWWMUBQGVYTM-BLLLJJGKSA-N 0 3 319.361 1.999 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](CCO)C(C)C)c1 ZINC000589506566 354997875 /nfs/dbraw/zinc/99/78/75/354997875.db2.gz DEQQSRXZNYKLNR-CYBMUJFWSA-N 0 3 310.350 1.878 20 5 DDBDHN COc1ccc(OCCN2CC[C@@H]3CN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000590010308 355038903 /nfs/dbraw/zinc/03/89/03/355038903.db2.gz AUZNHXZRCRARHM-DOMZBBRYSA-N 0 3 321.377 1.618 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000590442882 355096374 /nfs/dbraw/zinc/09/63/74/355096374.db2.gz HRYNJIYFQBPIJK-MWLCHTKSSA-N 0 3 307.354 1.047 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000590442882 355096375 /nfs/dbraw/zinc/09/63/75/355096375.db2.gz HRYNJIYFQBPIJK-MWLCHTKSSA-N 0 3 307.354 1.047 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000590445470 355098904 /nfs/dbraw/zinc/09/89/04/355098904.db2.gz MYSYZPLZJCWVOV-BONVTDFDSA-N 0 3 314.345 1.852 20 5 DDBDHN C[C@H](CCCO)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590655156 355138769 /nfs/dbraw/zinc/13/87/69/355138769.db2.gz BAQCYBSOHLTTKE-LLVKDONJSA-N 0 3 310.350 1.864 20 5 DDBDHN CO[C@@H](CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000591722883 355370967 /nfs/dbraw/zinc/37/09/67/355370967.db2.gz AOJFGLCJMMEANI-GJZGRUSLSA-N 0 3 320.349 1.130 20 5 DDBDHN Cc1cc(N2CN(CCN(C)C)C(=O)[C@H]2C)ccc1[N+](=O)[O-] ZINC000591981537 355453314 /nfs/dbraw/zinc/45/33/14/355453314.db2.gz CFUGBCVTVDXIGT-GFCCVEGCSA-N 0 3 306.366 1.459 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCNC2CC2)c1 ZINC000592367027 355568660 /nfs/dbraw/zinc/56/86/60/355568660.db2.gz NONPFWAAJXPNIP-UHFFFAOYSA-N 0 3 313.379 1.242 20 5 DDBDHN COC[C@@H]1C[C@@H](O)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000593062201 355784047 /nfs/dbraw/zinc/78/40/47/355784047.db2.gz CDPHQUFCFPNGCX-NWDGAFQWSA-N 0 3 323.349 1.005 20 5 DDBDHN CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CN2CCC1CC2 ZINC000593461968 355892734 /nfs/dbraw/zinc/89/27/34/355892734.db2.gz WRDSXYRFASZFSX-HNNXBMFYSA-N 0 3 321.352 1.829 20 5 DDBDHN Cn1nnc2c1CC[C@H](NCc1ccc([N+](=O)[O-])cc1F)C2 ZINC000594517000 356241354 /nfs/dbraw/zinc/24/13/54/356241354.db2.gz TZMYZVQGFFONPQ-JTQLQIEISA-N 0 3 305.313 1.510 20 5 DDBDHN NC[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000594525995 356243232 /nfs/dbraw/zinc/24/32/32/356243232.db2.gz ZLKWVKLYBYULGT-JTQLQIEISA-N 0 3 320.271 1.326 20 5 DDBDHN O=C(CN[C@@H](CO)C1CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595617470 356578809 /nfs/dbraw/zinc/57/88/09/356578809.db2.gz ULDVRZQIAPWILE-AWEZNQCLSA-N 0 3 319.361 1.235 20 5 DDBDHN CO[C@]1(CO)CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595659801 356596573 /nfs/dbraw/zinc/59/65/73/356596573.db2.gz AOZLARFOVZVIAH-OAHLLOKOSA-N 0 3 310.350 1.447 20 5 DDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](F)[C@H](N)C1 ZINC000595907491 356700907 /nfs/dbraw/zinc/70/09/07/356700907.db2.gz VRXKEYHOUATISG-OASPWFOLSA-N 0 3 310.329 1.293 20 5 DDBDHN N[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595907501 356701133 /nfs/dbraw/zinc/70/11/33/356701133.db2.gz WBOYCXSEPOGKJV-CHWSQXEVSA-N 0 3 310.329 1.295 20 5 DDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])C1(NC2CC2)CCC1 ZINC000595939241 356714426 /nfs/dbraw/zinc/71/44/26/356714426.db2.gz HUQZSRCLOQRKQR-UHFFFAOYSA-N 0 3 303.362 1.928 20 5 DDBDHN Cc1cc(N(CCN(C)C)CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000596461621 356888456 /nfs/dbraw/zinc/88/84/56/356888456.db2.gz GZHLSDDRPONJGR-UHFFFAOYSA-N 0 3 308.382 1.359 20 5 DDBDHN CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000597945948 357394281 /nfs/dbraw/zinc/39/42/81/357394281.db2.gz KYAIOCCKIRDARM-ZDUSSCGKSA-N 0 3 321.377 1.916 20 5 DDBDHN CCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@@H]1CCN(CC)C1 ZINC000598041818 357439684 /nfs/dbraw/zinc/43/96/84/357439684.db2.gz NKCTVYMJVXRVRV-LLVKDONJSA-N 0 3 309.370 1.193 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000598220003 357497438 /nfs/dbraw/zinc/49/74/38/357497438.db2.gz NFWKKIKPUQUAJA-LLVKDONJSA-N 0 3 321.381 1.465 20 5 DDBDHN CC[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000598536858 357624888 /nfs/dbraw/zinc/62/48/88/357624888.db2.gz ZYOVOJXCCSEGOV-NWDGAFQWSA-N 0 3 307.350 1.573 20 5 DDBDHN NC(=O)[C@@H]1CCCN1CCCNCc1ccc([N+](=O)[O-])cc1 ZINC000598990166 357785470 /nfs/dbraw/zinc/78/54/70/357785470.db2.gz ITNGYXMCYNJBJL-AWEZNQCLSA-N 0 3 306.366 1.024 20 5 DDBDHN CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)C1CCN(C)CC1 ZINC000599986429 358096551 /nfs/dbraw/zinc/09/65/51/358096551.db2.gz RJSVZSSUONSOAR-UHFFFAOYSA-N 0 3 309.370 1.042 20 5 DDBDHN O=C(NC[C@@H]1CCN1C1CCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000600228808 358163254 /nfs/dbraw/zinc/16/32/54/358163254.db2.gz FQVFCKDQQLXMGG-NSHDSACASA-N 0 3 307.354 1.455 20 5 DDBDHN C[C@@H](NCCN1C(=O)NC(C)(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180404563 199154474 /nfs/dbraw/zinc/15/44/74/199154474.db2.gz TYULPZDQBYXWGJ-SNVBAGLBSA-N 0 3 320.349 1.576 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600694605 358284875 /nfs/dbraw/zinc/28/48/75/358284875.db2.gz JZBAJWASLKPXID-VIFPVBQESA-N 0 3 307.306 1.148 20 5 DDBDHN Cc1cn(C[C@]2(O)CCN(Cc3ccccc3)C2)nc1[N+](=O)[O-] ZINC000601956009 358752341 /nfs/dbraw/zinc/75/23/41/358752341.db2.gz CUHUQJRFIBYCII-INIZCTEOSA-N 0 3 316.361 1.737 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3ccno3)CC2)cn1 ZINC000602608648 359070456 /nfs/dbraw/zinc/07/04/56/359070456.db2.gz UYSUKGHZUPYGPO-UHFFFAOYSA-N 0 3 303.322 1.736 20 5 DDBDHN Cn1cc(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])n1 ZINC000602837062 359228029 /nfs/dbraw/zinc/22/80/29/359228029.db2.gz SSLCJSSRUCPKKP-BFHYXJOUSA-N 0 3 308.382 1.844 20 5 DDBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602820572 359215928 /nfs/dbraw/zinc/21/59/28/359215928.db2.gz GTRVUIILGWYCTH-LBPRGKRZSA-N 0 3 323.397 1.013 20 5 DDBDHN CN(CCN(C)C1CC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000186776642 200008258 /nfs/dbraw/zinc/00/82/58/200008258.db2.gz UTJPAYKJUOKOTB-UHFFFAOYSA-N 0 3 322.321 1.669 20 5 DDBDHN CCn1cnnc1CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000609851495 360356281 /nfs/dbraw/zinc/35/62/81/360356281.db2.gz QCTPVJNMLPPTSL-UHFFFAOYSA-N 0 3 305.338 1.547 20 5 DDBDHN Nc1c(C(=O)N[C@@H]2CCN(CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000610522707 360460865 /nfs/dbraw/zinc/46/08/65/360460865.db2.gz RHCFFBOTYLBCPH-LLVKDONJSA-N 0 3 304.350 1.391 20 5 DDBDHN CCOC(=O)CCC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000610996018 360595031 /nfs/dbraw/zinc/59/50/31/360595031.db2.gz NJQVSCSVXCHQJC-UHFFFAOYSA-N 0 3 324.381 1.847 20 5 DDBDHN CN(C(=O)CNC1(CO)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000611463114 360724416 /nfs/dbraw/zinc/72/44/16/360724416.db2.gz WVPKUJPXKOYKAH-UHFFFAOYSA-N 0 3 321.377 1.842 20 5 DDBDHN CCO[C@H]1COCC[C@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000362019181 299985946 /nfs/dbraw/zinc/98/59/46/299985946.db2.gz UPROJUMDANSDQS-CABCVRRESA-N 0 3 310.350 1.757 20 5 DDBDHN COc1cc(N2CCN(CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000275457183 212347350 /nfs/dbraw/zinc/34/73/50/212347350.db2.gz HHUPTGOQJMQTIH-LBPRGKRZSA-N 0 3 323.393 1.885 20 5 DDBDHN C[C@@H]1CN(CCN(C)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000282538873 217072647 /nfs/dbraw/zinc/07/26/47/217072647.db2.gz VWWODLAKRZJBRA-CQSZACIVSA-N 0 3 307.394 1.790 20 5 DDBDHN CCN1CCCC[C@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000267514991 206117881 /nfs/dbraw/zinc/11/78/81/206117881.db2.gz JZQMYRUNRYZSAO-LBPRGKRZSA-N 0 3 306.366 1.980 20 5 DDBDHN C[C@H](CO)[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000274125281 211377707 /nfs/dbraw/zinc/37/77/07/211377707.db2.gz XNRVQAJXJBXDSL-BDAKNGLRSA-N 0 3 315.757 1.793 20 5 DDBDHN COc1ccc(NC(=O)CN[C@H](C)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000274084194 211340214 /nfs/dbraw/zinc/34/02/14/211340214.db2.gz SOMHRNSMYCITHP-VHSXEESVSA-N 0 3 311.338 1.148 20 5 DDBDHN Cc1ccc(CN2CCN(C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000284432067 218025113 /nfs/dbraw/zinc/02/51/13/218025113.db2.gz SBADETLVKFJRMB-KBPBESRZSA-N 0 3 307.394 1.790 20 5 DDBDHN CN1C[C@H](N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000268863047 207030401 /nfs/dbraw/zinc/03/04/01/207030401.db2.gz RVQXHFSIBMMEQM-ZIAGYGMSSA-N 0 3 303.362 1.736 20 5 DDBDHN CCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000110997427 194379803 /nfs/dbraw/zinc/37/98/03/194379803.db2.gz DROLEYLIEPHDLP-LBPRGKRZSA-N 0 3 306.366 1.902 20 5 DDBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000340590703 251127412 /nfs/dbraw/zinc/12/74/12/251127412.db2.gz GIXNUUIIVGICJX-ZDUSSCGKSA-N 0 3 314.345 1.927 20 5 DDBDHN O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340590703 251127416 /nfs/dbraw/zinc/12/74/16/251127416.db2.gz GIXNUUIIVGICJX-ZDUSSCGKSA-N 0 3 314.345 1.927 20 5 DDBDHN O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340590703 251127419 /nfs/dbraw/zinc/12/74/19/251127419.db2.gz GIXNUUIIVGICJX-ZDUSSCGKSA-N 0 3 314.345 1.927 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CC(N)=O)C(C)C ZINC000063483184 184282949 /nfs/dbraw/zinc/28/29/49/184282949.db2.gz ILCSLNAYCMLVCJ-UHFFFAOYSA-N 0 3 322.365 1.428 20 5 DDBDHN CCCCN(C)CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352436694 285049679 /nfs/dbraw/zinc/04/96/79/285049679.db2.gz IVIPMDGUAWXOQP-UHFFFAOYSA-N 0 3 323.349 1.785 20 5 DDBDHN COc1ccc(OCCN(C)CC(C)(C)CO)c([N+](=O)[O-])c1 ZINC000451251777 533014563 /nfs/dbraw/zinc/01/45/63/533014563.db2.gz WFJJIYDBKWWKAD-UHFFFAOYSA-N 0 3 312.366 1.933 20 5 DDBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@H](CO)[C@@H]1CCCOC1 ZINC000414568978 224355246 /nfs/dbraw/zinc/35/52/46/224355246.db2.gz ZDXJJPZZOIKQIH-VNGFFZMTSA-N 0 3 306.362 1.985 20 5 DDBDHN Cc1n[nH]c(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000299529276 533667184 /nfs/dbraw/zinc/66/71/84/533667184.db2.gz LJMHPMTVSDYRGR-UWVGGRQHSA-N 0 3 309.370 1.477 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[NH2+]C1 ZINC000071397246 296499701 /nfs/dbraw/zinc/49/97/01/296499701.db2.gz YXTZSHCNLIKJOA-SECBINFHSA-N 0 3 319.770 1.279 20 5 DDBDHN CN(C)[C@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000128722541 407566429 /nfs/dbraw/zinc/56/64/29/407566429.db2.gz NLIUCLIELUIJEF-ZDUSSCGKSA-N 0 3 316.361 1.781 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCN[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000069144327 406685647 /nfs/dbraw/zinc/68/56/47/406685647.db2.gz WUHFMQRHNSDMTF-NSHDSACASA-N 0 3 314.363 1.140 20 5 DDBDHN CNCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000070303963 406814000 /nfs/dbraw/zinc/81/40/00/406814000.db2.gz REGGOWKJDGMBRO-UHFFFAOYSA-N 0 3 301.368 1.052 20 5 DDBDHN [NH3+]CCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000037714591 406992318 /nfs/dbraw/zinc/99/23/18/406992318.db2.gz XJGPQHZAENMQOG-UHFFFAOYSA-N 0 3 307.759 1.265 20 5 DDBDHN COCCN(C)CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000094092972 407203484 /nfs/dbraw/zinc/20/34/84/407203484.db2.gz QNIBGXHAXHSODY-UHFFFAOYSA-N 0 3 323.393 1.828 20 5 DDBDHN CC1CCN(CCNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000124654112 407365634 /nfs/dbraw/zinc/36/56/34/407365634.db2.gz UJGPZFZSUXEBAZ-UHFFFAOYSA-N 0 3 307.354 1.843 20 5 DDBDHN CN1CCN(C)[C@@H](CNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000218989491 407525558 /nfs/dbraw/zinc/52/55/58/407525558.db2.gz RSLZBGNXMYPYJE-ZDUSSCGKSA-N 0 3 312.801 1.584 20 5 DDBDHN CCN(CCNC(=O)NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000171157236 407614655 /nfs/dbraw/zinc/61/46/55/407614655.db2.gz GANBQKAXVOHQBM-UHFFFAOYSA-N 0 3 306.366 1.878 20 5 DDBDHN COC(=O)[C@H]1CC12CCN(CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000266919045 407674350 /nfs/dbraw/zinc/67/43/50/407674350.db2.gz HKMRFLAMLRCQEK-GFCCVEGCSA-N 0 3 308.338 1.066 20 5 DDBDHN Cc1nn(CCC(=O)NC[C@@H]2CCCN2C)c(C)c1[N+](=O)[O-] ZINC000171400807 407680862 /nfs/dbraw/zinc/68/08/62/407680862.db2.gz HWXXAUTWDDQSKM-LBPRGKRZSA-N 0 3 309.370 1.009 20 5 DDBDHN CCN1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000152821544 407698904 /nfs/dbraw/zinc/69/89/04/407698904.db2.gz XVMUNMUJUVJSFZ-LBPRGKRZSA-N 0 3 309.341 1.877 20 5 DDBDHN COCCNCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000152878013 407705700 /nfs/dbraw/zinc/70/57/00/407705700.db2.gz XBAKHLIMUAMGHC-UHFFFAOYSA-N 0 3 309.366 1.568 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1(O)CCN(C)CC1 ZINC000267105656 407750238 /nfs/dbraw/zinc/75/02/38/407750238.db2.gz MIIYKTQNHHDBQE-UHFFFAOYSA-N 0 3 307.350 1.090 20 5 DDBDHN CNC(=O)c1ccc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000133550519 407857636 /nfs/dbraw/zinc/85/76/36/407857636.db2.gz YXRJVUHWJAOUHU-ZYHUDNBSSA-N 0 3 318.377 1.992 20 5 DDBDHN CC(C)CN1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153681623 407878634 /nfs/dbraw/zinc/87/86/34/407878634.db2.gz RBKDXSDAIJZYCG-INIZCTEOSA-N 0 3 307.394 1.902 20 5 DDBDHN CN(CCOCC1CC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000268118590 407897909 /nfs/dbraw/zinc/89/79/09/407897909.db2.gz NKVCYIWJGIUSIX-HNNXBMFYSA-N 0 3 324.377 1.693 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000268248141 407967529 /nfs/dbraw/zinc/96/75/29/407967529.db2.gz WKVDDGCYFPWOSJ-IAQYHMDHSA-N 0 3 303.362 1.736 20 5 DDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000189431028 408014809 /nfs/dbraw/zinc/01/48/09/408014809.db2.gz HBKFPJNVPUCTFB-CQSZACIVSA-N 0 3 321.421 1.914 20 5 DDBDHN COC[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000136650444 408116563 /nfs/dbraw/zinc/11/65/63/408116563.db2.gz SMHOVADPEDMQJX-QMTHXVAHSA-N 0 3 307.350 1.936 20 5 DDBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000246726278 408324912 /nfs/dbraw/zinc/32/49/12/408324912.db2.gz AHUMEXGWCLDOTE-BXKDBHETSA-N 0 3 324.356 1.775 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269432753 408307891 /nfs/dbraw/zinc/30/78/91/408307891.db2.gz CIWNUFWVEGQKAL-ONGXEEELSA-N 0 3 321.381 1.654 20 5 DDBDHN CC(C)(C)CCN1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176215251 408311515 /nfs/dbraw/zinc/31/15/15/408311515.db2.gz WOZNAAHXUHWUSO-UHFFFAOYSA-N 0 3 309.414 1.845 20 5 DDBDHN COc1ccc(OCCN2CC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183197074 408348932 /nfs/dbraw/zinc/34/89/32/408348932.db2.gz MVDYXJUNXOXCFN-VXGBXAGGSA-N 0 3 310.350 1.685 20 5 DDBDHN CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)N(C)C ZINC000191618904 408456863 /nfs/dbraw/zinc/45/68/63/408456863.db2.gz LXJNVPZLEVZGJX-GFCCVEGCSA-N 0 3 308.382 1.883 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000176935082 408479538 /nfs/dbraw/zinc/47/95/38/408479538.db2.gz WLBDONHHXDRCQM-ONGXEEELSA-N 0 3 309.370 1.339 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCCN(c3ccccn3)CC2)c1 ZINC000183822879 408496335 /nfs/dbraw/zinc/49/63/35/408496335.db2.gz TZTPTFSNRTYHRA-UHFFFAOYSA-N 0 3 316.365 1.399 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCC(C)(C)N1CCCCC1 ZINC000160311925 408470758 /nfs/dbraw/zinc/47/07/58/408470758.db2.gz LZJMLNDPTXBXTO-UHFFFAOYSA-N 0 3 309.370 1.323 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@](C)(O)C1 ZINC000177973288 408747441 /nfs/dbraw/zinc/74/74/41/408747441.db2.gz XSHDEPCOTZIPCC-HNNXBMFYSA-N 0 3 323.349 1.389 20 5 DDBDHN COc1ccc(NC(=O)CCN2CC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000177980357 408750724 /nfs/dbraw/zinc/75/07/24/408750724.db2.gz GQFVRRIOOBUKTL-HNNXBMFYSA-N 0 3 323.349 1.389 20 5 DDBDHN CCN(CC)CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000280914798 408857642 /nfs/dbraw/zinc/85/76/42/408857642.db2.gz FGOMLXUXMFDOCV-UHFFFAOYSA-N 0 3 305.338 1.997 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000194712306 163293874 /nfs/dbraw/zinc/29/38/74/163293874.db2.gz PJYZLSJTGKKXSW-LBPRGKRZSA-N 0 3 306.366 1.607 20 5 DDBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H](CO)[C@H]2CCOC2)c1 ZINC000280251334 409277881 /nfs/dbraw/zinc/27/78/81/409277881.db2.gz IXLWRYUFORINKF-CMPLNLGQSA-N 0 3 314.769 1.983 20 5 DDBDHN Cc1cc(OCC(=O)N2CCC[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000280468409 409317126 /nfs/dbraw/zinc/31/71/26/409317126.db2.gz GGIVHMDNFRIOPS-ZDUSSCGKSA-N 0 3 321.377 1.835 20 5 DDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN(CCCO)C1 ZINC000296075452 409421112 /nfs/dbraw/zinc/42/11/12/409421112.db2.gz CYMPETPSDHLOHQ-CYBMUJFWSA-N 0 3 322.365 1.563 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CCCCC3)C2)n1 ZINC000332183398 409955506 /nfs/dbraw/zinc/95/55/06/409955506.db2.gz VZENQYBWDKPBHP-GFCCVEGCSA-N 0 3 321.381 1.512 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CCN1C ZINC000357425035 410033628 /nfs/dbraw/zinc/03/36/28/410033628.db2.gz RNABGSZGIMXGOO-OLZOCXBDSA-N 0 3 321.377 1.963 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000332239812 410006733 /nfs/dbraw/zinc/00/67/33/410006733.db2.gz IOIPQZRZMLZKKB-UWVGGRQHSA-N 0 3 317.349 1.684 20 5 DDBDHN CNC(=O)NC(=O)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000298753733 410383350 /nfs/dbraw/zinc/38/33/50/410383350.db2.gz CLLLKMDTCPSKPZ-JTQLQIEISA-N 0 3 308.338 1.400 20 5 DDBDHN Cn1ccnc1[C@@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000343388002 410413997 /nfs/dbraw/zinc/41/39/97/410413997.db2.gz NOPCJOVYQIPIIY-ZIAGYGMSSA-N 0 3 302.334 1.948 20 5 DDBDHN C[C@@H]1CCN(C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358408007 410460823 /nfs/dbraw/zinc/46/08/23/410460823.db2.gz GOLHVTBXCIUCER-LLVKDONJSA-N 0 3 309.341 1.829 20 5 DDBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000352186865 410534773 /nfs/dbraw/zinc/53/47/73/410534773.db2.gz OJQDLPLIFVPMMG-KGLIPLIRSA-N 0 3 310.350 1.445 20 5 DDBDHN CCCc1n[nH]c(C(=O)NC[C@@H]2CCCN2CCC)c1[N+](=O)[O-] ZINC000343631477 410581959 /nfs/dbraw/zinc/58/19/59/410581959.db2.gz QSWQWNMAIKWAQM-NSHDSACASA-N 0 3 323.397 1.875 20 5 DDBDHN CC1CCN(CCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000299168643 410552489 /nfs/dbraw/zinc/55/24/89/410552489.db2.gz SCZMJYQGZWDDRO-UHFFFAOYSA-N 0 3 309.370 1.030 20 5 DDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@H]1N(C)C ZINC000330500930 410732194 /nfs/dbraw/zinc/73/21/94/410732194.db2.gz RWYCROKTSOGYGG-OLZOCXBDSA-N 0 3 324.406 1.416 20 5 DDBDHN CN1CC[C@@H]2[C@H](CCCN2c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000302709285 410849449 /nfs/dbraw/zinc/84/94/49/410849449.db2.gz DDRCDJFGXZZMDV-VXGBXAGGSA-N 0 3 316.365 1.558 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000330747785 410888548 /nfs/dbraw/zinc/88/85/48/410888548.db2.gz GMCYGFRXFPYEME-NWDGAFQWSA-N 0 3 324.406 1.295 20 5 DDBDHN COc1c(C(=O)N2CCC[C@H]2CN(C)C)cccc1[N+](=O)[O-] ZINC000331059666 410924062 /nfs/dbraw/zinc/92/40/62/410924062.db2.gz NDOVMWFIORWHIE-NSHDSACASA-N 0 3 307.350 1.770 20 5 DDBDHN CN1CCC[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000580709584 422949334 /nfs/dbraw/zinc/94/93/34/422949334.db2.gz GUASUWHLZAMMPV-LBPRGKRZSA-N 0 3 320.349 1.134 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000417188105 225236919 /nfs/dbraw/zinc/23/69/19/225236919.db2.gz VLALHJLEJXCORB-GHMZBOCLSA-N 0 3 322.365 1.495 20 5 DDBDHN Cc1c(NC(=O)C(=O)NCC2(N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000419821950 226383850 /nfs/dbraw/zinc/38/38/50/226383850.db2.gz WAEPGRBGTMARFW-UHFFFAOYSA-N 0 3 320.349 1.052 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCC[C@@H]1CO ZINC000194361042 418543296 /nfs/dbraw/zinc/54/32/96/418543296.db2.gz BZMPORYJMHIJSV-OLZOCXBDSA-N 0 3 310.350 1.181 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000375053879 418596029 /nfs/dbraw/zinc/59/60/29/418596029.db2.gz IJANSJJBAVLURK-SMDDNHRTSA-N 0 3 319.361 1.770 20 5 DDBDHN C[C@H]1CN(C)C[C@H]1c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000361262702 418614644 /nfs/dbraw/zinc/61/46/44/418614644.db2.gz OOIHAIMKVUPMRK-JOYOIKCWSA-N 0 3 303.322 1.629 20 5 DDBDHN COc1ccc(OCCN2CC[C@H](CC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000367982415 418668069 /nfs/dbraw/zinc/66/80/69/418668069.db2.gz JEHRQCUPTWCVQO-LLVKDONJSA-N 0 3 323.349 1.180 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C[C@@H]21 ZINC000408465702 418804083 /nfs/dbraw/zinc/80/40/83/418804083.db2.gz KQRUTQQRNIPUHA-YGRLFVJLSA-N 0 3 314.345 1.852 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1NCCCC1(C)C ZINC000423067526 227334357 /nfs/dbraw/zinc/33/43/57/227334357.db2.gz ZMQKOXFTVQYDSP-AWEZNQCLSA-N 0 3 321.377 1.998 20 5 DDBDHN CNC(=O)[C@H](C)N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000426341282 419440323 /nfs/dbraw/zinc/44/03/23/419440323.db2.gz AVJRMKKUFWMPIA-UWVGGRQHSA-N 0 3 308.338 1.036 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000426884616 419565736 /nfs/dbraw/zinc/56/57/36/419565736.db2.gz YWVACVDUXKFUDI-GFCCVEGCSA-N 0 3 307.350 1.818 20 5 DDBDHN Cc1nc([C@H]2CCN(CCOc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000412023010 419570830 /nfs/dbraw/zinc/57/08/30/419570830.db2.gz BMFQKNTXCICOJY-LBPRGKRZSA-N 0 3 317.349 1.890 20 5 DDBDHN Cc1n[nH]c([C@H]2CCN(CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000412023010 419570834 /nfs/dbraw/zinc/57/08/34/419570834.db2.gz BMFQKNTXCICOJY-LBPRGKRZSA-N 0 3 317.349 1.890 20 5 DDBDHN Cc1nnc([C@H]2CCN(CCOc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000412023010 419570839 /nfs/dbraw/zinc/57/08/39/419570839.db2.gz BMFQKNTXCICOJY-LBPRGKRZSA-N 0 3 317.349 1.890 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCCN2C)c1 ZINC000421706658 419692369 /nfs/dbraw/zinc/69/23/69/419692369.db2.gz VKMUPIMSJYAIFF-NSHDSACASA-N 0 3 307.350 1.770 20 5 DDBDHN NC(C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000423851420 420225902 /nfs/dbraw/zinc/22/59/02/420225902.db2.gz SBPUAERVWMOGOU-QMMMGPOBSA-N 0 3 311.647 1.754 20 5 DDBDHN Cc1c(NC(=O)[C@H](C)N2CCN[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000420339938 420219676 /nfs/dbraw/zinc/21/96/76/420219676.db2.gz RPSWZPRFZQSXTR-JQWIXIFHSA-N 0 3 306.366 1.524 20 5 DDBDHN CSc1ccc(C(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423989778 420292781 /nfs/dbraw/zinc/29/27/81/420292781.db2.gz ISWPADOUXIWFHK-JTQLQIEISA-N 0 3 311.363 1.035 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN1CCCO ZINC000452784242 420661619 /nfs/dbraw/zinc/66/16/19/420661619.db2.gz OETKDMTYJDSHDZ-CYBMUJFWSA-N 0 3 321.377 1.480 20 5 DDBDHN CC[C@H](N[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(=O)NC ZINC000453408660 420724329 /nfs/dbraw/zinc/72/43/29/420724329.db2.gz QQJWYKVQPJGTJV-SRVKXCTJSA-N 0 3 309.370 1.389 20 5 DDBDHN Cc1ccc(CNC[C@@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000449387359 421002577 /nfs/dbraw/zinc/00/25/77/421002577.db2.gz LDVDOKAWWRTBAU-HNNXBMFYSA-N 0 3 307.394 1.840 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[C@H](C(N)=O)C1 ZINC000449747228 421074144 /nfs/dbraw/zinc/07/41/44/421074144.db2.gz WEAMQRJZGPDAFW-CMPLNLGQSA-N 0 3 307.350 1.737 20 5 DDBDHN C[C@]1(CO)CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000546104471 421284545 /nfs/dbraw/zinc/28/45/45/421284545.db2.gz KHFGXGRUUMSMHX-UKRRQHHQSA-N 0 3 310.350 1.181 20 5 DDBDHN CN1CC[C@]2(CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000562351221 421355031 /nfs/dbraw/zinc/35/50/31/421355031.db2.gz SBNFYAHJSSFMEV-INIZCTEOSA-N 0 3 318.377 1.832 20 5 DDBDHN C[C@H](O)[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000543141264 421834136 /nfs/dbraw/zinc/83/41/36/421834136.db2.gz USEHCVPIPDLEBB-IHRRRGAJSA-N 0 3 324.377 1.427 20 5 DDBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000581297517 421942393 /nfs/dbraw/zinc/94/23/93/421942393.db2.gz UAWSPTVFDZKEPS-STQMWFEESA-N 0 3 324.356 1.818 20 5 DDBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000594282473 422345007 /nfs/dbraw/zinc/34/50/07/422345007.db2.gz QGZDBNIXYIOQPE-PHIMTYICSA-N 0 3 321.381 1.565 20 5 DDBDHN Nc1ccc(NC[C@H]2CCN2Cc2ccccc2)nc1[N+](=O)[O-] ZINC000596559443 422379980 /nfs/dbraw/zinc/37/99/80/422379980.db2.gz YPNIWIAOKYUXQH-CYBMUJFWSA-N 0 3 313.361 2.258 20 5 DDBDHN CNc1ccc(C(=O)N2CCC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000316314263 271016422 /nfs/dbraw/zinc/01/64/22/271016422.db2.gz KTQQFMPPLUUZLM-LBPRGKRZSA-N 0 3 306.366 1.803 20 5 DDBDHN COc1cc(CN[C@@H]2CCC(=O)N[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000342053283 271283558 /nfs/dbraw/zinc/28/35/58/271283558.db2.gz WFYXPUPVKGMKNU-MLGOLLRUSA-N 0 3 319.361 1.750 20 5 DDBDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000345923100 272365765 /nfs/dbraw/zinc/36/57/65/272365765.db2.gz QJPUVYDDXVDPQP-BETUJISGSA-N 0 3 320.393 1.996 20 5 DDBDHN CN(C)C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CCO1 ZINC000450321887 273799402 /nfs/dbraw/zinc/79/94/02/273799402.db2.gz VTMABRBLIDNMLW-GFCCVEGCSA-N 0 3 316.361 1.910 20 5 DDBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1N(C)C ZINC000271019443 278165350 /nfs/dbraw/zinc/16/53/50/278165350.db2.gz HTLVLBULCOQFDK-WPRPVWTQSA-N 0 3 315.420 1.774 20 5 DDBDHN C[C@@H](NCCCN1CCC[C@@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000268966066 278345202 /nfs/dbraw/zinc/34/52/02/278345202.db2.gz YMDCZEFZDXGTBS-IUODEOHRSA-N 0 3 320.393 1.585 20 5 DDBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408121487 280115340 /nfs/dbraw/zinc/11/53/40/280115340.db2.gz ODBQZITVONVRHH-WDEREUQCSA-N 0 3 307.354 1.027 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H](C)[NH3+])c1C ZINC000178914743 281015827 /nfs/dbraw/zinc/01/58/27/281015827.db2.gz AGBISDIDXJMKCX-VIFPVBQESA-N 0 3 301.368 1.227 20 5 DDBDHN CNc1c(C(=O)N2CC[C@@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000322068697 298259672 /nfs/dbraw/zinc/25/96/72/298259672.db2.gz WIDLFFWMHAHJKK-GFCCVEGCSA-N 0 3 318.377 1.947 20 5 DDBDHN NC(=O)c1ccc(CN2CCC[C@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000362454460 300067557 /nfs/dbraw/zinc/06/75/57/300067557.db2.gz QNQJGKAMIONJMU-KBPBESRZSA-N 0 3 319.361 1.695 20 5 DDBDHN CN1C[C@@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]2C1 ZINC000362663733 300113112 /nfs/dbraw/zinc/11/31/12/300113112.db2.gz LTNMMIIVEMAHKZ-VXGBXAGGSA-N 0 3 315.333 1.643 20 5 DDBDHN Cc1c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000363689699 300296325 /nfs/dbraw/zinc/29/63/25/300296325.db2.gz GWNPRVCFQTYLCF-QWHCGFSZSA-N 0 3 319.361 1.496 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCOCC3(CCCC3)C2)c1 ZINC000364322098 300375898 /nfs/dbraw/zinc/37/58/98/300375898.db2.gz DOKOMUQWSWULDN-CQSZACIVSA-N 0 3 324.381 1.045 20 5 DDBDHN O=[N+]([O-])c1cccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000369234878 301147566 /nfs/dbraw/zinc/14/75/66/301147566.db2.gz GCSQBHFHGIFESZ-HOTGVXAUSA-N 0 3 305.378 1.626 20 5 DDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCc3c[nH]nc3C2)c([N+](=O)[O-])c1 ZINC000369326964 301165043 /nfs/dbraw/zinc/16/50/43/301165043.db2.gz MWAVGBSZASRDSF-NSHDSACASA-N 0 3 317.305 1.873 20 5 DDBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000375901063 302013272 /nfs/dbraw/zinc/01/32/72/302013272.db2.gz LCRMPXIPYXJENA-AAEUAGOBSA-N 0 3 304.350 1.689 20 5 DDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc2c1CNCC2 ZINC000375986408 302019422 /nfs/dbraw/zinc/01/94/22/302019422.db2.gz DNAIEJASAQPIGY-UHFFFAOYSA-N 0 3 301.306 1.076 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000375994947 302021190 /nfs/dbraw/zinc/02/11/90/302021190.db2.gz OJLALPCUDGNNMF-BZPMIXESSA-N 0 3 308.382 1.844 20 5 DDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000377510191 302187498 /nfs/dbraw/zinc/18/74/98/302187498.db2.gz FKHBQBSVJBESCW-RYUDHWBXSA-N 0 3 323.324 1.327 20 5 DDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000515320427 302772179 /nfs/dbraw/zinc/77/21/79/302772179.db2.gz OWPDMEDIBZKLMK-AAEUAGOBSA-N 0 3 306.366 1.632 20 5 DDBDHN C[C@H](NC[C@@H](O)COC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000519635713 302845821 /nfs/dbraw/zinc/84/58/21/302845821.db2.gz COHKRLRGUDJPNG-SWLSCSKDSA-N 0 3 324.377 1.802 20 5 DDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357526112 306891640 /nfs/dbraw/zinc/89/16/40/306891640.db2.gz DPOVCGGZMFRUEN-JQWIXIFHSA-N 0 3 319.365 1.152 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000533226805 303313927 /nfs/dbraw/zinc/31/39/27/303313927.db2.gz MECGHNAZOORVMU-NSHDSACASA-N 0 3 321.381 1.752 20 5 DDBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H](O)CC(F)(F)F)CC2)n1 ZINC000369683550 307126721 /nfs/dbraw/zinc/12/67/21/307126721.db2.gz MQRGDGCYNWDLBA-SNVBAGLBSA-N 0 3 322.287 1.742 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(CCC3CCOCC3)CC2)cn1 ZINC000567446018 308080856 /nfs/dbraw/zinc/08/08/56/308080856.db2.gz QBDDUYZKLNMYJF-UHFFFAOYSA-N 0 3 320.393 1.929 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCCc3occc32)c1 ZINC000572952645 308228109 /nfs/dbraw/zinc/22/81/09/308228109.db2.gz BHSWZOSSEVAKCM-WCQYABFASA-N 0 3 306.322 1.412 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCCc3occc32)c1 ZINC000572952646 308228278 /nfs/dbraw/zinc/22/82/78/308228278.db2.gz BHSWZOSSEVAKCM-YPMHNXCESA-N 0 3 306.322 1.412 20 5 DDBDHN CN(C)C[C@@H](O)CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000584118271 331835757 /nfs/dbraw/zinc/83/57/57/331835757.db2.gz PHKUMBRGCQCDAC-RYUDHWBXSA-N 0 3 321.299 1.710 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H](n3cncn3)C2)c1 ZINC000372370476 483932479 /nfs/dbraw/zinc/93/24/79/483932479.db2.gz UBSAKUIZRVSRHK-KBPBESRZSA-N 0 3 303.322 1.167 20 5 DDBDHN Cc1nn(CN(C)C[C@H]2CCOC2)c2ncc([N+](=O)[O-])cc12 ZINC000749964589 700195451 /nfs/dbraw/zinc/19/54/51/700195451.db2.gz QJWJZPYRTNKTPX-LLVKDONJSA-N 0 3 305.338 1.574 20 5 DDBDHN CC(=O)NC[C@@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580555 698120525 /nfs/dbraw/zinc/12/05/25/698120525.db2.gz WJWWKQOYHIPELB-BBRMVZONSA-N 0 3 321.377 1.476 20 5 DDBDHN CC(C)(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000796583620 699941030 /nfs/dbraw/zinc/94/10/30/699941030.db2.gz GBSZSCBKEDUSJH-AWEZNQCLSA-N 0 3 321.377 1.619 20 5 DDBDHN COC(=O)/C=C\c1ccc(N[C@H](CO)CN(C)C)c([N+](=O)[O-])c1 ZINC000809341505 701659537 /nfs/dbraw/zinc/65/95/37/701659537.db2.gz SDYCSOQEHRRZKC-HWPRWLFBSA-N 0 3 323.349 1.115 20 5 DDBDHN COC(=O)/C=C/c1ccc(N[C@@H](CO)CN(C)C)c([N+](=O)[O-])c1 ZINC000809341504 701659570 /nfs/dbraw/zinc/65/95/70/701659570.db2.gz SDYCSOQEHRRZKC-HOSRBBHYSA-N 0 3 323.349 1.115 20 5 DDBDHN O=C1[C@H](N[C@H](CO)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000771812346 701332364 /nfs/dbraw/zinc/33/23/64/701332364.db2.gz HMLNNPYFCUEOOS-ZIAGYGMSSA-N 0 3 305.334 1.061 20 5 DDBDHN Cc1cccc([C@@H](CC(=O)OCC(C)[N+](=O)[O-])NC(N)=O)c1 ZINC000813102399 702291208 /nfs/dbraw/zinc/29/12/08/702291208.db2.gz QYDUGOPXSYZJOK-CMPLNLGQSA-N 0 3 309.322 1.303 20 5 DDBDHN CCCCC(=O)N1CSC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104038 702291955 /nfs/dbraw/zinc/29/19/55/702291955.db2.gz JCIGVXNRVZFWQM-UWVGGRQHSA-N 0 3 304.368 1.287 20 5 DDBDHN CC(COC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C)[N+](=O)[O-] ZINC000813106483 702293235 /nfs/dbraw/zinc/29/32/35/702293235.db2.gz DCZJXJPERAEBCL-ZJUUUORDSA-N 0 3 318.395 1.533 20 5 DDBDHN CC(C)C[C@H](C(=O)OCC(C)[N+](=O)[O-])N1CCCCC1=O ZINC000813106980 702294027 /nfs/dbraw/zinc/29/40/27/702294027.db2.gz JHLFOGOASNLATI-VXGBXAGGSA-N 0 3 300.355 1.622 20 5 DDBDHN CC(COC(=O)[C@H]1CSCN1C(=O)C1CCCC1)[N+](=O)[O-] ZINC000813108740 702295027 /nfs/dbraw/zinc/29/50/27/702295027.db2.gz AFGNUGVPJSOTNE-MWLCHTKSSA-N 0 3 316.379 1.287 20 5 DDBDHN CC(COC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)[N+](=O)[O-] ZINC000813109828 702296064 /nfs/dbraw/zinc/29/60/64/702296064.db2.gz PMKCFVKQUSTRRO-QJPTWQEYSA-N 0 3 323.349 1.517 20 5 DDBDHN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113944 702298897 /nfs/dbraw/zinc/29/88/97/702298897.db2.gz WTJWLKBJMDEEGR-IINYFYTJSA-N 0 3 306.318 1.168 20 5 DDBDHN CC[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000843116340 702822293 /nfs/dbraw/zinc/82/22/93/702822293.db2.gz WNFGJHJOFYIKAW-SRVKXCTJSA-N 0 3 304.293 1.622 20 5 DDBDHN CCn1cccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1=O ZINC000819272386 704098477 /nfs/dbraw/zinc/09/84/77/704098477.db2.gz UHUXVGDJQCGLSP-OAHLLOKOSA-N 0 3 317.345 1.600 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000859924851 705042932 /nfs/dbraw/zinc/04/29/32/705042932.db2.gz PRPXLECBBGWSOE-NUEKZKHPSA-N 0 3 306.362 1.723 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874836392 705193984 /nfs/dbraw/zinc/19/39/84/705193984.db2.gz CCQQCIVJAKQEKN-VXGBXAGGSA-N 0 3 321.381 1.579 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874836392 705193987 /nfs/dbraw/zinc/19/39/87/705193987.db2.gz CCQQCIVJAKQEKN-VXGBXAGGSA-N 0 3 321.381 1.579 20 5 DDBDHN CC(COC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1)[N+](=O)[O-] ZINC000860776144 705279262 /nfs/dbraw/zinc/27/92/62/705279262.db2.gz CCGVBWXJZCBYPJ-AAEUAGOBSA-N 0 3 306.318 1.357 20 5 DDBDHN CC(COC(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000860777153 705279865 /nfs/dbraw/zinc/27/98/65/705279865.db2.gz LIVASDCLDZCSPD-KOLCDFICSA-N 0 3 314.338 1.808 20 5 DDBDHN CC(COC(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21)[N+](=O)[O-] ZINC000860777573 705280259 /nfs/dbraw/zinc/28/02/59/705280259.db2.gz QSAWICMQTXXJBF-HTQZYQBOSA-N 0 3 321.255 1.988 20 5 DDBDHN COCCN1CC[C@@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865526844 706454869 /nfs/dbraw/zinc/45/48/69/706454869.db2.gz XBCURQBUPLKVAR-LLVKDONJSA-N 0 3 313.329 1.359 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000897222769 708260564 /nfs/dbraw/zinc/26/05/64/708260564.db2.gz XMKVGCYVANMTET-KBPBESRZSA-N 0 3 305.378 1.939 20 5 DDBDHN CN(CCO)CCN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000912606089 713045773 /nfs/dbraw/zinc/04/57/73/713045773.db2.gz KACSDRQYLZJXBE-UHFFFAOYSA-N 0 3 323.393 1.255 20 5 DDBDHN CN(CCO)CCN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000912608105 713047360 /nfs/dbraw/zinc/04/73/60/713047360.db2.gz QVZRMAATGMSDRJ-UHFFFAOYSA-N 0 3 315.757 1.244 20 5 DDBDHN CCN1CCCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)[C@H](C)C1 ZINC000910286379 709867009 /nfs/dbraw/zinc/86/70/09/709867009.db2.gz AANMWWMHJDDIEK-SNVBAGLBSA-N 0 3 309.370 1.193 20 5 DDBDHN COc1cc([N+](=O)[O-])cnc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000892144411 710379713 /nfs/dbraw/zinc/37/97/13/710379713.db2.gz OAHJCJKAVALSSE-PWSUYJOCSA-N 0 3 308.338 1.274 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1C ZINC000928446196 713199938 /nfs/dbraw/zinc/19/99/38/713199938.db2.gz VCVPHJQOJPNRSR-ZANVPECISA-N 0 3 302.334 1.899 20 5 DDBDHN COc1cc([C@@H](C)NC[C@]2(C)CCC(=O)N2)cc([N+](=O)[O-])c1 ZINC000903183439 711057481 /nfs/dbraw/zinc/05/74/81/711057481.db2.gz ONIQFVCFKANMNF-BMIGLBTASA-N 0 3 307.350 1.923 20 5 DDBDHN CCc1nn(C)c(NC[C@@H]2CCN2C2CCOCC2)c1[N+](=O)[O-] ZINC000896521584 711737668 /nfs/dbraw/zinc/73/76/68/711737668.db2.gz JZBBSBZQMRCDST-LBPRGKRZSA-N 0 3 323.397 1.556 20 5 DDBDHN CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](CNCC[N+](=O)[O-])O2 ZINC000905589761 712087761 /nfs/dbraw/zinc/08/77/61/712087761.db2.gz ATXNZEBCQPGBNV-MQYJIDSJSA-N 0 3 314.382 1.522 20 5 DDBDHN COc1ccc(CNC(=O)N[C@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000914300032 713372980 /nfs/dbraw/zinc/37/29/80/713372980.db2.gz HTEHOWVAIWSVAU-JQWIXIFHSA-N 0 3 322.365 1.495 20 5 DDBDHN C[C@@H](NC(C)(C)CO)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000916572821 713458611 /nfs/dbraw/zinc/45/86/11/713458611.db2.gz PHRNHZFNRISLBW-MRVPVSSYSA-N 0 3 315.757 1.936 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCNCc2cnc3n2CCOC3)cc1 ZINC000921722371 713854037 /nfs/dbraw/zinc/85/40/37/713854037.db2.gz UHJOBIAUYRZBDQ-UHFFFAOYSA-N 0 3 318.333 1.490 20 5 DDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000923275735 714293930 /nfs/dbraw/zinc/29/39/30/714293930.db2.gz UUKXBHMRMHRWMT-WDEREUQCSA-N 0 3 304.350 1.486 20 5 DDBDHN CCOC(=O)[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000932646327 714374138 /nfs/dbraw/zinc/37/41/38/714374138.db2.gz HWUZABZSHROYFM-GFCCVEGCSA-N 0 3 308.334 1.859 20 5 DDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924528850 714604610 /nfs/dbraw/zinc/60/46/10/714604610.db2.gz JXSAHGVFMDWRHL-GXSJLCMTSA-N 0 3 306.322 1.138 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](Cc3nccs3)C2)n1 ZINC000934335270 714797737 /nfs/dbraw/zinc/79/77/37/714797737.db2.gz ZRWIMXSLZADQFF-LLVKDONJSA-N 0 3 307.379 1.812 20 5 DDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N2Cc1ccsc1 ZINC001029304966 740550612 /nfs/dbraw/zinc/55/06/12/740550612.db2.gz PFMLRXLROBZSKL-XJFOESAGSA-N 0 3 321.402 1.589 20 5 DDBDHN CC(C)N(C)CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001095574722 750049015 /nfs/dbraw/zinc/04/90/15/750049015.db2.gz KWPFMWJYDIPAMT-UHFFFAOYSA-N 0 3 322.409 1.878 20 5 DDBDHN CC(C)N(C)CC(=O)NCCCN(C)c1ncccc1[N+](=O)[O-] ZINC001095574719 750049733 /nfs/dbraw/zinc/04/97/33/750049733.db2.gz KUMQAZAJSBPZKR-UHFFFAOYSA-N 0 3 323.397 1.273 20 5 DDBDHN O=[N+]([O-])C[C@H]1CC[C@H](NCc2ccn(CC(F)(F)F)n2)C1 ZINC001168997518 762169902 /nfs/dbraw/zinc/16/99/02/762169902.db2.gz CVQWEQHSABONMZ-UWVGGRQHSA-N 0 3 306.288 1.980 20 5 DDBDHN O=C(c1ccco1)N1CCCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169037076 762192716 /nfs/dbraw/zinc/19/27/16/762192716.db2.gz IOZMOAPQUFWNIL-ZIAGYGMSSA-N 0 3 321.377 1.873 20 5 DDBDHN COc1cc(N2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)ccn1 ZINC001169052520 762207911 /nfs/dbraw/zinc/20/79/11/762207911.db2.gz GWERHMZDROXNGH-ZIAGYGMSSA-N 0 3 320.393 1.658 20 5 DDBDHN NCc1cnnn1-c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001169310265 762358416 /nfs/dbraw/zinc/35/84/16/762358416.db2.gz SMUFQVMGUYCORT-UHFFFAOYSA-N 0 3 303.200 1.533 20 5 DDBDHN CCN(CC)CC(=O)N(C)CCCNc1ccc([N+](=O)[O-])cn1 ZINC001109452646 763722522 /nfs/dbraw/zinc/72/25/22/763722522.db2.gz ZIVSWIXRDDKLNF-UHFFFAOYSA-N 0 3 323.397 1.592 20 5 DDBDHN COC(=O)c1cc(N[C@H](C)[C@H]2CNCCO2)cc([N+](=O)[O-])c1 ZINC001170568801 768181262 /nfs/dbraw/zinc/18/12/62/768181262.db2.gz HMUPSJRCDAZYLG-NOZJJQNGSA-N 0 3 309.322 1.170 20 5 DDBDHN C[C@@H](Nc1ccc2nsnc2c1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170569545 768183199 /nfs/dbraw/zinc/18/31/99/768183199.db2.gz JOBMPRSXGLZGKS-GMSGAONNSA-N 0 3 309.351 1.388 20 5 DDBDHN C[C@@H](Nc1cc2c(c([N+](=O)[O-])c1)NN(C)C2)[C@@H]1CNCCO1 ZINC001170576445 768253586 /nfs/dbraw/zinc/25/35/86/768253586.db2.gz VFRXBHGFRWQNBP-RNCFNFMXSA-N 0 3 307.354 1.156 20 5 DDBDHN CCNC(=O)CN(C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907068 776917812 /nfs/dbraw/zinc/91/78/12/776917812.db2.gz CMEVWUXUCATIQF-CQSZACIVSA-N 0 3 305.378 1.910 20 5 DDBDHN CC[C@@](N)(CO)N[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173192859 777037361 /nfs/dbraw/zinc/03/73/61/777037361.db2.gz RPKAUCNWWRPPOZ-OTYXRUKQSA-N 0 3 315.345 1.320 20 5 DDBDHN CCN(C)C(C)(C)C(=O)N(C)CCNc1ccc([N+](=O)[O-])cn1 ZINC001101829026 777574498 /nfs/dbraw/zinc/57/44/98/777574498.db2.gz BGLLZTFOMXKLKQ-UHFFFAOYSA-N 0 3 323.397 1.590 20 5 DDBDHN Cc1ncc([N+](=O)[O-])c(N[C@H]2CCCC[C@@]23CNCCO3)n1 ZINC001155826827 862480719 /nfs/dbraw/zinc/48/07/19/862480719.db2.gz UTUVNXWXQSTNHO-GXTWGEPZSA-N 0 3 307.354 1.406 20 5 DDBDHN COc1ncnc(N[C@H]2CCCC[C@@]23CNCCO3)c1[N+](=O)[O-] ZINC001155826544 862481625 /nfs/dbraw/zinc/48/16/25/862481625.db2.gz LKZDMTIXAJUXLU-IINYFYTJSA-N 0 3 323.353 1.107 20 5 DDBDHN Cc1ccncc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125190459 859914745 /nfs/dbraw/zinc/91/47/45/859914745.db2.gz KAUWAKBNHTWFSA-UHFFFAOYSA-N 0 3 314.345 1.818 20 5 DDBDHN CN1CCN(C(C)(C)CNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001329978077 863990446 /nfs/dbraw/zinc/99/04/46/863990446.db2.gz ZXYAVTDNVQFVEQ-UHFFFAOYSA-N 0 3 309.370 1.133 20 5 DDBDHN C[C@@H](N)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001330980915 864751755 /nfs/dbraw/zinc/75/17/55/864751755.db2.gz DYBSNQGORFBCNB-ZCFIWIBFSA-N 0 3 302.128 1.321 20 5 DDBDHN C[C@H](Nc1ccc2ccc([N+](=O)[O-])cc2n1)[C@@H]1CNCCO1 ZINC001159499810 865354246 /nfs/dbraw/zinc/35/42/46/865354246.db2.gz VRFXRLTYBSYQKR-HZMBPMFUSA-N 0 3 302.334 1.932 20 5 DDBDHN COC(=O)c1ccnc(N[C@@]2(C)CCCN(C)C2)c1[N+](=O)[O-] ZINC001162338155 867468777 /nfs/dbraw/zinc/46/87/77/867468777.db2.gz XCWWSNHXPHFJFD-AWEZNQCLSA-N 0 3 308.338 1.673 20 5 DDBDHN O=[N+]([O-])c1cc(F)ccc1N1CC[C@H]2[C@H]1CCCN2CCO ZINC001335117119 868076257 /nfs/dbraw/zinc/07/62/57/868076257.db2.gz KNCAUYVTBUACJQ-QWHCGFSZSA-N 0 3 309.341 1.769 20 5 DDBDHN O=[N+]([O-])c1c(Cl)nc(Cl)nc1-n1cnc2c1CNCC2 ZINC001164313935 869118155 /nfs/dbraw/zinc/11/81/55/869118155.db2.gz XMNGXELHLTWVCV-UHFFFAOYSA-N 0 3 315.120 1.523 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H]2c3ccccc3C[C@@H]2O)c1 ZINC001336785428 869141277 /nfs/dbraw/zinc/14/12/77/869141277.db2.gz ZRZVUVYTTVLQAP-ULQDDVLXSA-N 0 3 314.341 1.876 20 5 DDBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@H]1CN2CCC1CC2 ZINC001337408883 869474925 /nfs/dbraw/zinc/47/49/25/869474925.db2.gz IZAXLTZMIGUIHK-AWEZNQCLSA-N 0 3 321.352 1.877 20 5 DDBDHN Cc1ncc([N+](=O)[O-])c(N2C[C@H]3c4ccccc4CN[C@@H]3C2)n1 ZINC001165352215 869540697 /nfs/dbraw/zinc/54/06/97/869540697.db2.gz SUARVFPDWUQPSB-UONOGXRCSA-N 0 3 311.345 1.769 20 5 DDBDHN CCn1c(C[N+](=O)[O-])nnc1N1CCN(C(C)(C)CC)CC1 ZINC001340993635 871457798 /nfs/dbraw/zinc/45/77/98/871457798.db2.gz RUOLWQNCXFRHJI-UHFFFAOYSA-N 0 3 310.402 1.385 20 5 DDBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001341027341 871475171 /nfs/dbraw/zinc/47/51/71/871475171.db2.gz HTSJEZOJTFEXRF-RWMBFGLXSA-N 0 3 320.393 1.628 20 5 DDBDHN CC(COC(=O)[C@@H]1CCN(Cc2ccccc2)C1=O)[N+](=O)[O-] ZINC001344996368 873214104 /nfs/dbraw/zinc/21/41/04/873214104.db2.gz DVKLRPXJESHXHL-WCQYABFASA-N 0 3 306.318 1.244 20 5 DDBDHN CCN1CCN(C2CN(c3ccc([N+](=O)[O-])c(C)c3)C2)CC1 ZINC001348337705 874497135 /nfs/dbraw/zinc/49/71/35/874497135.db2.gz ZIABAVSXIOEIOJ-UHFFFAOYSA-N 0 3 304.394 1.729 20 5 DDBDHN Nc1ncc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC001300131225 876970752 /nfs/dbraw/zinc/97/07/52/876970752.db2.gz ODWSCNNCXSVDSC-NWDGAFQWSA-N 0 3 319.365 1.319 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCC[C@]1(O)CCOC1 ZINC000404221986 877013407 /nfs/dbraw/zinc/01/34/07/877013407.db2.gz YOULSLXWPCMCSL-ZDUSSCGKSA-N 0 3 300.742 1.879 20 5 DDBDHN O=C(N[C@@H]1CN2CCC1CC2)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001358452813 880435038 /nfs/dbraw/zinc/43/50/38/880435038.db2.gz WIQQISMNYAKBCP-OAHLLOKOSA-N 0 3 314.345 1.900 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCOCC2)C1 ZINC001254562875 896502898 /nfs/dbraw/zinc/50/28/98/896502898.db2.gz QKPRWMRYZQAKBV-HOCLYGCPSA-N 0 3 319.405 1.932 20 5 DDBDHN COc1ccc(CN[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)nn1 ZINC001254576958 896511618 /nfs/dbraw/zinc/51/16/18/896511618.db2.gz BDQYLHSLBLGGAL-ZDUSSCGKSA-N 0 3 300.318 1.650 20 5 DDBDHN O=C1COC2(C1)CCN([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254592933 896521513 /nfs/dbraw/zinc/52/15/13/896521513.db2.gz HFSAJQNXQOOLDQ-OAHLLOKOSA-N 0 3 316.357 1.886 20 5 DDBDHN O=[N+]([O-])c1ncn(C[C@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000278579115 214252403 /nfs/dbraw/zinc/25/24/03/214252403.db2.gz OMOXBIAOEHRDTD-CQSZACIVSA-N 0 3 317.349 1.477 20 5 DDBDHN C[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCN(C)CC1 ZINC000278597606 214265020 /nfs/dbraw/zinc/26/50/20/214265020.db2.gz ZHXSCGHKCBHKLD-LLVKDONJSA-N 0 3 318.381 1.519 20 5 DDBDHN Cc1ccc([C@@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000304943457 230939604 /nfs/dbraw/zinc/93/96/04/230939604.db2.gz PRJJUTPYHUILFK-RISCZKNCSA-N 0 3 322.340 1.951 20 5 DDBDHN COC[C@@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000452028473 231274459 /nfs/dbraw/zinc/27/44/59/231274459.db2.gz HFXUIFUSYPTRKX-GJZGRUSLSA-N 0 3 324.377 1.835 20 5 DDBDHN O=C(NC[C@H]1CCCN1CCCO)c1csc([N+](=O)[O-])c1 ZINC000452348120 231355289 /nfs/dbraw/zinc/35/52/89/231355289.db2.gz KOINODGLXODLFB-LLVKDONJSA-N 0 3 313.379 1.233 20 5 DDBDHN O=C([C@H]1CCCCN1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000194281202 186276142 /nfs/dbraw/zinc/27/61/42/186276142.db2.gz PYTOSZMIMRUJBG-OAHLLOKOSA-N 0 3 318.377 1.386 20 5 DDBDHN CC[C@@H](CN1CCCC1)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000617407244 363090560 /nfs/dbraw/zinc/09/05/60/363090560.db2.gz OLBYEDWAWRMKTG-NSHDSACASA-N 0 3 309.370 1.415 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)n1 ZINC000331584523 233862378 /nfs/dbraw/zinc/86/23/78/233862378.db2.gz MXTZUVSNLJZRQY-RYUDHWBXSA-N 0 3 321.381 1.510 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(O)CC1 ZINC000026227980 352207266 /nfs/dbraw/zinc/20/72/66/352207266.db2.gz JRERWFOOHRRYER-UHFFFAOYSA-N 0 3 323.349 1.389 20 5 DDBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000032073248 352275304 /nfs/dbraw/zinc/27/53/04/352275304.db2.gz MFQLHKPYKNGJNZ-LLVKDONJSA-N 0 3 315.395 1.603 20 5 DDBDHN CNC(=O)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051505585 352588232 /nfs/dbraw/zinc/58/82/32/352588232.db2.gz YKNNHJYKFPWOFP-UHFFFAOYSA-N 0 3 307.350 1.432 20 5 DDBDHN CCN1CCC(NC(=O)CSc2ncccc2[N+](=O)[O-])CC1 ZINC000065693063 352958169 /nfs/dbraw/zinc/95/81/69/352958169.db2.gz OTPFWNZZEJPEQV-UHFFFAOYSA-N 0 3 324.406 1.682 20 5 DDBDHN CCN(CCO)CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617765323 363297233 /nfs/dbraw/zinc/29/72/33/363297233.db2.gz WDGNUOTXPCNLQC-LBPRGKRZSA-N 0 3 309.366 1.129 20 5 DDBDHN C[C@H](NC(=O)NC[C@@]1(O)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358668488 299218460 /nfs/dbraw/zinc/21/84/60/299218460.db2.gz XNRIFYZIDPGCGH-NHYWBVRUSA-N 0 3 322.365 1.022 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@@H]1C1(O)CC1 ZINC000590969160 355226058 /nfs/dbraw/zinc/22/60/58/355226058.db2.gz RZEYIOYMBFCNRZ-CYBMUJFWSA-N 0 3 307.350 1.136 20 5 DDBDHN CN1CC[C@@H](Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000592349567 355564408 /nfs/dbraw/zinc/56/44/08/355564408.db2.gz GKUGKDQXDGANSV-SNVBAGLBSA-N 0 3 304.306 1.363 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CNC(C)(C)CN(C)C)c1 ZINC000593033117 355775527 /nfs/dbraw/zinc/77/55/27/355775527.db2.gz JIAAFICAVXISRO-UHFFFAOYSA-N 0 3 309.366 1.811 20 5 DDBDHN COc1cccc(C(=O)N[C@@H](CN)C(F)(F)F)c1[N+](=O)[O-] ZINC000594451153 356221968 /nfs/dbraw/zinc/22/19/68/356221968.db2.gz MSVLBKFJWVSWSK-QMMMGPOBSA-N 0 3 307.228 1.223 20 5 DDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CN)C(F)(F)F ZINC000594451344 356222016 /nfs/dbraw/zinc/22/20/16/356222016.db2.gz ROEYNTWLVYUQSA-VIFPVBQESA-N 0 3 321.255 1.613 20 5 DDBDHN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000595121931 356385917 /nfs/dbraw/zinc/38/59/17/356385917.db2.gz OAUKCAOHUXRHLD-ZETCQYMHSA-N 0 3 307.759 1.134 20 5 DDBDHN O=C(C[C@H]1NCc2ccccc21)NCCn1cc([N+](=O)[O-])cn1 ZINC000595251865 356418514 /nfs/dbraw/zinc/41/85/14/356418514.db2.gz YNBBWEUNWZLROJ-CQSZACIVSA-N 0 3 315.333 1.142 20 5 DDBDHN CC(C)(CN1CCOCC1)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595542512 356540640 /nfs/dbraw/zinc/54/06/40/356540640.db2.gz GHTXYTWUUDQNNA-UHFFFAOYSA-N 0 3 311.357 1.934 20 5 DDBDHN Cc1c(NC(=O)[C@H](C)N2CC[C@@H](F)[C@H](N)C2)cccc1[N+](=O)[O-] ZINC000595906311 356700592 /nfs/dbraw/zinc/70/05/92/356700592.db2.gz JHROSMOHHHTELG-QJPTWQEYSA-N 0 3 324.356 1.601 20 5 DDBDHN NC(=O)c1cc(N2CCN(CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000596088563 356768197 /nfs/dbraw/zinc/76/81/97/356768197.db2.gz QBUKQVSBLKIBRG-UHFFFAOYSA-N 0 3 304.350 1.226 20 5 DDBDHN CN(C)C[C@@H](CO)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000596242940 356830693 /nfs/dbraw/zinc/83/06/93/356830693.db2.gz GNURUDXNVMQNKG-ZETCQYMHSA-N 0 3 308.260 1.343 20 5 DDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(CO)(CO)C1 ZINC000597218853 357098350 /nfs/dbraw/zinc/09/83/50/357098350.db2.gz LZYHZANPUFTNPA-QPEQYQDCSA-N 0 3 306.362 1.675 20 5 DDBDHN CC(=O)NCC[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000347670951 283250852 /nfs/dbraw/zinc/25/08/52/283250852.db2.gz YDJLZRQJVRLCTL-ZDUSSCGKSA-N 0 3 309.370 1.030 20 5 DDBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)CN(C)C ZINC000597653279 357270254 /nfs/dbraw/zinc/27/02/54/357270254.db2.gz IQQHRJJOVGIIGO-ZIAGYGMSSA-N 0 3 323.393 1.202 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000598343107 357545996 /nfs/dbraw/zinc/54/59/96/357545996.db2.gz SJZPIJJXQCXPCL-CYBMUJFWSA-N 0 3 321.377 1.964 20 5 DDBDHN COC(=O)c1ccnc(NC2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000598586428 357641583 /nfs/dbraw/zinc/64/15/83/357641583.db2.gz UQQARVQAWFKPHB-UHFFFAOYSA-N 0 3 320.349 1.815 20 5 DDBDHN CCCN1CC[C@@H](Nc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598632779 357662593 /nfs/dbraw/zinc/66/25/93/357662593.db2.gz AVHCHJVHDCCVPJ-SNVBAGLBSA-N 0 3 308.338 1.673 20 5 DDBDHN C[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598648527 357669349 /nfs/dbraw/zinc/66/93/49/357669349.db2.gz UCQWXYUOKGHQGN-MCIONIFRSA-N 0 3 324.377 1.285 20 5 DDBDHN CC1(C)CC[C@H](CO)N(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000598650038 357670080 /nfs/dbraw/zinc/67/00/80/357670080.db2.gz XLOPKFKOYCRIBN-CYBMUJFWSA-N 0 3 309.366 1.239 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[NH2+][C@H]2C)cc1C ZINC000599110390 357818277 /nfs/dbraw/zinc/81/82/77/357818277.db2.gz CPONHMWHSWPJRK-WDEREUQCSA-N 0 3 313.379 1.240 20 5 DDBDHN O=[N+]([O-])c1ccc(NCCN2CC[C@@H](O)C2)c2ncccc12 ZINC000599175935 357840369 /nfs/dbraw/zinc/84/03/69/357840369.db2.gz JYDFTLPBNNFGCO-LLVKDONJSA-N 0 3 302.334 1.622 20 5 DDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)CC1(O)CCC1 ZINC000599412154 357925675 /nfs/dbraw/zinc/92/56/75/357925675.db2.gz GIKYEOLAKLQVRX-AWEZNQCLSA-N 0 3 308.378 1.735 20 5 DDBDHN CN(C(=O)CN[C@H](CO)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000180619353 199185894 /nfs/dbraw/zinc/18/58/94/199185894.db2.gz COZSFCRNZFWXSK-CYBMUJFWSA-N 0 3 309.366 1.554 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000601957864 358752874 /nfs/dbraw/zinc/75/28/74/358752874.db2.gz KPTPRVJEWPQDPT-INIZCTEOSA-N 0 3 316.361 1.737 20 5 DDBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1OC ZINC000348154475 283393513 /nfs/dbraw/zinc/39/35/13/283393513.db2.gz WDBZPOIYIRJCJF-OLZOCXBDSA-N 0 3 307.350 1.608 20 5 DDBDHN Cc1nn(C)c(N2CCC(OCCN(C)C)CC2)c1[N+](=O)[O-] ZINC000358932093 299284740 /nfs/dbraw/zinc/28/47/40/299284740.db2.gz ZSUWZGTTWDVLOF-UHFFFAOYSA-N 0 3 311.386 1.184 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](n3ccnn3)CC2)n1 ZINC000602889806 359273040 /nfs/dbraw/zinc/27/30/40/359273040.db2.gz WAMAFVLVYFUWOO-LBPRGKRZSA-N 0 3 305.342 1.110 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCCN(C(C)C)CC1 ZINC000602955994 359320938 /nfs/dbraw/zinc/32/09/38/359320938.db2.gz GVVUUTUSBUQGLO-UHFFFAOYSA-N 0 3 321.381 1.668 20 5 DDBDHN C[C@H](N[C@H]1C[C@@H](O)C1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000565666775 304083109 /nfs/dbraw/zinc/08/31/09/304083109.db2.gz STZBYVURNRLREI-TVYUQYBPSA-N 0 3 307.350 1.671 20 5 DDBDHN CN(CCN(C)C1CC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000186779009 200009369 /nfs/dbraw/zinc/00/93/69/200009369.db2.gz AOLWBDWEVYZBSN-UHFFFAOYSA-N 0 3 307.350 1.526 20 5 DDBDHN C[C@@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000565700409 304084671 /nfs/dbraw/zinc/08/46/71/304084671.db2.gz XRNCUHJZTBMYQC-NSHDSACASA-N 0 3 310.354 1.223 20 5 DDBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])cn1C)Cc1ccccc1 ZINC000604300334 359733225 /nfs/dbraw/zinc/73/32/25/359733225.db2.gz WDOAGRRMZRCMTN-UHFFFAOYSA-N 0 3 316.361 1.795 20 5 DDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000237580220 202291370 /nfs/dbraw/zinc/29/13/70/202291370.db2.gz GJQPYLVMNOGMGN-QWHCGFSZSA-N 0 3 320.393 1.996 20 5 DDBDHN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCCN1CCCC1 ZINC000188211752 200209503 /nfs/dbraw/zinc/20/95/03/200209503.db2.gz WIEVIGWQPNRALE-UHFFFAOYSA-N 0 3 303.318 1.677 20 5 DDBDHN NC(=O)c1ccc(N2CC[C@@H](N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000609350841 360301348 /nfs/dbraw/zinc/30/13/48/360301348.db2.gz QCHWVEQRMJMWJY-CYBMUJFWSA-N 0 3 318.377 1.758 20 5 DDBDHN COc1ccc(CC(=O)N2CCC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000609213988 360273643 /nfs/dbraw/zinc/27/36/43/360273643.db2.gz NCDBNXDZWSWWOD-CYBMUJFWSA-N 0 3 321.377 1.699 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](C)N(C)C)c1 ZINC000281203525 216150591 /nfs/dbraw/zinc/15/05/91/216150591.db2.gz LBWVMPNCMVHERH-GFCCVEGCSA-N 0 3 309.366 1.738 20 5 DDBDHN COC[C@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610605354 360481406 /nfs/dbraw/zinc/48/14/06/360481406.db2.gz ZMHUPJLJGJBCGV-KGLIPLIRSA-N 0 3 310.350 1.445 20 5 DDBDHN O=C1C[C@H]2CC[C@@H](CN1)N2CCCOc1ccc([N+](=O)[O-])cc1 ZINC000610506737 360456488 /nfs/dbraw/zinc/45/64/88/360456488.db2.gz SUKMTCVEUGOQOL-KGLIPLIRSA-N 0 3 319.361 1.717 20 5 DDBDHN COc1ccc(CNC2(CCO)CCOCC2)cc1[N+](=O)[O-] ZINC000610771660 360534259 /nfs/dbraw/zinc/53/42/59/360534259.db2.gz PBCZABGEZRFYFZ-UHFFFAOYSA-N 0 3 310.350 1.625 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNCC1(CO)CCC1)OCCO2 ZINC000612204266 360941888 /nfs/dbraw/zinc/94/18/88/360941888.db2.gz TWNOLVIVNINCGG-UHFFFAOYSA-N 0 3 308.334 1.618 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000618923765 363803961 /nfs/dbraw/zinc/80/39/61/363803961.db2.gz KZPWZJGQZXZVBP-INIZCTEOSA-N 0 3 321.377 1.432 20 5 DDBDHN CC[C@@H]1CN(C)CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000619566960 364063804 /nfs/dbraw/zinc/06/38/04/364063804.db2.gz CVSMLBILXDBGDK-CYBMUJFWSA-N 0 3 321.377 1.916 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CCCN2C)c1 ZINC000281735322 216510210 /nfs/dbraw/zinc/51/02/10/216510210.db2.gz XUPJVOLNZOUNRI-ZDUSSCGKSA-N 0 3 321.377 1.883 20 5 DDBDHN O=C(N[C@H]1CNCCC1(F)F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000423693383 284245631 /nfs/dbraw/zinc/24/56/31/284245631.db2.gz GVCRLRWINOMJNG-VIFPVBQESA-N 0 3 319.695 1.975 20 5 DDBDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000266268659 205227049 /nfs/dbraw/zinc/22/70/49/205227049.db2.gz AZILPVGSHVAWJW-GRYCIOLGSA-N 0 3 307.350 1.936 20 5 DDBDHN C[C@]1(CO)CCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000351523503 284361132 /nfs/dbraw/zinc/36/11/32/284361132.db2.gz LVRGDMVLICARAH-UKRRQHHQSA-N 0 3 307.350 1.334 20 5 DDBDHN COc1cccc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000334103050 249215193 /nfs/dbraw/zinc/21/51/93/249215193.db2.gz IAGMSTNGCWECQK-QWRGUYRKSA-N 0 3 307.350 1.816 20 5 DDBDHN Cc1cc(NC[C@H]2COCCO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000336860669 249268758 /nfs/dbraw/zinc/26/87/58/249268758.db2.gz UBDYBYQKASALJI-LBPRGKRZSA-N 0 3 303.318 1.701 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H]2CCN(C)C[C@H]21 ZINC000284715652 218146070 /nfs/dbraw/zinc/14/60/70/218146070.db2.gz ULZRFXDBGTWFQS-HZPDHXFCSA-N 0 3 305.378 1.808 20 5 DDBDHN Cc1c(NC(=O)[C@@H](C)NCCn2cccn2)cccc1[N+](=O)[O-] ZINC000112548226 194484642 /nfs/dbraw/zinc/48/46/42/194484642.db2.gz ZPGRFFFZNMNZAL-GFCCVEGCSA-N 0 3 317.349 1.717 20 5 DDBDHN CN(CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000352662458 285206118 /nfs/dbraw/zinc/20/61/18/285206118.db2.gz ACFKPKYRLCRANP-UHFFFAOYSA-N 0 3 321.381 1.400 20 5 DDBDHN COC[C@@](C)(CC(=O)OC)NCCc1ccc([N+](=O)[O-])cc1 ZINC000428769659 285314823 /nfs/dbraw/zinc/31/48/23/285314823.db2.gz QTDKTVDUGCYEAQ-OAHLLOKOSA-N 0 3 310.350 1.695 20 5 DDBDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414666860 224370117 /nfs/dbraw/zinc/37/01/17/224370117.db2.gz WYBHRPPZINGZNI-BXKDBHETSA-N 0 3 308.338 1.829 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@](C)(CO)C(C)C ZINC000352893057 285367232 /nfs/dbraw/zinc/36/72/32/285367232.db2.gz NNZINIIEZMEYJC-HNNXBMFYSA-N 0 3 309.366 1.838 20 5 DDBDHN C[C@@H](N[C@@H]1COCC1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451807305 533527922 /nfs/dbraw/zinc/52/79/22/533527922.db2.gz GPHIZSWFNGDIKB-ZWNOBZJWSA-N 0 3 307.350 1.936 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000568700184 304306397 /nfs/dbraw/zinc/30/63/97/304306397.db2.gz MHKPWOSIWYCFJV-UHFFFAOYSA-N 0 3 308.382 1.785 20 5 DDBDHN COc1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cc1[N+](=O)[O-] ZINC000073996089 406899665 /nfs/dbraw/zinc/89/96/65/406899665.db2.gz DRDMZFMXXVAUEF-QWHCGFSZSA-N 0 3 319.361 1.912 20 5 DDBDHN COCCN1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000078644202 407038545 /nfs/dbraw/zinc/03/85/45/407038545.db2.gz YCOCNYWGLCMUSA-CQSZACIVSA-N 0 3 322.365 1.827 20 5 DDBDHN C[C@@H](NC[C@H](C)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000180438395 306694855 /nfs/dbraw/zinc/69/48/55/306694855.db2.gz CLCDQUCPVLTIQT-WDEREUQCSA-N 0 3 300.380 1.926 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000123492972 407330207 /nfs/dbraw/zinc/33/02/07/407330207.db2.gz CFWJLSFMUFSWES-PWSUYJOCSA-N 0 3 309.370 1.041 20 5 DDBDHN CN(C)[C@@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000067044585 407266398 /nfs/dbraw/zinc/26/63/98/407266398.db2.gz HUFPOGDJLPGIMA-CYBMUJFWSA-N 0 3 321.377 1.916 20 5 DDBDHN C[C@@]1(O)CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000124481186 407359824 /nfs/dbraw/zinc/35/98/24/407359824.db2.gz DBZZVXKEZWXKQB-DZGCQCFKSA-N 0 3 310.350 1.181 20 5 DDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@H](N2CCCCC2)C1 ZINC000107628481 407376825 /nfs/dbraw/zinc/37/68/25/407376825.db2.gz NITPQRRINUPAJJ-CYBMUJFWSA-N 0 3 321.381 1.268 20 5 DDBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)CN1C1CC1 ZINC000133535997 407856253 /nfs/dbraw/zinc/85/62/53/407856253.db2.gz DVHHENDGNCALHP-DTWKUNHWSA-N 0 3 305.338 1.126 20 5 DDBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc([S@@](C)=O)cc1 ZINC000273021379 408021592 /nfs/dbraw/zinc/02/15/92/408021592.db2.gz SDAHYZZNKSPAQE-KPWVOAKYSA-N 0 3 322.390 1.880 20 5 DDBDHN CC(C)N1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000158853369 408364780 /nfs/dbraw/zinc/36/47/80/408364780.db2.gz PRPHRYSDOXCDLX-AAEUAGOBSA-N 0 3 323.397 1.371 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160555623 408494267 /nfs/dbraw/zinc/49/42/67/408494267.db2.gz TWRVFZJTUDOVHN-ZDUSSCGKSA-N 0 3 321.377 1.480 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC2CCN(C)CC2)n1 ZINC000191802749 408495886 /nfs/dbraw/zinc/49/58/86/408495886.db2.gz ZOHOWQYDZBPQOP-UHFFFAOYSA-N 0 3 309.370 1.225 20 5 DDBDHN Cc1ccc(C(=O)NCC2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000160676052 408511323 /nfs/dbraw/zinc/51/13/23/408511323.db2.gz ILJPPYLEQAWMKC-UHFFFAOYSA-N 0 3 321.377 1.337 20 5 DDBDHN COCC1(O)CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000270392898 408515283 /nfs/dbraw/zinc/51/52/83/408515283.db2.gz SWFAHANYISLZHM-UHFFFAOYSA-N 0 3 310.350 1.447 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(c2ncc[nH]2)CC1 ZINC000270477151 408544651 /nfs/dbraw/zinc/54/46/51/408544651.db2.gz DSXNXIPBRBYBQI-UHFFFAOYSA-N 0 3 317.349 1.359 20 5 DDBDHN CCOC[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248450127 408568482 /nfs/dbraw/zinc/56/84/82/408568482.db2.gz ILUOZQZLESQXEL-UONOGXRCSA-N 0 3 324.377 1.693 20 5 DDBDHN CCN1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000270594450 408595880 /nfs/dbraw/zinc/59/58/80/408595880.db2.gz YRQLOPYVVBJRBC-UHFFFAOYSA-N 0 3 320.393 1.875 20 5 DDBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184458914 408622364 /nfs/dbraw/zinc/62/23/64/408622364.db2.gz QZKNUEHXTUHXSL-SNVBAGLBSA-N 0 3 307.354 1.176 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN1CCCCC1 ZINC000192777578 408647664 /nfs/dbraw/zinc/64/76/64/408647664.db2.gz JEGQJXVINRUCSG-LLVKDONJSA-N 0 3 306.366 1.902 20 5 DDBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270761446 408669533 /nfs/dbraw/zinc/66/95/33/408669533.db2.gz MTKAFFZOLWEBHW-QWRGUYRKSA-N 0 3 309.370 1.179 20 5 DDBDHN C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000270847509 408707063 /nfs/dbraw/zinc/70/70/63/408707063.db2.gz XENUILWEIIWGMG-LLVKDONJSA-N 0 3 309.370 1.179 20 5 DDBDHN Cc1cc([N+](=O)[O-])nn1C[C@H](O)CN1CCc2ccccc2C1 ZINC000184767532 408686147 /nfs/dbraw/zinc/68/61/47/408686147.db2.gz XNKFPHAXEVZWNE-OAHLLOKOSA-N 0 3 316.361 1.519 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000164563995 408801121 /nfs/dbraw/zinc/80/11/21/408801121.db2.gz DWCUXHPOLMRTLQ-CHWSQXEVSA-N 0 3 321.381 1.042 20 5 DDBDHN CN(C)C1(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000276007707 408747936 /nfs/dbraw/zinc/74/79/36/408747936.db2.gz PLSQOVQNZIQXQQ-UHFFFAOYSA-N 0 3 307.350 1.574 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)[C@H]1CCOC1 ZINC000163082248 408760105 /nfs/dbraw/zinc/76/01/05/408760105.db2.gz ZZURGYUHBOKZDX-NEPJUHHUSA-N 0 3 307.350 1.856 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)[C@@H]2C1 ZINC000276337654 408838979 /nfs/dbraw/zinc/83/89/79/408838979.db2.gz HOPWYXVSVWSKNP-IINYFYTJSA-N 0 3 304.350 1.343 20 5 DDBDHN CCN(C)CCNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000281695391 408911439 /nfs/dbraw/zinc/91/14/39/408911439.db2.gz VQLAJFMEKIPYKF-UHFFFAOYSA-N 0 3 309.366 1.740 20 5 DDBDHN CCOc1ccc(C(=O)N2C[C@@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000236903148 163366322 /nfs/dbraw/zinc/36/63/22/163366322.db2.gz SZCLCAYXTZHWTQ-GHMZBOCLSA-N 0 3 307.350 1.816 20 5 DDBDHN CC(C)(CO)[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000293143482 409057520 /nfs/dbraw/zinc/05/75/20/409057520.db2.gz TVVKBJPDPABXRG-OAHLLOKOSA-N 0 3 321.377 1.920 20 5 DDBDHN C[C@H]1C[C@@H](CO)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000289044590 409211400 /nfs/dbraw/zinc/21/14/00/409211400.db2.gz PVXWHSINWAOKJG-IHRRRGAJSA-N 0 3 324.377 1.427 20 5 DDBDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC000284108255 409277071 /nfs/dbraw/zinc/27/70/71/409277071.db2.gz NFLCIBYGDZCHFD-SKDRFNHKSA-N 0 3 316.365 1.743 20 5 DDBDHN C[C@@H](NCCCS(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284980600 409389010 /nfs/dbraw/zinc/38/90/10/409389010.db2.gz GDEVYLMHVNGOFL-SECBINFHSA-N 0 3 301.368 1.262 20 5 DDBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1N1CCCC1 ZINC000295117241 409330562 /nfs/dbraw/zinc/33/05/62/409330562.db2.gz WGFDHTBDAIMQEO-OLZOCXBDSA-N 0 3 323.422 1.709 20 5 DDBDHN COc1cccc([C@@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000322156804 164046155 /nfs/dbraw/zinc/04/61/55/164046155.db2.gz IWVYPYURAVWQPT-RISCZKNCSA-N 0 3 320.349 1.512 20 5 DDBDHN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000408075847 164219755 /nfs/dbraw/zinc/21/97/55/164219755.db2.gz ZYLWWTSLUVZGDQ-VHSXEESVSA-N 0 3 317.349 1.636 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2([NH3+])CCC2)c1C ZINC000342532221 409702451 /nfs/dbraw/zinc/70/24/51/409702451.db2.gz UPGMGFBSLWVJRE-UHFFFAOYSA-N 0 3 313.379 1.371 20 5 DDBDHN C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000357308675 409966558 /nfs/dbraw/zinc/96/65/58/409966558.db2.gz WQTOKLLVZUTBRL-QWRGUYRKSA-N 0 3 321.381 1.764 20 5 DDBDHN COc1ccc(CN[C@@H]2CCC(=O)NC2(C)C)cc1[N+](=O)[O-] ZINC000338476110 410015780 /nfs/dbraw/zinc/01/57/80/410015780.db2.gz GDMFUKWQWRDUJB-CYBMUJFWSA-N 0 3 307.350 1.750 20 5 DDBDHN C[C@H](CN1CCCCC1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000298464497 410242521 /nfs/dbraw/zinc/24/25/21/410242521.db2.gz MYVWVQBHOZLPJL-LLVKDONJSA-N 0 3 306.366 1.980 20 5 DDBDHN C[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000343415855 410433473 /nfs/dbraw/zinc/43/34/73/410433473.db2.gz LPVLZNPDNXGZJM-IPYPFGDCSA-N 0 3 324.377 1.427 20 5 DDBDHN Cc1nn(C)c(C(=O)N(C)C2CCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000299179497 410558669 /nfs/dbraw/zinc/55/86/69/410558669.db2.gz ZYWCZZQAYBMJIR-UHFFFAOYSA-N 0 3 323.397 1.582 20 5 DDBDHN COc1ccc(CNC(=O)N(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000355981339 410760174 /nfs/dbraw/zinc/76/01/74/410760174.db2.gz GLRRYBSZNNVIFF-UHFFFAOYSA-N 0 3 310.354 1.306 20 5 DDBDHN CCO[C@@H]1COCC[C@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353128940 410800486 /nfs/dbraw/zinc/80/04/86/410800486.db2.gz LZJUUXQXAOOKLS-IUODEOHRSA-N 0 3 310.350 1.887 20 5 DDBDHN CC(C)[C@H](CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000359787158 410880260 /nfs/dbraw/zinc/88/02/60/410880260.db2.gz CXFDYAXIACACIB-LBPRGKRZSA-N 0 3 315.757 1.793 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344068251 410935675 /nfs/dbraw/zinc/93/56/75/410935675.db2.gz QIRRRIFZUGCELZ-KYEXWDHISA-N 0 3 322.361 1.037 20 5 DDBDHN C[C@@H]1C[C@H](CO)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000344117201 410966382 /nfs/dbraw/zinc/96/63/82/410966382.db2.gz BLLUILYXXDOUDF-NFAWXSAZSA-N 0 3 324.377 1.427 20 5 DDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)C(F)F ZINC000341378144 411031211 /nfs/dbraw/zinc/03/12/11/411031211.db2.gz ZXQFLXCTMANMRG-LDYMZIIASA-N 0 3 317.292 1.528 20 5 DDBDHN CN(C)CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000130826099 196113048 /nfs/dbraw/zinc/11/30/48/196113048.db2.gz MKIOCEZAJQZMJP-UHFFFAOYSA-N 0 3 316.155 1.649 20 5 DDBDHN CC(=O)N1CC(N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000580724331 422950857 /nfs/dbraw/zinc/95/08/57/422950857.db2.gz CLLFOUUKVBGAGW-HNNXBMFYSA-N 0 3 303.362 1.736 20 5 DDBDHN COc1cccc(C(=O)N2CC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000192498476 418524267 /nfs/dbraw/zinc/52/42/67/418524267.db2.gz RAYPNUNWYODWPH-LBPRGKRZSA-N 0 3 319.361 1.914 20 5 DDBDHN Cc1cnc(N2CCC(OCCN(C)C)CC2)c([N+](=O)[O-])c1 ZINC000361274420 299832949 /nfs/dbraw/zinc/83/29/49/299832949.db2.gz XQYYUGUKGQIQGC-UHFFFAOYSA-N 0 3 308.382 1.845 20 5 DDBDHN CN1CC[C@@H](CNc2ccc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 ZINC000370308931 418742440 /nfs/dbraw/zinc/74/24/40/418742440.db2.gz QJBNFLMFWHVIBF-BBRMVZONSA-N 0 3 313.361 2.490 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(CN)c2)n1 ZINC000424234890 228249435 /nfs/dbraw/zinc/24/94/35/228249435.db2.gz HLKMQGSIRBMERJ-UHFFFAOYSA-N 0 3 303.322 1.831 20 5 DDBDHN CC(=O)N[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000420961018 419387552 /nfs/dbraw/zinc/38/75/52/419387552.db2.gz SCKCXUKQBYWHBT-LBPRGKRZSA-N 0 3 320.349 1.134 20 5 DDBDHN CN(C[C@@H]1CCCN1C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000422018759 419808648 /nfs/dbraw/zinc/80/86/48/419808648.db2.gz JMNGYKSFCSONKP-LBPRGKRZSA-N 0 3 306.366 1.559 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCC[C@@H]1C(N)=O ZINC000430216878 420092658 /nfs/dbraw/zinc/09/26/58/420092658.db2.gz JKIWCDLJTOVJQE-STQMWFEESA-N 0 3 307.350 1.737 20 5 DDBDHN CN(C(=O)CN1CCNC[C@@](C)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000420330002 420214166 /nfs/dbraw/zinc/21/41/66/420214166.db2.gz KVDGYCIDYCEKMD-OAHLLOKOSA-N 0 3 324.356 1.191 20 5 DDBDHN CNCc1cccc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000415942066 420219594 /nfs/dbraw/zinc/21/95/94/420219594.db2.gz ILBXOPZKZHXXQD-UHFFFAOYSA-N 0 3 318.337 1.332 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](CO)C(C)(C)C ZINC000444687273 230121174 /nfs/dbraw/zinc/12/11/74/230121174.db2.gz GDAVPVPEBRBFRG-GFCCVEGCSA-N 0 3 309.366 1.838 20 5 DDBDHN CC(C)c1ccc(C(=O)NC[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000439715100 420532947 /nfs/dbraw/zinc/53/29/47/420532947.db2.gz DDFKINXTFFLAEJ-MRXNPFEDSA-N 0 3 321.377 1.515 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000493186308 420780549 /nfs/dbraw/zinc/78/05/49/420780549.db2.gz GYTLTOQBZAIMRF-YTELKSAQSA-N 0 3 301.346 1.771 20 5 DDBDHN CC(C)c1ccc(CNC[C@H](O)Cn2ccnn2)cc1[N+](=O)[O-] ZINC000459690446 420846645 /nfs/dbraw/zinc/84/66/45/420846645.db2.gz FIURRWPUDHMGMG-ZDUSSCGKSA-N 0 3 319.365 1.460 20 5 DDBDHN O=C(NC[C@@H]1CCCN1CCCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000454276410 420828472 /nfs/dbraw/zinc/82/84/72/420828472.db2.gz ORRBBUICXQUKKD-AWEZNQCLSA-N 0 3 322.365 1.563 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1CNC1(CO)CCSCC1 ZINC000459704147 420850761 /nfs/dbraw/zinc/85/07/61/420850761.db2.gz SYJLPZDNSWLKRJ-UHFFFAOYSA-N 0 3 312.391 1.951 20 5 DDBDHN O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1CNCCC1(F)F ZINC000493447392 420852550 /nfs/dbraw/zinc/85/25/50/420852550.db2.gz GJUJRMDRXBGXKC-BTDICHCPSA-N 0 3 311.288 1.721 20 5 DDBDHN CNc1nc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000455613541 421044895 /nfs/dbraw/zinc/04/48/95/421044895.db2.gz NMCYNRGQIZQYGM-NSHDSACASA-N 0 3 319.365 1.340 20 5 DDBDHN CC(C)[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCN1C ZINC000487084097 421001461 /nfs/dbraw/zinc/00/14/61/421001461.db2.gz JDARCFMHSUJSTC-NSHDSACASA-N 0 3 304.354 1.414 20 5 DDBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCCCN2CCO)c(F)c1 ZINC000449394344 421004156 /nfs/dbraw/zinc/00/41/56/421004156.db2.gz NTLPDSHHHAJCSZ-CQSZACIVSA-N 0 3 311.357 1.670 20 5 DDBDHN O=[N+]([O-])c1cccc(CN2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1 ZINC000449433160 421011171 /nfs/dbraw/zinc/01/11/71/421011171.db2.gz LASCQXKMVCSYIC-IMJJTQAJSA-N 0 3 306.362 1.957 20 5 DDBDHN CC(COC(=O)[C@]12C[C@H]1CCN2C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000497048220 421355859 /nfs/dbraw/zinc/35/58/59/421355859.db2.gz USMCSPUHOZOSHZ-RBZYPMLTSA-N 0 3 314.338 1.594 20 5 DDBDHN CC(C)(C)N1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000563374315 421494410 /nfs/dbraw/zinc/49/44/10/421494410.db2.gz ODGSCIFUQGEDAB-UHFFFAOYSA-N 0 3 321.381 1.518 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516379331 421542319 /nfs/dbraw/zinc/54/23/19/421542319.db2.gz IAYHNTOFSBYVOH-JTQLQIEISA-N 0 3 321.333 1.538 20 5 DDBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H](C)C1 ZINC000554128839 421632731 /nfs/dbraw/zinc/63/27/31/421632731.db2.gz SWZXXCGQGZBWGH-OBJOEFQTSA-N 0 3 320.393 1.736 20 5 DDBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1c(N)cccc1[N+](=O)[O-])C2 ZINC000597710151 422389875 /nfs/dbraw/zinc/38/98/75/422389875.db2.gz IJXUXVJQJFKMKS-INIZCTEOSA-N 0 3 318.377 1.735 20 5 DDBDHN O=[N+]([O-])c1ccc2nc(NCCN3CC[C@@H](O)C3)ccc2c1 ZINC000599175510 422404424 /nfs/dbraw/zinc/40/44/24/422404424.db2.gz DKRKSDKCRMYNMU-CYBMUJFWSA-N 0 3 302.334 1.622 20 5 DDBDHN CC[C@@H]1CN(C)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578589559 422600965 /nfs/dbraw/zinc/60/09/65/422600965.db2.gz ZVUCRLSZDBDBCQ-HIFRSBDPSA-N 0 3 323.393 1.361 20 5 DDBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NCCNc1ccncc1 ZINC000341870168 271226924 /nfs/dbraw/zinc/22/69/24/271226924.db2.gz BCIKNLUPAOSXFB-UHFFFAOYSA-N 0 3 316.317 1.019 20 5 DDBDHN COC(=O)c1cc(C)nc(N2CCN(C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000342144136 271318800 /nfs/dbraw/zinc/31/88/00/271318800.db2.gz XDTNIHXUVWSWKU-LLVKDONJSA-N 0 3 322.365 1.615 20 5 DDBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000344621520 272072650 /nfs/dbraw/zinc/07/26/50/272072650.db2.gz SWJUAFZLFKQCJF-LBPRGKRZSA-N 0 3 321.381 1.422 20 5 DDBDHN CCCc1n[nH]c(C(=O)NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000345501391 272267270 /nfs/dbraw/zinc/26/72/70/272267270.db2.gz HJBNJCUXMFNHPH-UHFFFAOYSA-N 0 3 323.397 1.876 20 5 DDBDHN COC(=O)c1cc(NC(=O)[C@@H](N)CC(F)F)cc([N+](=O)[O-])c1 ZINC000345717105 272313079 /nfs/dbraw/zinc/31/30/79/272313079.db2.gz RRHPYUCAUSDQIV-VIFPVBQESA-N 0 3 317.248 1.302 20 5 DDBDHN CN1CC[C@@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]21 ZINC000450782297 277150070 /nfs/dbraw/zinc/15/00/70/277150070.db2.gz WZZBLNKKMZIJBT-YPMHNXCESA-N 0 3 315.333 1.785 20 5 DDBDHN C[C@@H]1NCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000262741873 279037588 /nfs/dbraw/zinc/03/75/88/279037588.db2.gz DXTLNTSYLSMOFW-IUCAKERBSA-N 0 3 303.322 1.294 20 5 DDBDHN C[C@H]1C[C@@H](CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000453573020 279948273 /nfs/dbraw/zinc/94/82/73/279948273.db2.gz GENXLWGGUFECMX-KBPBESRZSA-N 0 3 320.393 1.927 20 5 DDBDHN [NH3+]C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000087384052 295243689 /nfs/dbraw/zinc/24/36/89/295243689.db2.gz VWYZPGZSZKQAKO-SECBINFHSA-N 0 3 319.770 1.264 20 5 DDBDHN CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000572482954 304531415 /nfs/dbraw/zinc/53/14/15/304531415.db2.gz HXRCTGOUFHZOEE-STQMWFEESA-N 0 3 313.379 1.356 20 5 DDBDHN O=C([C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1)N1CCCC1 ZINC000357937511 299025740 /nfs/dbraw/zinc/02/57/40/299025740.db2.gz WYPILQZYANJAFS-ZDUSSCGKSA-N 0 3 321.381 1.126 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)c1 ZINC000368590607 301060002 /nfs/dbraw/zinc/06/00/02/301060002.db2.gz KZNRBRWFFIZYPJ-IAQYHMDHSA-N 0 3 319.361 1.770 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC23CCOCC3)c1 ZINC000368893131 301102301 /nfs/dbraw/zinc/10/23/01/301102301.db2.gz AQHOFBBJLJFWFB-AWEZNQCLSA-N 0 3 322.361 1.589 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC12CCOCC2 ZINC000368898025 301103944 /nfs/dbraw/zinc/10/39/44/301103944.db2.gz VVPNJTVIEPMMBB-ZDUSSCGKSA-N 0 3 322.361 1.589 20 5 DDBDHN CC(C)(CC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000397203635 302352402 /nfs/dbraw/zinc/35/24/02/302352402.db2.gz XTXYAVRJZDFWKR-UHFFFAOYSA-N 0 3 321.786 1.654 20 5 DDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCC(C)(C)N1CCCCC1 ZINC000356433320 306851491 /nfs/dbraw/zinc/85/14/91/306851491.db2.gz WVFGYDZSYPOAGP-UHFFFAOYSA-N 0 3 309.370 1.323 20 5 DDBDHN CN(C)CC(C)(C)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000519583631 302842249 /nfs/dbraw/zinc/84/22/49/302842249.db2.gz CGTFKQXOKDEDRN-UHFFFAOYSA-N 0 3 324.381 1.613 20 5 DDBDHN Cc1c(CNC[C@@H](O)COC2CCOCC2)cccc1[N+](=O)[O-] ZINC000521031133 302869750 /nfs/dbraw/zinc/86/97/50/302869750.db2.gz RIDUMRRKTLWQQC-CQSZACIVSA-N 0 3 324.377 1.549 20 5 DDBDHN O=C(CCN1CCCOCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000375366178 307224525 /nfs/dbraw/zinc/22/45/25/307224525.db2.gz JGPTYVNGPRPYQD-UHFFFAOYSA-N 0 3 311.313 1.785 20 5 DDBDHN O=C(CCN[C@H]1CC[S@@](=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000564848256 308008404 /nfs/dbraw/zinc/00/84/04/308008404.db2.gz DTCFSVSCUYNWST-CHNSCGDPSA-N 0 3 311.363 1.034 20 5 DDBDHN O=C(CCN[C@H]1CC[S@](=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000564848264 308008442 /nfs/dbraw/zinc/00/84/42/308008442.db2.gz DTCFSVSCUYNWST-CWKPULSASA-N 0 3 311.363 1.034 20 5 DDBDHN CNc1nc(C(=O)N2CCCC[C@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000576355493 308309122 /nfs/dbraw/zinc/30/91/22/308309122.db2.gz YMSNZDHNICDVAR-NSHDSACASA-N 0 3 321.381 1.588 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC(C)(C(N)=O)C1 ZINC000576820635 308342072 /nfs/dbraw/zinc/34/20/72/308342072.db2.gz UVWIGPNBMURBJK-UHFFFAOYSA-N 0 3 320.349 1.039 20 5 DDBDHN C[C@]1(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000273089674 490716428 /nfs/dbraw/zinc/71/64/28/490716428.db2.gz SGROLSBFJMCHEM-HOCLYGCPSA-N 0 3 319.361 1.741 20 5 DDBDHN Cc1c(CN2C[C@H](C)N(CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000419331796 533847929 /nfs/dbraw/zinc/84/79/29/533847929.db2.gz RUTJOXPZBVJYDN-QWHCGFSZSA-N 0 3 307.394 1.790 20 5 DDBDHN O=C(COC1CNC1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000430108091 534611071 /nfs/dbraw/zinc/61/10/71/534611071.db2.gz ZAXOJDWCFGHMQW-UHFFFAOYSA-N 0 3 307.350 1.022 20 5 DDBDHN CC[N@@H+]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736571073 598499180 /nfs/dbraw/zinc/49/91/80/598499180.db2.gz PHRRYZCGNLGANA-SECBINFHSA-N 0 3 318.341 1.066 20 5 DDBDHN CC[N@H+]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736571073 598499182 /nfs/dbraw/zinc/49/91/82/598499182.db2.gz PHRRYZCGNLGANA-SECBINFHSA-N 0 3 318.341 1.066 20 5 DDBDHN CC[N@@H+]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736571073 598499184 /nfs/dbraw/zinc/49/91/84/598499184.db2.gz PHRRYZCGNLGANA-SECBINFHSA-N 0 3 318.341 1.066 20 5 DDBDHN CC[N@H+]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736571073 598499186 /nfs/dbraw/zinc/49/91/86/598499186.db2.gz PHRRYZCGNLGANA-SECBINFHSA-N 0 3 318.341 1.066 20 5 DDBDHN CC[N@@H+]1CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000821266709 606645518 /nfs/dbraw/zinc/64/55/18/606645518.db2.gz GLUHOHHVDHQSRG-UHFFFAOYSA-N 0 3 317.353 1.307 20 5 DDBDHN CC[N@H+]1CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000821266709 606645519 /nfs/dbraw/zinc/64/55/19/606645519.db2.gz GLUHOHHVDHQSRG-UHFFFAOYSA-N 0 3 317.353 1.307 20 5 DDBDHN CC(C)(CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000128681590 696781006 /nfs/dbraw/zinc/78/10/06/696781006.db2.gz UYRXRCSAUQYMQQ-GFCCVEGCSA-N 0 3 316.379 1.041 20 5 DDBDHN C[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000195157969 697732769 /nfs/dbraw/zinc/73/27/69/697732769.db2.gz CDONLMAPKWWTGA-LLVKDONJSA-N 0 3 306.366 1.781 20 5 DDBDHN O=C(CN[C@@H](CO)C1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000771812833 701332377 /nfs/dbraw/zinc/33/23/77/701332377.db2.gz KCRRUKMQBZOBCV-NSHDSACASA-N 0 3 313.741 1.547 20 5 DDBDHN C[C@@H]1CN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H](C)N1C ZINC000840090254 701963145 /nfs/dbraw/zinc/96/31/45/701963145.db2.gz NVMDEWZEJMIFTH-PHIMTYICSA-N 0 3 320.349 1.485 20 5 DDBDHN CC(COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[N+](=O)[O-] ZINC000813100280 702290430 /nfs/dbraw/zinc/29/04/30/702290430.db2.gz PZOKHCXKYZIMMG-ZETCQYMHSA-N 0 3 312.234 1.188 20 5 DDBDHN CC(C)[C@H](NC(=O)c1ccccn1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813103450 702292306 /nfs/dbraw/zinc/29/23/06/702292306.db2.gz AYMPNAQXRWBKFK-PWSUYJOCSA-N 0 3 309.322 1.044 20 5 DDBDHN CC(C)[C@H](NC(=O)c1cccs1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813110399 702296350 /nfs/dbraw/zinc/29/63/50/702296350.db2.gz ZQSILFSWWXQDJI-ONGXEEELSA-N 0 3 314.363 1.711 20 5 DDBDHN CC(COC(=O)CCCNC(=O)c1ccsc1)[N+](=O)[O-] ZINC000813109926 702296424 /nfs/dbraw/zinc/29/64/24/702296424.db2.gz XOJWNKNLRAIJLA-SECBINFHSA-N 0 3 300.336 1.467 20 5 DDBDHN CC(COC(=O)CCN1C(=O)COc2ccccc21)[N+](=O)[O-] ZINC000813115476 702300468 /nfs/dbraw/zinc/30/04/68/702300468.db2.gz SWTFHSHFDDJXFO-SNVBAGLBSA-N 0 3 308.290 1.011 20 5 DDBDHN O=C1N[C@H](CN2CCCCC2)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000813355528 702336491 /nfs/dbraw/zinc/33/64/91/702336491.db2.gz LGFXWXSHIJBHHN-CYBMUJFWSA-N 0 3 318.333 1.506 20 5 DDBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@H]1CNCCO1)CC2 ZINC000843492905 702892855 /nfs/dbraw/zinc/89/28/55/702892855.db2.gz AFAOZOXZEQLZIO-LBPRGKRZSA-N 0 3 305.334 1.171 20 5 DDBDHN C[C@@H](NC[C@]12COC(=O)N1CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000866519811 706719838 /nfs/dbraw/zinc/71/98/38/706719838.db2.gz WTBPJKOPTYDKGZ-ABAIWWIYSA-N 0 3 321.333 1.467 20 5 DDBDHN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCN1 ZINC000831599888 706736322 /nfs/dbraw/zinc/73/63/22/706736322.db2.gz VDLYFUZSAOTJGX-CYBMUJFWSA-N 0 3 322.321 1.573 20 5 DDBDHN COC[C@H](OC)C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000851108022 703780989 /nfs/dbraw/zinc/78/09/89/703780989.db2.gz HZEQXNNMUHQJAB-ICCXJUOJSA-N 0 3 315.297 1.737 20 5 DDBDHN CCc1cc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000819054618 704060797 /nfs/dbraw/zinc/06/07/97/704060797.db2.gz QTYXTNLMYZOXNL-AWEZNQCLSA-N 0 3 320.349 1.410 20 5 DDBDHN CCc1cc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000819054618 704060799 /nfs/dbraw/zinc/06/07/99/704060799.db2.gz QTYXTNLMYZOXNL-AWEZNQCLSA-N 0 3 320.349 1.410 20 5 DDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)CN(C)C ZINC000854465637 704401865 /nfs/dbraw/zinc/40/18/65/704401865.db2.gz RYRHXYFXJGLKNV-RUNBWSAHSA-N 0 3 307.350 1.037 20 5 DDBDHN Nc1ccc(C(=O)NC[C@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000863033757 705853437 /nfs/dbraw/zinc/85/34/37/705853437.db2.gz MFORKNSZYOBRSN-CYBMUJFWSA-N 0 3 318.377 1.924 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H]2CCCn3nccc32)c1 ZINC000872243128 707345417 /nfs/dbraw/zinc/34/54/17/707345417.db2.gz SRULVIGMQFMBDL-HIFRSBDPSA-N 0 3 302.334 1.949 20 5 DDBDHN CN1CCN(C)CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000897093357 708227855 /nfs/dbraw/zinc/22/78/55/708227855.db2.gz MDOWZSZRUAYKFM-UHFFFAOYSA-N 0 3 323.353 1.187 20 5 DDBDHN CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](CNCC[N+](=O)[O-])O2 ZINC000899891006 709228727 /nfs/dbraw/zinc/22/87/27/709228727.db2.gz GARICRANURZUHM-LLVKDONJSA-N 0 3 315.370 1.021 20 5 DDBDHN C[C@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000928430892 713192311 /nfs/dbraw/zinc/19/23/11/713192311.db2.gz JUQJTQLZXFDYKF-BSLXNSKLSA-N 0 3 303.362 1.907 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCN1C ZINC000928447858 713201296 /nfs/dbraw/zinc/20/12/96/713201296.db2.gz AHXPGXYLZZGPRL-RNCFNFMXSA-N 0 3 302.334 1.899 20 5 DDBDHN C[C@H]1[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCN1C ZINC000928448993 713201518 /nfs/dbraw/zinc/20/15/18/713201518.db2.gz DGOWJJVFLKARCK-WCBMZHEXSA-N 0 3 307.306 1.146 20 5 DDBDHN CC[C@@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)N(C)C ZINC000911469750 710811892 /nfs/dbraw/zinc/81/18/92/710811892.db2.gz IMTHZDPREASGDQ-NSHDSACASA-N 0 3 301.293 1.829 20 5 DDBDHN COCCN(C)CCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000896096664 711675477 /nfs/dbraw/zinc/67/54/77/711675477.db2.gz CBRXXGYNUOADOP-UHFFFAOYSA-N 0 3 309.366 1.520 20 5 DDBDHN O=C1C[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CN1CC1CC1 ZINC000905452091 712041692 /nfs/dbraw/zinc/04/16/92/712041692.db2.gz MUWRXCTVXANAGW-ZFWWWQNUSA-N 0 3 319.361 1.229 20 5 DDBDHN Cc1nn(C)c(C(=O)NC[C@@H](C)N2CCCCC2)c1[N+](=O)[O-] ZINC000920005705 713645740 /nfs/dbraw/zinc/64/57/40/713645740.db2.gz MRJSOHAPGBDTOG-SNVBAGLBSA-N 0 3 309.370 1.241 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCO[C@H]3CCOC3)C2)nc1 ZINC000929988913 713729778 /nfs/dbraw/zinc/72/97/78/713729778.db2.gz OOYWMASFHLUNNZ-OCCSQVGLSA-N 0 3 322.365 1.282 20 5 DDBDHN COc1cccc([C@@H]2[C@@H](NCC[N+](=O)[O-])CCN2C2CC2)c1 ZINC000930353779 713812084 /nfs/dbraw/zinc/81/20/84/713812084.db2.gz KGWLYTVHIBTOOE-JKSUJKDBSA-N 0 3 305.378 1.839 20 5 DDBDHN C[C@](CO)(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cccc([N+](=O)[O-])c1 ZINC000931471464 714105395 /nfs/dbraw/zinc/10/53/95/714105395.db2.gz RMQKSAPTBHZMMB-IPOQPSJVSA-N 0 3 322.361 1.196 20 5 DDBDHN CN(C)CC1(c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)CC1 ZINC000923949935 714493447 /nfs/dbraw/zinc/49/34/47/714493447.db2.gz HXXXITHYKBQVFI-UHFFFAOYSA-N 0 3 303.322 1.557 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](Cc3nccs3)C2)c1 ZINC000934333747 714797003 /nfs/dbraw/zinc/79/70/03/714797003.db2.gz QVYVEUAYTZZXPY-NSHDSACASA-N 0 3 307.379 1.812 20 5 DDBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1cocn1 ZINC001020025566 736981678 /nfs/dbraw/zinc/98/16/78/736981678.db2.gz SZXNWFUJQDDMJF-HAQNSBGRSA-N 0 3 316.317 1.633 20 5 DDBDHN O=C(NCC1CN(Cc2ccc(F)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662080 747336210 /nfs/dbraw/zinc/33/62/10/747336210.db2.gz UFFFQIWHHFOJPU-ZIAGYGMSSA-N 0 3 307.325 1.039 20 5 DDBDHN Cc1cc(C)nc(N2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169029657 762186661 /nfs/dbraw/zinc/18/66/61/762186661.db2.gz UXIWZTVSETUUEQ-LSDHHAIUSA-N 0 3 319.409 1.661 20 5 DDBDHN COc1ccnc(N2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169053537 762207777 /nfs/dbraw/zinc/20/77/77/762207777.db2.gz IKMCHHXCOISOHQ-KBPBESRZSA-N 0 3 320.393 1.658 20 5 DDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[C@@H](N3CCOCC3)[C@@H](F)C2)C1 ZINC001169055292 762210064 /nfs/dbraw/zinc/21/00/64/762210064.db2.gz PBRGGDSERKFASP-CBBWQLFWSA-N 0 3 315.389 1.176 20 5 DDBDHN CC(=O)N1CCc2cc(-n3ccc([C@H](C)N)n3)cc([N+](=O)[O-])c21 ZINC001169235102 762282492 /nfs/dbraw/zinc/28/24/92/762282492.db2.gz QBJCFQZKIBLNCF-VIFPVBQESA-N 0 3 315.333 1.709 20 5 DDBDHN CC(=O)N1CCc2cc(-n3ccc([C@@H](C)N)n3)cc([N+](=O)[O-])c21 ZINC001169235101 762295827 /nfs/dbraw/zinc/29/58/27/762295827.db2.gz QBJCFQZKIBLNCF-SECBINFHSA-N 0 3 315.333 1.709 20 5 DDBDHN CCCOCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001155408728 761136324 /nfs/dbraw/zinc/13/63/24/761136324.db2.gz XQEYRHNYOUFSNX-UHFFFAOYSA-N 0 3 309.366 1.617 20 5 DDBDHN NCc1cnnn1-c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001158420292 768209569 /nfs/dbraw/zinc/20/95/69/768209569.db2.gz LZTZVKCZPZWGFR-UHFFFAOYSA-N 0 3 304.697 1.836 20 5 DDBDHN CCCN(C)CC(=O)N[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001097052858 771599301 /nfs/dbraw/zinc/59/93/01/771599301.db2.gz BJVVSZGWKOOAHD-HAQNSBGRSA-N 0 3 321.381 1.391 20 5 DDBDHN CCN(C)C(C)(C)C(=O)NCCN(C)c1ncccc1[N+](=O)[O-] ZINC001100203974 775816587 /nfs/dbraw/zinc/81/65/87/775816587.db2.gz OAVMLNPRNCQVPO-UHFFFAOYSA-N 0 3 323.397 1.273 20 5 DDBDHN Cc1ccnc(NCCCNC(=O)CN(C)C(C)C)c1[N+](=O)[O-] ZINC001094456815 775894906 /nfs/dbraw/zinc/89/49/06/775894906.db2.gz SBNBSFCNYFLIGA-UHFFFAOYSA-N 0 3 323.397 1.557 20 5 DDBDHN N=c1ncc(CN)cn1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172905647 776916836 /nfs/dbraw/zinc/91/68/36/776916836.db2.gz TUHSTYNDXLVDQL-CQSZACIVSA-N 0 3 313.361 1.850 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001119984891 781709523 /nfs/dbraw/zinc/70/95/23/781709523.db2.gz WZNLULNCDVLPPQ-STQMWFEESA-N 0 3 306.366 1.334 20 5 DDBDHN CN1C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3N)[C@@H]2C1 ZINC001142701853 861237266 /nfs/dbraw/zinc/23/72/66/861237266.db2.gz GNQQVCJPBOJEIQ-IINYFYTJSA-N 0 3 304.350 1.343 20 5 DDBDHN CSc1nc(Cl)c([N+](=O)[O-])c(-n2nccc2CN)n1 ZINC001155124435 861755471 /nfs/dbraw/zinc/75/54/71/861755471.db2.gz WRBNKSGGOSNYPU-UHFFFAOYSA-N 0 3 300.731 1.405 20 5 DDBDHN CCN1C[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C(C)(C)C1 ZINC001156836517 863384535 /nfs/dbraw/zinc/38/45/35/863384535.db2.gz KOPWEIPPPMRQDD-SNVBAGLBSA-N 0 3 307.354 1.032 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001330963588 864740769 /nfs/dbraw/zinc/74/07/69/864740769.db2.gz FOGSMMGTFHWSNE-AWEZNQCLSA-N 0 3 304.350 1.714 20 5 DDBDHN O=[N+]([O-])c1cc(F)ccc1Cn1cc(CNCC2CC2)nn1 ZINC001331886050 865413066 /nfs/dbraw/zinc/41/30/66/865413066.db2.gz WVVFNIAMPVBKMZ-UHFFFAOYSA-N 0 3 305.313 1.873 20 5 DDBDHN CN(C)C1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC001333128135 866442400 /nfs/dbraw/zinc/44/24/00/866442400.db2.gz RKSPSGKQEPNIIK-UHFFFAOYSA-N 0 3 304.350 1.237 20 5 DDBDHN COCC(C)(C)C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001162507922 867598049 /nfs/dbraw/zinc/59/80/49/867598049.db2.gz JINKRTJLIYZORA-UHFFFAOYSA-N 0 3 323.393 1.863 20 5 DDBDHN Cc1cc(CN)nn1-c1ccc([N+](=O)[O-])c2c1CCN(C)C2 ZINC001163986050 868848101 /nfs/dbraw/zinc/84/81/01/868848101.db2.gz PYNFOMFYBONTMU-UHFFFAOYSA-N 0 3 301.350 1.536 20 5 DDBDHN CCn1c(CCC[N+](=O)[O-])nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001340012696 870838240 /nfs/dbraw/zinc/83/82/40/870838240.db2.gz TVFQQSITVPWUBU-CHWSQXEVSA-N 0 3 324.429 1.426 20 5 DDBDHN COc1cc(C[NH2+][C@H](CO)CC2CCC2)c([N+](=O)[O-])cc1[O-] ZINC001308414101 871498441 /nfs/dbraw/zinc/49/84/41/871498441.db2.gz KECJVWPHPPVPKD-LBPRGKRZSA-N 0 3 310.350 1.950 20 5 DDBDHN Cc1[nH]nc(C(=O)N2CCN(C3CCCC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC001352971972 877047165 /nfs/dbraw/zinc/04/71/65/877047165.db2.gz YHXZOYKECKIWJG-SNVBAGLBSA-N 0 3 321.381 1.715 20 5 DDBDHN CCN1CC[C@H](O[C@@H](C(=O)OC)c2ccccc2[N+](=O)[O-])C1 ZINC001223641647 881038243 /nfs/dbraw/zinc/03/82/43/881038243.db2.gz BWAWFJWQFFSOLE-SMDDNHRTSA-N 0 3 308.334 1.920 20 5 DDBDHN CNC(=O)NC1CCN([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254568515 896506260 /nfs/dbraw/zinc/50/62/60/896506260.db2.gz GMLVTFWHANAZBH-LBPRGKRZSA-N 0 3 320.393 1.919 20 5 DDBDHN CCOC[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090549243 185302540 /nfs/dbraw/zinc/30/25/40/185302540.db2.gz TUJQOAGNSNJDSH-ZDUSSCGKSA-N 0 3 309.366 1.505 20 5 DDBDHN COCCCN(C)CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255113671 282233360 /nfs/dbraw/zinc/23/33/60/282233360.db2.gz BDECBPOLLZTWIK-FPLPWBNLSA-N 0 3 321.377 1.693 20 5 DDBDHN COCC(C)(C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000154862904 290680734 /nfs/dbraw/zinc/68/07/34/290680734.db2.gz CTPDRLUJSRTKPS-UHFFFAOYSA-N 0 3 307.350 1.499 20 5 DDBDHN CN(C)[C@@]1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CCSC1 ZINC000272655675 282318065 /nfs/dbraw/zinc/31/80/65/282318065.db2.gz NTIFXEMOFJXATK-CQSZACIVSA-N 0 3 324.406 1.344 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)n1 ZINC000457082139 231982538 /nfs/dbraw/zinc/98/25/38/231982538.db2.gz DOWWDCGNNOAHGB-LLVKDONJSA-N 0 3 309.370 1.366 20 5 DDBDHN CCN1CCC(NC(=O)CSc2ccc([N+](=O)[O-])cn2)CC1 ZINC000159695226 290761275 /nfs/dbraw/zinc/76/12/75/290761275.db2.gz YERSVMDCOQXYFA-UHFFFAOYSA-N 0 3 324.406 1.682 20 5 DDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000272646696 210051434 /nfs/dbraw/zinc/05/14/34/210051434.db2.gz YLZWUTVXZBBIOA-VHSXEESVSA-N 0 3 311.313 1.322 20 5 DDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262885724 186318948 /nfs/dbraw/zinc/31/89/48/186318948.db2.gz WLDMWPAYTZXIRS-NWDGAFQWSA-N 0 3 307.350 1.573 20 5 DDBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](OCCO)C2)c1 ZINC000172298880 198073683 /nfs/dbraw/zinc/07/36/83/198073683.db2.gz QHRMWKLIQDYILM-OAHLLOKOSA-N 0 3 310.350 1.447 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(Cl)cc2)c1 ZINC000037883626 352297823 /nfs/dbraw/zinc/29/78/23/352297823.db2.gz RMRNTJYNADSOGY-CYBMUJFWSA-N 0 3 310.741 1.595 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(C)CC1 ZINC000043126984 352362057 /nfs/dbraw/zinc/36/20/57/352362057.db2.gz JGZQTYZLJYULNS-UHFFFAOYSA-N 0 3 308.338 1.819 20 5 DDBDHN CCN1CCC(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000044019978 352378986 /nfs/dbraw/zinc/37/89/86/352378986.db2.gz BUSFKODFJPSRDJ-UHFFFAOYSA-N 0 3 320.393 1.997 20 5 DDBDHN CNC(=O)CCN(C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173636174 198234250 /nfs/dbraw/zinc/23/42/50/198234250.db2.gz OTKJRWGVHQHGSM-UHFFFAOYSA-N 0 3 311.338 1.050 20 5 DDBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NCCN1CCCCCC1 ZINC000076250031 353408715 /nfs/dbraw/zinc/40/87/15/353408715.db2.gz KLYIBZNMTFXLEB-UHFFFAOYSA-N 0 3 321.377 1.966 20 5 DDBDHN C[C@H](c1cccs1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174752891 198379873 /nfs/dbraw/zinc/37/98/73/198379873.db2.gz JXKPKNZWVOZHHW-PWSUYJOCSA-N 0 3 310.379 1.907 20 5 DDBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1COC[C@@H]1O ZINC000601292055 358481473 /nfs/dbraw/zinc/48/14/73/358481473.db2.gz QHEBJQCMLXXVOP-WZRBSPASSA-N 0 3 312.391 1.815 20 5 DDBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC(=O)N(C)C1 ZINC000584787607 354770043 /nfs/dbraw/zinc/77/00/43/354770043.db2.gz GCSDLYHWRCYLRO-ZDUSSCGKSA-N 0 3 307.350 1.526 20 5 DDBDHN CN(C(=O)CN1CC[C@@H]2CN(C)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000590012325 355040266 /nfs/dbraw/zinc/04/02/66/355040266.db2.gz QWZXLAMFDMQCFV-IUODEOHRSA-N 0 3 318.377 1.194 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000590012853 355041272 /nfs/dbraw/zinc/04/12/72/355041272.db2.gz ZWWMMEGCKZHOJH-HZMBPMFUSA-N 0 3 301.350 1.607 20 5 DDBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590402433 355085607 /nfs/dbraw/zinc/08/56/07/355085607.db2.gz UDGVNVRIDJSCJA-LSDHHAIUSA-N 0 3 319.361 1.530 20 5 DDBDHN Cn1nnnc1CCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591347932 355294559 /nfs/dbraw/zinc/29/45/59/355294559.db2.gz GDPOMDJUHBUBLZ-CQSZACIVSA-N 0 3 316.365 1.718 20 5 DDBDHN CC(C)(C(=O)NC[C@@H]1C[C@H](F)CN1)c1ccc([N+](=O)[O-])cc1 ZINC000591686256 355362398 /nfs/dbraw/zinc/36/23/98/355362398.db2.gz YTJANGCQESIGAE-RYUDHWBXSA-N 0 3 309.341 1.689 20 5 DDBDHN CCC[C@](C)(N)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000592276966 355551346 /nfs/dbraw/zinc/55/13/46/355551346.db2.gz KFJSFFYQWWEFEY-AWEZNQCLSA-N 0 3 309.370 1.472 20 5 DDBDHN COC(=O)[C@@H]1CNCCCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000592433421 355583136 /nfs/dbraw/zinc/58/31/36/355583136.db2.gz FFYWAJHPCMPVDV-AWEZNQCLSA-N 0 3 307.350 1.240 20 5 DDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1ccccc1[N+](=O)[O-] ZINC000592526257 355612603 /nfs/dbraw/zinc/61/26/03/355612603.db2.gz WNDSTZYSZGXDLO-GFCCVEGCSA-N 0 3 306.366 1.147 20 5 DDBDHN Cn1cc(CN[C@@H](CO)CCF)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593688385 355967146 /nfs/dbraw/zinc/96/71/46/355967146.db2.gz HTGWWHCAUVZEMV-CYBMUJFWSA-N 0 3 322.340 1.805 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](OC3CCC3)C2)c1 ZINC000594027794 356094151 /nfs/dbraw/zinc/09/41/51/356094151.db2.gz ZVFYKPXMTXZKLD-ZFWWWQNUSA-N 0 3 324.381 1.186 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H]1CCS(=O)(=O)C1 ZINC000594489826 356235958 /nfs/dbraw/zinc/23/59/58/356235958.db2.gz FDZWDKHFPJWBPJ-ZWNOBZJWSA-N 0 3 310.375 1.606 20 5 DDBDHN CCC(C)(C)N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000594389219 356193776 /nfs/dbraw/zinc/19/37/76/356193776.db2.gz GVKXOLPTNKCVQH-UHFFFAOYSA-N 0 3 323.397 1.514 20 5 DDBDHN NC[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000594523950 356242545 /nfs/dbraw/zinc/24/25/45/356242545.db2.gz FOZXAIIGYQTUNN-JTQLQIEISA-N 0 3 320.271 1.326 20 5 DDBDHN CCN1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595536898 356539190 /nfs/dbraw/zinc/53/91/90/356539190.db2.gz XAMZZABQUBYAQY-GFCCVEGCSA-N 0 3 320.393 1.610 20 5 DDBDHN C[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000595783355 356650801 /nfs/dbraw/zinc/65/08/01/356650801.db2.gz MWDYWEXGRXMKMX-VNHYZAJKSA-N 0 3 324.377 1.834 20 5 DDBDHN Cc1c(NC(=O)CCN2CC[C@@]3(O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595755968 356637505 /nfs/dbraw/zinc/63/75/05/356637505.db2.gz AIKUTPIQUQCJRW-BLLLJJGKSA-N 0 3 319.361 1.689 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC2(COC2)C1 ZINC000595835711 356671381 /nfs/dbraw/zinc/67/13/81/356671381.db2.gz XBKCYAWIPLJJGY-GFCCVEGCSA-N 0 3 308.334 1.057 20 5 DDBDHN CN(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000596242335 356829789 /nfs/dbraw/zinc/82/97/89/356829789.db2.gz DNBJGPMBTDIZPA-QMMMGPOBSA-N 0 3 318.171 1.692 20 5 DDBDHN C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1C ZINC000596137026 356787433 /nfs/dbraw/zinc/78/74/33/356787433.db2.gz OCOUWMXJLSARGC-PWSUYJOCSA-N 0 3 306.366 1.613 20 5 DDBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1OC)[C@H]1CCN(C)C1 ZINC000597943990 357393087 /nfs/dbraw/zinc/39/30/87/357393087.db2.gz BMJVVPBLGFJEHV-LBPRGKRZSA-N 0 3 307.350 1.770 20 5 DDBDHN CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(CC)C1 ZINC000598040870 357438406 /nfs/dbraw/zinc/43/84/06/357438406.db2.gz IEBRLNFSCDHNGY-GFCCVEGCSA-N 0 3 309.370 1.124 20 5 DDBDHN CCCN1CC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000598341646 357544584 /nfs/dbraw/zinc/54/45/84/357544584.db2.gz FFOHHSVQAUMUMV-LBPRGKRZSA-N 0 3 307.350 1.574 20 5 DDBDHN CCCN1CC[C@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000598342278 357545382 /nfs/dbraw/zinc/54/53/82/357545382.db2.gz LMGHEJPVDZDDOA-NSHDSACASA-N 0 3 307.350 1.818 20 5 DDBDHN C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[NH2+]1 ZINC000599105761 357817684 /nfs/dbraw/zinc/81/76/84/357817684.db2.gz QBKRMRVODVZMOU-JGVFFNPUSA-N 0 3 305.381 1.075 20 5 DDBDHN C[C@@H](NCCNC(=O)c1ccn[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000180210138 199130797 /nfs/dbraw/zinc/13/07/97/199130797.db2.gz GRFFODFDBKHRAN-SNVBAGLBSA-N 0 3 303.322 1.399 20 5 DDBDHN CO[C@](C)(CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602440497 358977985 /nfs/dbraw/zinc/97/79/85/358977985.db2.gz USXDSKUTIPQBHS-MRXNPFEDSA-N 0 3 320.393 1.927 20 5 DDBDHN Cn1cc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c([N+](=O)[O-])n1 ZINC000602822349 359217536 /nfs/dbraw/zinc/21/75/36/359217536.db2.gz RUFPZLWNHUPWMO-JHJVBQTASA-N 0 3 306.366 1.766 20 5 DDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCc2ncnn21 ZINC000602832341 359223342 /nfs/dbraw/zinc/22/33/42/359223342.db2.gz UPMLFLLCGUVUBB-ZDUSSCGKSA-N 0 3 301.350 1.848 20 5 DDBDHN Cn1cncc1CCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962519 359325525 /nfs/dbraw/zinc/32/55/25/359325525.db2.gz LPFOBNCXCUNODW-HNNXBMFYSA-N 0 3 304.350 1.368 20 5 DDBDHN CO[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)[C@](C)(CO)C1 ZINC000602964529 359327783 /nfs/dbraw/zinc/32/77/83/359327783.db2.gz QZKMVBBUWMCDFW-CABCVRRESA-N 0 3 310.350 1.445 20 5 DDBDHN CO[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)[C@@](C)(CO)C1 ZINC000602965035 359329161 /nfs/dbraw/zinc/32/91/61/359329161.db2.gz YDDXYAJCFPXIQG-HUUCEWRRSA-N 0 3 310.350 1.445 20 5 DDBDHN C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000186879230 200026318 /nfs/dbraw/zinc/02/63/18/200026318.db2.gz FJBBQDJVHUNRMA-FZMZJTMJSA-N 0 3 307.350 1.626 20 5 DDBDHN Cc1cc(OCC(=O)N(C)CCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000281121435 216093177 /nfs/dbraw/zinc/09/31/77/216093177.db2.gz ULBQKCWDMTVKFE-UHFFFAOYSA-N 0 3 321.377 1.835 20 5 DDBDHN Cn1nnnc1CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618571445 363678016 /nfs/dbraw/zinc/67/80/16/363678016.db2.gz QVLPNELOVBZJRV-CYBMUJFWSA-N 0 3 302.338 1.328 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(CCO)CC2)c1 ZINC000609312331 360291849 /nfs/dbraw/zinc/29/18/49/360291849.db2.gz PBGIOXDMSBMEAY-OAHLLOKOSA-N 0 3 324.377 1.429 20 5 DDBDHN COCCN1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000609919667 360364712 /nfs/dbraw/zinc/36/47/12/360364712.db2.gz WWQNTAJVGAJIJP-ZDUSSCGKSA-N 0 3 322.365 1.115 20 5 DDBDHN O=C([C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000610453353 360440630 /nfs/dbraw/zinc/44/06/30/360440630.db2.gz XFYNYNWNQLZZJA-CYBMUJFWSA-N 0 3 321.381 1.126 20 5 DDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000611528070 360749166 /nfs/dbraw/zinc/74/91/66/360749166.db2.gz BPJFSVPSCRHTDX-NSHDSACASA-N 0 3 304.350 1.391 20 5 DDBDHN Cc1cc([N+](=O)[O-])nn1C[C@@H](O)CN(C)Cc1ccccc1 ZINC000612605180 361079293 /nfs/dbraw/zinc/07/92/93/361079293.db2.gz IELZJPXQHKJIQA-AWEZNQCLSA-N 0 3 304.350 1.593 20 5 DDBDHN CC[C@@H]1CN(C)CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000619566995 364063620 /nfs/dbraw/zinc/06/36/20/364063620.db2.gz GUILFSCCCUILBY-CYBMUJFWSA-N 0 3 321.377 1.916 20 5 DDBDHN N[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000261929333 203155234 /nfs/dbraw/zinc/15/52/34/203155234.db2.gz ZPTRJGXLHYTTRJ-AWEZNQCLSA-N 0 3 307.350 1.007 20 5 DDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)N1CCCC[C@H]1C ZINC000350014785 284132338 /nfs/dbraw/zinc/13/23/38/284132338.db2.gz QMUXUGYLPUOYTD-GHMZBOCLSA-N 0 3 321.381 1.565 20 5 DDBDHN CCCc1n[nH]c(C(=O)NC[C@H]2CCCCN2CC)c1[N+](=O)[O-] ZINC000264954366 204300826 /nfs/dbraw/zinc/30/08/26/204300826.db2.gz VCLHFWKWQWDHLX-LLVKDONJSA-N 0 3 323.397 1.875 20 5 DDBDHN CC[C@@H]1CCCCN1CCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000265028007 204351821 /nfs/dbraw/zinc/35/18/21/204351821.db2.gz XAOGHFNITUKAIH-CYBMUJFWSA-N 0 3 323.397 1.480 20 5 DDBDHN COC(=O)CC[C@H](N)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000288507485 220187288 /nfs/dbraw/zinc/18/72/88/220187288.db2.gz BQLGDWCWDQEJKD-PWSUYJOCSA-N 0 3 323.349 1.361 20 5 DDBDHN CN(C)[C@]1(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCSC1 ZINC000267082931 205795031 /nfs/dbraw/zinc/79/50/31/205795031.db2.gz GVJYRKLDYCNIJY-AWEZNQCLSA-N 0 3 324.406 1.344 20 5 DDBDHN CS(=O)(=O)N1CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000036828168 182846265 /nfs/dbraw/zinc/84/62/65/182846265.db2.gz MVWRYIFJTIVBPB-UHFFFAOYSA-N 0 3 313.379 1.108 20 5 DDBDHN CC(C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000271837297 209256129 /nfs/dbraw/zinc/25/61/29/209256129.db2.gz TWTAPIWQUSFUFC-DTWKUNHWSA-N 0 3 300.336 1.205 20 5 DDBDHN CN(C)CCN(C)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000111151596 194396600 /nfs/dbraw/zinc/39/66/00/194396600.db2.gz ACGSQJGAPOQSGC-UHFFFAOYSA-N 0 3 300.746 1.464 20 5 DDBDHN CNC(=O)NC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064349999 184295555 /nfs/dbraw/zinc/29/55/55/184295555.db2.gz QNFGPBZLBHPTDR-UHFFFAOYSA-N 0 3 322.365 1.651 20 5 DDBDHN COCCNC(=O)C1(N[C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000414182718 532997092 /nfs/dbraw/zinc/99/70/92/532997092.db2.gz MHFNBVGCLFDISK-LBPRGKRZSA-N 0 3 321.377 1.411 20 5 DDBDHN COCCNCCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417146585 533021608 /nfs/dbraw/zinc/02/16/08/533021608.db2.gz YJARZEKTPTUEQJ-NSHDSACASA-N 0 3 310.354 1.191 20 5 DDBDHN O=[N+]([O-])c1c(N2CC[C@@H](N3CCCC3)C2)nc2sccn21 ZINC000301145607 285077673 /nfs/dbraw/zinc/07/76/73/285077673.db2.gz JIXPQSGIRKAAOC-SNVBAGLBSA-N 0 3 307.379 1.979 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)C[C@@H]1COCCN1 ZINC000422711133 533222081 /nfs/dbraw/zinc/22/20/81/533222081.db2.gz GRAUZRNZMPFUIJ-DGCLKSJQSA-N 0 3 309.366 1.460 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C1CC1)[C@@H]1CNCCO1 ZINC000422718203 533222415 /nfs/dbraw/zinc/22/24/15/533222415.db2.gz PIEMKJNPXZSSRX-JKSUJKDBSA-N 0 3 321.377 1.460 20 5 DDBDHN C[C@H]1CSC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000352814416 285318336 /nfs/dbraw/zinc/31/83/36/285318336.db2.gz GERDHOXYLIHQBJ-GXFFZTMASA-N 0 3 321.402 1.825 20 5 DDBDHN CC(C)[C@@](C)(CO)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000352908378 285379921 /nfs/dbraw/zinc/37/99/21/285379921.db2.gz GXNHEMFBSQESRJ-MRXNPFEDSA-N 0 3 321.377 1.481 20 5 DDBDHN Cc1ccnc([C@@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000569739209 304376172 /nfs/dbraw/zinc/37/61/72/304376172.db2.gz LHQSCHXQXSSHPZ-CYBMUJFWSA-N 0 3 301.350 1.984 20 5 DDBDHN CNC(=O)C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055900455 407208080 /nfs/dbraw/zinc/20/80/80/407208080.db2.gz NBLJTMGVBNQUOB-UHFFFAOYSA-N 0 3 321.377 1.822 20 5 DDBDHN CN(CCN1CCCC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000103117963 407331484 /nfs/dbraw/zinc/33/14/84/407331484.db2.gz AMRMNIGIDNNIIY-UHFFFAOYSA-N 0 3 317.349 1.639 20 5 DDBDHN Cc1cc(C(=O)NC2CCN(C3CC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104139683 407347984 /nfs/dbraw/zinc/34/79/84/407347984.db2.gz JLEAEANDIFHCQP-UHFFFAOYSA-N 0 3 318.377 1.842 20 5 DDBDHN CNC(=O)[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000111262950 407402930 /nfs/dbraw/zinc/40/29/30/407402930.db2.gz QWIJDSXXOHTKFC-GFCCVEGCSA-N 0 3 307.350 1.432 20 5 DDBDHN N[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCOCC1 ZINC000261680779 407576805 /nfs/dbraw/zinc/57/68/05/407576805.db2.gz GYYUVAYHWKCZLX-OAHLLOKOSA-N 0 3 319.361 1.233 20 5 DDBDHN CN(C)[C@@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000170863850 407534853 /nfs/dbraw/zinc/53/48/53/407534853.db2.gz OQTWPIKJNXMVOU-LLVKDONJSA-N 0 3 302.334 1.852 20 5 DDBDHN CN(C[C@@H]1CCOC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000178780309 407598268 /nfs/dbraw/zinc/59/82/68/407598268.db2.gz FHUVDBOOGVKANM-SWLSCSKDSA-N 0 3 319.361 1.668 20 5 DDBDHN COCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000152359174 407621195 /nfs/dbraw/zinc/62/11/95/407621195.db2.gz HDPGCOCPCULSQK-UHFFFAOYSA-N 0 3 315.395 1.663 20 5 DDBDHN CCN(C)C(=O)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000153512032 407841191 /nfs/dbraw/zinc/84/11/91/407841191.db2.gz BBJXIGPASNABMT-GFCCVEGCSA-N 0 3 321.381 1.344 20 5 DDBDHN CC(C)NC(=O)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173470802 407882455 /nfs/dbraw/zinc/88/24/55/407882455.db2.gz XFEOEDCLGOGLQS-LBPRGKRZSA-N 0 3 321.381 1.391 20 5 DDBDHN CCN1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000118827024 407948399 /nfs/dbraw/zinc/94/83/99/407948399.db2.gz HFVOEAYYINJYEI-ZDUSSCGKSA-N 0 3 320.393 1.949 20 5 DDBDHN Cc1c(CC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000272520980 407961589 /nfs/dbraw/zinc/96/15/89/407961589.db2.gz PWWGFRJQIGPQFO-BBRMVZONSA-N 0 3 317.389 1.998 20 5 DDBDHN COc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268242968 407964139 /nfs/dbraw/zinc/96/41/39/407964139.db2.gz VGABIQLVQBMZAW-GWCFXTLKSA-N 0 3 319.361 1.816 20 5 DDBDHN CN(C)C1(CN(C)C(=O)c2c(N)cccc2[N+](=O)[O-])CCC1 ZINC000189513842 408039777 /nfs/dbraw/zinc/03/97/77/408039777.db2.gz NZZYSQPYRZPJDH-UHFFFAOYSA-N 0 3 306.366 1.733 20 5 DDBDHN Cc1ccc([C@@H](C)NC[C@@H](O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000181830941 408043924 /nfs/dbraw/zinc/04/39/24/408043924.db2.gz XGFWDNLRUCQRMJ-UKRRQHHQSA-N 0 3 323.393 1.247 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272596237 408001698 /nfs/dbraw/zinc/00/16/98/408001698.db2.gz IMISXLNLOUTTKI-YGRLFVJLSA-N 0 3 304.350 1.343 20 5 DDBDHN Cc1nc(N2CCN(C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000268458888 408052800 /nfs/dbraw/zinc/05/28/00/408052800.db2.gz HHYYZGPELYVOJU-CYBMUJFWSA-N 0 3 306.366 1.457 20 5 DDBDHN CC[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000273121061 408065068 /nfs/dbraw/zinc/06/50/68/408065068.db2.gz HMMOILAFVIHNSM-YRGRVCCFSA-N 0 3 310.350 1.037 20 5 DDBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000182259727 408111124 /nfs/dbraw/zinc/11/11/24/408111124.db2.gz RLDNYIMREMTOMM-NEPJUHHUSA-N 0 3 312.391 1.772 20 5 DDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN2CCC[C@H]2C1 ZINC000246206935 408176783 /nfs/dbraw/zinc/17/67/83/408176783.db2.gz AARMECHHBSQGDS-DOMZBBRYSA-N 0 3 318.377 1.702 20 5 DDBDHN CCOC(=O)C[C@@H](C)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000182625916 408208907 /nfs/dbraw/zinc/20/89/07/408208907.db2.gz QOBRXDPWTZDNBD-LLVKDONJSA-N 0 3 311.338 1.030 20 5 DDBDHN CC(C)c1ccc(C(=O)NC[C@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000190279838 408210548 /nfs/dbraw/zinc/21/05/48/408210548.db2.gz FAVBCINCALNVLF-INIZCTEOSA-N 0 3 323.393 1.761 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)NCCN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000269342842 408276562 /nfs/dbraw/zinc/27/65/62/408276562.db2.gz DMALOXSSVQAFDH-UHFFFAOYSA-N 0 3 323.397 1.903 20 5 DDBDHN COc1cc(OCC(=O)NCCN2CCCC2)ccc1[N+](=O)[O-] ZINC000172126695 162259134 /nfs/dbraw/zinc/25/91/34/162259134.db2.gz VLSBVMJSVHVTBQ-UHFFFAOYSA-N 0 3 323.349 1.194 20 5 DDBDHN COc1cc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177094004 408516514 /nfs/dbraw/zinc/51/65/14/408516514.db2.gz IWCMWSZXSGEZSB-JQWIXIFHSA-N 0 3 319.361 1.958 20 5 DDBDHN COc1cc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177094021 408517174 /nfs/dbraw/zinc/51/71/74/408517174.db2.gz IWCMWSZXSGEZSB-ZYHUDNBSSA-N 0 3 319.361 1.958 20 5 DDBDHN CN(C)[C@@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000270518379 408560068 /nfs/dbraw/zinc/56/00/68/408560068.db2.gz MJRUOGDJLOLILC-OAHLLOKOSA-N 0 3 320.393 1.873 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000177159455 408540044 /nfs/dbraw/zinc/54/00/44/408540044.db2.gz QULFGRXFEHRGLQ-QWRGUYRKSA-N 0 3 319.361 1.958 20 5 DDBDHN CN(C)CCc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000275656361 408634071 /nfs/dbraw/zinc/63/40/71/408634071.db2.gz NPEAPVYCFQWRKO-UHFFFAOYSA-N 0 3 317.349 1.534 20 5 DDBDHN CN(C)C1(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCC1 ZINC000275960502 408731027 /nfs/dbraw/zinc/73/10/27/408731027.db2.gz KMMVXPTWCPYICJ-UHFFFAOYSA-N 0 3 321.333 1.538 20 5 DDBDHN CC(C)CN(C(=O)c1nn(C)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000270833290 408699135 /nfs/dbraw/zinc/69/91/35/408699135.db2.gz UDEKHJOYBXUBSD-UHFFFAOYSA-N 0 3 323.397 1.521 20 5 DDBDHN CCN(C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000194837169 408801036 /nfs/dbraw/zinc/80/10/36/408801036.db2.gz TWVSMOBYVKFRDO-UHFFFAOYSA-N 0 3 310.354 1.354 20 5 DDBDHN C[C@@H]1C[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CN1C1CC1 ZINC000290839174 408841205 /nfs/dbraw/zinc/84/12/05/408841205.db2.gz VQPLXSDNOHAHHA-KOLCDFICSA-N 0 3 304.350 1.731 20 5 DDBDHN C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3nonc32)[C@@H](C)C1 ZINC000277791495 409012826 /nfs/dbraw/zinc/01/28/26/409012826.db2.gz NJIXGLTXAXHXQR-UWVGGRQHSA-N 0 3 321.337 1.022 20 5 DDBDHN COC[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000279046001 409138426 /nfs/dbraw/zinc/13/84/26/409138426.db2.gz JXKYMGWNARTYRY-KKUMJFAQSA-N 0 3 310.350 1.412 20 5 DDBDHN C[C@H](CN1CCOCC1)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293592119 409144051 /nfs/dbraw/zinc/14/40/51/409144051.db2.gz FMOSVVVOJTYZON-NEPJUHHUSA-N 0 3 308.382 1.548 20 5 DDBDHN O=C(CN[C@@H]1CCC[C@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000279262731 409180927 /nfs/dbraw/zinc/18/09/27/409180927.db2.gz MLRCYSRFSASAGU-NWDGAFQWSA-N 0 3 307.350 1.674 20 5 DDBDHN COc1ccc(CNC[C@H](CO)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280315852 409290857 /nfs/dbraw/zinc/29/08/57/409290857.db2.gz OUWUNENRQDNYLV-QWHCGFSZSA-N 0 3 310.350 1.338 20 5 DDBDHN Cc1cc(OCC(=O)N2CCC[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000280468408 409316828 /nfs/dbraw/zinc/31/68/28/409316828.db2.gz GGIVHMDNFRIOPS-CYBMUJFWSA-N 0 3 321.377 1.835 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000295498739 409318290 /nfs/dbraw/zinc/31/82/90/409318290.db2.gz PBGBMBXMUBAYGJ-ZDUSSCGKSA-N 0 3 321.377 1.480 20 5 DDBDHN CC(C)N(C)C[C@@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000290458406 409408846 /nfs/dbraw/zinc/40/88/46/409408846.db2.gz YBFNZIPHZFTLKE-LLVKDONJSA-N 0 3 322.365 1.378 20 5 DDBDHN Cc1ccc([C@H](C)NC(=O)CCOC2CNC2)cc1[N+](=O)[O-] ZINC000349001644 409641904 /nfs/dbraw/zinc/64/19/04/409641904.db2.gz OIBSPBAIOHTFRC-NSHDSACASA-N 0 3 307.350 1.459 20 5 DDBDHN C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])[n-]3)CC2)CCO1 ZINC000345051014 409606749 /nfs/dbraw/zinc/60/67/49/409606749.db2.gz JFTCDUUAMAJHTE-NSHDSACASA-N 0 3 322.365 1.248 20 5 DDBDHN C[C@H]1C[N@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])[n-]3)CC2)CCO1 ZINC000345051014 409606755 /nfs/dbraw/zinc/60/67/55/409606755.db2.gz JFTCDUUAMAJHTE-NSHDSACASA-N 0 3 322.365 1.248 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000342471211 409659858 /nfs/dbraw/zinc/65/98/58/409659858.db2.gz WUPHNLZKBSKSRV-YGRLFVJLSA-N 0 3 319.361 1.816 20 5 DDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000346142388 409819729 /nfs/dbraw/zinc/81/97/29/409819729.db2.gz XYLHAEYFOCHILB-VXGBXAGGSA-N 0 3 306.366 1.632 20 5 DDBDHN CCCN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000342802633 409916561 /nfs/dbraw/zinc/91/65/61/409916561.db2.gz ONMKBBUACPJKTA-UHFFFAOYSA-N 0 3 323.397 1.666 20 5 DDBDHN C[C@H]1[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCCN1C ZINC000343472010 410476757 /nfs/dbraw/zinc/47/67/57/410476757.db2.gz ZGDWPQBAXGHDIO-QWHCGFSZSA-N 0 3 320.393 1.630 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000330585669 410802424 /nfs/dbraw/zinc/80/24/24/410802424.db2.gz LMJAWGNPQMDSOE-IPYPFGDCSA-N 0 3 323.393 1.359 20 5 DDBDHN C[C@@H](N[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(=O)NCCF ZINC000337502575 410828724 /nfs/dbraw/zinc/82/87/24/410828724.db2.gz LYZYGLSHINKFSQ-BXUZGUMPSA-N 0 3 323.368 1.980 20 5 DDBDHN COC[C@@H](C)NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353209171 410855174 /nfs/dbraw/zinc/85/51/74/410855174.db2.gz RKCHTUGXEAEXIW-SNVBAGLBSA-N 0 3 312.322 1.271 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C2)CCCN(C)C3)n1 ZINC000356253897 410922386 /nfs/dbraw/zinc/92/23/86/410922386.db2.gz NKZSBITVCYXNFV-OAHLLOKOSA-N 0 3 321.381 1.369 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C1CC(O)C1 ZINC000353473737 411011843 /nfs/dbraw/zinc/01/18/43/411011843.db2.gz VBFUAKJVPXNERP-UHFFFAOYSA-N 0 3 307.350 1.687 20 5 DDBDHN Cc1ccc(CN(C)C)cc1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000361207878 418605910 /nfs/dbraw/zinc/60/59/10/418605910.db2.gz BRLLMFUPNCMDTB-UHFFFAOYSA-N 0 3 318.337 1.195 20 5 DDBDHN COc1ccc(CN(C)C2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000362023312 418740728 /nfs/dbraw/zinc/74/07/28/418740728.db2.gz HYJRROFQCXCXPI-UHFFFAOYSA-N 0 3 310.350 1.577 20 5 DDBDHN CN1CC[C@@H](CNc2ncc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000364961221 418827729 /nfs/dbraw/zinc/82/77/29/418827729.db2.gz YAOHNDLEYFUKHU-GXFFZTMASA-N 0 3 319.390 2.551 20 5 DDBDHN Cc1ccc([C@H](C)NC(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000417822249 419342620 /nfs/dbraw/zinc/34/26/20/419342620.db2.gz FJFLUCYWYMXEQC-WCQYABFASA-N 0 3 322.365 1.252 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC(=O)N(C)C1=O ZINC000424311801 228257133 /nfs/dbraw/zinc/25/71/33/228257133.db2.gz FTKWPPZEHRPAPT-ZYHUDNBSSA-N 0 3 305.334 1.263 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](CO)[C@H]1CCCOC1 ZINC000411991893 419547440 /nfs/dbraw/zinc/54/74/40/419547440.db2.gz YMMBJGMKIQLKSO-SMDDNHRTSA-N 0 3 310.350 1.481 20 5 DDBDHN CN(C[C@@H]1CCCN1C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000421705316 419690466 /nfs/dbraw/zinc/69/04/66/419690466.db2.gz QZLAUXLJRUMRJM-ZDUSSCGKSA-N 0 3 320.393 1.584 20 5 DDBDHN CC(C)(NC(=O)NC[C@@H]1CNCCO1)c1ccccc1[N+](=O)[O-] ZINC000418777866 419978983 /nfs/dbraw/zinc/97/89/83/419978983.db2.gz YXSMNODEDHHKPF-NSHDSACASA-N 0 3 322.365 1.118 20 5 DDBDHN O=C(C[C@H]1CNCCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423724263 420142259 /nfs/dbraw/zinc/14/22/59/420142259.db2.gz MQRKSRVTDLWOHP-AWEZNQCLSA-N 0 3 319.361 1.464 20 5 DDBDHN CN(C(=O)CN1CCNC[C@](C)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000420330001 420214100 /nfs/dbraw/zinc/21/41/00/420214100.db2.gz KVDGYCIDYCEKMD-HNNXBMFYSA-N 0 3 324.356 1.191 20 5 DDBDHN C[C@@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000493269288 420805185 /nfs/dbraw/zinc/80/51/85/420805185.db2.gz QBRLMXRXHKWRGY-FPNIURKZSA-N 0 3 307.325 1.956 20 5 DDBDHN CO[C@@H]1COC[C@@H]1N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000459759598 420867204 /nfs/dbraw/zinc/86/72/04/420867204.db2.gz RFPTUJFJPCYXDQ-LEWSCRJBSA-N 0 3 323.349 1.315 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CNCCC2(F)F)c1 ZINC000449667937 421054948 /nfs/dbraw/zinc/05/49/48/421054948.db2.gz VWNBERPHACDJKS-NSHDSACASA-N 0 3 315.276 1.330 20 5 DDBDHN CNc1nc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000455996172 421086152 /nfs/dbraw/zinc/08/61/52/421086152.db2.gz OZMSABPLEXPVTN-MFKMUULPSA-N 0 3 319.365 1.198 20 5 DDBDHN CC(C)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000562401021 421361514 /nfs/dbraw/zinc/36/15/14/421361514.db2.gz PLDVONYQIYKHDE-CYBMUJFWSA-N 0 3 323.397 1.804 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCc3cc(F)ccc32)c1 ZINC000519068577 421678471 /nfs/dbraw/zinc/67/84/71/421678471.db2.gz KYCGTEQTNKCONF-HIFRSBDPSA-N 0 3 320.324 1.568 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCNC(=O)c1ccn[nH]1 ZINC000540953243 421778215 /nfs/dbraw/zinc/77/82/15/421778215.db2.gz QDHFQDWUKJGBCA-NSHDSACASA-N 0 3 317.349 1.707 20 5 DDBDHN CCc1nn(C)c(N2CCN(C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000574898175 422209153 /nfs/dbraw/zinc/20/91/53/422209153.db2.gz HEASUWOBIJBEAC-NSHDSACASA-N 0 3 307.398 1.811 20 5 DDBDHN Cc1c(CN)c(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)nn1C ZINC000595961923 422359720 /nfs/dbraw/zinc/35/97/20/422359720.db2.gz MVNVDIYOVHCJSJ-UHFFFAOYSA-N 0 3 303.322 1.656 20 5 DDBDHN O=[N+]([O-])c1ccc2nc(NCCN3CC[C@H](O)C3)ccc2c1 ZINC000599198979 422404720 /nfs/dbraw/zinc/40/47/20/422404720.db2.gz DKRKSDKCRMYNMU-ZDUSSCGKSA-N 0 3 302.334 1.622 20 5 DDBDHN COC1(C)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000342127777 271308942 /nfs/dbraw/zinc/30/89/42/271308942.db2.gz AKROPIOVPPFCNS-CQSZACIVSA-N 0 3 324.377 1.835 20 5 DDBDHN Cn1c(C(=O)N2CCC[C@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000344603834 272069341 /nfs/dbraw/zinc/06/93/41/272069341.db2.gz KILAGCKQFWADIH-LBPRGKRZSA-N 0 3 306.366 1.634 20 5 DDBDHN Cn1cc(CNCCN2CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344845506 272129098 /nfs/dbraw/zinc/12/90/98/272129098.db2.gz JSLJERPIKYVGCV-UHFFFAOYSA-N 0 3 315.377 1.791 20 5 DDBDHN CC(C)(NC(=O)[C@H](N)CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000345704456 272309324 /nfs/dbraw/zinc/30/93/24/272309324.db2.gz DNNPZLVQLNGRPD-SNVBAGLBSA-N 0 3 301.293 1.929 20 5 DDBDHN CCN(CCO)CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000274461100 276132840 /nfs/dbraw/zinc/13/28/40/276132840.db2.gz XNFKKKDLNKHGGG-UHFFFAOYSA-N 0 3 301.774 1.652 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](N3CCCC3)C2)n1 ZINC000367281387 300821285 /nfs/dbraw/zinc/82/12/85/300821285.db2.gz XHIZPZWRNYMNMZ-LLVKDONJSA-N 0 3 307.354 1.029 20 5 DDBDHN CC(C)OC[C@H](O)CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369012210 301119101 /nfs/dbraw/zinc/11/91/01/301119101.db2.gz UMXJYJZBBXLXBR-TZMCWYRMSA-N 0 3 312.370 1.214 20 5 DDBDHN C[C@@H](CN1CCOCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369494864 301190908 /nfs/dbraw/zinc/19/09/08/301190908.db2.gz VHHITHKQHGVRQI-ZDUSSCGKSA-N 0 3 323.397 1.149 20 5 DDBDHN CCOCC[C@@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369681409 301211750 /nfs/dbraw/zinc/21/17/50/301211750.db2.gz LKUQNKXXSNEADO-CYBMUJFWSA-N 0 3 312.370 1.216 20 5 DDBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000370491588 301350328 /nfs/dbraw/zinc/35/03/28/301350328.db2.gz MNKLKPZHCSWZLX-SNVBAGLBSA-N 0 3 322.340 1.626 20 5 DDBDHN COc1cc(N2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000375901681 302012839 /nfs/dbraw/zinc/01/28/39/302012839.db2.gz CRIOCWMJSJGTAX-UKRRQHHQSA-N 0 3 321.377 1.639 20 5 DDBDHN CN1CCC(O)(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000397526922 302355064 /nfs/dbraw/zinc/35/50/64/302355064.db2.gz IWKLIUQWPZXLRO-SREVYHEPSA-N 0 3 319.361 1.181 20 5 DDBDHN Cc1cc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])ccn1 ZINC000516965659 302803532 /nfs/dbraw/zinc/80/35/32/302803532.db2.gz GKGVXUSFMVPYDV-AWEZNQCLSA-N 0 3 317.345 1.828 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000532873516 303300103 /nfs/dbraw/zinc/30/01/03/303300103.db2.gz PCRBDDJMHNKITI-DGCLKSJQSA-N 0 3 306.366 1.490 20 5 DDBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NC[C@H](C)S(C)(=O)=O ZINC000537940348 303381460 /nfs/dbraw/zinc/38/14/60/303381460.db2.gz FTRDFASDVJBZJN-RYUDHWBXSA-N 0 3 314.407 1.939 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN[C@@H]2c3ccccc3CC[C@H]2CO)c1 ZINC000364584064 307048586 /nfs/dbraw/zinc/04/85/86/307048586.db2.gz PDMIDWNIPQNKLQ-BBRMVZONSA-N 0 3 316.361 1.677 20 5 DDBDHN CNC(=O)c1ccc(N2CC[C@H]3CCN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000365018716 307056525 /nfs/dbraw/zinc/05/65/25/307056525.db2.gz ORTLMWBXFZELFR-IAQYHMDHSA-N 0 3 318.377 1.485 20 5 DDBDHN CSC[C@H](O)CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372294468 307167657 /nfs/dbraw/zinc/16/76/57/307167657.db2.gz JNMAYJPFDUZMTI-ZYHUDNBSSA-N 0 3 300.384 1.152 20 5 DDBDHN C[C@H]1N(CCn2cc([N+](=O)[O-])ccc2=O)CCC12CCOCC2 ZINC000375243276 307219516 /nfs/dbraw/zinc/21/95/16/307219516.db2.gz WICBLJBSSBMTMH-CYBMUJFWSA-N 0 3 321.377 1.648 20 5 DDBDHN COc1cc(C(=O)N2CC[C@H]3CCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000376642890 307251189 /nfs/dbraw/zinc/25/11/89/307251189.db2.gz MLLUEUZLLUSESB-RISCZKNCSA-N 0 3 319.361 1.770 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCCc3occc32)c1 ZINC000572952643 308228268 /nfs/dbraw/zinc/22/82/68/308228268.db2.gz BHSWZOSSEVAKCM-AAEUAGOBSA-N 0 3 306.322 1.412 20 5 DDBDHN CNc1c(C(=O)NC[C@H](C)N2CCCC2)cccc1[N+](=O)[O-] ZINC000387757887 325767240 /nfs/dbraw/zinc/76/72/40/325767240.db2.gz FALUGZNETGBXEO-NSHDSACASA-N 0 3 306.366 1.851 20 5 DDBDHN Cc1nn(C)c(N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488736631 484216860 /nfs/dbraw/zinc/21/68/60/484216860.db2.gz VIZKZPOXXSEUNP-NTZNESFSSA-N 0 3 307.398 1.803 20 5 DDBDHN C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000292812999 534075702 /nfs/dbraw/zinc/07/57/02/534075702.db2.gz YGNGIIUNEOIWOU-VIFPVBQESA-N 0 3 319.358 1.210 20 5 DDBDHN COc1ccc(NC(=O)CN[C@@]2(C)CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000494242318 534082165 /nfs/dbraw/zinc/08/21/65/534082165.db2.gz RMXAXPQPAWAFPW-BONVTDFDSA-N 0 3 323.349 1.699 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCOC[C@H]1C ZINC000433179289 534340010 /nfs/dbraw/zinc/34/00/10/534340010.db2.gz WEUKLLXZUAUHFM-YPMHNXCESA-N 0 3 307.350 1.856 20 5 DDBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1[NH+](C)C ZINC000820774424 606804248 /nfs/dbraw/zinc/80/42/48/606804248.db2.gz CMGXGCBXXNLHJA-TVQRCGJNSA-N 0 3 317.353 1.161 20 5 DDBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1[NH+](C)C ZINC000820774424 606804249 /nfs/dbraw/zinc/80/42/49/606804249.db2.gz CMGXGCBXXNLHJA-TVQRCGJNSA-N 0 3 317.353 1.161 20 5 DDBDHN O=[N+]([O-])c1cccc(-c2noc(C[C@H]3CSCCN3)n2)c1 ZINC000091128915 696586032 /nfs/dbraw/zinc/58/60/32/696586032.db2.gz XAVBPRGQCAZVIR-JTQLQIEISA-N 0 3 306.347 1.892 20 5 DDBDHN CN(CC(F)F)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000749846092 700189653 /nfs/dbraw/zinc/18/96/53/700189653.db2.gz JKYYYCORNFKBPD-UHFFFAOYSA-N 0 3 317.340 1.453 20 5 DDBDHN CCN(C[C@H]1CCOC1)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749953224 700194437 /nfs/dbraw/zinc/19/44/37/700194437.db2.gz CJFAQWQAHJMRJY-GFCCVEGCSA-N 0 3 319.365 1.964 20 5 DDBDHN CN(C)CCN(C)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000782001674 698672174 /nfs/dbraw/zinc/67/21/74/698672174.db2.gz JUUOZMFQKXMHOY-UHFFFAOYSA-N 0 3 324.337 1.456 20 5 DDBDHN COC(=O)[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000787326588 699206181 /nfs/dbraw/zinc/20/61/81/699206181.db2.gz IMCGWWXDCBCSOX-GDLCADMTSA-N 0 3 308.334 1.512 20 5 DDBDHN C[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788665596 699332577 /nfs/dbraw/zinc/33/25/77/699332577.db2.gz PBVIHWKOZYBSKX-JCRCQARHSA-N 0 3 318.377 1.837 20 5 DDBDHN C[C@@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000744800164 699961342 /nfs/dbraw/zinc/96/13/42/699961342.db2.gz UIPAULPENBVXKW-GFCCVEGCSA-N 0 3 320.393 1.732 20 5 DDBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000807987421 701493423 /nfs/dbraw/zinc/49/34/23/701493423.db2.gz LHVZBCVGBFYGEC-SNVBAGLBSA-N 0 3 324.356 1.872 20 5 DDBDHN Cc1cc(F)cc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000816953611 702237959 /nfs/dbraw/zinc/23/79/59/702237959.db2.gz KJWUOKUPMYUVMQ-GXFFZTMASA-N 0 3 307.325 1.818 20 5 DDBDHN CC(COC(=O)COc1ccc2ccc(=O)oc2c1)[N+](=O)[O-] ZINC000813105377 702292953 /nfs/dbraw/zinc/29/29/53/702292953.db2.gz YFKKAPVTTKFSTL-VIFPVBQESA-N 0 3 307.258 1.380 20 5 DDBDHN CC(C)CNC(=O)N1CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813105754 702293248 /nfs/dbraw/zinc/29/32/48/702293248.db2.gz UCDRRSOULKDCGI-VXGBXAGGSA-N 0 3 315.370 1.272 20 5 DDBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](CO)[C@H]2CO)c1 ZINC000879362636 706661367 /nfs/dbraw/zinc/66/13/67/706661367.db2.gz XXLHLULSCNVKOX-SWLSCSKDSA-N 0 3 310.350 1.039 20 5 DDBDHN CON(C)C(=O)[C@@H](C)N[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866400229 706689778 /nfs/dbraw/zinc/68/97/78/706689778.db2.gz ZSQVIDKZGWIFJR-NXEZZACHSA-N 0 3 313.329 1.663 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H]2c3ccccc3C[C@H]2O)c1 ZINC000843071381 702813434 /nfs/dbraw/zinc/81/34/34/702813434.db2.gz ZRZVUVYTTVLQAP-IKGGRYGDSA-N 0 3 314.341 1.876 20 5 DDBDHN Cc1cc(-c2noc(C[C@@H]3CNCCO3)n2)cc([N+](=O)[O-])c1 ZINC000843239012 702847732 /nfs/dbraw/zinc/84/77/32/702847732.db2.gz CUUWGLHMLXDXOS-GFCCVEGCSA-N 0 3 304.306 1.484 20 5 DDBDHN CC([C@H](OC(=O)c1ncn(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845882393 703211925 /nfs/dbraw/zinc/21/19/25/703211925.db2.gz OQBSQGDYDFRMSA-KCJUWKMLSA-N 0 3 308.269 1.518 20 5 DDBDHN CC(=O)N1CC(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000845883468 703212403 /nfs/dbraw/zinc/21/24/03/703212403.db2.gz SXMKHLYKKNYZKJ-LKFCYVNXSA-N 0 3 324.308 1.554 20 5 DDBDHN C[NH2+]C(C)(C)C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848585745 703565842 /nfs/dbraw/zinc/56/58/42/703565842.db2.gz OMMGQBMBRBWBNH-UHFFFAOYSA-N 0 3 317.292 1.681 20 5 DDBDHN CC(C)(C)[S@@](=O)CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819054789 704060828 /nfs/dbraw/zinc/06/08/28/704060828.db2.gz BOZXSKLQZYREFA-ASSNKEHSSA-N 0 3 314.407 1.765 20 5 DDBDHN CN(CC1CN(C)C1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000853553395 704267148 /nfs/dbraw/zinc/26/71/48/704267148.db2.gz NXIHQQYHERNTGV-UHFFFAOYSA-N 0 3 318.175 1.005 20 5 DDBDHN [NH3+]C[C@H]([N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000857765969 704622300 /nfs/dbraw/zinc/62/23/00/704622300.db2.gz WAGCQYAPBHWSLS-NSHDSACASA-N 0 3 315.276 1.420 20 5 DDBDHN C[C@H](NS(=O)(=O)CCCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000867316804 706958394 /nfs/dbraw/zinc/95/83/94/706958394.db2.gz WYANODNCXZNYBF-NSHDSACASA-N 0 3 315.395 1.527 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874845027 705199245 /nfs/dbraw/zinc/19/92/45/705199245.db2.gz FFHMFTMKXKPHGU-KBPBESRZSA-N 0 3 319.361 1.912 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H](n3ccnn3)C2)c1 ZINC000823469100 705250272 /nfs/dbraw/zinc/25/02/72/705250272.db2.gz OQPLJUWJXPHQFP-GJZGRUSLSA-N 0 3 317.349 1.557 20 5 DDBDHN COCCN1CC[C@@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823993472 705350744 /nfs/dbraw/zinc/35/07/44/705350744.db2.gz GITGJJPHZOYQIY-LLVKDONJSA-N 0 3 323.353 1.019 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000826970469 705902856 /nfs/dbraw/zinc/90/28/56/705902856.db2.gz MPINPKCLVFHPEF-IFUGULHKSA-N 0 3 319.361 1.370 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827035607 705916209 /nfs/dbraw/zinc/91/62/09/705916209.db2.gz RPHTYFSOPSWULA-ONERCXAPSA-N 0 3 319.361 1.227 20 5 DDBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])c([N+](=O)[O-])cc1F ZINC000835456967 707255899 /nfs/dbraw/zinc/25/58/99/707255899.db2.gz VGTJRTZZIFDXME-ZCFIWIBFSA-N 0 3 302.214 1.565 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H](O)c1cnn(C)c1 ZINC000873061306 707714103 /nfs/dbraw/zinc/71/41/03/707714103.db2.gz RJGVWCHKYBGZQT-OAHLLOKOSA-N 0 3 304.350 1.768 20 5 DDBDHN Cn1c2ccccc2c(N2CCCN(C)CC2)c([N+](=O)[O-])c1=O ZINC000891439004 710201248 /nfs/dbraw/zinc/20/12/48/710201248.db2.gz YYIHCOFHNKQYSY-UHFFFAOYSA-N 0 3 316.361 1.589 20 5 DDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000892417922 710434105 /nfs/dbraw/zinc/43/41/05/710434105.db2.gz KGYDYGUNERFCSF-HUUCEWRRSA-N 0 3 318.377 1.973 20 5 DDBDHN C[C@H]1[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCN1C ZINC000895737879 711591297 /nfs/dbraw/zinc/59/12/97/711591297.db2.gz GDCHUZWKTVPIMR-ONGXEEELSA-N 0 3 304.350 1.984 20 5 DDBDHN C[C@@H]1[C@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCN1C ZINC000895739555 711591883 /nfs/dbraw/zinc/59/18/83/711591883.db2.gz GWAMZUUMLUEGIS-RKDXNWHRSA-N 0 3 306.322 1.430 20 5 DDBDHN O=[N+]([O-])c1c(F)nccc1NC[C@H]1CCN1C1CCOCC1 ZINC000896526573 711738970 /nfs/dbraw/zinc/73/89/70/711738970.db2.gz YXEGEJLLAPNSRL-LLVKDONJSA-N 0 3 310.329 1.794 20 5 DDBDHN CN(C)c1ccnc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000905524619 712064483 /nfs/dbraw/zinc/06/44/83/712064483.db2.gz KFIUFXKJNNRSSA-MRXNPFEDSA-N 0 3 316.361 1.879 20 5 DDBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2COC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000905864734 712169142 /nfs/dbraw/zinc/16/91/42/712169142.db2.gz FTAJOIXJCNTKFP-XHVZSJERSA-N 0 3 307.350 1.855 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@H](O)c2ccco2)c1 ZINC000915223426 713413528 /nfs/dbraw/zinc/41/35/28/713413528.db2.gz JIVUAODLYVAKII-JSGCOSHPSA-N 0 3 322.317 1.251 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CCN1C ZINC000920599391 713682121 /nfs/dbraw/zinc/68/21/21/713682121.db2.gz TUYFZWKSOOISLL-AAEUAGOBSA-N 0 3 306.366 1.529 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC[C@@H]1CC(=O)N(C)C1 ZINC000922487812 714068416 /nfs/dbraw/zinc/06/84/16/714068416.db2.gz FEHITYKRTZONJK-GFCCVEGCSA-N 0 3 321.377 1.952 20 5 DDBDHN O=C1NC[C@H](O)CC12CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000932838714 714423479 /nfs/dbraw/zinc/42/34/79/714423479.db2.gz CMTVUWYZNSKGBX-CQSZACIVSA-N 0 3 319.361 1.058 20 5 DDBDHN C[C@@H](c1ccc([N+](=O)[O-])cc1)N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924902046 714692578 /nfs/dbraw/zinc/69/25/78/714692578.db2.gz VTEBIXBOFNECRJ-CABZTGNLSA-N 0 3 306.322 1.138 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1NCCN1CCSCC1)CNC2 ZINC001167837570 738998558 /nfs/dbraw/zinc/99/85/58/738998558.db2.gz SAPPMTPCCCUNQU-UHFFFAOYSA-N 0 3 308.407 1.659 20 5 DDBDHN COC1(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001126312655 739029447 /nfs/dbraw/zinc/02/94/47/739029447.db2.gz RXGRMUYXOYUADV-UHFFFAOYSA-N 0 3 321.377 1.760 20 5 DDBDHN O=[N+]([O-])c1cccnc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001213201676 744025904 /nfs/dbraw/zinc/02/59/04/744025904.db2.gz OXTSWJINLKRRKU-UHFFFAOYSA-N 0 3 324.300 1.748 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccc(F)nc1 ZINC001124937316 748679272 /nfs/dbraw/zinc/67/92/72/748679272.db2.gz UHCQYMGNXJHFFD-UHFFFAOYSA-N 0 3 318.308 1.649 20 5 DDBDHN COC(=O)C[C@H](N[C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccn1 ZINC001168996536 762168749 /nfs/dbraw/zinc/16/87/49/762168749.db2.gz VOYNGRVKLICQBV-SCRDCRAPSA-N 0 3 307.350 1.721 20 5 DDBDHN COCC(C)(C)CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001131725191 768293550 /nfs/dbraw/zinc/29/35/50/768293550.db2.gz CTYMMPXDSKFTNT-UHFFFAOYSA-N 0 3 323.393 1.863 20 5 DDBDHN Cc1c(CC[NH3+])c(=O)[n-]n1-c1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001170339525 766273019 /nfs/dbraw/zinc/27/30/19/766273019.db2.gz CTUYAJZHDZABKP-UHFFFAOYSA-N 0 3 319.365 1.988 20 5 DDBDHN NCc1ccc2c(n1)N(c1nc(Cl)ncc1[N+](=O)[O-])CCC2 ZINC001158647157 768955111 /nfs/dbraw/zinc/95/51/11/768955111.db2.gz INNGCXKUCOAVQR-UHFFFAOYSA-N 0 3 320.740 1.976 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001132678687 769086653 /nfs/dbraw/zinc/08/66/53/769086653.db2.gz HBIRBTCGEWXNGT-WDNDVIMCSA-N 0 3 303.362 1.847 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1(CF)CCC1 ZINC001134040839 770579376 /nfs/dbraw/zinc/57/93/76/770579376.db2.gz WBWKHRJYRUUBDP-UHFFFAOYSA-N 0 3 309.341 1.940 20 5 DDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1COCCC12OCCO2 ZINC001173216288 777048156 /nfs/dbraw/zinc/04/81/56/777048156.db2.gz IFAQVLHGRDXTGB-SWLSCSKDSA-N 0 3 322.361 1.647 20 5 DDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1c[n-][nH]c1=O ZINC001173214232 777068207 /nfs/dbraw/zinc/06/82/07/777068207.db2.gz NRJILVNRLSXEAK-AAEUAGOBSA-N 0 3 304.350 1.627 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001177879695 778790284 /nfs/dbraw/zinc/79/02/84/778790284.db2.gz LRMQPRZYZVIHOM-WCQYABFASA-N 0 3 318.377 1.945 20 5 DDBDHN CC(C)N(C)CC(=O)NCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001267232729 837574781 /nfs/dbraw/zinc/57/47/81/837574781.db2.gz LKBSCJFDHXQLMX-UHFFFAOYSA-N 0 3 322.409 1.483 20 5 DDBDHN Cc1cc(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)no1 ZINC001124999397 859866344 /nfs/dbraw/zinc/86/63/44/859866344.db2.gz RYXAVBHAGOQQRD-UHFFFAOYSA-N 0 3 318.333 1.340 20 5 DDBDHN CCOC(=O)c1ccnc(-n2ccc([C@@H](C)N)n2)c1[N+](=O)[O-] ZINC001158354864 864598784 /nfs/dbraw/zinc/59/87/84/864598784.db2.gz DGVJEAHCACKHKH-MRVPVSSYSA-N 0 3 305.294 1.372 20 5 DDBDHN C[C@@H](Nc1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1)[C@@H]1CNCCO1 ZINC001159499418 865353769 /nfs/dbraw/zinc/35/37/69/865353769.db2.gz PXUDDCGYDIRBIR-OZAOCKQISA-N 0 3 321.381 1.311 20 5 DDBDHN CC(C)Oc1nc(N[C@@H](C)[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001159503181 865365723 /nfs/dbraw/zinc/36/57/23/865365723.db2.gz UOATVXOTJJDRHW-CMPLNLGQSA-N 0 3 310.354 1.566 20 5 DDBDHN C[NH+](C)[C@@H]1CC[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]2C1 ZINC001333874921 867101077 /nfs/dbraw/zinc/10/10/77/867101077.db2.gz DCHXNAOIEJINDD-QJPTWQEYSA-N 0 3 306.366 1.862 20 5 DDBDHN NCc1cn(-c2nc3cc([N+](=O)[O-])ccc3nc2Cl)cn1 ZINC001162297198 867420899 /nfs/dbraw/zinc/42/08/99/867420899.db2.gz WLVDFLYSBCBWMQ-UHFFFAOYSA-N 0 3 304.697 1.836 20 5 DDBDHN COc1ncnc(NC[C@@H]2Cc3ccccc3CN2)c1[N+](=O)[O-] ZINC001163272729 868293621 /nfs/dbraw/zinc/29/36/21/868293621.db2.gz RHWRQGPRUIIHTK-LBPRGKRZSA-N 0 3 315.333 1.520 20 5 DDBDHN CN1Cc2cc(N[C@H]3CN4CCC3CC4)cc([N+](=O)[O-])c2N1 ZINC001163394225 868414226 /nfs/dbraw/zinc/41/42/26/868414226.db2.gz CQTUKFCPMSQEHH-ZDUSSCGKSA-N 0 3 303.366 1.873 20 5 DDBDHN CN(c1cc(Cl)ccc1/C=C/[N+](=O)[O-])S(=O)(=O)CCN ZINC001164296984 869099286 /nfs/dbraw/zinc/09/92/86/869099286.db2.gz FRIFVANPRIYHIX-GQCTYLIASA-N 0 3 319.770 1.312 20 5 DDBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1CN2CCC1CC2 ZINC001337408884 869474594 /nfs/dbraw/zinc/47/45/94/869474594.db2.gz IZAXLTZMIGUIHK-CQSZACIVSA-N 0 3 321.352 1.877 20 5 DDBDHN O=C(N[C@@H]1CN2CCC1CC2)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001339140257 870364639 /nfs/dbraw/zinc/36/46/39/870364639.db2.gz HWASDFUWAQFSJD-OAHLLOKOSA-N 0 3 314.345 1.900 20 5 DDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCN1C ZINC001340856772 871389556 /nfs/dbraw/zinc/38/95/56/871389556.db2.gz JXJSOYXBNJLVIS-ZDUSSCGKSA-N 0 3 320.393 1.875 20 5 DDBDHN CN1CCCC[C@@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC001353102719 877121318 /nfs/dbraw/zinc/12/13/18/877121318.db2.gz PRVPKVIHLYNYLO-CYBMUJFWSA-N 0 3 306.366 1.878 20 5 DDBDHN COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CN2CCC1CC2 ZINC001233988338 887528542 /nfs/dbraw/zinc/52/85/42/887528542.db2.gz WCNQACMYFANGLO-INIZCTEOSA-N 0 3 306.362 1.987 20 5 DDBDHN CN(C)C[C@@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254593180 896522019 /nfs/dbraw/zinc/52/20/19/896522019.db2.gz JOYLAIHKOCGSSM-HZPDHXFCSA-N 0 3 305.378 1.324 20 5 DDBDHN CC(C)=CC(=O)N(CCO)CCNCc1cccc([N+](=O)[O-])c1 ZINC001279648286 903373130 /nfs/dbraw/zinc/37/31/30/903373130.db2.gz YRTPNFWUJADVJA-UHFFFAOYSA-N 0 3 321.377 1.472 20 5 DDBDHN C[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000305768955 231046632 /nfs/dbraw/zinc/04/66/32/231046632.db2.gz VJXIKCWAOIZXTL-SMDDNHRTSA-N 0 3 307.350 1.626 20 5 DDBDHN CN(C(=O)CN[C@@H]1CCC[C@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000279289299 214765556 /nfs/dbraw/zinc/76/55/56/214765556.db2.gz PGDBHBQBAJDXNR-SWLSCSKDSA-N 0 3 321.377 1.698 20 5 DDBDHN Cn1cc(CN2CC[C@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092763118 185338475 /nfs/dbraw/zinc/33/84/75/185338475.db2.gz URAFSQWVMZKADY-LBPRGKRZSA-N 0 3 316.361 1.810 20 5 DDBDHN CC(C)(C)[C@H](CCO)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000181457051 199299810 /nfs/dbraw/zinc/29/98/10/199299810.db2.gz ONRRAPUALLODMY-ZDUSSCGKSA-N 0 3 309.366 1.580 20 5 DDBDHN CC(C)(C)[C@@H](CCO)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000181457030 199300256 /nfs/dbraw/zinc/30/02/56/199300256.db2.gz ONRRAPUALLODMY-CYBMUJFWSA-N 0 3 309.366 1.580 20 5 DDBDHN CN1C[C@@H]2CCCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425047900 529821863 /nfs/dbraw/zinc/82/18/63/529821863.db2.gz AHUHGPNRBPEALX-SWLSCSKDSA-N 0 3 319.361 1.526 20 5 DDBDHN O=[N+]([O-])c1ccc(CNCCC2CS(=O)(=O)C2)c(F)c1 ZINC000615728187 362418002 /nfs/dbraw/zinc/41/80/02/362418002.db2.gz PHCLMOWVFAXLQY-UHFFFAOYSA-N 0 3 302.327 1.258 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000299295495 530063497 /nfs/dbraw/zinc/06/34/97/530063497.db2.gz CREWJXFWCYRLIL-AWEZNQCLSA-N 0 3 316.361 1.760 20 5 DDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000601226080 358455297 /nfs/dbraw/zinc/45/52/97/358455297.db2.gz QAYWITMWSUUMMM-HNNXBMFYSA-N 0 3 322.365 1.515 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000287100140 219311867 /nfs/dbraw/zinc/31/18/67/219311867.db2.gz LIENOEOBFRFOQW-JQWIXIFHSA-N 0 3 321.381 1.579 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000287100140 219311868 /nfs/dbraw/zinc/31/18/68/219311868.db2.gz LIENOEOBFRFOQW-JQWIXIFHSA-N 0 3 321.381 1.579 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000287182617 219365084 /nfs/dbraw/zinc/36/50/84/219365084.db2.gz LQOWJTWRYWVIEY-JTQLQIEISA-N 0 3 304.350 1.685 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CC[NH+](C)C ZINC000265986221 186349010 /nfs/dbraw/zinc/34/90/10/186349010.db2.gz HJIOODRXCAGHPJ-NSHDSACASA-N 0 3 315.395 1.522 20 5 DDBDHN COc1ccc(C(=O)NCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000047139914 352482869 /nfs/dbraw/zinc/48/28/69/352482869.db2.gz DZGGUWVFVLTZMV-UHFFFAOYSA-N 0 3 307.350 1.819 20 5 DDBDHN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(C2CC2)C1 ZINC000491236702 234111742 /nfs/dbraw/zinc/11/17/42/234111742.db2.gz LFLATDWQKVCQAT-LLPBQKLSSA-N 0 3 301.346 1.961 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCC(CN3CCOCC3)CC2)nc1 ZINC000052325984 352608085 /nfs/dbraw/zinc/60/80/85/352608085.db2.gz NVQOVGJZXXNYPG-UHFFFAOYSA-N 0 3 306.366 1.538 20 5 DDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C2CC2)C1 ZINC000057553761 352820536 /nfs/dbraw/zinc/82/05/36/352820536.db2.gz AUURCQFOPPDLOT-LBPRGKRZSA-N 0 3 318.377 1.750 20 5 DDBDHN COCCN(C)CCCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067724508 353064988 /nfs/dbraw/zinc/06/49/88/353064988.db2.gz YXFVCFUBMZTSRV-UHFFFAOYSA-N 0 3 324.381 1.362 20 5 DDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@H]1CN1CCCCC1 ZINC000068132787 353091329 /nfs/dbraw/zinc/09/13/29/353091329.db2.gz RDYOAALCHSTVFC-CYBMUJFWSA-N 0 3 321.381 1.268 20 5 DDBDHN Cc1n[nH]c(C(=O)N(CCN(C)C)Cc2ccco2)c1[N+](=O)[O-] ZINC000088348546 353754175 /nfs/dbraw/zinc/75/41/75/353754175.db2.gz YTXDAZNQGNKKFT-UHFFFAOYSA-N 0 3 321.337 1.423 20 5 DDBDHN Cc1[nH]nc(C(=O)N(CCN(C)C)Cc2ccco2)c1[N+](=O)[O-] ZINC000088348546 353754178 /nfs/dbraw/zinc/75/41/78/353754178.db2.gz YTXDAZNQGNKKFT-UHFFFAOYSA-N 0 3 321.337 1.423 20 5 DDBDHN C[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000093332711 353895666 /nfs/dbraw/zinc/89/56/66/353895666.db2.gz JELPDOFQFIXSMW-ZLDLUXBVSA-N 0 3 310.350 1.037 20 5 DDBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H](C)C1 ZINC000346178542 283014305 /nfs/dbraw/zinc/01/43/05/283014305.db2.gz LLZLRWIMXJCWIV-SDDRHHMPSA-N 0 3 321.381 1.131 20 5 DDBDHN COc1cc(C(=O)N[C@@H](CN)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000401760289 354667101 /nfs/dbraw/zinc/66/71/01/354667101.db2.gz URTZXFXMDHMRTN-VIFPVBQESA-N 0 3 307.228 1.223 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCN(C)CC2)c1 ZINC000589494319 354995832 /nfs/dbraw/zinc/99/58/32/354995832.db2.gz INTPRRSLCHUVOJ-UHFFFAOYSA-N 0 3 307.350 1.519 20 5 DDBDHN COc1cc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590442695 355096730 /nfs/dbraw/zinc/09/67/30/355096730.db2.gz ACHHCXYGGZBWPW-WCQYABFASA-N 0 3 305.334 1.380 20 5 DDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000590445087 355098892 /nfs/dbraw/zinc/09/88/92/355098892.db2.gz MZZOLIKOZFCJBD-WCQYABFASA-N 0 3 319.361 1.770 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000590446510 355099712 /nfs/dbraw/zinc/09/97/12/355099712.db2.gz WBWYIZYCOOEZEF-FZMZJTMJSA-N 0 3 323.780 1.953 20 5 DDBDHN C[C@@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000591433895 355310643 /nfs/dbraw/zinc/31/06/43/355310643.db2.gz HNDNGGKRFUIHHW-SFYZADRCSA-N 0 3 319.408 1.246 20 5 DDBDHN CCn1cc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000591766642 355380909 /nfs/dbraw/zinc/38/09/09/355380909.db2.gz RBHCUWKKAOWFTF-AWEZNQCLSA-N 0 3 320.349 1.341 20 5 DDBDHN CN(C)CCn1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000565178892 304048274 /nfs/dbraw/zinc/04/82/74/304048274.db2.gz CUFIYPGIBYFABO-UHFFFAOYSA-N 0 3 317.349 1.283 20 5 DDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCN(CC2CC2)C1 ZINC000593455560 355890663 /nfs/dbraw/zinc/89/06/63/355890663.db2.gz WEWXEMXIJMKCMV-AWEZNQCLSA-N 0 3 321.352 1.877 20 5 DDBDHN CCc1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)c1[N+](=O)[O-] ZINC000594360318 356182921 /nfs/dbraw/zinc/18/29/21/356182921.db2.gz QUUMHVCVHMDJCX-VHSXEESVSA-N 0 3 307.354 1.189 20 5 DDBDHN CCc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)c1[N+](=O)[O-] ZINC000594360318 356182926 /nfs/dbraw/zinc/18/29/26/356182926.db2.gz QUUMHVCVHMDJCX-VHSXEESVSA-N 0 3 307.354 1.189 20 5 DDBDHN COCCN1CC[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595019555 356372969 /nfs/dbraw/zinc/37/29/69/356372969.db2.gz QXZWBVXBCNAQGA-OLZOCXBDSA-N 0 3 323.393 1.975 20 5 DDBDHN Cc1ccc([C@@H](C)NC[C@]2(OCCO)CCOC2)cc1[N+](=O)[O-] ZINC000595078284 356378815 /nfs/dbraw/zinc/37/88/15/356378815.db2.gz OLYZNZJLIJNNSY-CZUORRHYSA-N 0 3 324.377 1.722 20 5 DDBDHN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H](CN2CCOCC2)C1 ZINC000595328535 356450704 /nfs/dbraw/zinc/45/07/04/356450704.db2.gz WMNDGZHOEHCGJF-CYBMUJFWSA-N 0 3 323.368 1.888 20 5 DDBDHN O=C1CC[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@H]2N1 ZINC000595744232 356632731 /nfs/dbraw/zinc/63/27/31/356632731.db2.gz UUBOYUKBTWJOIP-IUODEOHRSA-N 0 3 319.361 1.574 20 5 DDBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000596073091 356762810 /nfs/dbraw/zinc/76/28/10/356762810.db2.gz FNOBDCPYSOUEDD-UHFFFAOYSA-N 0 3 320.393 1.847 20 5 DDBDHN CCC[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CCN1CCOC ZINC000596177473 356802746 /nfs/dbraw/zinc/80/27/46/356802746.db2.gz LWRWWDDXJOWOTF-GFCCVEGCSA-N 0 3 323.397 1.509 20 5 DDBDHN CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000596517249 356903481 /nfs/dbraw/zinc/90/34/81/356903481.db2.gz FYLUBQKUVKETCW-OAHLLOKOSA-N 0 3 320.393 1.873 20 5 DDBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])cn1)C2 ZINC000597716681 357300188 /nfs/dbraw/zinc/30/01/88/357300188.db2.gz RREHIXCMCPSYTH-HNNXBMFYSA-N 0 3 304.350 1.548 20 5 DDBDHN CCc1n[nH]c(C(=O)N(CC)[C@@H]2CCN(CC)C2)c1[N+](=O)[O-] ZINC000598043929 357440425 /nfs/dbraw/zinc/44/04/25/357440425.db2.gz XMIBSJMATBSRNC-SNVBAGLBSA-N 0 3 309.370 1.437 20 5 DDBDHN CCc1[nH]nc(C(=O)N(CC)[C@@H]2CCN(CC)C2)c1[N+](=O)[O-] ZINC000598043929 357440430 /nfs/dbraw/zinc/44/04/30/357440430.db2.gz XMIBSJMATBSRNC-SNVBAGLBSA-N 0 3 309.370 1.437 20 5 DDBDHN C[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000598643500 357666359 /nfs/dbraw/zinc/66/63/59/357666359.db2.gz LMUYIPKAVOKOKM-VNHYZAJKSA-N 0 3 324.377 1.285 20 5 DDBDHN O=[N+]([O-])c1ccc(NCCN2CC[C@H](O)C2)c2ncccc12 ZINC000599199413 357847740 /nfs/dbraw/zinc/84/77/40/357847740.db2.gz JYDFTLPBNNFGCO-NSHDSACASA-N 0 3 302.334 1.622 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000600228488 358162363 /nfs/dbraw/zinc/16/23/63/358162363.db2.gz BTAJWUXRCXLZFL-GFCCVEGCSA-N 0 3 321.381 1.465 20 5 DDBDHN CC[C@@](C)(CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OC ZINC000602439880 358977976 /nfs/dbraw/zinc/97/79/76/358977976.db2.gz PZXVSGCPZSPMIT-HNNXBMFYSA-N 0 3 308.382 1.927 20 5 DDBDHN CO[C@]1(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCOC1 ZINC000602472615 359002067 /nfs/dbraw/zinc/00/20/67/359002067.db2.gz JBTCOSOISMCYIR-WFASDCNBSA-N 0 3 322.365 1.282 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)C[C@H]1CCCN1C ZINC000602960195 359322479 /nfs/dbraw/zinc/32/24/79/359322479.db2.gz KKSFRMKPBKXQSU-LLVKDONJSA-N 0 3 307.354 1.278 20 5 DDBDHN Cc1ccc(C(=O)Nc2cnn(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000604511302 359759158 /nfs/dbraw/zinc/75/91/58/359759158.db2.gz RCDVZJZZNOUGBM-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)CN1 ZINC000237639833 202313660 /nfs/dbraw/zinc/31/36/60/202313660.db2.gz PYIISFVIGGMCLO-RKDXNWHRSA-N 0 3 303.322 1.294 20 5 DDBDHN COCC[C@]1(NCCOc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000618550995 363669069 /nfs/dbraw/zinc/66/90/69/363669069.db2.gz JQGTUIVRMXPDJY-HNNXBMFYSA-N 0 3 310.350 1.759 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCc3ccc(O)cc3CC2)c1 ZINC000610447706 360438760 /nfs/dbraw/zinc/43/87/60/360438760.db2.gz AYHDJQWYARHRNY-UHFFFAOYSA-N 0 3 302.334 1.598 20 5 DDBDHN CN(C)CCOc1cc(CNc2cccnc2[N+](=O)[O-])ccn1 ZINC000611193918 360656764 /nfs/dbraw/zinc/65/67/64/360656764.db2.gz PJTIFGGTYDOPSZ-UHFFFAOYSA-N 0 3 317.349 1.937 20 5 DDBDHN Cc1c(C(=O)N2CCC[C@](O)(CN(C)C)C2)cccc1[N+](=O)[O-] ZINC000618924279 363804113 /nfs/dbraw/zinc/80/41/13/363804113.db2.gz VATOCSUHPJFVHM-INIZCTEOSA-N 0 3 321.377 1.432 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC1CCN([C@@H]2CCOC2)CC1 ZINC000619485864 364032451 /nfs/dbraw/zinc/03/24/51/364032451.db2.gz OLRONZPARQKEFD-CYBMUJFWSA-N 0 3 323.397 1.785 20 5 DDBDHN C[C@H](CN(C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000271813579 209237134 /nfs/dbraw/zinc/23/71/34/209237134.db2.gz MKEXWSMFUKTXEF-LLVKDONJSA-N 0 3 316.365 1.899 20 5 DDBDHN COc1c(C(=O)NCCNc2ccncc2)cccc1[N+](=O)[O-] ZINC000359275320 299390307 /nfs/dbraw/zinc/39/03/07/299390307.db2.gz URZDOQYENIWPRD-UHFFFAOYSA-N 0 3 316.317 1.262 20 5 DDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H](N)C1CCOCC1 ZINC000261877137 203141399 /nfs/dbraw/zinc/14/13/99/203141399.db2.gz UEUUHNHJJDWEBI-AWEZNQCLSA-N 0 3 307.350 1.307 20 5 DDBDHN COc1ccc(CNC(=O)NCCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000264771335 204144755 /nfs/dbraw/zinc/14/47/55/204144755.db2.gz AHEXFYQYLMJDAP-UHFFFAOYSA-N 0 3 322.365 1.497 20 5 DDBDHN COc1cc(CNCC2=CC[N@H+](C)CC2)c([N+](=O)[O-])cc1[O-] ZINC000271792572 209219797 /nfs/dbraw/zinc/21/97/97/209219797.db2.gz HAZNHYPPMMAGPN-UHFFFAOYSA-N 0 3 307.350 1.661 20 5 DDBDHN COc1cc(CNCC2=CC[N@@H+](C)CC2)c([N+](=O)[O-])cc1[O-] ZINC000271792572 209219798 /nfs/dbraw/zinc/21/97/98/209219798.db2.gz HAZNHYPPMMAGPN-UHFFFAOYSA-N 0 3 307.350 1.661 20 5 DDBDHN CN(C)CCn1ccc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000566804808 304182566 /nfs/dbraw/zinc/18/25/66/304182566.db2.gz AFLNAIQEJRJEEK-UHFFFAOYSA-N 0 3 321.312 1.744 20 5 DDBDHN COC(=O)c1cc(C)nc(N2CCNC(C)(C)C2)c1[N+](=O)[O-] ZINC000420281838 284524892 /nfs/dbraw/zinc/52/48/92/284524892.db2.gz RUAAZHNPOBOSTN-UHFFFAOYSA-N 0 3 308.338 1.273 20 5 DDBDHN CO[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000267867247 206311191 /nfs/dbraw/zinc/31/11/91/206311191.db2.gz ZFLIWQIZMPODAU-ZDUSSCGKSA-N 0 3 307.350 1.953 20 5 DDBDHN C[C@H](NCCNC(=O)c1ccco1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285181656 218322767 /nfs/dbraw/zinc/32/27/67/218322767.db2.gz NHSBSLHECUKDBA-JTQLQIEISA-N 0 3 318.333 1.851 20 5 DDBDHN Cc1cc(NC[C@@H](O)[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000340780829 251208307 /nfs/dbraw/zinc/20/83/07/251208307.db2.gz QGBXFZBCISOBRY-BDJLRTHQSA-N 0 3 317.345 1.683 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000341009069 251333076 /nfs/dbraw/zinc/33/30/76/251333076.db2.gz AHJGRHFAVIKMMT-WCQYABFASA-N 0 3 306.366 1.877 20 5 DDBDHN CC1(C)SC[C@H]1NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567708855 304236131 /nfs/dbraw/zinc/23/61/31/304236131.db2.gz XXRSJUBJDJCURR-WCQYABFASA-N 0 3 312.391 1.818 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](CO)C1CCCC1 ZINC000352706352 285242143 /nfs/dbraw/zinc/24/21/43/285242143.db2.gz MXIXZSSZJQYGDH-OAHLLOKOSA-N 0 3 321.377 1.982 20 5 DDBDHN CN(C)CCN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000289947166 221335022 /nfs/dbraw/zinc/33/50/22/221335022.db2.gz XPWOLZOOLMSFAX-UHFFFAOYSA-N 0 3 317.393 1.989 20 5 DDBDHN Cc1cc(C(=O)NCCCN2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000121897484 195370997 /nfs/dbraw/zinc/37/09/97/195370997.db2.gz FOBNYAOVNULNOU-UHFFFAOYSA-N 0 3 320.393 1.271 20 5 DDBDHN COC(=O)[C@H]1CN(C)CCN(c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000413503517 533490694 /nfs/dbraw/zinc/49/06/94/533490694.db2.gz SJFOYMIULPJFII-NSHDSACASA-N 0 3 323.349 1.144 20 5 DDBDHN O=C(NCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccn[nH]1 ZINC000568647056 304303851 /nfs/dbraw/zinc/30/38/51/304303851.db2.gz JSEDINYBVVHRJY-GFCCVEGCSA-N 0 3 315.333 1.325 20 5 DDBDHN CCCCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593544567 397388452 /nfs/dbraw/zinc/38/84/52/397388452.db2.gz IBVWTUOMHBEQFY-UHFFFAOYSA-N 0 3 316.383 1.000 20 5 DDBDHN CC(COC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496764138 307360136 /nfs/dbraw/zinc/36/01/36/307360136.db2.gz QOKRRVQWJNXNIX-WDEREUQCSA-N 0 3 316.354 1.984 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCN[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000069144326 406687273 /nfs/dbraw/zinc/68/72/73/406687273.db2.gz WUHFMQRHNSDMTF-LLVKDONJSA-N 0 3 314.363 1.140 20 5 DDBDHN CCN(CC)CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000007612566 406762094 /nfs/dbraw/zinc/76/20/94/406762094.db2.gz BYJKBCLZRDTAAI-UHFFFAOYSA-N 0 3 315.395 1.523 20 5 DDBDHN COCCOC[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000075953152 406946957 /nfs/dbraw/zinc/94/69/57/406946957.db2.gz QNUFABHOTHLJPT-CQSZACIVSA-N 0 3 324.377 1.959 20 5 DDBDHN CC(C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000079754022 407062617 /nfs/dbraw/zinc/06/26/17/407062617.db2.gz OLCHRUNNWHONBU-SECBINFHSA-N 0 3 314.363 1.379 20 5 DDBDHN O=[N+]([O-])c1ccc(CCN2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000178495756 407473628 /nfs/dbraw/zinc/47/36/28/407473628.db2.gz RQHGUMCBPVAGQK-MRXNPFEDSA-N 0 3 319.405 1.791 20 5 DDBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185778374 407500320 /nfs/dbraw/zinc/50/03/20/407500320.db2.gz KZGUYKVWWGFSOU-GFCCVEGCSA-N 0 3 313.379 1.310 20 5 DDBDHN Cn1ccnc1[C@H]1CNCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000261689186 407580803 /nfs/dbraw/zinc/58/08/03/407580803.db2.gz DXWTWMHPMNPJFK-CQSZACIVSA-N 0 3 301.350 1.475 20 5 DDBDHN NC(=O)CCC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271246339 407594484 /nfs/dbraw/zinc/59/44/84/407594484.db2.gz QOACMYKZJMJTRX-HNNXBMFYSA-N 0 3 321.377 1.606 20 5 DDBDHN Cc1ccc(CN2CCNC[C@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000261931313 407677289 /nfs/dbraw/zinc/67/72/89/407677289.db2.gz CTIYCEXXFZNOFA-HNNXBMFYSA-N 0 3 315.377 1.783 20 5 DDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000115437990 407679575 /nfs/dbraw/zinc/67/95/75/407679575.db2.gz PEUCKJHWAOFQQQ-NSHDSACASA-N 0 3 306.366 1.591 20 5 DDBDHN CC(C)[C@@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000261980902 407702082 /nfs/dbraw/zinc/70/20/82/407702082.db2.gz RIORSBAWQBHSOE-CQSZACIVSA-N 0 3 306.366 1.227 20 5 DDBDHN CN1CC=C(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000272125009 407785381 /nfs/dbraw/zinc/78/53/81/407785381.db2.gz USCZAKFHNHWPDF-UHFFFAOYSA-N 0 3 318.377 1.698 20 5 DDBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272124843 407785552 /nfs/dbraw/zinc/78/55/52/407785552.db2.gz ACKFBYGOXNLQCR-JTQLQIEISA-N 0 3 309.370 1.131 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H](O)CN1CCCCC1 ZINC000153584880 407857859 /nfs/dbraw/zinc/85/78/59/407857859.db2.gz BEAHXVWGHZGLCV-LLVKDONJSA-N 0 3 314.773 1.902 20 5 DDBDHN CCN(CC)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000118095388 407887106 /nfs/dbraw/zinc/88/71/06/407887106.db2.gz AZVMWKILDOOZNI-UHFFFAOYSA-N 0 3 322.365 1.300 20 5 DDBDHN CN(C)C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000268203318 407946612 /nfs/dbraw/zinc/94/66/12/407946612.db2.gz UJPZUFOVKFJFGS-LLVKDONJSA-N 0 3 322.321 1.669 20 5 DDBDHN COCCN(C)CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000118993930 407973665 /nfs/dbraw/zinc/97/36/65/407973665.db2.gz CRTZNJCPAXSAND-UHFFFAOYSA-N 0 3 324.381 1.015 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H]2OCCC[C@H]2C1 ZINC000245571841 408019060 /nfs/dbraw/zinc/01/90/60/408019060.db2.gz BWRJNKKFBHSNNV-JSGCOSHPSA-N 0 3 307.350 1.257 20 5 DDBDHN CNCC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000263273550 408084948 /nfs/dbraw/zinc/08/49/48/408084948.db2.gz XNQPSJUTBGOSIK-UHFFFAOYSA-N 0 3 320.271 1.361 20 5 DDBDHN COCC[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000273222715 408114436 /nfs/dbraw/zinc/11/44/36/408114436.db2.gz DLOAQVXIOXOFFF-OLZOCXBDSA-N 0 3 324.337 1.113 20 5 DDBDHN CN(C)CCOc1ccccc1CNc1ncc([N+](=O)[O-])cn1 ZINC000273589154 408257238 /nfs/dbraw/zinc/25/72/38/408257238.db2.gz HCQFFTVLCQLOCU-UHFFFAOYSA-N 0 3 317.349 1.937 20 5 DDBDHN COc1cc(C(=O)N2CC[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000171454558 162218810 /nfs/dbraw/zinc/21/88/10/162218810.db2.gz DUBMGPZSYOSIEV-CYBMUJFWSA-N 0 3 319.361 1.914 20 5 DDBDHN CC[C@@H](O)[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000269937116 408474068 /nfs/dbraw/zinc/47/40/68/408474068.db2.gz YQQDXZNBRGGCQF-UONOGXRCSA-N 0 3 309.366 1.382 20 5 DDBDHN Cn1cc(CNC[C@H](O)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000265213156 408580298 /nfs/dbraw/zinc/58/02/98/408580298.db2.gz DSKWLCKTFQAVTF-HNNXBMFYSA-N 0 3 316.361 1.856 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC2(C1)CCOCC2 ZINC000270588429 408592707 /nfs/dbraw/zinc/59/27/07/408592707.db2.gz SPJPWLBARKOJNB-UHFFFAOYSA-N 0 3 307.350 1.259 20 5 DDBDHN COc1cccc(C(=O)N2CCC[C@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000192501248 408599254 /nfs/dbraw/zinc/59/92/54/408599254.db2.gz YBGQMYZHAYWPRN-NSHDSACASA-N 0 3 307.350 1.770 20 5 DDBDHN CC[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270840115 408701442 /nfs/dbraw/zinc/70/14/42/408701442.db2.gz DXEKGTVXRFHTLQ-KYOSRNDESA-N 0 3 310.350 1.037 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(NC2CCN(CCN(C)C)CC2)n1 ZINC000178170285 408783416 /nfs/dbraw/zinc/78/34/16/408783416.db2.gz JKMZVEXMPBJXRT-UHFFFAOYSA-N 0 3 307.398 1.736 20 5 DDBDHN COc1cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c([N+](=O)[O-])cc1[O-] ZINC000249769189 408765388 /nfs/dbraw/zinc/76/53/88/408765388.db2.gz JFQXKNXAVCUNMB-MISXGVKJSA-N 0 3 308.334 1.966 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000285754057 408856836 /nfs/dbraw/zinc/85/68/36/408856836.db2.gz KCJBPZNPLNBSJG-AAEUAGOBSA-N 0 3 321.381 1.185 20 5 DDBDHN CN1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000287110121 409004323 /nfs/dbraw/zinc/00/43/23/409004323.db2.gz VXFIPRICUXRIBY-UHFFFAOYSA-N 0 3 303.322 1.386 20 5 DDBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCN(C2CCCC2)CC1 ZINC000286392093 408977003 /nfs/dbraw/zinc/97/70/03/408977003.db2.gz IXYXBNLIGTXOSM-UHFFFAOYSA-N 0 3 307.354 1.408 20 5 DDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000286647702 408992184 /nfs/dbraw/zinc/99/21/84/408992184.db2.gz BOHVDUBEHJGORS-NHYWBVRUSA-N 0 3 318.377 1.876 20 5 DDBDHN CNC(=O)c1ccc(N2CCN(C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000354079115 409636351 /nfs/dbraw/zinc/63/63/51/409636351.db2.gz CGFQSLWDYSOOCC-LLVKDONJSA-N 0 3 306.366 1.485 20 5 DDBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346254945 409878037 /nfs/dbraw/zinc/87/80/37/409878037.db2.gz HSTLVKNXIPQTTC-SRVKXCTJSA-N 0 3 321.381 1.131 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CCN(C)C3)n2)c1 ZINC000350277002 409937045 /nfs/dbraw/zinc/93/70/45/409937045.db2.gz QSJVBQPPPVXNMJ-JTQLQIEISA-N 0 3 318.333 1.996 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000357457083 410051026 /nfs/dbraw/zinc/05/10/26/410051026.db2.gz VAALKWLSJYAIDC-KGLIPLIRSA-N 0 3 306.366 1.417 20 5 DDBDHN C[C@H]1CCCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000343161009 410196277 /nfs/dbraw/zinc/19/62/77/410196277.db2.gz ARDURVMAHMORDV-ZDUSSCGKSA-N 0 3 305.378 1.985 20 5 DDBDHN CN1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C1 ZINC000301304598 410696330 /nfs/dbraw/zinc/69/63/30/410696330.db2.gz TWCAOSZMGJVBRK-CQSZACIVSA-N 0 3 305.382 1.206 20 5 DDBDHN CC(C)[C@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)N(C)C ZINC000348195208 410849580 /nfs/dbraw/zinc/84/95/80/410849580.db2.gz LJOHLCBDJUVMDP-OAHLLOKOSA-N 0 3 321.377 1.771 20 5 DDBDHN COc1cc(C(=O)N(CCN(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000356273073 410936364 /nfs/dbraw/zinc/93/63/64/410936364.db2.gz DNNNAFDATRQNEK-UHFFFAOYSA-N 0 3 307.350 1.770 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344068249 410934272 /nfs/dbraw/zinc/93/42/72/410934272.db2.gz QIRRRIFZUGCELZ-JLNYLFASSA-N 0 3 322.361 1.037 20 5 DDBDHN CCCc1n[nH]c(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000348517845 410994605 /nfs/dbraw/zinc/99/46/05/410994605.db2.gz YSFNXIDFZDVPPO-LLVKDONJSA-N 0 3 321.381 1.579 20 5 DDBDHN CCCc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000348517845 410994608 /nfs/dbraw/zinc/99/46/08/410994608.db2.gz YSFNXIDFZDVPPO-LLVKDONJSA-N 0 3 321.381 1.579 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC1CCN(C(N)=O)CC1 ZINC000344205588 411027470 /nfs/dbraw/zinc/02/74/70/411027470.db2.gz CXVHSCGNBXNKEY-UHFFFAOYSA-N 0 3 308.338 1.236 20 5 DDBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2C[C@@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000580446427 422933591 /nfs/dbraw/zinc/93/35/91/422933591.db2.gz LDMKTLBFGMTLTP-ZLKJLUDKSA-N 0 3 321.377 1.979 20 5 DDBDHN CC1(C)[C@@H](O)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361403211 418645906 /nfs/dbraw/zinc/64/59/06/418645906.db2.gz NFYCZFSURSATDG-OCCSQVGLSA-N 0 3 310.350 1.180 20 5 DDBDHN COC(=O)[C@@H]1CN(C)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000411906157 419463935 /nfs/dbraw/zinc/46/39/35/419463935.db2.gz NMPRTDKMENSEHL-CYBMUJFWSA-N 0 3 307.350 1.131 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H](CO)[C@@H]1CCCOC1 ZINC000411983752 419543251 /nfs/dbraw/zinc/54/32/51/419543251.db2.gz GKXWJNAINXSZHY-TZMCWYRMSA-N 0 3 310.350 1.481 20 5 DDBDHN C[C@@H]1[C@H](CO)CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000412061856 419608921 /nfs/dbraw/zinc/60/89/21/419608921.db2.gz AKLXPLBKYVCOIC-HZSPNIEDSA-N 0 3 324.377 1.427 20 5 DDBDHN CN(C)C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CCO1 ZINC000413132350 419770179 /nfs/dbraw/zinc/77/01/79/419770179.db2.gz UAPVZYUPQLPEIK-GFCCVEGCSA-N 0 3 316.361 1.910 20 5 DDBDHN CNC(=O)[C@]1(C)CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430285043 420102083 /nfs/dbraw/zinc/10/20/83/420102083.db2.gz QHLGQCIPZHWLAN-OAHLLOKOSA-N 0 3 307.350 1.561 20 5 DDBDHN C[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000420296132 420188909 /nfs/dbraw/zinc/18/89/09/420188909.db2.gz PXOOESBTJJUGCI-VIFPVBQESA-N 0 3 312.757 1.480 20 5 DDBDHN N[C@H](CC1CCCCC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000423891136 420245817 /nfs/dbraw/zinc/24/58/17/420245817.db2.gz BGGCRLQQTCXASO-CYBMUJFWSA-N 0 3 309.370 1.205 20 5 DDBDHN CN(C)C[C@@H](O)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433124558 420248884 /nfs/dbraw/zinc/24/88/84/420248884.db2.gz DFUFHWRUKBKWQV-WFASDCNBSA-N 0 3 307.394 1.829 20 5 DDBDHN CC(C)[C@H]1CN(C)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000425482002 420395595 /nfs/dbraw/zinc/39/55/95/420395595.db2.gz QOPBZUXPMDCMDY-CQSZACIVSA-N 0 3 308.382 1.029 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCCN(CCCO)C1 ZINC000450619109 420499514 /nfs/dbraw/zinc/49/95/14/420499514.db2.gz UJAOLWPIBIHIGE-GFCCVEGCSA-N 0 3 311.386 1.378 20 5 DDBDHN CC1(C)CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000447871588 420808755 /nfs/dbraw/zinc/80/87/55/420808755.db2.gz LGEIZJGWYHECBI-CYBMUJFWSA-N 0 3 307.350 1.626 20 5 DDBDHN CCN1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(NC)n2)C1 ZINC000455480939 421021669 /nfs/dbraw/zinc/02/16/69/421021669.db2.gz QNMQDQJNUZWJNU-SNVBAGLBSA-N 0 3 307.354 1.246 20 5 DDBDHN CC(COC(=O)CCN(C(=O)OC(C)(C)C)C1CC1)[N+](=O)[O-] ZINC000496157599 421141226 /nfs/dbraw/zinc/14/12/26/421141226.db2.gz INZZLTVKIJHWER-JTQLQIEISA-N 0 3 316.354 1.984 20 5 DDBDHN C[C@@H]1CCN(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000524775294 421271823 /nfs/dbraw/zinc/27/18/23/421271823.db2.gz DJGNFEGJRVSCJP-SECBINFHSA-N 0 3 310.329 1.388 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccccc1CN(C)C ZINC000561303837 421321234 /nfs/dbraw/zinc/32/12/34/421321234.db2.gz GINCJWOLTBBELJ-UHFFFAOYSA-N 0 3 317.349 1.800 20 5 DDBDHN CNc1nccc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000563547529 421520624 /nfs/dbraw/zinc/52/06/24/421520624.db2.gz VNYFWYKXLQCKLU-MNOVXSKESA-N 0 3 321.381 1.586 20 5 DDBDHN CN1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000551040238 421526652 /nfs/dbraw/zinc/52/66/52/421526652.db2.gz CPVGZHLVSLGKFJ-UHFFFAOYSA-N 0 3 306.366 1.220 20 5 DDBDHN Cc1ncsc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000516175121 421531084 /nfs/dbraw/zinc/53/10/84/421531084.db2.gz DZGXWEWBJGTZEJ-LLVKDONJSA-N 0 3 323.374 1.889 20 5 DDBDHN C[C@H](NC1CC1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000520578172 421757033 /nfs/dbraw/zinc/75/70/33/421757033.db2.gz XSNLUKSWYICQGY-JTQLQIEISA-N 0 3 307.354 1.095 20 5 DDBDHN Cc1c(CN)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)nn1C ZINC000595961047 422359399 /nfs/dbraw/zinc/35/93/99/422359399.db2.gz ILODEDPCTWBLHD-UHFFFAOYSA-N 0 3 303.322 1.656 20 5 DDBDHN COCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000576767206 422378151 /nfs/dbraw/zinc/37/81/51/422378151.db2.gz IADUOLKKZAONQL-GFCCVEGCSA-N 0 3 324.381 1.910 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000578100575 422498800 /nfs/dbraw/zinc/49/88/00/422498800.db2.gz SPQQVRIWSJLROJ-QWHCGFSZSA-N 0 3 321.381 1.185 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]([C@H]2CCOC2)C1 ZINC000341682531 271167094 /nfs/dbraw/zinc/16/70/94/271167094.db2.gz CRDNIDLTWVSBOY-KBPBESRZSA-N 0 3 321.377 1.505 20 5 DDBDHN COc1ccc(CNC[C@H](CO)c2cccnc2)cc1[N+](=O)[O-] ZINC000342313447 271372970 /nfs/dbraw/zinc/37/29/70/271372970.db2.gz XGZZMHQUNMFDSZ-CQSZACIVSA-N 0 3 317.345 1.864 20 5 DDBDHN COCCN(CCN(C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344273671 271987334 /nfs/dbraw/zinc/98/73/34/271987334.db2.gz LUCQQMHCSANWFN-UHFFFAOYSA-N 0 3 313.329 1.384 20 5 DDBDHN CCN1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000344409671 272017881 /nfs/dbraw/zinc/01/78/81/272017881.db2.gz ABZIDKBACRDFQP-AWEZNQCLSA-N 0 3 305.382 1.206 20 5 DDBDHN N[C@@H](CC(F)F)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000345747589 272322997 /nfs/dbraw/zinc/32/29/97/272322997.db2.gz AVIZUDLMJVNHOT-JTQLQIEISA-N 0 3 302.281 1.105 20 5 DDBDHN CCN1CCCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000264788961 276165014 /nfs/dbraw/zinc/16/50/14/276165014.db2.gz RXLOFRPSABKZOX-UHFFFAOYSA-N 0 3 306.366 1.486 20 5 DDBDHN CCN1CCC[C@H]1CN(C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181151825 276181299 /nfs/dbraw/zinc/18/12/99/276181299.db2.gz KJFQPMGMTFAQBS-NSHDSACASA-N 0 3 306.366 1.733 20 5 DDBDHN CCCNC(=O)CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447517673 276264721 /nfs/dbraw/zinc/26/47/21/276264721.db2.gz LWZUVJXAYLCMCZ-NEPJUHHUSA-N 0 3 309.370 1.391 20 5 DDBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000112926984 276305575 /nfs/dbraw/zinc/30/55/75/276305575.db2.gz FBELEGJZMGOCDK-UHFFFAOYSA-N 0 3 320.393 1.877 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000299289171 277064386 /nfs/dbraw/zinc/06/43/86/277064386.db2.gz PDDYQCIPQLDCLJ-SNVBAGLBSA-N 0 3 321.333 1.190 20 5 DDBDHN Cc1ccc(NCCCNC(=O)/C=C\CN(C)C)c([N+](=O)[O-])c1 ZINC000491845785 280915451 /nfs/dbraw/zinc/91/54/51/280915451.db2.gz KDRNHZCAMUDQFT-XQRVVYSFSA-N 0 3 320.393 1.939 20 5 DDBDHN CN(C)CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CC1 ZINC000356307003 298758858 /nfs/dbraw/zinc/75/88/58/298758858.db2.gz XYCLWIGBSRRSNX-UHFFFAOYSA-N 0 3 321.333 1.490 20 5 DDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000356391909 298779149 /nfs/dbraw/zinc/77/91/49/298779149.db2.gz QLVJZVCGSGUPQH-NWDGAFQWSA-N 0 3 306.366 1.240 20 5 DDBDHN CCCN1CCCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000363379792 300260286 /nfs/dbraw/zinc/26/02/86/300260286.db2.gz XFZACLHDQBWRRX-UHFFFAOYSA-N 0 3 323.397 1.434 20 5 DDBDHN CO[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000363651025 300292758 /nfs/dbraw/zinc/29/27/58/300292758.db2.gz JNNXLBTWHYODGB-UONOGXRCSA-N 0 3 324.377 1.835 20 5 DDBDHN O=C1CC[C@H](NCc2ccc([N+](=O)[O-])c(F)c2)[C@H](C2CC2)N1 ZINC000368501064 301042344 /nfs/dbraw/zinc/04/23/44/301042344.db2.gz ZPULKHCNVIASRR-WFASDCNBSA-N 0 3 307.325 1.881 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000368596851 301062137 /nfs/dbraw/zinc/06/21/37/301062137.db2.gz WFOKGLZMQIUMCF-YGRLFVJLSA-N 0 3 307.325 1.900 20 5 DDBDHN C[C@@H](CO)N1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368966167 301112636 /nfs/dbraw/zinc/11/26/36/301112636.db2.gz NLCHNDLEPWJAMO-XJKSGUPXSA-N 0 3 323.393 1.017 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000447243751 302395804 /nfs/dbraw/zinc/39/58/04/302395804.db2.gz JMRQFEVMJCEYJT-WDEREUQCSA-N 0 3 313.379 1.322 20 5 DDBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356472355 306852544 /nfs/dbraw/zinc/85/25/44/306852544.db2.gz ZQFJVRPMILOPNV-QWRGUYRKSA-N 0 3 309.370 1.321 20 5 DDBDHN C[C@H]1CCN(CCNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000531506001 303247740 /nfs/dbraw/zinc/24/77/40/303247740.db2.gz BBDFBTLFIRGBNT-ZDUSSCGKSA-N 0 3 305.378 1.985 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H]1N(C)C ZINC000537924109 303381262 /nfs/dbraw/zinc/38/12/62/303381262.db2.gz OXSAQPAMUYJVCA-NWDGAFQWSA-N 0 3 312.395 1.051 20 5 DDBDHN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000363593317 307032324 /nfs/dbraw/zinc/03/23/24/307032324.db2.gz XYTZNWXWUQWIMD-UONOGXRCSA-N 0 3 321.381 1.267 20 5 DDBDHN COC(=O)c1cnc(N2CC[C@@H]3CCN(C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000365078309 307057911 /nfs/dbraw/zinc/05/79/11/307057911.db2.gz STZDXCWYRUIEIG-GWCFXTLKSA-N 0 3 320.349 1.307 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H](c3nnc[nH]3)C2)c1 ZINC000366652340 307078657 /nfs/dbraw/zinc/07/86/57/307078657.db2.gz KMPDFEYWEMVKTL-TZMCWYRMSA-N 0 3 317.349 1.626 20 5 DDBDHN Cc1cc(N2CCN([C@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000368532646 307104557 /nfs/dbraw/zinc/10/45/57/307104557.db2.gz JTZYGJSRWYPFPJ-JKSUJKDBSA-N 0 3 305.378 1.939 20 5 DDBDHN O=[N+]([O-])c1cnn([C@H]2CCCN(CCN3CCCCC3)C2)c1 ZINC000372284315 307167385 /nfs/dbraw/zinc/16/73/85/307167385.db2.gz YSYVJOMVSZYUKD-AWEZNQCLSA-N 0 3 307.398 1.914 20 5 DDBDHN COC(=O)N1CC(N[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000496075709 307325237 /nfs/dbraw/zinc/32/52/37/307325237.db2.gz HWBHWEQLOOFITM-NWDGAFQWSA-N 0 3 323.353 1.315 20 5 DDBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496247615 307331492 /nfs/dbraw/zinc/33/14/92/307331492.db2.gz UDWDJXRMGVDNHR-ZJUUUORDSA-N 0 3 302.327 1.594 20 5 DDBDHN C[C@H](C(=O)NCCNc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000576926469 308349683 /nfs/dbraw/zinc/34/96/83/308349683.db2.gz JVRKETQZLHATAJ-LBPRGKRZSA-N 0 3 314.345 1.744 20 5 DDBDHN C[C@@H]([NH3+])[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000381458356 325741808 /nfs/dbraw/zinc/74/18/08/325741808.db2.gz IKAHYZYJRATJIA-RNFRBKRXSA-N 0 3 307.759 1.262 20 5 DDBDHN NC[C@H]1c2ccccc2CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000582789373 337166427 /nfs/dbraw/zinc/16/64/27/337166427.db2.gz XSLZRBZNEGTKRX-HNNXBMFYSA-N 0 3 301.350 1.349 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCC3(CCC(O)CC3)CC2)c1 ZINC000451146684 534889337 /nfs/dbraw/zinc/88/93/37/534889337.db2.gz OSQXCRJAZDCWLK-UHFFFAOYSA-N 0 3 308.382 1.808 20 5 DDBDHN CC(C)(C)OC(=O)[C@]1(C)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000459581337 526526328 /nfs/dbraw/zinc/52/63/28/526526328.db2.gz KXWRZPFJMFAOIP-OAHLLOKOSA-N 0 3 324.381 1.845 20 5 DDBDHN C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC000736761849 598382918 /nfs/dbraw/zinc/38/29/18/598382918.db2.gz UYZIPMDQXSDRIR-ZDUSSCGKSA-N 0 3 317.353 1.527 20 5 DDBDHN C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC000736761849 598382920 /nfs/dbraw/zinc/38/29/20/598382920.db2.gz UYZIPMDQXSDRIR-ZDUSSCGKSA-N 0 3 317.353 1.527 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](c3ccccn3)C2)c1 ZINC000799191554 700127722 /nfs/dbraw/zinc/12/77/22/700127722.db2.gz NAELIFJNSVYBRE-GXTWGEPZSA-N 0 3 317.349 1.037 20 5 DDBDHN Cc1cnc(CN(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000985430297 697510078 /nfs/dbraw/zinc/51/00/78/697510078.db2.gz FDLZBGUSAJIQHY-CHWSQXEVSA-N 0 3 322.365 1.071 20 5 DDBDHN CN(C)C(=O)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776574517 698119745 /nfs/dbraw/zinc/11/97/45/698119745.db2.gz IKUNLTIRNRNAOF-HNNXBMFYSA-N 0 3 321.377 1.428 20 5 DDBDHN CN(C)C1(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)CCC1 ZINC000782487066 698729086 /nfs/dbraw/zinc/72/90/86/698729086.db2.gz BEBQQXWVLRAOBG-UHFFFAOYSA-N 0 3 319.408 1.419 20 5 DDBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000783598416 698855453 /nfs/dbraw/zinc/85/54/53/698855453.db2.gz ROECRMYULBMFNL-SNVBAGLBSA-N 0 3 318.782 1.773 20 5 DDBDHN CCc1nncn1CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788749418 699337714 /nfs/dbraw/zinc/33/77/14/699337714.db2.gz FPVLMRTXXGTQEW-SNVBAGLBSA-N 0 3 304.354 1.682 20 5 DDBDHN COCCn1cc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000742370090 699875615 /nfs/dbraw/zinc/87/56/15/699875615.db2.gz QVPRMSKUHQTVBP-OAHLLOKOSA-N 0 3 320.349 1.261 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)OCCN1CCCCC1 ZINC000770361581 701275243 /nfs/dbraw/zinc/27/52/43/701275243.db2.gz VVANDJMKTHPPSW-UHFFFAOYSA-N 0 3 310.354 1.519 20 5 DDBDHN COc1ccc(NC(=O)[C@@H](C)N[C@@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000771817608 701332915 /nfs/dbraw/zinc/33/29/15/701332915.db2.gz HQVJPHLQMNBDML-RNCFNFMXSA-N 0 3 323.349 1.291 20 5 DDBDHN C[C@@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815594888 701902001 /nfs/dbraw/zinc/90/20/01/701902001.db2.gz AYSMIFFJSBSHFP-KOLCDFICSA-N 0 3 304.350 1.591 20 5 DDBDHN CC(COC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)[N+](=O)[O-] ZINC000813108215 702295513 /nfs/dbraw/zinc/29/55/13/702295513.db2.gz VSZPHXFDHYODLG-RISCZKNCSA-N 0 3 310.325 1.999 20 5 DDBDHN CCc1csc(-n2cc(C(=O)OCC(C)[N+](=O)[O-])cn2)n1 ZINC000813109010 702295527 /nfs/dbraw/zinc/29/55/27/702295527.db2.gz DEKDVNBCIXRJMM-QMMMGPOBSA-N 0 3 310.335 1.713 20 5 DDBDHN CC(COC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)[N+](=O)[O-] ZINC000813110466 702296239 /nfs/dbraw/zinc/29/62/39/702296239.db2.gz BETXICVCRNXOEB-YUSALJHKSA-N 0 3 307.302 1.770 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@H]2CNCCO2)n1 ZINC000843187153 702836899 /nfs/dbraw/zinc/83/68/99/702836899.db2.gz MBQBCGPJFKSDGI-NSHDSACASA-N 0 3 304.306 1.484 20 5 DDBDHN Cc1c(Cc2noc(C[C@@H]3CNCCO3)n2)cccc1[N+](=O)[O-] ZINC000843191098 702837854 /nfs/dbraw/zinc/83/78/54/702837854.db2.gz CQJRZVIJEMQKLX-GFCCVEGCSA-N 0 3 318.333 1.408 20 5 DDBDHN CCCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000843987033 702949299 /nfs/dbraw/zinc/94/92/99/702949299.db2.gz DLDPBLSKNZATNL-CABCVRRESA-N 0 3 321.377 1.571 20 5 DDBDHN CC(COC(=O)Cc1ccc2c(c1)OC(F)(F)O2)[N+](=O)[O-] ZINC000845576838 703177263 /nfs/dbraw/zinc/17/72/63/703177263.db2.gz OPWDHMKRQIVLDF-SSDOTTSWSA-N 0 3 303.217 1.759 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1N1CCN(CCN(C)C)C(=O)C1 ZINC000845634796 703185354 /nfs/dbraw/zinc/18/53/54/703185354.db2.gz LHFIDLZBTRBFEF-UHFFFAOYSA-N 0 3 306.366 1.113 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H]2CCCn3nccc32)cc1 ZINC000850432431 703731002 /nfs/dbraw/zinc/73/10/02/703731002.db2.gz BQOHYKHQMFZVDD-HIFRSBDPSA-N 0 3 302.334 1.949 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H]2CCCn3nccc32)cc1 ZINC000850432433 703731027 /nfs/dbraw/zinc/73/10/27/703731027.db2.gz BQOHYKHQMFZVDD-ZFWWWQNUSA-N 0 3 302.334 1.949 20 5 DDBDHN CC(C)(C)N1C[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000819127599 704072978 /nfs/dbraw/zinc/07/29/78/704072978.db2.gz UYNWJHZBBBLZCP-TZMCWYRMSA-N 0 3 321.377 1.617 20 5 DDBDHN [NH3+][C@@H](C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000857762943 704621715 /nfs/dbraw/zinc/62/17/15/704621715.db2.gz JHNANNYQNLWRHW-NSHDSACASA-N 0 3 315.276 1.420 20 5 DDBDHN C[C@H]1CCCCN1CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825099414 705599427 /nfs/dbraw/zinc/59/94/27/705599427.db2.gz ZCLTXVLJADWJHE-SWLSCSKDSA-N 0 3 321.377 1.619 20 5 DDBDHN O=[N+]([O-])c1cnn(C2CC(NCc3cn4ccccc4n3)C2)c1 ZINC000876895881 705912590 /nfs/dbraw/zinc/91/25/90/705912590.db2.gz NWSGLWSDZUQWAW-UHFFFAOYSA-N 0 3 312.333 1.932 20 5 DDBDHN Cc1c(NC(=O)CCN2CC=C[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000880490158 706993047 /nfs/dbraw/zinc/99/30/47/706993047.db2.gz MLQWBORTPHWEPB-GFCCVEGCSA-N 0 3 305.334 1.465 20 5 DDBDHN CC(COC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000835453773 707255502 /nfs/dbraw/zinc/25/55/02/707255502.db2.gz GKGZDDMLVKGATE-VIFPVBQESA-N 0 3 310.262 1.766 20 5 DDBDHN CN1CCC[C@@H]2[C@H]1CCN2c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000872778978 707596694 /nfs/dbraw/zinc/59/66/94/707596694.db2.gz BWLWHGHHTQWBSK-VXGBXAGGSA-N 0 3 304.350 1.367 20 5 DDBDHN Nc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCCN3CCO)c1 ZINC000897221123 708258514 /nfs/dbraw/zinc/25/85/14/708258514.db2.gz HMEGXJYBBURCKT-CHWSQXEVSA-N 0 3 306.366 1.212 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000897222770 708260676 /nfs/dbraw/zinc/26/06/76/708260676.db2.gz XMKVGCYVANMTET-KGLIPLIRSA-N 0 3 305.378 1.939 20 5 DDBDHN C[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000897683209 708418571 /nfs/dbraw/zinc/41/85/71/708418571.db2.gz ATSMIWYWIBSXOU-NHYWBVRUSA-N 0 3 316.361 1.808 20 5 DDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCC2)C1 ZINC000912918554 713124258 /nfs/dbraw/zinc/12/42/58/713124258.db2.gz FTYMVPNCXLFSQP-ZDUSSCGKSA-N 0 3 319.361 1.670 20 5 DDBDHN C[C@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])N(C)C ZINC000891755783 710286125 /nfs/dbraw/zinc/28/61/25/710286125.db2.gz KYDHGOOFJYGPHH-SNVBAGLBSA-N 0 3 304.350 1.809 20 5 DDBDHN C[C@@]1(NC(=O)Cc2ccccc2[N+](=O)[O-])CN2CCC1CC2 ZINC000892801419 710502708 /nfs/dbraw/zinc/50/27/08/710502708.db2.gz SDLVBQYWFMLIKG-MRXNPFEDSA-N 0 3 303.362 1.738 20 5 DDBDHN COc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2C)cc([N+](=O)[O-])c1C ZINC000928438766 713195797 /nfs/dbraw/zinc/19/57/97/713195797.db2.gz GVCNLTZQIVFTAR-CMPLNLGQSA-N 0 3 307.350 1.734 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1C ZINC000928446192 713199862 /nfs/dbraw/zinc/19/98/62/713199862.db2.gz VCVPHJQOJPNRSR-RNCFNFMXSA-N 0 3 302.334 1.899 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000928452785 713203823 /nfs/dbraw/zinc/20/38/23/713203823.db2.gz JKDBAAREQHFQDM-ZWNOBZJWSA-N 0 3 309.391 1.896 20 5 DDBDHN CC[C@H]1[C@H](CO)CCN1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894686701 711238380 /nfs/dbraw/zinc/23/83/80/711238380.db2.gz ARUBDDFGDXGKMP-RYUDHWBXSA-N 0 3 310.350 1.902 20 5 DDBDHN CCN1[C@H](C)CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1C ZINC000895102130 711412894 /nfs/dbraw/zinc/41/28/94/711412894.db2.gz SDTRSFTXENMWOK-PHIMTYICSA-N 0 3 306.366 1.613 20 5 DDBDHN C[C@@H]1[C@@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCN1C ZINC000895739552 711591847 /nfs/dbraw/zinc/59/18/47/711591847.db2.gz GWAMZUUMLUEGIS-BDAKNGLRSA-N 0 3 306.322 1.430 20 5 DDBDHN COc1c(O)ccc(CN[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1[N+](=O)[O-] ZINC000895746346 711594354 /nfs/dbraw/zinc/59/43/54/711594354.db2.gz WFMXFRMPVZFVEU-WCPYMQEGSA-N 0 3 320.345 1.822 20 5 DDBDHN COc1c([O-])ccc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1[N+](=O)[O-] ZINC000895746346 711594356 /nfs/dbraw/zinc/59/43/56/711594356.db2.gz WFMXFRMPVZFVEU-WCPYMQEGSA-N 0 3 320.345 1.822 20 5 DDBDHN O=[N+]([O-])CCNC[C@@H](CO)Cc1ccccc1Br ZINC000905364906 712016640 /nfs/dbraw/zinc/01/66/40/712016640.db2.gz HDDMKGXUCPGBBX-JTQLQIEISA-N 0 3 317.183 1.466 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000908350608 712749441 /nfs/dbraw/zinc/74/94/41/712749441.db2.gz ZUTSADOXPZLUGX-PELKAZGASA-N 0 3 324.768 1.607 20 5 DDBDHN C[C@H](CN1C(=O)N[C@H](CN(C)C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000928999995 713522796 /nfs/dbraw/zinc/52/27/96/713522796.db2.gz AFGVDBPSUDNFHG-ZYHUDNBSSA-N 0 3 320.349 1.180 20 5 DDBDHN COC(C)(C)[C@H](C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000932368744 714318828 /nfs/dbraw/zinc/31/88/28/714318828.db2.gz AJGLSZNLLFCQHD-NSHDSACASA-N 0 3 321.377 1.887 20 5 DDBDHN Cc1ccc(CNC(=O)N[C@@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000923910123 714488232 /nfs/dbraw/zinc/48/82/32/714488232.db2.gz JLDIKBRDZCQZHY-WCQYABFASA-N 0 3 306.366 1.795 20 5 DDBDHN CN1CCN(C)CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000933995750 714718242 /nfs/dbraw/zinc/71/82/42/714718242.db2.gz JVZAQAQPRZCCPG-UHFFFAOYSA-N 0 3 310.373 1.413 20 5 DDBDHN O=C(/C=C/c1ccc[nH]1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126238620 738743958 /nfs/dbraw/zinc/74/39/58/738743958.db2.gz NWFKMXKHWOLJKM-VMPITWQZSA-N 0 3 314.345 1.842 20 5 DDBDHN Cc1cc(F)ccc1CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031662526 747337357 /nfs/dbraw/zinc/33/73/57/747337357.db2.gz GFGCFGYESMHAQJ-HUUCEWRRSA-N 0 3 321.352 1.347 20 5 DDBDHN Cc1ccnc(N2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169034930 762189659 /nfs/dbraw/zinc/18/96/59/762189659.db2.gz IRVAEVPYFNLYSR-GJZGRUSLSA-N 0 3 304.394 1.957 20 5 DDBDHN COc1cc(N2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)ccn1 ZINC001169052519 762207991 /nfs/dbraw/zinc/20/79/91/762207991.db2.gz GWERHMZDROXNGH-UONOGXRCSA-N 0 3 320.393 1.658 20 5 DDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CC[C@@H](N3CCOCC3)[C@@H](F)C2)C1 ZINC001169055294 762209628 /nfs/dbraw/zinc/20/96/28/762209628.db2.gz PBRGGDSERKFASP-ZQDZILKHSA-N 0 3 315.389 1.176 20 5 DDBDHN COC(=O)c1ncc([N+](=O)[O-])c(C)c1-n1ccc([C@@H](C)N)n1 ZINC001169231904 762293220 /nfs/dbraw/zinc/29/32/20/762293220.db2.gz WBSZSRLMWCQGMC-MRVPVSSYSA-N 0 3 305.294 1.290 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2CNCCO2)c1 ZINC001170575828 768241102 /nfs/dbraw/zinc/24/11/02/768241102.db2.gz SBGFBYORSCKABM-NOZJJQNGSA-N 0 3 309.322 1.170 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CN1C1CC1 ZINC001137492695 766349952 /nfs/dbraw/zinc/34/99/52/766349952.db2.gz XKJYELPGUCOFHQ-NKWVEPMBSA-N 0 3 313.745 1.326 20 5 DDBDHN O=C(CCc1cn[nH]c1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001135045808 771297683 /nfs/dbraw/zinc/29/76/83/771297683.db2.gz KTSJUPCXCRBKTF-UHFFFAOYSA-N 0 3 317.349 1.157 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CCC1CC1 ZINC001155958107 862595568 /nfs/dbraw/zinc/59/55/68/862595568.db2.gz PHOOCEOGYJDJKE-UHFFFAOYSA-N 0 3 309.370 1.114 20 5 DDBDHN CN1CCN(C(=N)Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001157914888 864254023 /nfs/dbraw/zinc/25/40/23/864254023.db2.gz GLBMGCPTVLOUIT-UHFFFAOYSA-N 0 3 303.326 1.065 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)ncc1NCc1nnn2c1CNCCC2 ZINC001162973885 867962737 /nfs/dbraw/zinc/96/27/37/867962737.db2.gz PZMSOAJXQQQMLW-UHFFFAOYSA-N 0 3 323.744 1.340 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1csnn1 ZINC001163452406 868460691 /nfs/dbraw/zinc/46/06/91/868460691.db2.gz YAMINZVAPIFTRU-UHFFFAOYSA-N 0 3 321.362 1.356 20 5 DDBDHN CSCC[C@@H](N)C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001341428328 871656996 /nfs/dbraw/zinc/65/69/96/871656996.db2.gz INHYQIYMLYYXDW-CMPLNLGQSA-N 0 3 311.407 1.895 20 5 DDBDHN CN1CCCC[C@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001347505018 874165561 /nfs/dbraw/zinc/16/55/61/874165561.db2.gz UOOJJDVBKDPNPE-UONOGXRCSA-N 0 3 307.350 1.229 20 5 DDBDHN COc1ccc(COCCN2CC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC001223647546 881044053 /nfs/dbraw/zinc/04/40/53/881044053.db2.gz CYUFTEZVJWTGQK-CYBMUJFWSA-N 0 3 310.350 1.841 20 5 DDBDHN CCN1CCCC[C@@H]1CNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001293327196 914416285 /nfs/dbraw/zinc/41/62/85/914416285.db2.gz DIWDQXOJEJMNCT-LLVKDONJSA-N 0 3 307.354 1.176 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCC[C@H]1CCO ZINC000249524703 282166442 /nfs/dbraw/zinc/16/64/42/282166442.db2.gz RRXQJFBHQZREMB-KBPBESRZSA-N 0 3 324.377 1.571 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCC[C@H]1CCO ZINC000249524706 282166446 /nfs/dbraw/zinc/16/64/46/282166446.db2.gz RRXQJFBHQZREMB-UONOGXRCSA-N 0 3 324.377 1.571 20 5 DDBDHN O=C(NC[C@H]1CCCN1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000452343751 231353435 /nfs/dbraw/zinc/35/34/35/231353435.db2.gz BPJNGAHNVUZXLA-CQSZACIVSA-N 0 3 307.350 1.171 20 5 DDBDHN CC[C@H](C)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000450863837 529701018 /nfs/dbraw/zinc/70/10/18/529701018.db2.gz UJCZCUOEESVMTA-NSHDSACASA-N 0 3 304.354 1.558 20 5 DDBDHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000615296760 362241270 /nfs/dbraw/zinc/24/12/70/362241270.db2.gz KNWQMNACPHPPIZ-GHMZBOCLSA-N 0 3 313.379 1.356 20 5 DDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000299536853 530055726 /nfs/dbraw/zinc/05/57/26/530055726.db2.gz UMPSGJMTUYRJJO-OAHLLOKOSA-N 0 3 318.377 1.338 20 5 DDBDHN C[C@@H](CN1CCOCC1)N(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000279785215 215143372 /nfs/dbraw/zinc/14/33/72/215143372.db2.gz UWXOSIBUIBNCBP-XJKSGUPXSA-N 0 3 323.393 1.281 20 5 DDBDHN COCCN(C)CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149221623 186048573 /nfs/dbraw/zinc/04/85/73/186048573.db2.gz GWQXEOJATVVJEF-UHFFFAOYSA-N 0 3 315.757 1.556 20 5 DDBDHN Cc1nn(C)c(C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000287136199 219337599 /nfs/dbraw/zinc/33/75/99/219337599.db2.gz MZVULMCHDULCAI-RYUDHWBXSA-N 0 3 321.381 1.336 20 5 DDBDHN CCN1CCC[C@H]1CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000287185896 219366715 /nfs/dbraw/zinc/36/67/15/219366715.db2.gz ZTZHNFFVWLFDRG-JTQLQIEISA-N 0 3 308.338 1.673 20 5 DDBDHN C[C@@]1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCCCN1 ZINC000237498260 186297687 /nfs/dbraw/zinc/29/76/87/186297687.db2.gz KYMMVXWJMFYCOK-HNNXBMFYSA-N 0 3 306.366 1.655 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)CC[NH+](C)C ZINC000265986219 186349183 /nfs/dbraw/zinc/34/91/83/186349183.db2.gz HJIOODRXCAGHPJ-LLVKDONJSA-N 0 3 315.395 1.522 20 5 DDBDHN COc1cc(C(=O)NCCN(C)C2CC2)cc([N+](=O)[O-])c1OC ZINC000265984245 186348158 /nfs/dbraw/zinc/34/81/58/186348158.db2.gz ZVCIUCOKGDOOSH-UHFFFAOYSA-N 0 3 323.349 1.436 20 5 DDBDHN C[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(C)C ZINC000033092950 352288625 /nfs/dbraw/zinc/28/86/25/352288625.db2.gz BRZWZHKLYZWGAN-LBPRGKRZSA-N 0 3 320.393 1.875 20 5 DDBDHN C[C@H](CN(C)C)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000358535543 299190417 /nfs/dbraw/zinc/19/04/17/299190417.db2.gz XFPUTYGKXKDZGB-LLVKDONJSA-N 0 3 324.385 1.088 20 5 DDBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCN(c2ccncc2)CC1 ZINC000051870778 352595369 /nfs/dbraw/zinc/59/53/69/352595369.db2.gz KLZHIPBVCYPNMJ-UHFFFAOYSA-N 0 3 301.306 1.280 20 5 DDBDHN CCN1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000060380146 352869448 /nfs/dbraw/zinc/86/94/48/352869448.db2.gz MDJQUGRPNNZXJH-CYBMUJFWSA-N 0 3 307.398 1.675 20 5 DDBDHN CCN1CCN(C[C@H](C)CNc2ccncc2[N+](=O)[O-])CC1 ZINC000060380152 352870038 /nfs/dbraw/zinc/87/00/38/352870038.db2.gz MMESHNQJVOFVTO-CYBMUJFWSA-N 0 3 307.398 1.675 20 5 DDBDHN CC(C)(C)N1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000063728188 352922100 /nfs/dbraw/zinc/92/21/00/352922100.db2.gz BOVGXUJBHNQFPN-UHFFFAOYSA-N 0 3 323.397 1.514 20 5 DDBDHN O=C1C[C@]2(CN1)CCCN(CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000072830761 353219850 /nfs/dbraw/zinc/21/98/50/353219850.db2.gz UACFNEQOGLDTFM-INIZCTEOSA-N 0 3 319.361 1.576 20 5 DDBDHN CN(CCNC(=O)NCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000074200506 353299966 /nfs/dbraw/zinc/29/99/66/353299966.db2.gz ZFCPAHZZTKXJPG-UHFFFAOYSA-N 0 3 306.366 1.531 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCC[C@H]([NH3+])C1 ZINC000125058751 354044098 /nfs/dbraw/zinc/04/40/98/354044098.db2.gz KJFZNEVUXOQYTB-QWRGUYRKSA-N 0 3 313.379 1.451 20 5 DDBDHN CN(CCNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)C1CC1 ZINC000587473004 354882988 /nfs/dbraw/zinc/88/29/88/354882988.db2.gz FEZNVYVEDONSGH-UHFFFAOYSA-N 0 3 319.365 1.291 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000588863061 354944331 /nfs/dbraw/zinc/94/43/31/354944331.db2.gz OOFINFKFHLTVEX-KGLIPLIRSA-N 0 3 319.361 1.184 20 5 DDBDHN Cc1cc(C(=O)N[C@@H](CO)CN2CCCC2)cc([N+](=O)[O-])c1 ZINC000588870156 354945318 /nfs/dbraw/zinc/94/53/18/354945318.db2.gz VEALBGQLXKBQMC-CYBMUJFWSA-N 0 3 307.350 1.090 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000494470544 235039733 /nfs/dbraw/zinc/03/97/33/235039733.db2.gz FWWWWMUBQGVYTM-MLGOLLRUSA-N 0 3 319.361 1.999 20 5 DDBDHN COc1cc(CN2CC[C@H]3CN(C)C[C@@H]32)c([N+](=O)[O-])cc1F ZINC000590011037 355040334 /nfs/dbraw/zinc/04/03/34/355040334.db2.gz GHOUWWSSBDIVIL-HZMBPMFUSA-N 0 3 309.341 1.878 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000590443477 355097369 /nfs/dbraw/zinc/09/73/69/355097369.db2.gz KMXMLCYFLYROCA-NXEZZACHSA-N 0 3 307.354 1.217 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000590443477 355097373 /nfs/dbraw/zinc/09/73/73/355097373.db2.gz KMXMLCYFLYROCA-NXEZZACHSA-N 0 3 307.354 1.217 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000590443434 355097718 /nfs/dbraw/zinc/09/77/18/355097718.db2.gz IRCCTHOBQYUGRL-FZMZJTMJSA-N 0 3 305.334 1.136 20 5 DDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000590445086 355098559 /nfs/dbraw/zinc/09/85/59/355098559.db2.gz MZZOLIKOZFCJBD-DGCLKSJQSA-N 0 3 319.361 1.770 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000591534393 355324683 /nfs/dbraw/zinc/32/46/83/355324683.db2.gz AHTTUCVQQBOUDM-SWLSCSKDSA-N 0 3 303.362 1.988 20 5 DDBDHN CO[C@@H](CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000591722881 355371015 /nfs/dbraw/zinc/37/10/15/355371015.db2.gz AOJFGLCJMMEANI-CABCVRRESA-N 0 3 320.349 1.130 20 5 DDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1Cc1csc([N+](=O)[O-])c1 ZINC000592523755 355611931 /nfs/dbraw/zinc/61/19/31/355611931.db2.gz ASWXZXBSOQNROH-JTQLQIEISA-N 0 3 312.395 1.208 20 5 DDBDHN CN1CC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000264724734 283115145 /nfs/dbraw/zinc/11/51/45/283115145.db2.gz YIZGJJHDQTZMRV-SNVBAGLBSA-N 0 3 321.333 1.048 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CNC2(CO)CCCC2)c1 ZINC000593022462 355772005 /nfs/dbraw/zinc/77/20/05/355772005.db2.gz GTFCJLMUQMAXOK-UHFFFAOYSA-N 0 3 308.334 1.776 20 5 DDBDHN Nc1c(C(=O)N[C@H]2CCCN3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594419172 356204729 /nfs/dbraw/zinc/20/47/29/356204729.db2.gz OJMRLSQAHZWMIK-QWHCGFSZSA-N 0 3 318.377 1.924 20 5 DDBDHN COC[C@@H](CC[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-])OC ZINC000594954323 356364186 /nfs/dbraw/zinc/36/41/86/356364186.db2.gz FRCCAJGRDABVRI-LLVKDONJSA-N 0 3 314.338 1.450 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@]1(C)CCC(=O)N1 ZINC000595053471 356376980 /nfs/dbraw/zinc/37/69/80/356376980.db2.gz VLUPIYDSIXKWSJ-MEBBXXQBSA-N 0 3 307.350 1.923 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@]1(O)CCO[C@H]1C ZINC000595053511 356377007 /nfs/dbraw/zinc/37/70/07/356377007.db2.gz KOXAJRMDEOYMEV-PGUXBMHVSA-N 0 3 310.350 1.794 20 5 DDBDHN COc1ccc(OCCN2C[C@H](C)[C@@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000595872662 356686769 /nfs/dbraw/zinc/68/67/69/356686769.db2.gz KLOYHUHEBMQXKW-BLLLJJGKSA-N 0 3 324.377 1.933 20 5 DDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)c1cn[n-]c1[C@H]1CC[NH2+]C1 ZINC000595925115 356706967 /nfs/dbraw/zinc/70/69/67/356706967.db2.gz VIXAVSMASGUWGK-VIFPVBQESA-N 0 3 301.306 1.647 20 5 DDBDHN C[C@@H](CN1CCCCC1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596075552 356763619 /nfs/dbraw/zinc/76/36/19/356763619.db2.gz HARCSIZYMPSRDH-NSHDSACASA-N 0 3 306.366 1.980 20 5 DDBDHN C[C@@H]1CCCN(CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596076292 356764306 /nfs/dbraw/zinc/76/43/06/356764306.db2.gz OULWAEAKJVESDO-LLVKDONJSA-N 0 3 306.366 1.838 20 5 DDBDHN CSc1ccc(C(=O)N2CCOC3(CNC3)C2)cc1[N+](=O)[O-] ZINC000596097774 356770693 /nfs/dbraw/zinc/77/06/93/356770693.db2.gz LDOCFWGXGVHGJZ-UHFFFAOYSA-N 0 3 323.374 1.131 20 5 DDBDHN CCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000597943904 357393073 /nfs/dbraw/zinc/39/30/73/357393073.db2.gz ASTZXXGEDFTUMA-LBPRGKRZSA-N 0 3 306.366 1.803 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@@H]2CCN(CCC)C2)c1[N+](=O)[O-] ZINC000598341877 357543805 /nfs/dbraw/zinc/54/38/05/357543805.db2.gz HOLNBPDFYTWOGA-SNVBAGLBSA-N 0 3 309.370 1.485 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000598569698 357635713 /nfs/dbraw/zinc/63/57/13/357635713.db2.gz CSKIYBCLTANCEI-CYBMUJFWSA-N 0 3 307.350 1.673 20 5 DDBDHN COc1cc(C(=O)N2CCN[C@H](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC000598575746 357638007 /nfs/dbraw/zinc/63/80/07/357638007.db2.gz WSQSJWXQWQIHSV-ZDUSSCGKSA-N 0 3 321.377 1.982 20 5 DDBDHN O=C(NC[C@@H]1CNCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598916234 357757607 /nfs/dbraw/zinc/75/76/07/357757607.db2.gz TYBOVUISEAKGOH-VIFPVBQESA-N 0 3 314.729 1.358 20 5 DDBDHN CCn1nncc1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599062874 357805579 /nfs/dbraw/zinc/80/55/79/357805579.db2.gz WIQGPVOKRXNNTE-QWHCGFSZSA-N 0 3 319.369 1.676 20 5 DDBDHN CC[C@@H]1CN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C[C@H](C)N1 ZINC000599178914 357841113 /nfs/dbraw/zinc/84/11/13/357841113.db2.gz NEUXJJHSDREKDC-VHSXEESVSA-N 0 3 308.338 1.353 20 5 DDBDHN O=C(NC[C@@H]1CCN1C1CCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000600228817 358163758 /nfs/dbraw/zinc/16/37/58/358163758.db2.gz GCFURIBEROCQMH-NSHDSACASA-N 0 3 307.354 1.455 20 5 DDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601127585 358413753 /nfs/dbraw/zinc/41/37/53/358413753.db2.gz KEZONFAMSSULCA-LLVKDONJSA-N 0 3 307.325 1.948 20 5 DDBDHN Cc1nn(C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000601956663 358752981 /nfs/dbraw/zinc/75/29/81/358752981.db2.gz GWJCLDUZARHMCY-MRXNPFEDSA-N 0 3 316.361 1.737 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(c2ccncn2)CC1 ZINC000602839833 359229313 /nfs/dbraw/zinc/22/93/13/359229313.db2.gz JBFJDWLDUKXCFZ-UHFFFAOYSA-N 0 3 316.365 1.769 20 5 DDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602938985 359307564 /nfs/dbraw/zinc/30/75/64/359307564.db2.gz ZSBZFHCTLPYWRT-CIISACIHSA-N 0 3 317.345 1.640 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](n2ccnn2)CC1 ZINC000602892176 359275411 /nfs/dbraw/zinc/27/54/11/359275411.db2.gz MLBSMUKRWOIGQQ-CYBMUJFWSA-N 0 3 319.369 1.418 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](O)[C@H](C)C1 ZINC000186858871 200023055 /nfs/dbraw/zinc/02/30/55/200023055.db2.gz XQEUANFUPUBRKP-IUODEOHRSA-N 0 3 321.377 1.935 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN(CCO)CCc2ccccc2)c1 ZINC000610453360 360440869 /nfs/dbraw/zinc/44/08/69/360440869.db2.gz ZYQXMJJPVMCOBU-UHFFFAOYSA-N 0 3 304.350 1.328 20 5 DDBDHN CC1(C)CCN(CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000610394587 360425177 /nfs/dbraw/zinc/42/51/77/360425177.db2.gz FNFMFPRJDGIPDU-UHFFFAOYSA-N 0 3 320.393 1.855 20 5 DDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCCNC1 ZINC000193350581 201035504 /nfs/dbraw/zinc/03/55/04/201035504.db2.gz JZRXDIVWIJFJCX-NSHDSACASA-N 0 3 313.379 1.188 20 5 DDBDHN COCCCN(C)CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194757358 201284364 /nfs/dbraw/zinc/28/43/64/201284364.db2.gz RQPBALBOEJAOJL-UHFFFAOYSA-N 0 3 309.366 1.601 20 5 DDBDHN COCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000195020118 201328247 /nfs/dbraw/zinc/32/82/47/201328247.db2.gz BNDXTKSYDUANNQ-UHFFFAOYSA-N 0 3 313.379 1.497 20 5 DDBDHN Cc1c(C(=O)N2CCC[C@@](O)(CN(C)C)C2)cccc1[N+](=O)[O-] ZINC000618924280 363803886 /nfs/dbraw/zinc/80/38/86/363803886.db2.gz VATOCSUHPJFVHM-MRXNPFEDSA-N 0 3 321.377 1.432 20 5 DDBDHN CCc1n[nH]c(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000275067546 212101994 /nfs/dbraw/zinc/10/19/94/212101994.db2.gz AHXMBWQYVPLIHR-ONGXEEELSA-N 0 3 309.370 1.293 20 5 DDBDHN CCc1[nH]nc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000275067546 212101995 /nfs/dbraw/zinc/10/19/95/212101995.db2.gz AHXMBWQYVPLIHR-ONGXEEELSA-N 0 3 309.370 1.293 20 5 DDBDHN CC[C@H]1CCCCN1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000264941507 204288105 /nfs/dbraw/zinc/28/81/05/204288105.db2.gz IJLZPCCPXSAWTO-NSHDSACASA-N 0 3 321.381 1.765 20 5 DDBDHN CN(CC(=O)NC[C@@H]1CCCN1C)c1ccccc1[N+](=O)[O-] ZINC000266336294 205276980 /nfs/dbraw/zinc/27/69/80/205276980.db2.gz UCKVFLUBEUGLAV-LBPRGKRZSA-N 0 3 306.366 1.241 20 5 DDBDHN CN(C)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccs1 ZINC000158986728 248311199 /nfs/dbraw/zinc/31/11/99/248311199.db2.gz VOYFWODXDZUECJ-MRVPVSSYSA-N 0 3 309.351 1.412 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](O)C1 ZINC000041886251 183223531 /nfs/dbraw/zinc/22/35/31/183223531.db2.gz SKILIFDVMAGIDN-LBPRGKRZSA-N 0 3 323.349 1.389 20 5 DDBDHN O=C(NC[C@@H](O)CN1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000339044964 250267653 /nfs/dbraw/zinc/26/76/53/250267653.db2.gz RXQSXOBSVNDNGQ-CYBMUJFWSA-N 0 3 308.338 1.173 20 5 DDBDHN CC(C)N1C[C@H](N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000285057011 218272772 /nfs/dbraw/zinc/27/27/72/218272772.db2.gz IRPGCLITZKDWPO-CMPLNLGQSA-N 0 3 306.366 1.837 20 5 DDBDHN COCCN(C)CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000061378260 184169813 /nfs/dbraw/zinc/16/98/13/184169813.db2.gz WNMRUHQSGIXMHA-UHFFFAOYSA-N 0 3 301.774 1.916 20 5 DDBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000341064910 251364606 /nfs/dbraw/zinc/36/46/06/251364606.db2.gz HKNBFJXEHZCWPL-VXGBXAGGSA-N 0 3 308.382 1.926 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCOC1CCCC1 ZINC000567679058 304233797 /nfs/dbraw/zinc/23/37/97/304233797.db2.gz JHWLEEORDVLQQF-ZDUSSCGKSA-N 0 3 324.377 1.883 20 5 DDBDHN CCN1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272964683 210349606 /nfs/dbraw/zinc/34/96/06/210349606.db2.gz UBHVTBYMRUXXHE-CQSZACIVSA-N 0 3 323.393 1.362 20 5 DDBDHN CN(C)CCN(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000295001701 224371608 /nfs/dbraw/zinc/37/16/08/224371608.db2.gz CBUXYSKBTNWKEP-UHFFFAOYSA-N 0 3 317.349 1.619 20 5 DDBDHN Cc1cc(NC(=O)NC[C@]2(O)CCN(C)C2)ccc1[N+](=O)[O-] ZINC000352903249 285376274 /nfs/dbraw/zinc/37/62/74/285376274.db2.gz SFNSZGXVBDUGHD-CQSZACIVSA-N 0 3 308.338 1.091 20 5 DDBDHN COc1ccc(CNC(=O)N2C[C@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000417199859 533604727 /nfs/dbraw/zinc/60/47/27/533604727.db2.gz ZGJWATASVFFTFV-WDEREUQCSA-N 0 3 322.365 1.495 20 5 DDBDHN CN(C)CCN(C)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272790907 289129269 /nfs/dbraw/zinc/12/92/69/289129269.db2.gz JRSMJYVKWFEGQQ-AWEZNQCLSA-N 0 3 320.349 1.108 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCc1ccco1 ZINC000569594453 304367624 /nfs/dbraw/zinc/36/76/24/304367624.db2.gz AMAVMFZMFPPRDN-LBPRGKRZSA-N 0 3 306.318 1.760 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CCCN(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000579748978 422827354 /nfs/dbraw/zinc/82/73/54/422827354.db2.gz IRQNMSJGVRAZMA-UHFFFAOYSA-N 0 3 323.397 1.827 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CCCN(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000579748978 422827357 /nfs/dbraw/zinc/82/73/57/422827357.db2.gz IRQNMSJGVRAZMA-UHFFFAOYSA-N 0 3 323.397 1.827 20 5 DDBDHN CC(C)C[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)N(C)C ZINC000114377202 407566306 /nfs/dbraw/zinc/56/63/06/407566306.db2.gz FZHADTMJNIBYJD-LBPRGKRZSA-N 0 3 308.382 1.883 20 5 DDBDHN COCCOC[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000075953149 406946988 /nfs/dbraw/zinc/94/69/88/406946988.db2.gz VHEQOXDIMDCIKB-AWEZNQCLSA-N 0 3 324.377 1.959 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](n2cccn2)C1 ZINC000090524933 407168744 /nfs/dbraw/zinc/16/87/44/407168744.db2.gz OUDCIMBOEZKJMN-CYBMUJFWSA-N 0 3 317.349 1.290 20 5 DDBDHN C[C@@H]1CC[C@H](C(N)=O)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000103284066 407336105 /nfs/dbraw/zinc/33/61/05/407336105.db2.gz ILKCSPUSYCBXHT-NEPJUHHUSA-N 0 3 307.350 1.559 20 5 DDBDHN CN1CCC[C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000108343036 407384835 /nfs/dbraw/zinc/38/48/35/407384835.db2.gz NWWYVTHUXKMEJE-SNVBAGLBSA-N 0 3 317.349 1.543 20 5 DDBDHN CN(C)CCSc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C ZINC000185751992 407493126 /nfs/dbraw/zinc/49/31/26/407493126.db2.gz XZWLOGFCKPHZNI-UHFFFAOYSA-N 0 3 308.363 1.495 20 5 DDBDHN CS[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000271122573 407526585 /nfs/dbraw/zinc/52/65/85/407526585.db2.gz LBYGTYVTOWNOMU-ZJUUUORDSA-N 0 3 315.420 1.774 20 5 DDBDHN C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)N1CCCCCC1 ZINC000130003104 407642289 /nfs/dbraw/zinc/64/22/89/407642289.db2.gz VADHSQPRJIGAKF-LBPRGKRZSA-N 0 3 309.370 1.172 20 5 DDBDHN COc1ccc(CNCCN2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000171676140 407739527 /nfs/dbraw/zinc/73/95/27/407739527.db2.gz WGHMNEXUMYWQGS-UHFFFAOYSA-N 0 3 323.393 1.804 20 5 DDBDHN CCN1CC[C@@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000272467534 407935677 /nfs/dbraw/zinc/93/56/77/407935677.db2.gz WIABJMJPDXLUSI-GHMZBOCLSA-N 0 3 309.370 1.131 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272570170 407987878 /nfs/dbraw/zinc/98/78/78/407987878.db2.gz FTCDKOMRRXAYDK-WFASDCNBSA-N 0 3 319.361 1.526 20 5 DDBDHN COCCN(C)CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136858162 408130501 /nfs/dbraw/zinc/13/05/01/408130501.db2.gz FWCFWOSESWZJHA-UHFFFAOYSA-N 0 3 315.757 1.556 20 5 DDBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1(CO)CC1 ZINC000190009714 408145726 /nfs/dbraw/zinc/14/57/26/408145726.db2.gz AHZFOKCVOXAIOA-GFCCVEGCSA-N 0 3 310.350 1.039 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269333249 408272564 /nfs/dbraw/zinc/27/25/64/408272564.db2.gz ATGZKHRKRVHBSG-WDEREUQCSA-N 0 3 323.397 1.996 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269333249 408272570 /nfs/dbraw/zinc/27/25/70/408272570.db2.gz ATGZKHRKRVHBSG-WDEREUQCSA-N 0 3 323.397 1.996 20 5 DDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1(CO)CCOCC1 ZINC000191017778 408358807 /nfs/dbraw/zinc/35/88/07/408358807.db2.gz SFTHUNTZTFFJHN-AWEZNQCLSA-N 0 3 310.350 1.102 20 5 DDBDHN CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)N(C)C ZINC000183622866 408456902 /nfs/dbraw/zinc/45/69/02/408456902.db2.gz PUUGHSJVIADMGX-SNVBAGLBSA-N 0 3 309.370 1.278 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1(O)CCN(C)CC1 ZINC000275811343 408684975 /nfs/dbraw/zinc/68/49/75/408684975.db2.gz UZDUDZJZPQJBSJ-UHFFFAOYSA-N 0 3 322.365 1.481 20 5 DDBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000275857797 408698484 /nfs/dbraw/zinc/69/84/84/408698484.db2.gz LYYKFNWLFOSRPI-JOCQHMNTSA-N 0 3 307.350 1.429 20 5 DDBDHN CCN1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000185215778 408781618 /nfs/dbraw/zinc/78/16/18/408781618.db2.gz UYTKYHJSMOFMBR-JTQLQIEISA-N 0 3 307.354 1.128 20 5 DDBDHN COCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000195051071 408810002 /nfs/dbraw/zinc/81/00/02/408810002.db2.gz HRTMMFIIRVPEBL-UHFFFAOYSA-N 0 3 321.377 1.744 20 5 DDBDHN CNC(=O)[C@]1(C)CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000281322777 408881122 /nfs/dbraw/zinc/88/11/22/408881122.db2.gz YECQAMMQYQKFMN-OAHLLOKOSA-N 0 3 307.350 1.561 20 5 DDBDHN CC(C)N(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000291730409 408913976 /nfs/dbraw/zinc/91/39/76/408913976.db2.gz JNQUXPVYRWGIOO-CABCVRRESA-N 0 3 324.377 1.834 20 5 DDBDHN CCOC[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000286073083 408918387 /nfs/dbraw/zinc/91/83/87/408918387.db2.gz JRSVCAYAWYVUKT-ZDUSSCGKSA-N 0 3 309.366 1.844 20 5 DDBDHN C[C@@H](O)CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000277482210 408948775 /nfs/dbraw/zinc/94/87/75/408948775.db2.gz CPGBAXREHGDQDY-WDEREUQCSA-N 0 3 319.365 1.362 20 5 DDBDHN C[C@@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCCO1 ZINC000277619718 408978582 /nfs/dbraw/zinc/97/85/82/408978582.db2.gz QWGAUCABUBPVER-LLVKDONJSA-N 0 3 310.354 1.154 20 5 DDBDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2CCn1cc([N+](=O)[O-])ccc1=O ZINC000286435533 408985864 /nfs/dbraw/zinc/98/58/64/408985864.db2.gz JBFVOYUNKKICJH-XNHOIOAFSA-N 0 3 319.361 1.112 20 5 DDBDHN Nc1ccc(N2CCN(CC3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000287335616 409021248 /nfs/dbraw/zinc/02/12/48/409021248.db2.gz ONFNJNQNLGWRFV-UHFFFAOYSA-N 0 3 320.393 1.726 20 5 DDBDHN Cc1c(C(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)cccc1[N+](=O)[O-] ZINC000293605947 409146305 /nfs/dbraw/zinc/14/63/05/409146305.db2.gz HELXVIAYJIZCAN-IUODEOHRSA-N 0 3 321.377 1.430 20 5 DDBDHN CN(C)CCn1nccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000294163311 409251835 /nfs/dbraw/zinc/25/18/35/409251835.db2.gz SCBGLCMYJSLLCW-UHFFFAOYSA-N 0 3 309.351 1.667 20 5 DDBDHN C[C@H](CO)N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CCC1 ZINC000280606606 409377901 /nfs/dbraw/zinc/37/79/01/409377901.db2.gz VOJRYVKWANPIQF-LLVKDONJSA-N 0 3 321.377 1.677 20 5 DDBDHN CN(C[C@@H](O)CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000290493134 409421511 /nfs/dbraw/zinc/42/15/11/409421511.db2.gz ABHJPSJNCPVFDR-CQSZACIVSA-N 0 3 321.377 1.113 20 5 DDBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000295379009 409456731 /nfs/dbraw/zinc/45/67/31/409456731.db2.gz XLGZSNQKOKEZQW-UHFFFAOYSA-N 0 3 312.345 1.481 20 5 DDBDHN CNc1c(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000317286344 164026968 /nfs/dbraw/zinc/02/69/68/164026968.db2.gz KMXJZRUAOOBCEG-QWRGUYRKSA-N 0 3 306.366 1.849 20 5 DDBDHN CN(C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000285487634 409464712 /nfs/dbraw/zinc/46/47/12/409464712.db2.gz OTODZHABPGLYGE-UHFFFAOYSA-N 0 3 303.322 1.310 20 5 DDBDHN CS[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296233472 409473506 /nfs/dbraw/zinc/47/35/06/409473506.db2.gz KTIWJEMKZCPREF-NWDGAFQWSA-N 0 3 312.391 1.772 20 5 DDBDHN CC1(C)CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCN1 ZINC000408321862 164296507 /nfs/dbraw/zinc/29/65/07/164296507.db2.gz WCCGPKIJHQYGHG-UHFFFAOYSA-N 0 3 302.334 1.900 20 5 DDBDHN O=C1NC(=O)C2(CCC(NCc3csc([N+](=O)[O-])c3)CC2)N1 ZINC000285595642 409501664 /nfs/dbraw/zinc/50/16/64/409501664.db2.gz WHLWWDNKNISSMO-UHFFFAOYSA-N 0 3 324.362 1.267 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C3CCCC3)C2)n1 ZINC000331452804 409524441 /nfs/dbraw/zinc/52/44/41/409524441.db2.gz XUBURZRITRORJU-NSHDSACASA-N 0 3 321.381 1.558 20 5 DDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCNS(C)(=O)=O ZINC000344841948 409526302 /nfs/dbraw/zinc/52/63/02/409526302.db2.gz FBYPKXALMYYOLW-FLIBITNWSA-N 0 3 313.379 1.137 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2c2ccccc2)c1 ZINC000304339056 409611115 /nfs/dbraw/zinc/61/11/15/409611115.db2.gz PGALAKOWPHARFT-JKSUJKDBSA-N 0 3 316.361 1.989 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)n1 ZINC000331584514 409663574 /nfs/dbraw/zinc/66/35/74/409663574.db2.gz MXTZUVSNLJZRQY-NEPJUHHUSA-N 0 3 321.381 1.510 20 5 DDBDHN CN1CC[C@H]2OCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC000296854760 409669464 /nfs/dbraw/zinc/66/94/64/409669464.db2.gz UMCMRHATTRNQIO-ZIAGYGMSSA-N 0 3 317.349 1.380 20 5 DDBDHN CCN1CCC[C@@H]1CN(C)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342788902 409907638 /nfs/dbraw/zinc/90/76/38/409907638.db2.gz NYJOYXYCWNNUIR-LLVKDONJSA-N 0 3 306.366 1.614 20 5 DDBDHN C[C@H](CN(C)C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000346229933 409870483 /nfs/dbraw/zinc/87/04/83/409870483.db2.gz SOBAOSOLUBAVQR-LLVKDONJSA-N 0 3 317.349 1.460 20 5 DDBDHN C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000357308665 409967844 /nfs/dbraw/zinc/96/78/44/409967844.db2.gz WQTOKLLVZUTBRL-MNOVXSKESA-N 0 3 321.381 1.764 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)N(C)C ZINC000297906393 410042507 /nfs/dbraw/zinc/04/25/07/410042507.db2.gz PFXMUEQGFOSJND-NSHDSACASA-N 0 3 322.365 1.216 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358407959 410461566 /nfs/dbraw/zinc/46/15/66/410461566.db2.gz GCOLWDDGDUCFRG-MEBBXXQBSA-N 0 3 321.352 1.875 20 5 DDBDHN CCOC(=O)CCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343401965 410424537 /nfs/dbraw/zinc/42/45/37/410424537.db2.gz VZCYOANGYJWCQX-UHFFFAOYSA-N 0 3 323.349 1.808 20 5 DDBDHN CCN1CCN(CCC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000352191210 410535872 /nfs/dbraw/zinc/53/58/72/410535872.db2.gz SQYRFZYWKZHZOP-UHFFFAOYSA-N 0 3 324.356 1.700 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343612222 410571662 /nfs/dbraw/zinc/57/16/62/410571662.db2.gz VNXXGSLPKKRKBI-BXUZGUMPSA-N 0 3 306.366 1.877 20 5 DDBDHN CCN(CCNC(=O)c1cccc([N+](=O)[O-])c1OC)C1CC1 ZINC000355631193 410616717 /nfs/dbraw/zinc/61/67/17/410616717.db2.gz DKWZRWXHBPOJMQ-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000330560761 410779067 /nfs/dbraw/zinc/77/90/67/410779067.db2.gz HVPLTSJTTGJUNV-MNOVXSKESA-N 0 3 309.370 1.179 20 5 DDBDHN CC1CCN(CCNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301825377 410806469 /nfs/dbraw/zinc/80/64/69/410806469.db2.gz DQWDJUHSWCDKLJ-UHFFFAOYSA-N 0 3 304.354 1.781 20 5 DDBDHN C[C@@H]1C[C@@H]1N1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H](C)C1 ZINC000488756840 416560756 /nfs/dbraw/zinc/56/07/56/416560756.db2.gz WXUHWAPJSSCJHP-AXFHLTTASA-N 0 3 306.370 1.134 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)n1 ZINC000191632772 222106468 /nfs/dbraw/zinc/10/64/68/222106468.db2.gz PDMPXYUYXRYKGZ-WDEREUQCSA-N 0 3 309.370 1.223 20 5 DDBDHN CN1CC[C@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000375052761 418595817 /nfs/dbraw/zinc/59/58/17/418595817.db2.gz ZLZVUUFUZYGOEC-IINYFYTJSA-N 0 3 304.350 1.224 20 5 DDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408103124 418788642 /nfs/dbraw/zinc/78/86/42/418788642.db2.gz KREGURGQMXYBNQ-MNOVXSKESA-N 0 3 307.354 1.027 20 5 DDBDHN COc1cc(C(=O)NC(C)(C)CN(C)C)c([N+](=O)[O-])cc1F ZINC000411104469 418868985 /nfs/dbraw/zinc/86/89/85/418868985.db2.gz YAPBILPIWZIROB-UHFFFAOYSA-N 0 3 313.329 1.813 20 5 DDBDHN CN1CCC[C@@H](N2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)C1 ZINC000365100676 418837557 /nfs/dbraw/zinc/83/75/57/418837557.db2.gz PPFUCTDQZMEIDH-CQSZACIVSA-N 0 3 322.384 1.950 20 5 DDBDHN C[C@@H]1CC[C@H](O)CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000421002940 419436649 /nfs/dbraw/zinc/43/66/49/419436649.db2.gz BYHULHAPJANSOQ-XBFCOCLRSA-N 0 3 310.350 1.180 20 5 DDBDHN CCOc1cc(CN[C@H](CO)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000411993364 419554019 /nfs/dbraw/zinc/55/40/19/419554019.db2.gz ZAQUAJJIIIDPTO-UONOGXRCSA-N 0 3 324.377 1.871 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCN1C ZINC000299263966 229016204 /nfs/dbraw/zinc/01/62/04/229016204.db2.gz WMZWNTVRDGMPQO-LLVKDONJSA-N 0 3 308.338 1.819 20 5 DDBDHN COCCN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCSC1 ZINC000433189202 229169544 /nfs/dbraw/zinc/16/95/44/229169544.db2.gz DJOVJRQYTUDSDG-GFCCVEGCSA-N 0 3 314.411 1.635 20 5 DDBDHN CCCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(N)=O ZINC000429168398 419980303 /nfs/dbraw/zinc/98/03/03/419980303.db2.gz PESBKGIIIQBHGU-UHFFFAOYSA-N 0 3 322.365 1.429 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000415508111 420095433 /nfs/dbraw/zinc/09/54/33/420095433.db2.gz ULQKNQRRQJYYGU-ZJUUUORDSA-N 0 3 308.338 1.818 20 5 DDBDHN CN(C)CC(C)(C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000416506107 420399951 /nfs/dbraw/zinc/39/99/51/420399951.db2.gz FDQADTJIDYQIBN-UHFFFAOYSA-N 0 3 315.395 1.354 20 5 DDBDHN CN(C)C1(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CCC1 ZINC000438511529 420457073 /nfs/dbraw/zinc/45/70/73/420457073.db2.gz CXZSJPKPOZEJGQ-UHFFFAOYSA-N 0 3 321.377 1.964 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000456167595 421111979 /nfs/dbraw/zinc/11/19/79/421111979.db2.gz NFZCZLLVQOBGHK-RISCZKNCSA-N 0 3 323.780 1.953 20 5 DDBDHN CN1CC[C@](O)(CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450442790 421198508 /nfs/dbraw/zinc/19/85/08/421198508.db2.gz YOSLQIFGEUMMFE-HNNXBMFYSA-N 0 3 302.334 1.622 20 5 DDBDHN CC(COC(=O)CN(C(=O)OC(C)(C)C)C1CC1)[N+](=O)[O-] ZINC000496497429 421263977 /nfs/dbraw/zinc/26/39/77/421263977.db2.gz YEZSUKCAOGQNGU-SECBINFHSA-N 0 3 302.327 1.594 20 5 DDBDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000547756409 421363397 /nfs/dbraw/zinc/36/33/97/421363397.db2.gz NXUNFNWRTOLOIB-JTQLQIEISA-N 0 3 309.370 1.558 20 5 DDBDHN Nc1nccc(C(=O)N[C@H]2CCN(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000514610809 421440610 /nfs/dbraw/zinc/44/06/10/421440610.db2.gz ACZKGXLGTSFFTK-JTQLQIEISA-N 0 3 319.365 1.319 20 5 DDBDHN CC(COC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000497207502 421387139 /nfs/dbraw/zinc/38/71/39/421387139.db2.gz HOGKVDNZZSRZNF-BBBLOLIVSA-N 0 3 304.343 1.744 20 5 DDBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CNCCC1(F)F ZINC000563562124 421521114 /nfs/dbraw/zinc/52/11/14/421521114.db2.gz OOGUMCXYUYTDNL-NSHDSACASA-N 0 3 314.292 1.391 20 5 DDBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000552041290 421570731 /nfs/dbraw/zinc/57/07/31/421570731.db2.gz HHPRWCOVBJIQAV-RYUDHWBXSA-N 0 3 306.366 1.632 20 5 DDBDHN CNc1nccc(C(=O)NC(C)(C)CN2CCCC2)c1[N+](=O)[O-] ZINC000566464206 421605944 /nfs/dbraw/zinc/60/59/44/421605944.db2.gz CRTUUTGJANZMBI-UHFFFAOYSA-N 0 3 321.381 1.636 20 5 DDBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554868329 421663941 /nfs/dbraw/zinc/66/39/41/421663941.db2.gz FBHGZEISKJLLHI-LLVKDONJSA-N 0 3 309.370 1.702 20 5 DDBDHN CC(C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)S(C)(=O)=O ZINC000186306104 263398287 /nfs/dbraw/zinc/39/82/87/263398287.db2.gz XOGWCZKRWCREEC-ZETCQYMHSA-N 0 3 320.754 1.298 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](N)Cc2ccccc21 ZINC000424071154 274845814 /nfs/dbraw/zinc/84/58/14/274845814.db2.gz DRSBBFDVELPVEG-GFCCVEGCSA-N 0 3 315.333 1.016 20 5 DDBDHN O=C1CC[C@@H](N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1 ZINC000450895390 275017683 /nfs/dbraw/zinc/01/76/83/275017683.db2.gz XNHPEFOFCFKFMX-CYBMUJFWSA-N 0 3 318.377 1.386 20 5 DDBDHN CN(C)[C@@H]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000331616753 276783061 /nfs/dbraw/zinc/78/30/61/276783061.db2.gz PTMRPQWCFVBETP-SNVBAGLBSA-N 0 3 302.334 1.852 20 5 DDBDHN C[C@@H](CO)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000447685988 278290124 /nfs/dbraw/zinc/29/01/24/278290124.db2.gz OGRWHYLGZOVMER-NSHDSACASA-N 0 3 319.365 1.364 20 5 DDBDHN C[C@@]1(F)CNCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420266492 279168157 /nfs/dbraw/zinc/16/81/57/279168157.db2.gz QSTBSFVYJPTDMH-CQSZACIVSA-N 0 3 321.312 1.783 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)[C@@H]1CCOC1 ZINC000162737425 298202091 /nfs/dbraw/zinc/20/20/91/298202091.db2.gz FWQJGMNMVNNYPT-NWDGAFQWSA-N 0 3 307.350 1.856 20 5 DDBDHN C[C@H]1CCN(C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000354005116 298336791 /nfs/dbraw/zinc/33/67/91/298336791.db2.gz FBRLTGKWFHQBBU-LBPRGKRZSA-N 0 3 307.350 1.526 20 5 DDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363094667 300209669 /nfs/dbraw/zinc/20/96/69/300209669.db2.gz GGYUPMQZFODIRT-ZIAGYGMSSA-N 0 3 320.349 1.580 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363103383 300211542 /nfs/dbraw/zinc/21/15/42/300211542.db2.gz HVEBEGFFEYNWLO-ZIAGYGMSSA-N 0 3 319.361 1.496 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCOCC3(CCCC3)C2)c1 ZINC000364322097 300376059 /nfs/dbraw/zinc/37/60/59/300376059.db2.gz DOKOMUQWSWULDN-AWEZNQCLSA-N 0 3 324.381 1.045 20 5 DDBDHN CCN(CC)CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365914524 300607278 /nfs/dbraw/zinc/60/72/78/300607278.db2.gz BTFUQFSGBNMVCG-UHFFFAOYSA-N 0 3 309.370 1.297 20 5 DDBDHN COc1ccc(CN[C@@H]2CCC(=O)N[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000367062030 300794900 /nfs/dbraw/zinc/79/49/00/300794900.db2.gz JESCTCWKCPULCO-MLGOLLRUSA-N 0 3 319.361 1.750 20 5 DDBDHN O=C1CC[C@H](NCc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C2CC2)N1 ZINC000368501063 301042119 /nfs/dbraw/zinc/04/21/19/301042119.db2.gz ZPULKHCNVIASRR-SWLSCSKDSA-N 0 3 307.325 1.881 20 5 DDBDHN CC1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@H]2O1 ZINC000368521639 301047834 /nfs/dbraw/zinc/04/78/34/301047834.db2.gz HJUXUHPKLRDUOJ-MGPQQGTHSA-N 0 3 324.381 1.184 20 5 DDBDHN COc1ccc(CN2CCCN([C@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000368953015 301109651 /nfs/dbraw/zinc/10/96/51/301109651.db2.gz ZGYQZQFTUINXQY-CYBMUJFWSA-N 0 3 323.393 1.492 20 5 DDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000355341118 306796151 /nfs/dbraw/zinc/79/61/51/306796151.db2.gz OQQITCHXZGDIMO-HNNXBMFYSA-N 0 3 321.377 1.778 20 5 DDBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000376032860 302028025 /nfs/dbraw/zinc/02/80/25/302028025.db2.gz AKOLYITZDHWXEC-GFCCVEGCSA-N 0 3 323.397 1.013 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000447243748 302395780 /nfs/dbraw/zinc/39/57/80/302395780.db2.gz JMRQFEVMJCEYJT-GHMZBOCLSA-N 0 3 313.379 1.322 20 5 DDBDHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])cn1)C1CCCC1 ZINC000532398526 303285063 /nfs/dbraw/zinc/28/50/63/303285063.db2.gz GWLCANVYCIKDIT-UHFFFAOYSA-N 0 3 306.366 1.936 20 5 DDBDHN [NH3+]C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000192027893 303394017 /nfs/dbraw/zinc/39/40/17/303394017.db2.gz JPSUJEIWACZTJA-LLVKDONJSA-N 0 3 313.379 1.391 20 5 DDBDHN CC(C)n1cc([C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000544469405 303472588 /nfs/dbraw/zinc/47/25/88/303472588.db2.gz RTQZRYZBVFWPGC-FZMZJTMJSA-N 0 3 322.369 1.280 20 5 DDBDHN N[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1c1ccc(F)cc1 ZINC000364164729 307042518 /nfs/dbraw/zinc/04/25/18/307042518.db2.gz BSTTUAHIMLLDOI-NWDGAFQWSA-N 0 3 319.292 1.894 20 5 DDBDHN CN1CC[C@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)[C@@H]2C1 ZINC000378507650 307290571 /nfs/dbraw/zinc/29/05/71/307290571.db2.gz WPDYHAQXBHKEEU-WDEREUQCSA-N 0 3 302.338 1.168 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CC[C@H](F)C2)cc1 ZINC000566131430 308045708 /nfs/dbraw/zinc/04/57/08/308045708.db2.gz ZBFXMEYRPUUXND-QWRGUYRKSA-N 0 3 316.354 1.849 20 5 DDBDHN CC1(C)[C@H](O)C[C@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000579975481 308571401 /nfs/dbraw/zinc/57/14/01/308571401.db2.gz UIMBLYCKSOVTDS-BFHYXJOUSA-N 0 3 319.361 1.449 20 5 DDBDHN CC1(C)[C@H](O)C[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000584002017 331558796 /nfs/dbraw/zinc/55/87/96/331558796.db2.gz IVIMEYYKTNBHAW-UONOGXRCSA-N 0 3 319.361 1.233 20 5 DDBDHN CN1CC=C(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000392885989 337079219 /nfs/dbraw/zinc/07/92/19/337079219.db2.gz KPOZSUOFVATBST-UHFFFAOYSA-N 0 3 315.333 1.917 20 5 DDBDHN COc1cc(C[NH2+][C@H]2CCC[C@H](CO)C2)c([N+](=O)[O-])cc1[O-] ZINC000414572657 533905543 /nfs/dbraw/zinc/90/55/43/533905543.db2.gz LODZMVCTYDMASO-JQWIXIFHSA-N 0 3 310.350 1.950 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](CN)C1CC1 ZINC000415441740 534320091 /nfs/dbraw/zinc/32/00/91/534320091.db2.gz ASFGGJXRUJVRQC-LLVKDONJSA-N 0 3 320.349 1.004 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000157291069 527312365 /nfs/dbraw/zinc/31/23/65/527312365.db2.gz RWEKLBAYMSAYKS-WFASDCNBSA-N 0 3 318.377 1.855 20 5 DDBDHN C[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000736024924 598522909 /nfs/dbraw/zinc/52/29/09/598522909.db2.gz CIPURFGQGBRUNO-VIFPVBQESA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000736024924 598522911 /nfs/dbraw/zinc/52/29/11/598522911.db2.gz CIPURFGQGBRUNO-VIFPVBQESA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000736024924 598522913 /nfs/dbraw/zinc/52/29/13/598522913.db2.gz CIPURFGQGBRUNO-VIFPVBQESA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000736024924 598522915 /nfs/dbraw/zinc/52/29/15/598522915.db2.gz CIPURFGQGBRUNO-VIFPVBQESA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@@H]1OCC[C@]1(O)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000227145462 697768738 /nfs/dbraw/zinc/76/87/38/697768738.db2.gz HRPFRCOQOSCAJW-ZANVPECISA-N 0 3 300.742 1.878 20 5 DDBDHN CC(=O)NCC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278804 698091268 /nfs/dbraw/zinc/09/12/68/698091268.db2.gz VYJIFRCRSKOKCU-INIZCTEOSA-N 0 3 321.377 1.476 20 5 DDBDHN COc1ccc(CN2CC[C@H](C3OCCO3)C2)cc1[N+](=O)[O-] ZINC000719003849 699297461 /nfs/dbraw/zinc/29/74/61/699297461.db2.gz ZFUJIOJXNFAUNP-LBPRGKRZSA-N 0 3 308.334 1.798 20 5 DDBDHN O=[N+]([O-])c1cccc(CN2CCN(CCCCCO)CC2)c1 ZINC000727025934 699395276 /nfs/dbraw/zinc/39/52/76/699395276.db2.gz OTNHDIUJEULGIL-UHFFFAOYSA-N 0 3 307.394 1.875 20 5 DDBDHN C[C@@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000744798670 699961305 /nfs/dbraw/zinc/96/13/05/699961305.db2.gz MRSVODITQNWBTA-SNVBAGLBSA-N 0 3 322.321 1.575 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](C(F)(F)F)C2)c1 ZINC000761056542 700837194 /nfs/dbraw/zinc/83/71/94/700837194.db2.gz YADKAXYKHMQBIA-PSASIEDQSA-N 0 3 308.260 1.036 20 5 DDBDHN Cc1c(CC(=O)OCC(C)[N+](=O)[O-])nnn1-c1ccc(C)cc1 ZINC000813110124 702296486 /nfs/dbraw/zinc/29/64/86/702296486.db2.gz SSBFLFAJSWRWLK-LLVKDONJSA-N 0 3 318.333 1.635 20 5 DDBDHN CC(COC(=O)c1ccc2c(c1)NC(=O)CCS2)[N+](=O)[O-] ZINC000813115501 702300330 /nfs/dbraw/zinc/30/03/30/702300330.db2.gz UBCHRSLYBFQGMB-MRVPVSSYSA-N 0 3 310.331 1.943 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H]2CCCC(F)(F)[C@H]2O)c1 ZINC000843113904 702821569 /nfs/dbraw/zinc/82/15/69/702821569.db2.gz BDOFLOWOEBCMMN-AGIUHOORSA-N 0 3 316.304 1.767 20 5 DDBDHN CC(C)(CCc1noc(C[C@@H]2CSCCN2)n1)[N+](=O)[O-] ZINC000843232765 702847011 /nfs/dbraw/zinc/84/70/11/702847011.db2.gz BULDXLUMLDSABB-SECBINFHSA-N 0 3 300.384 1.305 20 5 DDBDHN CN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000846614489 703304022 /nfs/dbraw/zinc/30/40/22/703304022.db2.gz PNIQHIWBRBFBRH-UHFFFAOYSA-N 0 3 307.354 1.130 20 5 DDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1-c1cnn(C)c1 ZINC000851037210 703774820 /nfs/dbraw/zinc/77/48/20/703774820.db2.gz SIVUFDQOUBPHHE-JTQLQIEISA-N 0 3 306.322 1.650 20 5 DDBDHN CC([C@@H](OC(=O)[C@H]1CCC(=O)O1)c1ccccc1F)[N+](=O)[O-] ZINC000870454444 704043628 /nfs/dbraw/zinc/04/36/28/704043628.db2.gz KYKVWEBOWKBYTI-RLCGTCKNSA-N 0 3 311.265 1.781 20 5 DDBDHN CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CCC1(C)C ZINC000871155475 704233190 /nfs/dbraw/zinc/23/31/90/704233190.db2.gz RNVLVMSVMWIXIK-UHFFFAOYSA-N 0 3 306.366 1.733 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000834315306 707028572 /nfs/dbraw/zinc/02/85/72/707028572.db2.gz YQPGRBNZXNVGTP-RNCFNFMXSA-N 0 3 320.305 1.279 20 5 DDBDHN CC(C)[C@H]1CN(C)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823179372 705163393 /nfs/dbraw/zinc/16/33/93/705163393.db2.gz MMGGOYZBLMYHMD-CVEARBPZSA-N 0 3 307.394 1.900 20 5 DDBDHN COc1c(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)cccc1[N+](=O)[O-] ZINC000874830374 705189338 /nfs/dbraw/zinc/18/93/38/705189338.db2.gz RGOXYZHZWPMWFB-CHWSQXEVSA-N 0 3 319.361 1.912 20 5 DDBDHN CCN1CCN(c2ccc(C(=O)OCCC[N+](=O)[O-])cc2)CC1 ZINC000860919505 705319497 /nfs/dbraw/zinc/31/94/97/705319497.db2.gz LBCWSXAZUHAWEW-UHFFFAOYSA-N 0 3 321.377 1.652 20 5 DDBDHN C[C@H](CN1CCCCC1)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824969644 705569294 /nfs/dbraw/zinc/56/92/94/705569294.db2.gz HQAMCANBYBNADM-DOMZBBRYSA-N 0 3 321.377 1.619 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000830015880 706437983 /nfs/dbraw/zinc/43/79/83/706437983.db2.gz GFDYBIMLQOTUNX-YMTOWFKASA-N 0 3 307.325 1.946 20 5 DDBDHN Cn1nc2c(c1CNCCn1cc([N+](=O)[O-])cn1)CSCC2 ZINC000883051238 707913625 /nfs/dbraw/zinc/91/36/25/707913625.db2.gz SKCCOIADDKRMTH-UHFFFAOYSA-N 0 3 322.394 1.104 20 5 DDBDHN O=[N+]([O-])c1ccccc1N1CCN(c2ccncc2CO)CC1 ZINC000891472250 710210953 /nfs/dbraw/zinc/21/09/53/710210953.db2.gz XREYLAFRUVXQAO-UHFFFAOYSA-N 0 3 314.345 1.809 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000928440062 713197016 /nfs/dbraw/zinc/19/70/16/713197016.db2.gz AMGROLIEJPFZIE-NOZJJQNGSA-N 0 3 311.769 2.000 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCN1C ZINC000928450120 713202265 /nfs/dbraw/zinc/20/22/65/713202265.db2.gz SHNDEZSYVZZIEP-BXKDBHETSA-N 0 3 321.333 1.188 20 5 DDBDHN CC[C@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)N(C)C ZINC000911469749 710811910 /nfs/dbraw/zinc/81/19/10/710811910.db2.gz IMTHZDPREASGDQ-LLVKDONJSA-N 0 3 301.293 1.829 20 5 DDBDHN CCOC(=O)c1ccnc(N2CC[C@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000893941813 710894825 /nfs/dbraw/zinc/89/48/25/710894825.db2.gz WWXPVMKHDVDUOZ-JQWIXIFHSA-N 0 3 320.349 1.307 20 5 DDBDHN COc1cc([C@H](C)N[C@@H]2CCN(C(C)=O)C2)cc([N+](=O)[O-])c1 ZINC000903207104 711064826 /nfs/dbraw/zinc/06/48/26/711064826.db2.gz VJFPJZCVBUZOAW-GXFFZTMASA-N 0 3 307.350 1.875 20 5 DDBDHN CN(CCO)CCNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC000895240943 711462219 /nfs/dbraw/zinc/46/22/19/711462219.db2.gz PLDUGUWGYGSOBH-UHFFFAOYSA-N 0 3 308.313 1.040 20 5 DDBDHN CCS(=O)(=O)CCNC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000905644560 712105369 /nfs/dbraw/zinc/10/53/69/712105369.db2.gz RQUORDVNMBUYRA-NSHDSACASA-N 0 3 300.380 1.723 20 5 DDBDHN COCC(COC)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929988949 713730086 /nfs/dbraw/zinc/73/00/86/713730086.db2.gz PAMZKIPXVYTZKU-NSHDSACASA-N 0 3 310.354 1.137 20 5 DDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000930441078 713836042 /nfs/dbraw/zinc/83/60/42/713836042.db2.gz QXWKVHMGTLHOKI-YCPHGPKFSA-N 0 3 306.362 1.873 20 5 DDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924474627 714590359 /nfs/dbraw/zinc/59/03/59/714590359.db2.gz MMJQGVYNEAVGDW-SKDRFNHKSA-N 0 3 306.322 1.138 20 5 DDBDHN CC(C)(CNCc1ccc([N+](=O)[O-])cc1)CS(C)(=O)=O ZINC000693053639 732861671 /nfs/dbraw/zinc/86/16/71/732861671.db2.gz XOCKLOJMVBMCRR-UHFFFAOYSA-N 0 3 300.380 1.755 20 5 DDBDHN Cc1[nH]ccc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125429566 733308480 /nfs/dbraw/zinc/30/84/80/733308480.db2.gz GNLAXFGOQKHCHN-UHFFFAOYSA-N 0 3 302.334 1.751 20 5 DDBDHN Cc1ccc(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)o1 ZINC001125858646 736799306 /nfs/dbraw/zinc/79/93/06/736799306.db2.gz LSEIFHWJMFNDTD-UHFFFAOYSA-N 0 3 317.345 1.945 20 5 DDBDHN CC(C)N(C)CC(=O)NC/C=C\CNc1ncccc1[N+](=O)[O-] ZINC001107232698 749661895 /nfs/dbraw/zinc/66/18/95/749661895.db2.gz GBHNXZNCGKAPSW-PLNGDYQASA-N 0 3 321.381 1.414 20 5 DDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2ccn(CC(F)(F)F)n2)C1 ZINC001168997517 762169696 /nfs/dbraw/zinc/16/96/96/762169696.db2.gz CVQWEQHSABONMZ-NXEZZACHSA-N 0 3 306.288 1.980 20 5 DDBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1cccnn1 ZINC001169008188 762177000 /nfs/dbraw/zinc/17/70/00/762177000.db2.gz JZYBTLXXBQPGJO-UHFFFAOYSA-N 0 3 321.362 1.356 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])c(-n2ccc([C@H](C)N)n2)cc1OC ZINC001169232271 762293519 /nfs/dbraw/zinc/29/35/19/762293519.db2.gz CFSFHOPSWYUYGD-QMMMGPOBSA-N 0 3 320.305 1.595 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1cnsn1 ZINC001155091658 760573306 /nfs/dbraw/zinc/57/33/06/760573306.db2.gz SXLQLKGHWJQGQG-UHFFFAOYSA-N 0 3 321.362 1.356 20 5 DDBDHN Cc1cncn1CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001131376955 768102339 /nfs/dbraw/zinc/10/23/39/768102339.db2.gz DYPMQHUQSMRIOU-UHFFFAOYSA-N 0 3 317.349 1.006 20 5 DDBDHN Cc1cncn1CC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001131380696 768105251 /nfs/dbraw/zinc/10/52/51/768105251.db2.gz WWTLKHDKYCEVML-UHFFFAOYSA-N 0 3 317.349 1.006 20 5 DDBDHN COc1ccc(C[C@H](C)N2CC[C@H](O)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170334411 766256923 /nfs/dbraw/zinc/25/69/23/766256923.db2.gz DGUXSSZQEXHVRR-RBOXIYTFSA-N 0 3 324.377 1.210 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(NCCNC(=O)CN(C)C(C)C)n1 ZINC001093674450 774989204 /nfs/dbraw/zinc/98/92/04/774989204.db2.gz XVWYAFLFGJEFCH-UHFFFAOYSA-N 0 3 309.370 1.167 20 5 DDBDHN CN(C)C1(C(=O)NCCNc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC001093927769 775220940 /nfs/dbraw/zinc/22/09/40/775220940.db2.gz NHEGOBUDJDJYKR-UHFFFAOYSA-N 0 3 324.356 1.746 20 5 DDBDHN Cc1ccnc(N(C)CCNC(=O)CN(C)C(C)C)c1[N+](=O)[O-] ZINC001100149752 775735720 /nfs/dbraw/zinc/73/57/20/775735720.db2.gz OXALVMOZLQHFJL-UHFFFAOYSA-N 0 3 323.397 1.191 20 5 DDBDHN CCN(C)C(C)(C)C(=O)N(C)CCNc1ncccc1[N+](=O)[O-] ZINC001101829475 777575929 /nfs/dbraw/zinc/57/59/29/777575929.db2.gz NHECTEQEHALQAG-UHFFFAOYSA-N 0 3 323.397 1.590 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)c1C ZINC001119403813 781439059 /nfs/dbraw/zinc/43/90/59/781439059.db2.gz NPMWQPVKZJZAHO-OCCSQVGLSA-N 0 3 303.362 1.988 20 5 DDBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cnccn1 ZINC001267341359 837863261 /nfs/dbraw/zinc/86/32/61/837863261.db2.gz DYYHPLFHMGRSAZ-UHFFFAOYSA-N 0 3 315.333 1.247 20 5 DDBDHN CC(C)c1cnc(CNCCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001268791798 840820430 /nfs/dbraw/zinc/82/04/30/840820430.db2.gz RBXYNLPWNOGQOA-VXGBXAGGSA-N 0 3 324.381 1.401 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1cncs1 ZINC001155207761 861841106 /nfs/dbraw/zinc/84/11/06/861841106.db2.gz BITCPVGOHZAUPL-UHFFFAOYSA-N 0 3 320.374 1.961 20 5 DDBDHN CC[C@@H](C)N1CCN(c2nnc(C[N+](=O)[O-])n2CC(C)C)CC1 ZINC001122817780 858978856 /nfs/dbraw/zinc/97/88/56/858978856.db2.gz PROATEBWRFEKHO-CYBMUJFWSA-N 0 3 324.429 1.631 20 5 DDBDHN Cc1ocnc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001124375730 859697064 /nfs/dbraw/zinc/69/70/64/859697064.db2.gz NKEAZLYLUCMVFT-UHFFFAOYSA-N 0 3 304.306 1.411 20 5 DDBDHN CN1CCN(CCCNc2ccc3ncc([N+](=O)[O-])n3c2)CC1 ZINC001161708453 866919800 /nfs/dbraw/zinc/91/98/00/866919800.db2.gz KPDKDRMIRXVNSM-UHFFFAOYSA-N 0 3 318.381 1.292 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1cnco1 ZINC001163528798 868511023 /nfs/dbraw/zinc/51/10/23/868511023.db2.gz JTXPDLCPPFWYKJ-UHFFFAOYSA-N 0 3 304.306 1.493 20 5 DDBDHN N[C@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C[C@H]1F ZINC001165116961 869385701 /nfs/dbraw/zinc/38/57/01/869385701.db2.gz LIQYIWXYVPGDBS-SFYZADRCSA-N 0 3 310.663 1.674 20 5 DDBDHN O=C(N[C@@H]1COC2(CNC2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001341366705 871622180 /nfs/dbraw/zinc/62/21/80/871622180.db2.gz GGVMFMVVNDYECP-VIFPVBQESA-N 0 3 311.725 1.109 20 5 DDBDHN Nc1cc(O[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)ccn1 ZINC001226653787 882570107 /nfs/dbraw/zinc/57/01/07/882570107.db2.gz POBNLMIBUOKGOH-ZDUSSCGKSA-N 0 3 303.274 1.789 20 5 DDBDHN C[C@@H](CNC(=O)CNC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC001342831681 872405441 /nfs/dbraw/zinc/40/54/41/872405441.db2.gz HQZXVIXHYLNQKL-STQMWFEESA-N 0 3 321.377 1.583 20 5 DDBDHN COc1c(O)ccc(CNCCc2cncc(C)n2)c1[N+](=O)[O-] ZINC001206692158 872512716 /nfs/dbraw/zinc/51/27/16/872512716.db2.gz YPWDZZNVLKLTTD-UHFFFAOYSA-N 0 3 318.333 1.740 20 5 DDBDHN O=C1CCNC[C@@H]1N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246297299 892519096 /nfs/dbraw/zinc/51/90/96/892519096.db2.gz YZHHXQSTXOOHKA-HIFRSBDPSA-N 0 3 303.362 1.363 20 5 DDBDHN O=C(CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCCCC1 ZINC001254585843 896515937 /nfs/dbraw/zinc/51/59/37/896515937.db2.gz XQOXMPGUTXGKIW-CQSZACIVSA-N 0 3 303.362 1.664 20 5 DDBDHN O=[N+]([O-])c1cnc(N2CCCN(CCO)CC2)c2ccccc21 ZINC001262060370 899922853 /nfs/dbraw/zinc/92/28/53/899922853.db2.gz YSMSVFIENOZYHJ-UHFFFAOYSA-N 0 3 316.361 1.647 20 5 DDBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001263202033 900531446 /nfs/dbraw/zinc/53/14/46/900531446.db2.gz QGIIAOGPNKBQOE-WOPDTQHZSA-N 0 3 307.350 1.571 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H](O)[C@@H](O)C3)s2)cc1 ZINC000278435395 214151292 /nfs/dbraw/zinc/15/12/92/214151292.db2.gz UQKGWDYLRUQTNG-KBPBESRZSA-N 0 3 320.370 1.861 20 5 DDBDHN CC[C@]1(O)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000495209185 529442240 /nfs/dbraw/zinc/44/22/40/529442240.db2.gz APFPIHFKAFOCKW-WFASDCNBSA-N 0 3 310.350 1.181 20 5 DDBDHN CNC(=O)[C@H](C)N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000426341283 529917649 /nfs/dbraw/zinc/91/76/49/529917649.db2.gz AVJRMKKUFWMPIA-ZJUUUORDSA-N 0 3 308.338 1.036 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000299354234 530057304 /nfs/dbraw/zinc/05/73/04/530057304.db2.gz AOZNWOHJBHBWPG-SNVBAGLBSA-N 0 3 311.313 1.323 20 5 DDBDHN C[C@H]1NCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000262843952 186312114 /nfs/dbraw/zinc/31/21/14/186312114.db2.gz YBCAWQWSRYSDHL-NEPJUHHUSA-N 0 3 306.366 1.606 20 5 DDBDHN CC[NH2+]CCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000036299408 352295089 /nfs/dbraw/zinc/29/50/89/352295089.db2.gz OVXHSWWPCZJWJA-UHFFFAOYSA-N 0 3 315.395 1.490 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCn3cccn3)C2)nc1 ZINC000072665273 191211467 /nfs/dbraw/zinc/21/14/67/191211467.db2.gz PRXSNYSNMXZKBT-GFCCVEGCSA-N 0 3 302.338 1.373 20 5 DDBDHN O=C1C[C@@]2(CN1)CCCN(CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000072829658 353218594 /nfs/dbraw/zinc/21/85/94/353218594.db2.gz CSMAPWHZDNIVAB-MRXNPFEDSA-N 0 3 319.361 1.576 20 5 DDBDHN COC1CCN(CCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000079681015 353572959 /nfs/dbraw/zinc/57/29/59/353572959.db2.gz SUIBMJKOQYWUSH-UHFFFAOYSA-N 0 3 321.377 1.364 20 5 DDBDHN CC[C@@H](C)[C@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000320278151 354526612 /nfs/dbraw/zinc/52/66/12/354526612.db2.gz VSEUGRUFITZYBJ-RISCZKNCSA-N 0 3 321.381 1.012 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CCN(C)C[C@@H]3C2)c1 ZINC000323787884 354541751 /nfs/dbraw/zinc/54/17/51/354541751.db2.gz CKJYBQODNNIXBW-QWHCGFSZSA-N 0 3 319.361 1.769 20 5 DDBDHN CC(C)c1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000590554670 355112672 /nfs/dbraw/zinc/11/26/72/355112672.db2.gz YTNQJRALZHTWSQ-GJZGRUSLSA-N 0 3 321.377 1.465 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000590444720 355098200 /nfs/dbraw/zinc/09/82/00/355098200.db2.gz KEKZHHWPPQVFME-BONVTDFDSA-N 0 3 314.345 1.852 20 5 DDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291227837 291063557 /nfs/dbraw/zinc/06/35/57/291063557.db2.gz WLLPQRIILGESLJ-WDEREUQCSA-N 0 3 319.365 1.152 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N2CN(CCN(C)C)C(=O)[C@@H]2C)c1 ZINC000591984430 355453067 /nfs/dbraw/zinc/45/30/67/355453067.db2.gz GQXMBRWEZLZTAF-LBPRGKRZSA-N 0 3 306.366 1.459 20 5 DDBDHN CN(CCN1CCCCC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000593112614 355802950 /nfs/dbraw/zinc/80/29/50/355802950.db2.gz RBYRKJNWIZIIBH-UHFFFAOYSA-N 0 3 320.393 1.611 20 5 DDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCN1CCCCC1 ZINC000593408168 355876209 /nfs/dbraw/zinc/87/62/09/355876209.db2.gz RWSANOAIDIJDML-UHFFFAOYSA-N 0 3 309.341 1.879 20 5 DDBDHN CN(C)C[C@H]1CCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593448896 355888224 /nfs/dbraw/zinc/88/82/24/355888224.db2.gz QSLCCTRXGCSRJR-CYBMUJFWSA-N 0 3 309.341 1.829 20 5 DDBDHN CNc1ccc(C(=O)N[C@@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594450979 356221920 /nfs/dbraw/zinc/22/19/20/356221920.db2.gz AKKKVJYHOOTNAI-VIFPVBQESA-N 0 3 306.244 1.256 20 5 DDBDHN C[C@@H](CO)[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595679068 356607094 /nfs/dbraw/zinc/60/70/94/356607094.db2.gz UTICLVPURXOESR-JSGCOSHPSA-N 0 3 309.366 1.239 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000595744151 356632719 /nfs/dbraw/zinc/63/27/19/356632719.db2.gz TVXJDOXJUXFWST-UPJWGTAASA-N 0 3 324.377 1.283 20 5 DDBDHN C[C@H](CN1CCCCC1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596075551 356763640 /nfs/dbraw/zinc/76/36/40/356763640.db2.gz HARCSIZYMPSRDH-LLVKDONJSA-N 0 3 306.366 1.980 20 5 DDBDHN C[C@H]1C[N@H+](CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCO1 ZINC000596207349 356814390 /nfs/dbraw/zinc/81/43/90/356814390.db2.gz DGYLAORCNIALFP-NSHDSACASA-N 0 3 310.354 1.608 20 5 DDBDHN C[C@H]1C[N@@H+](CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCO1 ZINC000596207349 356814394 /nfs/dbraw/zinc/81/43/94/356814394.db2.gz DGYLAORCNIALFP-NSHDSACASA-N 0 3 310.354 1.608 20 5 DDBDHN C[NH+](C)CCOC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596123867 356781648 /nfs/dbraw/zinc/78/16/48/356781648.db2.gz GGDZCPLQJHMDFE-UHFFFAOYSA-N 0 3 310.354 1.242 20 5 DDBDHN C[C@H](CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])N(C)C ZINC000596430875 356877987 /nfs/dbraw/zinc/87/79/87/356877987.db2.gz LGXZETAKIIISOJ-MRVPVSSYSA-N 0 3 321.424 1.812 20 5 DDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000597858480 357361514 /nfs/dbraw/zinc/36/15/14/357361514.db2.gz LZKQSOBDPCJBGC-GFCCVEGCSA-N 0 3 321.377 1.963 20 5 DDBDHN CC[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1 ZINC000598535343 357624311 /nfs/dbraw/zinc/62/43/11/357624311.db2.gz BXULQDFRWILPJY-NWDGAFQWSA-N 0 3 307.350 1.573 20 5 DDBDHN CC[C@@H]1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598535928 357624856 /nfs/dbraw/zinc/62/48/56/357624856.db2.gz LOPNGLMURMKJBK-CMPLNLGQSA-N 0 3 307.350 1.816 20 5 DDBDHN CCN1CCC[C@@H]1CNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598588080 357642177 /nfs/dbraw/zinc/64/21/77/357642177.db2.gz YWWYDNQTDWJAFD-SNVBAGLBSA-N 0 3 308.338 1.673 20 5 DDBDHN NC(=O)NC(=O)CCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179521605 283301467 /nfs/dbraw/zinc/30/14/67/283301467.db2.gz HWOAWTKQBOBLHJ-UHFFFAOYSA-N 0 3 320.349 1.534 20 5 DDBDHN Cc1ccc(CNCc2nc(C[NH3+])cc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000600776100 358312886 /nfs/dbraw/zinc/31/28/86/358312886.db2.gz OUTDJDFWVNRFQW-UHFFFAOYSA-N 0 3 303.322 1.147 20 5 DDBDHN O=[N+]([O-])c1cc2c(ncnc2N2CC(N3CCCC3)C2)s1 ZINC000601194235 358441169 /nfs/dbraw/zinc/44/11/69/358441169.db2.gz VTNZVVDOLLACMT-UHFFFAOYSA-N 0 3 305.363 1.884 20 5 DDBDHN CCCNC(=O)[C@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602767113 359177014 /nfs/dbraw/zinc/17/70/14/359177014.db2.gz VZCKVANTSDTRQW-ZDUSSCGKSA-N 0 3 323.397 1.338 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000602801072 359201178 /nfs/dbraw/zinc/20/11/78/359201178.db2.gz LFFDODLLVLXTAS-OLZOCXBDSA-N 0 3 310.398 1.829 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000602959329 359323053 /nfs/dbraw/zinc/32/30/53/359323053.db2.gz SUJPMPJAUBQYMH-VXGBXAGGSA-N 0 3 321.381 1.667 20 5 DDBDHN C[C@H](N[C@@H](CC(N)=O)C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000348279099 283447877 /nfs/dbraw/zinc/44/78/77/283447877.db2.gz OJMNHGMZKROUJL-FZMZJTMJSA-N 0 3 321.377 1.916 20 5 DDBDHN CN(CCCN(C)c1ncc([N+](=O)[O-])cn1)Cc1ccncc1 ZINC000603399575 359616712 /nfs/dbraw/zinc/61/67/12/359616712.db2.gz GSKAOSFFXWHWIP-UHFFFAOYSA-N 0 3 316.365 1.738 20 5 DDBDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000189406241 200396091 /nfs/dbraw/zinc/39/60/91/200396091.db2.gz QIEIOELOTMEHPY-ZDUSSCGKSA-N 0 3 307.394 1.872 20 5 DDBDHN CCN1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000609283850 360286534 /nfs/dbraw/zinc/28/65/34/360286534.db2.gz FREMKTLZMUTXFV-UKRRQHHQSA-N 0 3 323.393 1.361 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000610654056 360492647 /nfs/dbraw/zinc/49/26/47/360492647.db2.gz GVVMHBIWPJJXLJ-MNOVXSKESA-N 0 3 321.381 1.268 20 5 DDBDHN CC(C)N1CCN([C@H]2CCN(c3cccnc3[N+](=O)[O-])C2)CC1 ZINC000610726090 360518468 /nfs/dbraw/zinc/51/84/68/360518468.db2.gz PPNANKGEHGEGOW-AWEZNQCLSA-N 0 3 319.409 1.595 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](C(F)F)C1 ZINC000612110346 360922966 /nfs/dbraw/zinc/92/29/66/360922966.db2.gz DLVXILPDBGJFGS-WDEREUQCSA-N 0 3 316.304 1.922 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCC[NH3+])c1 ZINC000193230289 201009635 /nfs/dbraw/zinc/00/96/35/201009635.db2.gz NBNHRIBCFLFSRF-UHFFFAOYSA-N 0 3 307.759 1.184 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160063697 197382800 /nfs/dbraw/zinc/38/28/00/197382800.db2.gz DIBGUOGZXZQAIE-AWEZNQCLSA-N 0 3 321.377 1.480 20 5 DDBDHN CN(C[C@@H]1CCN(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000104747414 194034100 /nfs/dbraw/zinc/03/41/00/194034100.db2.gz UXYNTEYXEOSPTL-LLVKDONJSA-N 0 3 313.379 1.167 20 5 DDBDHN CC(C)[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])N(C)C ZINC000106408616 194209968 /nfs/dbraw/zinc/20/99/68/194209968.db2.gz WLIKWYUTQKXVRZ-CQSZACIVSA-N 0 3 308.382 1.709 20 5 DDBDHN COc1cc(C(=O)NC[C@H]2CCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000109992238 194302671 /nfs/dbraw/zinc/30/26/71/194302671.db2.gz YGICHSORFYNEOZ-SNVBAGLBSA-N 0 3 323.349 1.294 20 5 DDBDHN CC1CCN(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000057213451 184029645 /nfs/dbraw/zinc/02/96/45/184029645.db2.gz AEFSQXKPCGPDOB-UHFFFAOYSA-N 0 3 324.356 1.778 20 5 DDBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000286505570 219025157 /nfs/dbraw/zinc/02/51/57/219025157.db2.gz UOVLIZFZGCAHAT-KBPBESRZSA-N 0 3 320.393 1.988 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CCCCC3)C2)n1 ZINC000271449960 208922084 /nfs/dbraw/zinc/92/20/84/208922084.db2.gz VLEUHCLNFLCGNR-LLVKDONJSA-N 0 3 307.354 1.029 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](CO)C1CCCC1 ZINC000352706351 285242275 /nfs/dbraw/zinc/24/22/75/285242275.db2.gz MXIXZSSZJQYGDH-HNNXBMFYSA-N 0 3 321.377 1.982 20 5 DDBDHN C[C@@H]1CSC[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000352813297 285317854 /nfs/dbraw/zinc/31/78/54/285317854.db2.gz AVQIKMUWDLTGJZ-MFKMUULPSA-N 0 3 309.391 1.899 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CCN1C ZINC000330915845 533603547 /nfs/dbraw/zinc/60/35/47/533603547.db2.gz URUDUWLRVLFSNW-NEPJUHHUSA-N 0 3 306.366 1.606 20 5 DDBDHN C[C@@H](CCS(C)(=O)=O)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569000665 304329231 /nfs/dbraw/zinc/32/92/31/304329231.db2.gz MKCKPMAFMXHUEK-GXFFZTMASA-N 0 3 312.391 1.995 20 5 DDBDHN CCOC(=O)C[C@](C)(NCc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000360677254 299717804 /nfs/dbraw/zinc/71/78/04/299717804.db2.gz XNHXGVBRQKWWPY-AWEZNQCLSA-N 0 3 312.370 1.786 20 5 DDBDHN Cc1ccnc([C@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000569739210 304376223 /nfs/dbraw/zinc/37/62/23/304376223.db2.gz LHQSCHXQXSSHPZ-ZDUSSCGKSA-N 0 3 301.350 1.984 20 5 DDBDHN Cc1cc(C(=O)NCCN2CCCCC2)c(N)c([N+](=O)[O-])c1 ZINC000068516426 406647994 /nfs/dbraw/zinc/64/79/94/406647994.db2.gz YECTYJWQSGQSOK-UHFFFAOYSA-N 0 3 306.366 1.701 20 5 DDBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)CNc1ccccc1[N+](=O)[O-])C2 ZINC000073992363 406899539 /nfs/dbraw/zinc/89/95/39/406899539.db2.gz FSLITHSRTDWSPD-QWHCGFSZSA-N 0 3 318.377 1.702 20 5 DDBDHN CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000075221603 406926800 /nfs/dbraw/zinc/92/68/00/406926800.db2.gz AFQSQBSALHQKAQ-UHFFFAOYSA-N 0 3 322.321 1.669 20 5 DDBDHN CC(C)(CNCc1cccc([N+](=O)[O-])c1)NS(C)(=O)=O ZINC000067005729 407265830 /nfs/dbraw/zinc/26/58/30/407265830.db2.gz NHVUNNPQMHTDKN-UHFFFAOYSA-N 0 3 301.368 1.012 20 5 DDBDHN C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@H](C)C1 ZINC000068084339 407294536 /nfs/dbraw/zinc/29/45/36/407294536.db2.gz STEKDNZZAHAXKO-NEPJUHHUSA-N 0 3 309.370 1.028 20 5 DDBDHN CN(CCN1CCCC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000112745556 407438711 /nfs/dbraw/zinc/43/87/11/407438711.db2.gz USASYMILWLEEKU-UHFFFAOYSA-N 0 3 320.393 1.875 20 5 DDBDHN CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1n[n-]cc1[N+](=O)[O-])C2 ZINC000126328553 407410681 /nfs/dbraw/zinc/41/06/81/407410681.db2.gz MRKAKARDLYILJQ-WDEREUQCSA-N 0 3 307.354 1.405 20 5 DDBDHN CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1n[n-]cc1[N+](=O)[O-])C2 ZINC000126328553 407410683 /nfs/dbraw/zinc/41/06/83/407410683.db2.gz MRKAKARDLYILJQ-WDEREUQCSA-N 0 3 307.354 1.405 20 5 DDBDHN CCCCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000112364059 407427693 /nfs/dbraw/zinc/42/76/93/407427693.db2.gz VIUUMVXFHZZCTI-UHFFFAOYSA-N 0 3 315.395 1.605 20 5 DDBDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185778393 407498787 /nfs/dbraw/zinc/49/87/87/407498787.db2.gz KZGUYKVWWGFSOU-LBPRGKRZSA-N 0 3 313.379 1.310 20 5 DDBDHN CN(C)[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000170860679 407534523 /nfs/dbraw/zinc/53/45/23/407534523.db2.gz SRLMYIJBFLKAIS-CYBMUJFWSA-N 0 3 318.377 1.945 20 5 DDBDHN CN(CCn1ccc([N+](=O)[O-])n1)[C@@H](CCO)c1ccccc1 ZINC000267043198 407727259 /nfs/dbraw/zinc/72/72/59/407727259.db2.gz DMIYLMLUYPJDOX-AWEZNQCLSA-N 0 3 304.350 1.847 20 5 DDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN(C)C1CC1 ZINC000186726374 407758868 /nfs/dbraw/zinc/75/88/68/407758868.db2.gz HXBOZKPDGGJZCE-UHFFFAOYSA-N 0 3 320.393 1.827 20 5 DDBDHN CC(C)(C(=O)NC[C@@H](N)c1ccccc1)n1cc([N+](=O)[O-])cn1 ZINC000236711991 407758000 /nfs/dbraw/zinc/75/80/00/407758000.db2.gz FKMCUINZZPRGRV-CYBMUJFWSA-N 0 3 317.349 1.343 20 5 DDBDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000245854044 408080812 /nfs/dbraw/zinc/08/08/12/408080812.db2.gz DHDIXYGCFMVVKX-MNOVXSKESA-N 0 3 307.354 1.027 20 5 DDBDHN C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000273308895 408146459 /nfs/dbraw/zinc/14/64/59/408146459.db2.gz OPSKSRBUNHAMHT-RISCZKNCSA-N 0 3 320.349 1.419 20 5 DDBDHN CC[C@H](C)NC(=O)CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000121456619 408215976 /nfs/dbraw/zinc/21/59/76/408215976.db2.gz NCKHCBNXOPJDID-NSHDSACASA-N 0 3 309.366 1.998 20 5 DDBDHN CN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@@H]1CCCN(C)C1 ZINC000151202718 408274345 /nfs/dbraw/zinc/27/43/45/408274345.db2.gz BKBXLAJITTYLKI-LLVKDONJSA-N 0 3 309.370 1.079 20 5 DDBDHN COc1cc(C(=O)N2CC[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000170856120 162195138 /nfs/dbraw/zinc/19/51/38/162195138.db2.gz IPYNRHBTCILKRG-SNVBAGLBSA-N 0 3 323.349 1.388 20 5 DDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000247369727 408459326 /nfs/dbraw/zinc/45/93/26/408459326.db2.gz KRXSLTVHWKYVIE-QWHCGFSZSA-N 0 3 321.377 1.772 20 5 DDBDHN COCCN(CCN(C)C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000264203564 408402195 /nfs/dbraw/zinc/40/21/95/408402195.db2.gz RLPNJZKCSAASMK-UHFFFAOYSA-N 0 3 309.366 1.553 20 5 DDBDHN COC[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000183448765 408413656 /nfs/dbraw/zinc/41/36/56/408413656.db2.gz XAMSXLPQWYPZTQ-AWEZNQCLSA-N 0 3 319.361 1.499 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177033686 408503204 /nfs/dbraw/zinc/50/32/04/408503204.db2.gz SMCLSNVZAAOGAC-VXGBXAGGSA-N 0 3 318.377 1.748 20 5 DDBDHN CC[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000247392448 408462935 /nfs/dbraw/zinc/46/29/35/408462935.db2.gz XGLYJJYLFLZQPJ-ZFWWWQNUSA-N 0 3 307.394 1.872 20 5 DDBDHN CC(C)N1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000161297884 408584027 /nfs/dbraw/zinc/58/40/27/408584027.db2.gz DGQAWKPSBNGHOA-JQWIXIFHSA-N 0 3 306.366 1.636 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000161403914 408600662 /nfs/dbraw/zinc/60/06/62/408600662.db2.gz MIJYZYZAUUQHTQ-ONGXEEELSA-N 0 3 309.370 1.095 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](O)[C@@H](C)C1 ZINC000249536715 408738364 /nfs/dbraw/zinc/73/83/64/408738364.db2.gz CQJOBKLCANJOJP-WFASDCNBSA-N 0 3 321.377 1.935 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@](C)(O)C1 ZINC000177980402 408750110 /nfs/dbraw/zinc/75/01/10/408750110.db2.gz IDWPOWZMNKULKY-OAHLLOKOSA-N 0 3 323.349 1.389 20 5 DDBDHN C[C@H]1C[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CN1C1CC1 ZINC000290839172 408841248 /nfs/dbraw/zinc/84/12/48/408841248.db2.gz VQPLXSDNOHAHHA-GXSJLCMTSA-N 0 3 304.350 1.731 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000408055365 164211327 /nfs/dbraw/zinc/21/13/27/164211327.db2.gz XJTSFUXEVPDZAC-NSHDSACASA-N 0 3 307.354 1.029 20 5 DDBDHN O=C(CNC1(CO)CCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000305195567 409723957 /nfs/dbraw/zinc/72/39/57/409723957.db2.gz DPGXFIARXVJCRS-UHFFFAOYSA-N 0 3 319.361 1.379 20 5 DDBDHN CCN1CC[C@H]2OCCN(c3nc(C)cc(C)c3[N+](=O)[O-])[C@H]2C1 ZINC000338734768 410033352 /nfs/dbraw/zinc/03/33/52/410033352.db2.gz SZHZXKIUGRLADI-UONOGXRCSA-N 0 3 320.393 1.906 20 5 DDBDHN Cc1n[nH]c(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000354664320 410003078 /nfs/dbraw/zinc/00/30/78/410003078.db2.gz QLWMGJWPHVGUCC-NXEZZACHSA-N 0 3 309.370 1.619 20 5 DDBDHN C[C@@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000351774895 410225182 /nfs/dbraw/zinc/22/51/82/410225182.db2.gz PGFPHEDEWSVUPT-MFKMUULPSA-N 0 3 321.333 1.205 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCCN1C ZINC000343427198 410440869 /nfs/dbraw/zinc/44/08/69/410440869.db2.gz DQVDDGJGHLUTHY-ZYHUDNBSSA-N 0 3 309.370 1.125 20 5 DDBDHN C[C@H](CN1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000299079969 410511715 /nfs/dbraw/zinc/51/17/15/410511715.db2.gz HAPSXFFRIPEXDP-GHMZBOCLSA-N 0 3 321.381 1.621 20 5 DDBDHN O=[N+]([O-])c1cccnc1N1CCC[C@H]1CN1CCC[C@H]1CO ZINC000301530277 410739252 /nfs/dbraw/zinc/73/92/52/410739252.db2.gz KWBFAPNDMVVBMY-STQMWFEESA-N 0 3 306.366 1.415 20 5 DDBDHN COC(=O)COc1ccc(CN[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000353242524 410873393 /nfs/dbraw/zinc/87/33/93/410873393.db2.gz ZDGFRAWAGDPASS-SNVBAGLBSA-N 0 3 312.322 1.007 20 5 DDBDHN C[C@](O)(CNCCOc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000579948186 422861597 /nfs/dbraw/zinc/86/15/97/422861597.db2.gz TYTVFIXVSUUPPS-NSHDSACASA-N 0 3 308.256 1.877 20 5 DDBDHN O=[N+]([O-])c1ccn(C2CCN(CCO[C@@H]3CCCCO3)CC2)n1 ZINC000365866544 418917394 /nfs/dbraw/zinc/91/73/94/418917394.db2.gz CAOUAOJSMYBBSA-OAHLLOKOSA-N 0 3 324.381 1.971 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]2CCO)c1 ZINC000426254576 419423554 /nfs/dbraw/zinc/42/35/54/419423554.db2.gz DZLRASKILOYYJZ-JSGCOSHPSA-N 0 3 310.350 1.181 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCN(C(C)C)CC2)n1 ZINC000427448149 419661721 /nfs/dbraw/zinc/66/17/21/419661721.db2.gz FLTHHCVNGUQSHS-UHFFFAOYSA-N 0 3 309.370 1.368 20 5 DDBDHN CN(C[C@H]1CCCN1C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000421699027 419685183 /nfs/dbraw/zinc/68/51/83/419685183.db2.gz ABSJOZTUKWHEMM-CYBMUJFWSA-N 0 3 307.350 1.526 20 5 DDBDHN CN(C)CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000428978320 419957340 /nfs/dbraw/zinc/95/73/40/419957340.db2.gz OMMITUALNUVGDE-UHFFFAOYSA-N 0 3 318.333 1.200 20 5 DDBDHN CC(C)(CN)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415386780 420044600 /nfs/dbraw/zinc/04/46/00/420044600.db2.gz XIRCQPJNTAQHIW-UHFFFAOYSA-N 0 3 314.729 1.040 20 5 DDBDHN CCc1ccccc1[C@H](N)CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000423973144 420288902 /nfs/dbraw/zinc/28/89/02/420288902.db2.gz JIXSGQJHFUGMPZ-GFCCVEGCSA-N 0 3 317.349 1.619 20 5 DDBDHN CN(C[C@@H]1CCCN1C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000420802936 420396570 /nfs/dbraw/zinc/39/65/70/420396570.db2.gz SMTSJETYNHFPAC-AWEZNQCLSA-N 0 3 320.393 1.873 20 5 DDBDHN Cc1ccc(S(=O)(=O)NC[C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000416498437 420396599 /nfs/dbraw/zinc/39/65/99/420396599.db2.gz XHHJLIYHAAYOQX-NSHDSACASA-N 0 3 313.379 1.133 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CC[NH2+]C2)c1C ZINC000440841226 420612611 /nfs/dbraw/zinc/61/26/11/420612611.db2.gz CGOLWILLYHMYFW-LLVKDONJSA-N 0 3 313.379 1.099 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@]2(CCSC2)C1 ZINC000451986023 420618975 /nfs/dbraw/zinc/61/89/75/420618975.db2.gz XDPNTZHYTRKKNM-HNNXBMFYSA-N 0 3 323.418 1.976 20 5 DDBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000457120163 420621525 /nfs/dbraw/zinc/62/15/25/420621525.db2.gz NTUJWDPMLKJMSV-LLVKDONJSA-N 0 3 324.356 1.871 20 5 DDBDHN CNS(=O)(=O)c1ccc(SCCN(C)C)c([N+](=O)[O-])c1 ZINC000447649354 420790617 /nfs/dbraw/zinc/79/06/17/420790617.db2.gz HNYGWMYMYAUFQQ-UHFFFAOYSA-N 0 3 319.408 1.157 20 5 DDBDHN CNc1nc(C(=O)NCCN2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000454735380 420917222 /nfs/dbraw/zinc/91/72/22/420917222.db2.gz KHAWYYBNRWHFIJ-NSHDSACASA-N 0 3 321.381 1.636 20 5 DDBDHN CC[C@@H]1OCC[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000459767462 420869048 /nfs/dbraw/zinc/86/90/48/420869048.db2.gz FQFAAGUGQWFHLD-KGLIPLIRSA-N 0 3 307.350 1.715 20 5 DDBDHN [NH3+][C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000479763844 420985705 /nfs/dbraw/zinc/98/57/05/420985705.db2.gz KBKPLPSWMWGZDE-LJGSYFOKSA-N 0 3 305.743 1.016 20 5 DDBDHN CN(C)CCOCCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000471636418 420936103 /nfs/dbraw/zinc/93/61/03/420936103.db2.gz NAOBWBBDWKHQPS-UHFFFAOYSA-N 0 3 324.381 1.015 20 5 DDBDHN CNc1nc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000455657472 421050349 /nfs/dbraw/zinc/05/03/49/421050349.db2.gz MFEZJUZEXLUVAZ-GHMZBOCLSA-N 0 3 319.365 1.340 20 5 DDBDHN CNc1nc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000455996170 421086010 /nfs/dbraw/zinc/08/60/10/421086010.db2.gz OZMSABPLEXPVTN-GXFFZTMASA-N 0 3 319.365 1.198 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CCCN2CCCO)n1 ZINC000450598852 421215336 /nfs/dbraw/zinc/21/53/36/421215336.db2.gz RSCVMKZHEPBCOW-ZDUSSCGKSA-N 0 3 308.382 1.865 20 5 DDBDHN CC(COC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2)[N+](=O)[O-] ZINC000496558822 421273941 /nfs/dbraw/zinc/27/39/41/421273941.db2.gz LFGFYZNIHMESQD-VHSXEESVSA-N 0 3 314.338 1.452 20 5 DDBDHN Cc1cccc(C(=O)NC[C@]2(O)CN3CCC2CC3)c1[N+](=O)[O-] ZINC000560508758 421276393 /nfs/dbraw/zinc/27/63/93/421276393.db2.gz WDXVUVDYWIXAHA-INIZCTEOSA-N 0 3 319.361 1.090 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000548403849 421433713 /nfs/dbraw/zinc/43/37/13/421433713.db2.gz HDWYBMFEWHFEPW-ZDUSSCGKSA-N 0 3 308.382 1.784 20 5 DDBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000549153396 421496372 /nfs/dbraw/zinc/49/63/72/421496372.db2.gz LPDKMYMXSSZSKE-UHFFFAOYSA-N 0 3 317.349 1.522 20 5 DDBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000553785426 421625919 /nfs/dbraw/zinc/62/59/19/421625919.db2.gz ZEFLTRVISQPIRV-SLEUVZQESA-N 0 3 318.377 1.792 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCCOC3)CC2)cn1 ZINC000532639956 421662712 /nfs/dbraw/zinc/66/27/12/421662712.db2.gz CPVVBSSQFQFHNR-ZDUSSCGKSA-N 0 3 306.366 1.538 20 5 DDBDHN C[C@H](NC[C@H](O)COC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000519635715 421711607 /nfs/dbraw/zinc/71/16/07/421711607.db2.gz COHKRLRGUDJPNG-WFASDCNBSA-N 0 3 324.377 1.802 20 5 DDBDHN COC(=O)c1cnc(NC[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000572090481 421764028 /nfs/dbraw/zinc/76/40/28/421764028.db2.gz LEQJCYNAQOXHNM-SNVBAGLBSA-N 0 3 320.349 1.673 20 5 DDBDHN CCCN1CCC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000521884217 421805071 /nfs/dbraw/zinc/80/50/71/421805071.db2.gz GPNFUUKHNFTCNT-HNNXBMFYSA-N 0 3 321.377 1.964 20 5 DDBDHN CC(C)C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])N(C)C ZINC000594295006 422344418 /nfs/dbraw/zinc/34/44/18/422344418.db2.gz ITBXASOCNWFDAS-SNVBAGLBSA-N 0 3 309.370 1.278 20 5 DDBDHN C[C@@H](CN1CCCCC1)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341548208 271114827 /nfs/dbraw/zinc/11/48/27/271114827.db2.gz NBKJRDFWMWFBHI-NSHDSACASA-N 0 3 306.366 1.980 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3CCC[C@@H]3C2)n1 ZINC000285989939 274004485 /nfs/dbraw/zinc/00/44/85/274004485.db2.gz CPFDUMKQNWKDJJ-SNVBAGLBSA-N 0 3 306.322 1.061 20 5 DDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCNCC1 ZINC000178891174 274722919 /nfs/dbraw/zinc/72/29/19/274722919.db2.gz BTKKPYBMBPVHEL-UHFFFAOYSA-N 0 3 313.379 1.196 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1CCS(=O)(=O)C1)CCC2 ZINC000278354971 275037957 /nfs/dbraw/zinc/03/79/57/275037957.db2.gz ZRIGKXQSKBSKEY-NHYWBVRUSA-N 0 3 324.402 1.997 20 5 DDBDHN CC(C)(C)[C@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000236682265 275530258 /nfs/dbraw/zinc/53/02/58/275530258.db2.gz INLSKGKPXRLJJC-CQSZACIVSA-N 0 3 320.393 1.617 20 5 DDBDHN CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCNC1=O ZINC000411692357 276121995 /nfs/dbraw/zinc/12/19/95/276121995.db2.gz JZVUSVAGNACHDM-ZDUSSCGKSA-N 0 3 320.349 1.134 20 5 DDBDHN C[C@H](NC(=O)NC[C@](C)(O)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000297814665 278244461 /nfs/dbraw/zinc/24/44/61/278244461.db2.gz YXEJHAFIPDPYGS-NHYWBVRUSA-N 0 3 324.381 1.268 20 5 DDBDHN C[C@@H](NCCn1cccn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000112548135 278348939 /nfs/dbraw/zinc/34/89/39/278348939.db2.gz JNXAVZLTFCRBLY-LLVKDONJSA-N 0 3 303.322 1.408 20 5 DDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CN(C)C ZINC000354439000 298438895 /nfs/dbraw/zinc/43/88/95/298438895.db2.gz UUHBKCYQXSVESF-SNVBAGLBSA-N 0 3 322.365 1.162 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000363097356 300209998 /nfs/dbraw/zinc/20/99/98/300209998.db2.gz STQZSNUHRLPRCE-CYBMUJFWSA-N 0 3 318.377 1.999 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000420435416 301557228 /nfs/dbraw/zinc/55/72/28/301557228.db2.gz GSRNSLLHCNDJBK-NXEZZACHSA-N 0 3 301.368 1.226 20 5 DDBDHN COc1cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c([N+](=O)[O-])cc1[O-] ZINC000376196746 302049505 /nfs/dbraw/zinc/04/95/05/302049505.db2.gz OYZWCNZACRZEHG-NSHDSACASA-N 0 3 318.333 1.679 20 5 DDBDHN COc1ccc(NC(=O)[C@H](C)N2CCN[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000420340587 302383319 /nfs/dbraw/zinc/38/33/19/302383319.db2.gz SVOQWHSFZOKCJM-QWRGUYRKSA-N 0 3 322.365 1.224 20 5 DDBDHN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@H]1CN1CCCCC1 ZINC000548941726 303599599 /nfs/dbraw/zinc/59/95/99/303599599.db2.gz GHMZPOGAGKXWKT-NSHDSACASA-N 0 3 307.354 1.408 20 5 DDBDHN COc1cccc(N2CCCN([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000364976288 307055752 /nfs/dbraw/zinc/05/57/52/307055752.db2.gz DNDLKTBZEIFXGP-GFCCVEGCSA-N 0 3 309.366 1.496 20 5 DDBDHN Nc1ccc(C(=O)Nc2cnc3c(c2)CNCC3)cc1[N+](=O)[O-] ZINC000378408540 307287776 /nfs/dbraw/zinc/28/77/76/307287776.db2.gz XGENPNFRGKOMBI-UHFFFAOYSA-N 0 3 313.317 1.470 20 5 DDBDHN C[C@@H](CCCO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564500264 307998340 /nfs/dbraw/zinc/99/83/40/307998340.db2.gz ZGAPFUKTSFSKPX-NSHDSACASA-N 0 3 316.379 1.119 20 5 DDBDHN COc1ccc(CC(=O)N(C)C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000566731964 308062350 /nfs/dbraw/zinc/06/23/50/308062350.db2.gz UQKLHUILXNFELE-CYBMUJFWSA-N 0 3 321.377 1.699 20 5 DDBDHN COc1ccc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cc1[N+](=O)[O-] ZINC000567718523 308092229 /nfs/dbraw/zinc/09/22/29/308092229.db2.gz DJVZJGAIECRGOF-QWHCGFSZSA-N 0 3 319.361 1.912 20 5 DDBDHN O=C(CCN[C@H](CO)CC(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000582122764 325975049 /nfs/dbraw/zinc/97/50/49/325975049.db2.gz YXZMVHUGQQZLHZ-VIFPVBQESA-N 0 3 317.292 1.529 20 5 DDBDHN COCCN1CC[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000582795785 337169040 /nfs/dbraw/zinc/16/90/40/337169040.db2.gz AYEUKEDAFNURSV-DOMZBBRYSA-N 0 3 305.378 1.892 20 5 DDBDHN C[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]C1 ZINC000230736226 484170198 /nfs/dbraw/zinc/17/01/98/484170198.db2.gz ZHLHDLVBGVJRKT-LLVKDONJSA-N 0 3 319.770 1.279 20 5 DDBDHN C[C@H](NCCN1C(=O)N[C@H](C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000459481247 533857546 /nfs/dbraw/zinc/85/75/46/533857546.db2.gz APDKVXYWDNWQSC-VHSXEESVSA-N 0 3 306.322 1.186 20 5 DDBDHN CCO[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000451522228 528060792 /nfs/dbraw/zinc/06/07/92/528060792.db2.gz AWNKHJSKUMDDHU-JSGCOSHPSA-N 0 3 309.366 1.503 20 5 DDBDHN CC(C)c1ccc([C@@H](N)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000422798391 528134565 /nfs/dbraw/zinc/13/45/65/528134565.db2.gz QXBIFSDJYYNWKX-LBPRGKRZSA-N 0 3 317.349 1.871 20 5 DDBDHN CC1(C)CCCN(CCNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000330956730 528934096 /nfs/dbraw/zinc/93/40/96/528934096.db2.gz HTCGXLBRVDLEHQ-UHFFFAOYSA-N 0 3 309.370 1.030 20 5 DDBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@@H+]1C ZINC000820664756 599589643 /nfs/dbraw/zinc/58/96/43/599589643.db2.gz BQDHMOSQSCXTNL-UWVGGRQHSA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1C ZINC000820664756 599589645 /nfs/dbraw/zinc/58/96/45/599589645.db2.gz BQDHMOSQSCXTNL-UWVGGRQHSA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1C ZINC000820664756 599589647 /nfs/dbraw/zinc/58/96/47/599589647.db2.gz BQDHMOSQSCXTNL-UWVGGRQHSA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1C ZINC000820664756 599589649 /nfs/dbraw/zinc/58/96/49/599589649.db2.gz BQDHMOSQSCXTNL-UWVGGRQHSA-N 0 3 317.353 1.670 20 5 DDBDHN COC(=O)C[C@@H]1CCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590913 698123631 /nfs/dbraw/zinc/12/36/31/698123631.db2.gz MFRSJDQBNAWYMN-UONOGXRCSA-N 0 3 308.334 1.656 20 5 DDBDHN COC(=O)[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776590436 698123832 /nfs/dbraw/zinc/12/38/32/698123832.db2.gz DNNCWUIJMPFJST-LERXQTSPSA-N 0 3 308.334 1.369 20 5 DDBDHN C[C@H](N[C@@H](C)[C@H]1CN(C)CCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788670292 699332993 /nfs/dbraw/zinc/33/29/93/699332993.db2.gz IPOLCOBCHILGPV-ZIBATOQPSA-N 0 3 308.382 1.547 20 5 DDBDHN CN(C)c1ncccc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000808386559 701516133 /nfs/dbraw/zinc/51/61/33/701516133.db2.gz AUXKKGNPTHLJRX-HNNXBMFYSA-N 0 3 316.361 1.879 20 5 DDBDHN C[C@](CO)(NCCC1OCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000879274638 706637063 /nfs/dbraw/zinc/63/70/63/706637063.db2.gz SFWMKRJDCWKVIT-OAHLLOKOSA-N 0 3 310.350 1.545 20 5 DDBDHN Cc1ccc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1F ZINC000813109427 702295998 /nfs/dbraw/zinc/29/59/98/702295998.db2.gz SBSPEKAGZWARIU-WDEREUQCSA-N 0 3 324.308 1.695 20 5 DDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCCN1C ZINC000817492517 702391152 /nfs/dbraw/zinc/39/11/52/702391152.db2.gz XTECNXXHWMGKQT-ZDUSSCGKSA-N 0 3 320.393 1.827 20 5 DDBDHN Nc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000848350703 703541845 /nfs/dbraw/zinc/54/18/45/703541845.db2.gz SJYDPIRJNICHTI-KBPBESRZSA-N 0 3 318.377 1.924 20 5 DDBDHN Nc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000848350707 703541859 /nfs/dbraw/zinc/54/18/59/703541859.db2.gz SJYDPIRJNICHTI-UONOGXRCSA-N 0 3 318.377 1.924 20 5 DDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000848353159 703542306 /nfs/dbraw/zinc/54/23/06/703542306.db2.gz YIITWRMBONOIPY-CHWSQXEVSA-N 0 3 319.365 1.319 20 5 DDBDHN O=[N+]([O-])c1cccc(CNCC[S@@](=O)CC(F)(F)F)c1 ZINC000850349458 703726173 /nfs/dbraw/zinc/72/61/73/703726173.db2.gz FQWZYVWCTHLULS-HXUWFJFHSA-N 0 3 310.297 1.995 20 5 DDBDHN COc1ncc(C(=O)OCC(C)[N+](=O)[O-])cc1Br ZINC000821166954 704377832 /nfs/dbraw/zinc/37/78/32/704377832.db2.gz LAOPHMCRJSLKES-ZCFIWIBFSA-N 0 3 319.111 1.675 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(CCc3c[nH]nn3)CC2)cc1 ZINC000821343760 704394369 /nfs/dbraw/zinc/39/43/69/704394369.db2.gz ZTKVARFNSUOSAN-UHFFFAOYSA-N 0 3 302.338 1.078 20 5 DDBDHN [NH3+]C1(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000857765520 704622141 /nfs/dbraw/zinc/62/21/41/704622141.db2.gz BOJJRTOOTZVOFX-UHFFFAOYSA-N 0 3 315.276 1.564 20 5 DDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000874843456 705198644 /nfs/dbraw/zinc/19/86/44/705198644.db2.gz NMZLDTOULMOHFI-CABCVRRESA-N 0 3 318.377 1.702 20 5 DDBDHN CN(CCO)CCN(C)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000825526993 705687876 /nfs/dbraw/zinc/68/78/76/705687876.db2.gz KVCMCOYSMUXBHL-GJZGRUSLSA-N 0 3 321.377 1.081 20 5 DDBDHN CC(C)N1CCC[C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000829539153 706352724 /nfs/dbraw/zinc/35/27/24/706352724.db2.gz MXOCGPIHAFEPJC-HIFRSBDPSA-N 0 3 321.377 1.617 20 5 DDBDHN COc1ccc(CN(C)[C@H]2CCOC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000880425587 706970306 /nfs/dbraw/zinc/97/03/06/706970306.db2.gz GHAWSLYHBHVUPG-WFASDCNBSA-N 0 3 310.350 1.839 20 5 DDBDHN CCN(CCn1ccc([N+](=O)[O-])n1)[C@@H](CO)c1ccccc1 ZINC000880461949 706982474 /nfs/dbraw/zinc/98/24/74/706982474.db2.gz NXQWNTOQBIQXIC-AWEZNQCLSA-N 0 3 304.350 1.847 20 5 DDBDHN CN1CCC[C@H]2[C@@H]1CCN2c1nc2sccn2c1[N+](=O)[O-] ZINC000872779840 707597088 /nfs/dbraw/zinc/59/70/88/707597088.db2.gz IWZUHWKZZBEOFM-UWVGGRQHSA-N 0 3 307.379 1.977 20 5 DDBDHN O=C(NC[C@@H](c1ccco1)N1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839463511 708049382 /nfs/dbraw/zinc/04/93/82/708049382.db2.gz IOWFRQCHDKBTCD-UPJWGTAASA-N 0 3 307.350 1.588 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNC1CC(CCO)C1)OCCO2 ZINC000898007303 708518007 /nfs/dbraw/zinc/51/80/07/708518007.db2.gz AUSYJCSEXAISKT-UHFFFAOYSA-N 0 3 308.334 1.617 20 5 DDBDHN C[C@@]1(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CN2CCC1CC2 ZINC000892766639 710494829 /nfs/dbraw/zinc/49/48/29/710494829.db2.gz MFKDTCDFTVNVFA-MRXNPFEDSA-N 0 3 321.352 1.877 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000928430894 713192429 /nfs/dbraw/zinc/19/24/29/713192429.db2.gz JUQJTQLZXFDYKF-KAOXEZKKSA-N 0 3 303.362 1.907 20 5 DDBDHN COc1cc([C@@H](C)NCCNC(=O)C2CC2)cc([N+](=O)[O-])c1 ZINC000903057672 711018786 /nfs/dbraw/zinc/01/87/86/711018786.db2.gz KIAYBKLCXUMRLZ-SNVBAGLBSA-N 0 3 307.350 1.780 20 5 DDBDHN Cc1cc(C(=O)N(CCO)C2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000911935997 711076767 /nfs/dbraw/zinc/07/67/67/711076767.db2.gz AOMBXHKZIKVTRD-UHFFFAOYSA-N 0 3 321.377 1.432 20 5 DDBDHN Cc1cnc(NC[C@@H]2CCN2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000896524598 711738216 /nfs/dbraw/zinc/73/82/16/711738216.db2.gz XIJIHDNOJCLHGN-ZDUSSCGKSA-N 0 3 306.366 1.963 20 5 DDBDHN CC[C@@H](NCC[N+](=O)[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000905170609 711958370 /nfs/dbraw/zinc/95/83/70/711958370.db2.gz RBHWBQFOHKUCEV-CVEARBPZSA-N 0 3 307.394 1.532 20 5 DDBDHN CN(C)[C@H](CNC(=O)Cn1ccnc1[N+](=O)[O-])c1ccccc1 ZINC000918342119 713538063 /nfs/dbraw/zinc/53/80/63/713538063.db2.gz BCQXTDQCMZJMAQ-CYBMUJFWSA-N 0 3 317.349 1.210 20 5 DDBDHN C[C@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000932348336 714315882 /nfs/dbraw/zinc/31/58/82/714315882.db2.gz MVJBYCKZTWJVDC-GXTWGEPZSA-N 0 3 310.350 1.445 20 5 DDBDHN CC1(C)CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CCN1 ZINC000934056044 714732933 /nfs/dbraw/zinc/73/29/33/714732933.db2.gz JJWUDBKNXDJNGU-UHFFFAOYSA-N 0 3 309.341 1.877 20 5 DDBDHN CC(C)(C)OCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125957015 737932862 /nfs/dbraw/zinc/93/28/62/737932862.db2.gz RSAIIORDOPHOJK-UHFFFAOYSA-N 0 3 309.366 1.616 20 5 DDBDHN COc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)on1 ZINC001126032671 738143216 /nfs/dbraw/zinc/14/32/16/738143216.db2.gz MXMIEHOORKYUGX-UHFFFAOYSA-N 0 3 320.305 1.111 20 5 DDBDHN C[C@H](Nc1ccnc2c1cccc2[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170566445 768172734 /nfs/dbraw/zinc/17/27/34/768172734.db2.gz ANTHGHFSAJIDBD-IINYFYTJSA-N 0 3 302.334 1.932 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CN1C1CC1 ZINC001137492697 766350302 /nfs/dbraw/zinc/35/03/02/766350302.db2.gz XKJYELPGUCOFHQ-RQJHMYQMSA-N 0 3 313.745 1.326 20 5 DDBDHN CN(C)C1(C(=O)NCCN(C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001100195760 775801105 /nfs/dbraw/zinc/80/11/05/775801105.db2.gz GXLBDCBFOIECNZ-UHFFFAOYSA-N 0 3 320.393 1.632 20 5 DDBDHN CC[C@@](N)(CO)N[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173192861 777037800 /nfs/dbraw/zinc/03/78/00/777037800.db2.gz RPKAUCNWWRPPOZ-XPTSAGLGSA-N 0 3 315.345 1.320 20 5 DDBDHN CCN(CCNCc1ncc(C)s1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268450511 840212375 /nfs/dbraw/zinc/21/23/75/840212375.db2.gz WSNHADMNMFIELI-GHMZBOCLSA-N 0 3 312.395 1.055 20 5 DDBDHN CC(C)(O)CC(=O)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001273990667 851787268 /nfs/dbraw/zinc/78/72/68/851787268.db2.gz JLWWCNDPVDVWNZ-ONEGZZNKSA-N 0 3 321.377 1.518 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C[C@H]2CNCCO2)n1 ZINC001328413067 862959577 /nfs/dbraw/zinc/95/95/77/862959577.db2.gz OKULHSVCJXVPMJ-NSHDSACASA-N 0 3 318.333 1.793 20 5 DDBDHN CC(C)(O)CC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001157292269 863716291 /nfs/dbraw/zinc/71/62/91/863716291.db2.gz ZOTWGMJHRHIOMQ-UHFFFAOYSA-N 0 3 315.395 1.413 20 5 DDBDHN CCOC(=O)c1ccnc(-n2ccc([C@H](C)N)n2)c1[N+](=O)[O-] ZINC001158354865 864598709 /nfs/dbraw/zinc/59/87/09/864598709.db2.gz DGVJEAHCACKHKH-QMMMGPOBSA-N 0 3 305.294 1.372 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@H]1C ZINC001320704251 866963366 /nfs/dbraw/zinc/96/33/66/866963366.db2.gz YLMDGTYJFGHKCM-LLVKDONJSA-N 0 3 306.366 1.851 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])c(-n2nc(CN)cc2C)cc1OC ZINC001163986159 868847996 /nfs/dbraw/zinc/84/79/96/868847996.db2.gz VYPWAYWNSNEPTE-UHFFFAOYSA-N 0 3 320.305 1.343 20 5 DDBDHN COc1cncc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001336817355 869163118 /nfs/dbraw/zinc/16/31/18/869163118.db2.gz CUVQRQQRIDQCSC-OAHLLOKOSA-N 0 3 303.318 1.822 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])cnc1N(C)CCN1CCCC1 ZINC001165139406 869404335 /nfs/dbraw/zinc/40/43/35/869404335.db2.gz IGHLCMGAIYDFKA-UHFFFAOYSA-N 0 3 308.338 1.308 20 5 DDBDHN CN1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001303986542 871172939 /nfs/dbraw/zinc/17/29/39/871172939.db2.gz XJEMBVQTSPZNIW-ZDUSSCGKSA-N 0 3 307.350 1.430 20 5 DDBDHN N[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC001340659562 871264273 /nfs/dbraw/zinc/26/42/73/871264273.db2.gz HDWDBSGBOPZFHI-XJFOESAGSA-N 0 3 307.325 1.596 20 5 DDBDHN C[C@](CO)(NC[C@@H]1CCc2ncnn21)c1cccc([N+](=O)[O-])c1 ZINC001308000379 871462848 /nfs/dbraw/zinc/46/28/48/871462848.db2.gz UFLZTXFQVUARMK-DZGCQCFKSA-N 0 3 317.349 1.171 20 5 DDBDHN COCn1ncc(C)c1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC001343647193 872700349 /nfs/dbraw/zinc/70/03/49/872700349.db2.gz NTASKIOQZQSXPO-UHFFFAOYSA-N 0 3 320.349 1.872 20 5 DDBDHN CCN1CC[C@@H](O[C@H](C(=O)OC)c2ccccc2[N+](=O)[O-])C1 ZINC001223641645 881037912 /nfs/dbraw/zinc/03/79/12/881037912.db2.gz BWAWFJWQFFSOLE-RISCZKNCSA-N 0 3 308.334 1.920 20 5 DDBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc(C23CCN(CC2)CC3)n1 ZINC001248895020 893764294 /nfs/dbraw/zinc/76/42/94/893764294.db2.gz VBTVUHHACGMUCH-UHFFFAOYSA-N 0 3 319.296 1.916 20 5 DDBDHN O=C(CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)NCC(F)(F)F ZINC001254589051 896518719 /nfs/dbraw/zinc/51/87/19/896518719.db2.gz MBTTXEXIRMLNMG-JTQLQIEISA-N 0 3 317.267 1.330 20 5 DDBDHN CN(C)C[C@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254593179 896521258 /nfs/dbraw/zinc/52/12/58/896521258.db2.gz JOYLAIHKOCGSSM-HOTGVXAUSA-N 0 3 305.378 1.324 20 5 DDBDHN CO[C@H]1C[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000451501303 231112806 /nfs/dbraw/zinc/11/28/06/231112806.db2.gz OUPNUIOZHNVEDD-STQMWFEESA-N 0 3 307.350 1.936 20 5 DDBDHN C[C@@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000278770458 214388689 /nfs/dbraw/zinc/38/86/89/214388689.db2.gz XVMYURDGSUSPBS-CYBMUJFWSA-N 0 3 321.377 1.826 20 5 DDBDHN C[C@]1(O)CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000280018156 215316002 /nfs/dbraw/zinc/31/60/02/215316002.db2.gz KGJLCEAQBQMINA-CJNGLKHVSA-N 0 3 324.377 1.571 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN[C@H](CCCO)c2ccccc2)c1 ZINC000179727609 186211177 /nfs/dbraw/zinc/21/11/77/186211177.db2.gz KTVKCPNOCDVZKH-OAHLLOKOSA-N 0 3 304.350 1.895 20 5 DDBDHN CCN1CCC(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000029606173 352241334 /nfs/dbraw/zinc/24/13/34/352241334.db2.gz KMMIKUQGOFRNMQ-UHFFFAOYSA-N 0 3 309.370 1.009 20 5 DDBDHN CCN1CCC(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000029606546 352242519 /nfs/dbraw/zinc/24/25/19/352242519.db2.gz LIKUEGRKJUDROQ-UHFFFAOYSA-N 0 3 322.321 1.717 20 5 DDBDHN CCN1CCN(C[C@H](C)CNc2ncccc2[N+](=O)[O-])CC1 ZINC000060380156 352869480 /nfs/dbraw/zinc/86/94/80/352869480.db2.gz QZPMGUFITOETSL-CYBMUJFWSA-N 0 3 307.398 1.675 20 5 DDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)N(C)C ZINC000066611840 353007644 /nfs/dbraw/zinc/00/76/44/353007644.db2.gz IXIWCJUPPBEODR-VIFPVBQESA-N 0 3 309.322 1.046 20 5 DDBDHN COC(=O)c1cc(C(=O)NCCN(C)C2CC2)cc([N+](=O)[O-])c1 ZINC000067701828 353062571 /nfs/dbraw/zinc/06/25/71/353062571.db2.gz IOKCSYNTYBIFQQ-UHFFFAOYSA-N 0 3 321.333 1.205 20 5 DDBDHN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@H]1CCN(C2CC2)C1 ZINC000067703545 353063674 /nfs/dbraw/zinc/06/36/74/353063674.db2.gz LFLATDWQKVCQAT-LVDDQXARSA-N 0 3 301.346 1.961 20 5 DDBDHN CC(C)(C(=O)NC1CCN(C2CC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000102325812 353925426 /nfs/dbraw/zinc/92/54/26/353925426.db2.gz KOJWBKKSHLNDSE-UHFFFAOYSA-N 0 3 321.381 1.269 20 5 DDBDHN CCN1CCN([C@H](C)CNc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000121346430 354018382 /nfs/dbraw/zinc/01/83/82/354018382.db2.gz ZXVWCIISXXONCB-CYBMUJFWSA-N 0 3 307.398 1.736 20 5 DDBDHN CCOc1cc(N2CCN3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000405744744 354679209 /nfs/dbraw/zinc/67/92/09/354679209.db2.gz ZXKFHATWCXWXTK-QWHCGFSZSA-N 0 3 307.350 1.249 20 5 DDBDHN CN1C[C@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@H]2C1 ZINC000590010673 355040042 /nfs/dbraw/zinc/04/00/42/355040042.db2.gz OSRDJTJXTLYSJK-ABAIWWIYSA-N 0 3 319.361 1.597 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2CCc3nc[nH]c3C2)c1[N+](=O)[O-] ZINC000590379615 355079065 /nfs/dbraw/zinc/07/90/65/355079065.db2.gz XCDQDOLSGKRUKM-UHFFFAOYSA-N 0 3 304.310 1.192 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](O)[C@H]1C ZINC000590762147 355170117 /nfs/dbraw/zinc/17/01/17/355170117.db2.gz HYUMIZBGACTLRZ-ZWNOBZJWSA-N 0 3 323.349 1.387 20 5 DDBDHN CN(C[C@H]1CCCN1C)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000591464148 355317367 /nfs/dbraw/zinc/31/73/67/355317367.db2.gz AVSXBHWGDRRQFX-SNVBAGLBSA-N 0 3 317.349 1.774 20 5 DDBDHN COc1cc(OCC(=O)N2CCNCC2(C)C)ccc1[N+](=O)[O-] ZINC000591678577 355360076 /nfs/dbraw/zinc/36/00/76/355360076.db2.gz ZNZSDJBVQJPPPA-UHFFFAOYSA-N 0 3 323.349 1.193 20 5 DDBDHN COC(=O)[C@H]1CNCCCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000592433422 355582824 /nfs/dbraw/zinc/58/28/24/355582824.db2.gz FFYWAJHPCMPVDV-CQSZACIVSA-N 0 3 307.350 1.240 20 5 DDBDHN CN(CCN1CCCCC1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000593883489 356040067 /nfs/dbraw/zinc/04/00/67/356040067.db2.gz PDIFAWHYDKKTIK-UHFFFAOYSA-N 0 3 306.366 1.735 20 5 DDBDHN Cn1c(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594204725 356139168 /nfs/dbraw/zinc/13/91/68/356139168.db2.gz XSYHNFBNPQEGOI-NEPJUHHUSA-N 0 3 306.366 1.680 20 5 DDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000594613780 356266186 /nfs/dbraw/zinc/26/61/86/356266186.db2.gz UORWFRXNXYLKQP-QIDGOZRWSA-N 0 3 317.389 1.749 20 5 DDBDHN Cn1ncc(C2CCC2)c1CNCCn1cc([N+](=O)[O-])cn1 ZINC000594931820 356357917 /nfs/dbraw/zinc/35/79/17/356357917.db2.gz RWAOCFTUBRFQIJ-UHFFFAOYSA-N 0 3 304.354 1.582 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCc1nnnn1C ZINC000595014304 356372071 /nfs/dbraw/zinc/37/20/71/356372071.db2.gz NSMQDJPQKSEGME-VIFPVBQESA-N 0 3 306.326 1.020 20 5 DDBDHN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000595121484 356386054 /nfs/dbraw/zinc/38/60/54/356386054.db2.gz KMTSYIAAUBPJFG-VIFPVBQESA-N 0 3 301.368 1.098 20 5 DDBDHN C[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1CCO ZINC000595706886 356616826 /nfs/dbraw/zinc/61/68/26/356616826.db2.gz YEYWJSSLLYJQPZ-JSGCOSHPSA-N 0 3 309.366 1.239 20 5 DDBDHN C[C@]12COC[C@H]1CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000595758427 356640129 /nfs/dbraw/zinc/64/01/29/356640129.db2.gz MYBJAFYYLDLOPZ-WWGRRREGSA-N 0 3 322.361 1.303 20 5 DDBDHN COc1ccc(OCCN[C@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595786038 356652181 /nfs/dbraw/zinc/65/21/81/356652181.db2.gz YXASLTWUHCVFRH-LSDHHAIUSA-N 0 3 322.361 1.875 20 5 DDBDHN COC(=O)c1cc(NC(=O)C2(N)CCCC2)cc([N+](=O)[O-])c1 ZINC000237184665 202181145 /nfs/dbraw/zinc/18/11/45/202181145.db2.gz ITCWHTODMWIYDV-UHFFFAOYSA-N 0 3 307.306 1.591 20 5 DDBDHN CC(C)(C)N1CC[C@@H]1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000596308412 356852674 /nfs/dbraw/zinc/85/26/74/356852674.db2.gz RUHOIJJSXNYRRL-GFCCVEGCSA-N 0 3 308.382 1.954 20 5 DDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000597857376 357360484 /nfs/dbraw/zinc/36/04/84/357360484.db2.gz FRVXFSMESXVEAB-SNVBAGLBSA-N 0 3 306.366 1.780 20 5 DDBDHN CC(C)(C)N1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000597924423 357383437 /nfs/dbraw/zinc/38/34/37/357383437.db2.gz REYRUZZVKXTJLI-JTQLQIEISA-N 0 3 306.366 1.780 20 5 DDBDHN CCCN1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000598342912 357545023 /nfs/dbraw/zinc/54/50/23/357545023.db2.gz OUHWMDXRELPQTR-LBPRGKRZSA-N 0 3 307.350 1.574 20 5 DDBDHN NC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000598914066 357756908 /nfs/dbraw/zinc/75/69/08/357756908.db2.gz WUZJSTKGYYMQCA-QMMMGPOBSA-N 0 3 310.207 1.745 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1COCCN1C ZINC000599081680 357809015 /nfs/dbraw/zinc/80/90/15/357809015.db2.gz UFEMJGUYRREWOU-DGCLKSJQSA-N 0 3 309.366 1.585 20 5 DDBDHN CCOc1ccc([C@@H](C)NC[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC000600710236 358290784 /nfs/dbraw/zinc/29/07/84/358290784.db2.gz MUAJAHXTJXTOAZ-YPMHNXCESA-N 0 3 309.366 1.633 20 5 DDBDHN CCN1C[C@H](C)N(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H]1C ZINC000348109422 283372849 /nfs/dbraw/zinc/37/28/49/283372849.db2.gz VLXMWIGSXGNZTM-MNOVXSKESA-N 0 3 304.354 1.556 20 5 DDBDHN CN(C)C[C@@H](CO)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601591062 358615385 /nfs/dbraw/zinc/61/53/85/358615385.db2.gz ZDLIFMJONYVQPU-ZDUSSCGKSA-N 0 3 321.377 1.055 20 5 DDBDHN COC[C@@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCCCN1 ZINC000602441867 358979140 /nfs/dbraw/zinc/97/91/40/358979140.db2.gz ZHZRRGPRAAKEDN-OAHLLOKOSA-N 0 3 307.350 1.370 20 5 DDBDHN Cn1cc(CN2CCN(c3ccncc3)CC2)c([N+](=O)[O-])n1 ZINC000602434894 358974079 /nfs/dbraw/zinc/97/40/79/358974079.db2.gz GKNVBEXJIHMTGG-UHFFFAOYSA-N 0 3 302.338 1.046 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H](CO)c1ccccc1 ZINC000602772816 359179739 /nfs/dbraw/zinc/17/97/39/359179739.db2.gz KTPUANCEKGVTNH-CQSZACIVSA-N 0 3 304.350 1.765 20 5 DDBDHN CCN(C)C(=O)[C@@H](NCCn1c(C)ncc1[N+](=O)[O-])C(C)C ZINC000602834850 359226252 /nfs/dbraw/zinc/22/62/52/359226252.db2.gz FDVLFTWLPWIEEH-ZDUSSCGKSA-N 0 3 311.386 1.192 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(Cn2cncn2)CC1 ZINC000602810144 359206778 /nfs/dbraw/zinc/20/67/78/359206778.db2.gz DWRCQUJIFDUWOB-UHFFFAOYSA-N 0 3 319.369 1.103 20 5 DDBDHN CCOC(=O)CCN(CCn1c(C)ncc1[N+](=O)[O-])C(C)C ZINC000602873896 359257224 /nfs/dbraw/zinc/25/72/24/359257224.db2.gz TXKQMCQMMCLAIG-UHFFFAOYSA-N 0 3 312.370 1.763 20 5 DDBDHN CO[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)[C@](C)(CO)C1 ZINC000602964530 359327886 /nfs/dbraw/zinc/32/78/86/359327886.db2.gz QZKMVBBUWMCDFW-GJZGRUSLSA-N 0 3 310.350 1.445 20 5 DDBDHN C[C@](CO)(NCCCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000602965583 359328884 /nfs/dbraw/zinc/32/88/84/359328884.db2.gz IZJNYXFBFATKRW-MRXNPFEDSA-N 0 3 321.377 1.404 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997599 359345853 /nfs/dbraw/zinc/34/58/53/359345853.db2.gz NKDLRMNACFFHFG-MCIONIFRSA-N 0 3 308.382 1.725 20 5 DDBDHN CN1CCN(CC2CCN(c3cccnc3[N+](=O)[O-])CC2)CC1 ZINC000604379705 359743080 /nfs/dbraw/zinc/74/30/80/359743080.db2.gz JPLZLEIQFPXBEI-UHFFFAOYSA-N 0 3 319.409 1.454 20 5 DDBDHN COC1(CO)CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000618550820 363667578 /nfs/dbraw/zinc/66/75/78/363667578.db2.gz HDVIYERIPHTQDA-UHFFFAOYSA-N 0 3 310.350 1.447 20 5 DDBDHN O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CCN(CC2CC2)C1 ZINC000609399723 360304521 /nfs/dbraw/zinc/30/45/21/360304521.db2.gz LPUNLAYTAOWHFE-AWEZNQCLSA-N 0 3 318.377 1.878 20 5 DDBDHN CC[C@@H](CN1CCCC1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000609878513 360360677 /nfs/dbraw/zinc/36/06/77/360360677.db2.gz WUXAVDLXFJQYRZ-ZDUSSCGKSA-N 0 3 320.393 1.997 20 5 DDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(CC2CC2)C1 ZINC000610240094 360395364 /nfs/dbraw/zinc/39/53/64/360395364.db2.gz VJKUAIPGGHSDKO-CQSZACIVSA-N 0 3 303.362 1.738 20 5 DDBDHN CC[C@H](CN1CCCC1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610715969 360514579 /nfs/dbraw/zinc/51/45/79/360514579.db2.gz OOFRVNRURQWMMP-GFCCVEGCSA-N 0 3 306.366 1.980 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CCS(=O)(=O)C1 ZINC000610798380 360540021 /nfs/dbraw/zinc/54/00/21/360540021.db2.gz YNEGUSPLHCJQFX-VXGBXAGGSA-N 0 3 312.391 1.989 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](C(F)F)C2)c1 ZINC000611180227 360652179 /nfs/dbraw/zinc/65/21/79/360652179.db2.gz VGILWVDWTVSJCA-CMPLNLGQSA-N 0 3 316.304 1.922 20 5 DDBDHN NC(=O)[C@H]1CCCN1C1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000611242539 360676863 /nfs/dbraw/zinc/67/68/63/360676863.db2.gz SJOZWHXHZDQLTC-LLVKDONJSA-N 0 3 324.406 1.575 20 5 DDBDHN Cc1cc(C(=O)NCC2=CCN(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000272021038 209391825 /nfs/dbraw/zinc/39/18/25/209391825.db2.gz VFZFEAOEQBGEPW-UHFFFAOYSA-N 0 3 304.350 1.477 20 5 DDBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CC=CC2)C1 ZINC000174392653 306685670 /nfs/dbraw/zinc/68/56/70/306685670.db2.gz NKJCCSBUYDDGCX-HNNXBMFYSA-N 0 3 316.361 1.751 20 5 DDBDHN C[C@@](O)(CO)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000619464228 364023595 /nfs/dbraw/zinc/02/35/95/364023595.db2.gz BHCCZPKKPOFVSJ-HNNXBMFYSA-N 0 3 306.318 1.688 20 5 DDBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000288249809 220042422 /nfs/dbraw/zinc/04/24/22/220042422.db2.gz GASRUOKISFDXLR-RYUDHWBXSA-N 0 3 318.377 1.876 20 5 DDBDHN COCCN(CCN(C)C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266096168 205093092 /nfs/dbraw/zinc/09/30/92/205093092.db2.gz JSOJNVWOKPDBEJ-UHFFFAOYSA-N 0 3 309.366 1.174 20 5 DDBDHN COc1cc(N2CCN(C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000267356178 206005939 /nfs/dbraw/zinc/00/59/39/206005939.db2.gz HGBHLZHVZGJBTF-CYBMUJFWSA-N 0 3 321.377 1.762 20 5 DDBDHN COCCN1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000267998218 206384889 /nfs/dbraw/zinc/38/48/89/206384889.db2.gz ULCWXUVLZJZGPS-AWEZNQCLSA-N 0 3 321.377 1.364 20 5 DDBDHN COc1ccc(CNC(=O)[C@@H](N)CCSC)cc1[N+](=O)[O-] ZINC000269052132 207201484 /nfs/dbraw/zinc/20/14/84/207201484.db2.gz SGVDKMICXXKXQN-JTQLQIEISA-N 0 3 313.379 1.300 20 5 DDBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1n1ccnc1 ZINC000120202156 195118581 /nfs/dbraw/zinc/11/85/81/195118581.db2.gz XHRZIOTYENHYSJ-JSGCOSHPSA-N 0 3 304.354 1.571 20 5 DDBDHN CO[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451578802 533414691 /nfs/dbraw/zinc/41/46/91/533414691.db2.gz XRDYSKLTIYLPEE-GZBFAFLISA-N 0 3 324.377 1.691 20 5 DDBDHN COC(=O)[C@H]1CN(C)CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000413511425 533491319 /nfs/dbraw/zinc/49/13/19/533491319.db2.gz ZPPXCCZZAOLRPI-LBPRGKRZSA-N 0 3 307.350 1.444 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000330897375 533604002 /nfs/dbraw/zinc/60/40/02/533604002.db2.gz HLLLYKIXJRLJSP-NEPJUHHUSA-N 0 3 307.350 1.573 20 5 DDBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000286539035 286095271 /nfs/dbraw/zinc/09/52/71/286095271.db2.gz WJJPRDCSMMZYAM-KBPBESRZSA-N 0 3 320.393 1.988 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000569502915 304359236 /nfs/dbraw/zinc/35/92/36/304359236.db2.gz MELFLOVCSBXRAM-WHOFXGATSA-N 0 3 318.377 1.208 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000073995422 406899205 /nfs/dbraw/zinc/89/92/05/406899205.db2.gz ACIMKQBBZOCNOL-OLZOCXBDSA-N 0 3 321.381 1.185 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(Cc2cccs2)C2CC2)c1 ZINC000075597180 406935756 /nfs/dbraw/zinc/93/57/56/406935756.db2.gz VWJMOCYLQUUBMO-CYBMUJFWSA-N 0 3 322.390 1.878 20 5 DDBDHN CNC(=O)c1ccc(NCCN(C)CCCOC)c([N+](=O)[O-])c1 ZINC000078372757 407026046 /nfs/dbraw/zinc/02/60/46/407026046.db2.gz TYFVNIAAQDCIDY-UHFFFAOYSA-N 0 3 324.381 1.335 20 5 DDBDHN C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](C)C1 ZINC000046952149 407067254 /nfs/dbraw/zinc/06/72/54/407067254.db2.gz WKGPRRHWSMEWIA-NEPJUHHUSA-N 0 3 309.370 1.028 20 5 DDBDHN COc1ccc(CNCCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000122823566 407311911 /nfs/dbraw/zinc/31/19/11/407311911.db2.gz RRHACTDEWOQTGB-UHFFFAOYSA-N 0 3 309.366 1.415 20 5 DDBDHN CN(C)CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000123626063 407334744 /nfs/dbraw/zinc/33/47/44/407334744.db2.gz DYCNPCYUWQHIFP-UHFFFAOYSA-N 0 3 305.256 1.905 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)CCN(C)C ZINC000267050706 407730417 /nfs/dbraw/zinc/73/04/17/407730417.db2.gz NTCUJGYNCYBQEN-UHFFFAOYSA-N 0 3 310.354 1.306 20 5 DDBDHN CN(C)[C@@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267200094 407786327 /nfs/dbraw/zinc/78/63/27/407786327.db2.gz DUQXDFMPOOYORP-OAHLLOKOSA-N 0 3 323.418 1.691 20 5 DDBDHN CCN1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000118826162 407950692 /nfs/dbraw/zinc/95/06/92/407950692.db2.gz FDAKXGZFGYJZFM-UHFFFAOYSA-N 0 3 306.366 1.561 20 5 DDBDHN COc1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000268162941 407923537 /nfs/dbraw/zinc/92/35/37/407923537.db2.gz ILSBHFSSDNCDSJ-ZWNOBZJWSA-N 0 3 319.361 1.816 20 5 DDBDHN CNC(=O)[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154218847 407996670 /nfs/dbraw/zinc/99/66/70/407996670.db2.gz UOCAXOXNHFMONH-JSGCOSHPSA-N 0 3 307.350 1.086 20 5 DDBDHN COC[C@H](N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000136636374 408116420 /nfs/dbraw/zinc/11/64/20/408116420.db2.gz ZDQKPOXMCPOTRL-MFKMUULPSA-N 0 3 307.350 1.936 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCN(C)C(C)C ZINC000155588014 408182878 /nfs/dbraw/zinc/18/28/78/408182878.db2.gz QKPAAGLLYACPRG-UHFFFAOYSA-N 0 3 315.395 1.522 20 5 DDBDHN CSCCN(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000151155711 408266378 /nfs/dbraw/zinc/26/63/78/408266378.db2.gz VGJZMZOSDGGPAH-LBPRGKRZSA-N 0 3 300.380 1.629 20 5 DDBDHN C[NH2+]C[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000133215664 162054233 /nfs/dbraw/zinc/05/42/33/162054233.db2.gz LIUIKCAZWYPGGX-QMMMGPOBSA-N 0 3 321.786 1.382 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCN(C3CCC3)CC2)c1 ZINC000269645884 408373272 /nfs/dbraw/zinc/37/32/72/408373272.db2.gz KXRXFGRTHLNFQQ-MRXNPFEDSA-N 0 3 305.378 1.798 20 5 DDBDHN Cc1c(CC(=O)N2CCC[C@H]2CN(C)C)cccc1[N+](=O)[O-] ZINC000269658969 408381127 /nfs/dbraw/zinc/38/11/27/408381127.db2.gz FVBIENKADCZFPY-AWEZNQCLSA-N 0 3 305.378 1.998 20 5 DDBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CCCO)CC3)nc2c1 ZINC000274797946 408535195 /nfs/dbraw/zinc/53/51/95/408535195.db2.gz DPTQOSTVNDJNLS-UHFFFAOYSA-N 0 3 319.365 1.366 20 5 DDBDHN CNC(=O)CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000265679975 408743474 /nfs/dbraw/zinc/74/34/74/408743474.db2.gz ZSGRMGYKJDFKTO-UHFFFAOYSA-N 0 3 317.349 1.221 20 5 DDBDHN CN1CCN(CCCNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265505784 408674873 /nfs/dbraw/zinc/67/48/73/408674873.db2.gz JISRLFJHXDZYBD-UHFFFAOYSA-N 0 3 313.789 1.693 20 5 DDBDHN COc1ccc(NC(=O)CCN2CC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000177980367 408750389 /nfs/dbraw/zinc/75/03/89/408750389.db2.gz GQFVRRIOOBUKTL-OAHLLOKOSA-N 0 3 323.349 1.389 20 5 DDBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C1=CCN(C)CC1 ZINC000276297583 408830602 /nfs/dbraw/zinc/83/06/02/408830602.db2.gz WPCZZJZFXJHZOQ-JTQLQIEISA-N 0 3 304.350 1.557 20 5 DDBDHN COc1ccc(CNCCC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000285671388 408839308 /nfs/dbraw/zinc/83/93/08/408839308.db2.gz ZTYWJZAUTYHWMM-UHFFFAOYSA-N 0 3 310.350 1.625 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC([C@@H]3CCCO3)CC2)c1 ZINC000189162888 163086645 /nfs/dbraw/zinc/08/66/45/163086645.db2.gz VOWSWOGUPFORNH-GJZGRUSLSA-N 0 3 324.381 1.043 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)N1CCN(CC)CC1 ZINC000192496778 163224778 /nfs/dbraw/zinc/22/47/78/163224778.db2.gz BDFQCTXDGYIFAO-LBPRGKRZSA-N 0 3 324.429 1.558 20 5 DDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000277477100 408948534 /nfs/dbraw/zinc/94/85/34/408948534.db2.gz LKPPIFFVINVBSQ-VHSXEESVSA-N 0 3 311.313 1.322 20 5 DDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000286307712 408960316 /nfs/dbraw/zinc/96/03/16/408960316.db2.gz JYJKLUOAKVASTO-DGCLKSJQSA-N 0 3 318.377 1.757 20 5 DDBDHN COC[C@@]1(C(=O)OC)CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000296094282 409426640 /nfs/dbraw/zinc/42/66/40/409426640.db2.gz DEEQKEVEFOYANT-MRXNPFEDSA-N 0 3 322.361 1.649 20 5 DDBDHN CN(CCc1ccccc1[N+](=O)[O-])CCN1C(=O)CCC1=O ZINC000285449341 409449998 /nfs/dbraw/zinc/44/99/98/409449998.db2.gz YJNIOMNYZAZTML-UHFFFAOYSA-N 0 3 305.334 1.218 20 5 DDBDHN CNC(=O)c1ccc(N(C)[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000354080688 409635331 /nfs/dbraw/zinc/63/53/31/409635331.db2.gz WVVQOHZKOIOJKM-CYBMUJFWSA-N 0 3 318.377 1.627 20 5 DDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000346123379 409800521 /nfs/dbraw/zinc/80/05/21/409800521.db2.gz AULNMSJGZPKEHD-QWRGUYRKSA-N 0 3 307.354 1.027 20 5 DDBDHN C[C@H](Cn1ccnc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000343156170 410194243 /nfs/dbraw/zinc/19/42/43/410194243.db2.gz DRZFNXCHDUSMIW-SECBINFHSA-N 0 3 314.305 1.486 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)[C@H](O)C1 ZINC000351945778 410356131 /nfs/dbraw/zinc/35/61/31/410356131.db2.gz ULEJACICEDUGJC-ZWNOBZJWSA-N 0 3 323.349 1.245 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CCN(C)C1CC1 ZINC000351962455 410376104 /nfs/dbraw/zinc/37/61/04/410376104.db2.gz WYLMOBUAXRUMGH-UHFFFAOYSA-N 0 3 320.393 1.868 20 5 DDBDHN C[C@@H](N[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(=O)NCCF ZINC000337502577 410828766 /nfs/dbraw/zinc/82/87/66/410828766.db2.gz LYZYGLSHINKFSQ-RISCZKNCSA-N 0 3 323.368 1.980 20 5 DDBDHN CC[C@@H](Cn1cncn1)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353278732 410898305 /nfs/dbraw/zinc/89/83/05/410898305.db2.gz XIRZXHJSTQZFTC-LBPRGKRZSA-N 0 3 305.338 1.763 20 5 DDBDHN C[C@@H]1C[C@@H](CO)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000344133175 410978980 /nfs/dbraw/zinc/97/89/80/410978980.db2.gz PVXWHSINWAOKJG-HZSPNIEDSA-N 0 3 324.377 1.427 20 5 DDBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356464312 411042906 /nfs/dbraw/zinc/04/29/06/411042906.db2.gz JQELRXYHYOSWSK-LLVKDONJSA-N 0 3 309.370 1.323 20 5 DDBDHN COc1ccc(CNC(=O)N2C[C@@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000417199856 225242790 /nfs/dbraw/zinc/24/27/90/225242790.db2.gz ZGJWATASVFFTFV-GHMZBOCLSA-N 0 3 322.365 1.495 20 5 DDBDHN O=C1NC[C@@H]2[C@H]1CCCN2CCCOc1ccc([N+](=O)[O-])cc1 ZINC000366908553 418534770 /nfs/dbraw/zinc/53/47/70/418534770.db2.gz DKOHKXVIYFDQCA-HUUCEWRRSA-N 0 3 319.361 1.574 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000375053031 418596229 /nfs/dbraw/zinc/59/62/29/418596229.db2.gz DWUBOMYXJFZFGQ-ZFWWWQNUSA-N 0 3 303.362 1.690 20 5 DDBDHN CC1(C)[C@H](O)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000361414272 418648503 /nfs/dbraw/zinc/64/85/03/418648503.db2.gz ILSFYHKNTIMSRU-SMDDNHRTSA-N 0 3 310.350 1.180 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@H](n3cncn3)C2)cc1 ZINC000375316547 418627564 /nfs/dbraw/zinc/62/75/64/418627564.db2.gz DRSMKMMDGJHUDN-ZDUSSCGKSA-N 0 3 303.322 1.512 20 5 DDBDHN CCn1cc(CCN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000375726087 418677415 /nfs/dbraw/zinc/67/74/15/418677415.db2.gz GMYGQDAHZAFVSA-AWEZNQCLSA-N 0 3 318.381 1.887 20 5 DDBDHN C[C@@H]1OCC[C@@H]1N(CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000361583631 418686660 /nfs/dbraw/zinc/68/66/60/418686660.db2.gz LPGOJQURIIQLMF-WFASDCNBSA-N 0 3 310.350 1.445 20 5 DDBDHN Cc1nccn1CCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298122646 228367180 /nfs/dbraw/zinc/36/71/80/228367180.db2.gz PKNPJKQDPJHSAI-UHFFFAOYSA-N 0 3 316.365 1.317 20 5 DDBDHN Cc1c(CNC(=O)N2CCN[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000418082582 419519926 /nfs/dbraw/zinc/51/99/26/419519926.db2.gz QQILTMJZPHTKSP-NEPJUHHUSA-N 0 3 306.366 1.795 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000299293157 229033085 /nfs/dbraw/zinc/03/30/85/229033085.db2.gz KVLSOTTXTCJKNJ-NEPJUHHUSA-N 0 3 323.397 1.336 20 5 DDBDHN CCc1ccccc1[C@@H](N)CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000423939041 420276697 /nfs/dbraw/zinc/27/66/97/420276697.db2.gz LIWPDFZNYCPDDO-NSHDSACASA-N 0 3 303.322 1.310 20 5 DDBDHN N[C@@H]1Cc2ccccc2N(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000424080587 420310725 /nfs/dbraw/zinc/31/07/25/420310725.db2.gz ULNCIKNPHGKYLK-GFCCVEGCSA-N 0 3 315.333 1.098 20 5 DDBDHN Cc1cc(S(=O)(=O)NC[C@H]2CCN(C)C2)ccc1[N+](=O)[O-] ZINC000416496927 420395585 /nfs/dbraw/zinc/39/55/85/420395585.db2.gz RJGVDSLQRXMUDW-LLVKDONJSA-N 0 3 313.379 1.133 20 5 DDBDHN CC(C)N1CC[C@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000457092333 420609279 /nfs/dbraw/zinc/60/92/79/420609279.db2.gz XIGCBLCKNDSHMI-ZDUSSCGKSA-N 0 3 321.377 1.915 20 5 DDBDHN CCN(CCO)CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492626801 420610499 /nfs/dbraw/zinc/61/04/99/420610499.db2.gz ZPGWGILPUQLABY-FPLPWBNLSA-N 0 3 307.350 1.038 20 5 DDBDHN CCOC[C@@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000459706767 420852699 /nfs/dbraw/zinc/85/26/99/420852699.db2.gz JEAHJLPCSPMOSU-JSGCOSHPSA-N 0 3 312.370 1.043 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000493524282 420872917 /nfs/dbraw/zinc/87/29/17/420872917.db2.gz OYGBROONABWOPQ-MOEUOMFESA-N 0 3 319.336 1.910 20 5 DDBDHN C[C@H](CN(C)CCn1ccc([N+](=O)[O-])n1)C(=O)OC(C)(C)C ZINC000459810178 420879954 /nfs/dbraw/zinc/87/99/54/420879954.db2.gz PZORAKJDBIUKFV-LLVKDONJSA-N 0 3 312.370 1.701 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000454570944 420884869 /nfs/dbraw/zinc/88/48/69/420884869.db2.gz DYKDRLVYYJBRJR-HIFRSBDPSA-N 0 3 318.377 1.483 20 5 DDBDHN COCCN1CCC[C@@H]1CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000450305626 421179577 /nfs/dbraw/zinc/17/95/77/421179577.db2.gz AXQOTBOCMYUPKD-GFCCVEGCSA-N 0 3 319.365 1.416 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1cccnc1 ZINC000560260920 421240572 /nfs/dbraw/zinc/24/05/72/421240572.db2.gz DOJKIWYLADNETM-CYBMUJFWSA-N 0 3 303.318 1.519 20 5 DDBDHN CCCN(CCN1CCN(CC)CC1)c1ccc([N+](=O)[O-])nc1 ZINC000450530074 421206931 /nfs/dbraw/zinc/20/69/31/421206931.db2.gz BWEBKNDIIPZFGR-UHFFFAOYSA-N 0 3 321.425 1.844 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCN(CC2CCC2)CC1 ZINC000560452886 421266850 /nfs/dbraw/zinc/26/68/50/421266850.db2.gz NCDPRYZFZFRTIE-UHFFFAOYSA-N 0 3 318.377 1.938 20 5 DDBDHN CN(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000589101731 422316754 /nfs/dbraw/zinc/31/67/54/422316754.db2.gz JBUIFNTVZQZLKV-ZDUSSCGKSA-N 0 3 316.361 1.991 20 5 DDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000323185158 271030113 /nfs/dbraw/zinc/03/01/13/271030113.db2.gz AXUAVHNOPDCALK-NSHDSACASA-N 0 3 319.365 1.272 20 5 DDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC(=O)N1CCOCC1 ZINC000344833982 272126385 /nfs/dbraw/zinc/12/63/85/272126385.db2.gz PHUPBKQQEGGKBA-LCYFTJDESA-N 0 3 319.361 1.447 20 5 DDBDHN CN(C)[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1O ZINC000413309129 273819608 /nfs/dbraw/zinc/81/96/08/273819608.db2.gz KYUDNMSPGRMQKW-UWVGGRQHSA-N 0 3 320.271 1.120 20 5 DDBDHN CCCN1CCCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000302791605 276006127 /nfs/dbraw/zinc/00/61/27/276006127.db2.gz YVKRSYVHGKEBJY-UHFFFAOYSA-N 0 3 322.365 1.699 20 5 DDBDHN Cc1cc(N[C@H]2CC[S@](=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000340777948 280301266 /nfs/dbraw/zinc/30/12/66/280301266.db2.gz MKYCEQMBTZXCKQ-CWKPULSASA-N 0 3 305.359 1.806 20 5 DDBDHN C[NH2+]C[C@H](C)C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000124104929 281183945 /nfs/dbraw/zinc/18/39/45/281183945.db2.gz KALSYIVHGRIOSJ-JTQLQIEISA-N 0 3 301.368 1.037 20 5 DDBDHN CN1CC[C@@]2(CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)C1 ZINC000294031677 290187310 /nfs/dbraw/zinc/18/73/10/290187310.db2.gz ZWHBSYHXYCVVBH-OAHLLOKOSA-N 0 3 304.350 1.345 20 5 DDBDHN CC(C)[C@H](CO)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000362192058 300025770 /nfs/dbraw/zinc/02/57/70/300025770.db2.gz SPSORBXCQDOGTN-ZDUSSCGKSA-N 0 3 307.350 1.090 20 5 DDBDHN Cc1cc([C@@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000363171561 300226003 /nfs/dbraw/zinc/22/60/03/300226003.db2.gz ZSEVUGJGSZWQSE-GFCCVEGCSA-N 0 3 304.354 1.702 20 5 DDBDHN Cc1cc([C@@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)[nH]n1 ZINC000363171561 300226005 /nfs/dbraw/zinc/22/60/05/300226005.db2.gz ZSEVUGJGSZWQSE-GFCCVEGCSA-N 0 3 304.354 1.702 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000368349415 301008188 /nfs/dbraw/zinc/00/81/88/301008188.db2.gz RPMWBJHMAZTQPZ-HNNXBMFYSA-N 0 3 304.350 1.466 20 5 DDBDHN CN1CCC(C(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000368410322 301021891 /nfs/dbraw/zinc/02/18/91/301021891.db2.gz BBWRPWMVTCECQF-CYBMUJFWSA-N 0 3 321.381 1.297 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000368587547 301058678 /nfs/dbraw/zinc/05/86/78/301058678.db2.gz DACMUPGTYLDVJN-MWLCHTKSSA-N 0 3 307.354 1.047 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000368587547 301058679 /nfs/dbraw/zinc/05/86/79/301058679.db2.gz DACMUPGTYLDVJN-MWLCHTKSSA-N 0 3 307.354 1.047 20 5 DDBDHN Nc1ccc(N2CCC(CN3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000370593978 301370155 /nfs/dbraw/zinc/37/01/55/301370155.db2.gz QIJPMSHXCKPDMO-UHFFFAOYSA-N 0 3 320.393 1.726 20 5 DDBDHN COc1ccc(NC(=O)[C@H](C)N2CCN[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000420340586 302383382 /nfs/dbraw/zinc/38/33/82/302383382.db2.gz SVOQWHSFZOKCJM-MNOVXSKESA-N 0 3 322.365 1.224 20 5 DDBDHN Cn1cncc1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000518520656 302827033 /nfs/dbraw/zinc/82/70/33/302827033.db2.gz ZEDKOUFBLJYAAK-UHFFFAOYSA-N 0 3 303.322 1.447 20 5 DDBDHN COC[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000541593391 303424170 /nfs/dbraw/zinc/42/41/70/303424170.db2.gz GZQYUWDLZMESCL-CQSZACIVSA-N 0 3 321.377 1.745 20 5 DDBDHN Cc1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000364060015 307040826 /nfs/dbraw/zinc/04/08/26/307040826.db2.gz JYAQKKUFFJESKE-UONOGXRCSA-N 0 3 319.361 1.496 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](Cc3ccncc3)C2)n1 ZINC000368632496 307106746 /nfs/dbraw/zinc/10/67/46/307106746.db2.gz NHEJXEFCZAXYGV-AWEZNQCLSA-N 0 3 301.350 1.751 20 5 DDBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@]1(F)CCNC1 ZINC000376789805 307256659 /nfs/dbraw/zinc/25/66/59/307256659.db2.gz MQGGLDNXFUIKLW-ZDUSSCGKSA-N 0 3 315.732 1.908 20 5 DDBDHN CSC[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000578499756 308465953 /nfs/dbraw/zinc/46/59/53/308465953.db2.gz YXYSPUWNPBWRPB-SNVBAGLBSA-N 0 3 318.420 1.710 20 5 DDBDHN O=C(CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)NCC1CC1 ZINC000580991459 308645670 /nfs/dbraw/zinc/64/56/70/308645670.db2.gz GWYONRVRHDTWNW-OLZOCXBDSA-N 0 3 321.381 1.391 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F ZINC000383288876 325748981 /nfs/dbraw/zinc/74/89/81/325748981.db2.gz LCABASXLHUUBBJ-VIFPVBQESA-N 0 3 323.321 1.164 20 5 DDBDHN CC1(C)CCN(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000584300310 332230171 /nfs/dbraw/zinc/23/01/71/332230171.db2.gz NMOZXNXUBJFUFD-UHFFFAOYSA-N 0 3 305.378 1.985 20 5 DDBDHN O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CSCCN3)c21 ZINC000603420237 483934090 /nfs/dbraw/zinc/93/40/90/483934090.db2.gz QZZYZDLNBNWZQZ-SECBINFHSA-N 0 3 305.363 1.655 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@]2(C)CC[NH2+]C2)cc1C ZINC000230734950 484169436 /nfs/dbraw/zinc/16/94/36/484169436.db2.gz WRWKFFOGGJFIKN-CYBMUJFWSA-N 0 3 313.379 1.242 20 5 DDBDHN C[C@@H]1[C@@H](CO)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000488736787 484217342 /nfs/dbraw/zinc/21/73/42/484217342.db2.gz QYWDMGOFQQFENW-UPJWGTAASA-N 0 3 310.350 1.037 20 5 DDBDHN C[C@H](NCCN1C(=O)N[C@H](C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000459399594 533857742 /nfs/dbraw/zinc/85/77/42/533857742.db2.gz VNELZJINRDDBPP-VHSXEESVSA-N 0 3 306.322 1.186 20 5 DDBDHN CC(C)(C)[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000298757314 526708467 /nfs/dbraw/zinc/70/84/67/526708467.db2.gz WXWSKIUBXGSMPG-CYBMUJFWSA-N 0 3 322.365 1.413 20 5 DDBDHN CCOC(=O)[C@H]1NCC[C@@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000422747685 528088918 /nfs/dbraw/zinc/08/89/18/528088918.db2.gz ZJJNHARPLCVGQU-KBPBESRZSA-N 0 3 307.350 1.021 20 5 DDBDHN CC[NH+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736533758 598498864 /nfs/dbraw/zinc/49/88/64/598498864.db2.gz KMBKYTWNCNGPNP-SECBINFHSA-N 0 3 320.357 1.312 20 5 DDBDHN CC[NH+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736533758 598498866 /nfs/dbraw/zinc/49/88/66/598498866.db2.gz KMBKYTWNCNGPNP-SECBINFHSA-N 0 3 320.357 1.312 20 5 DDBDHN O=[N+]([O-])c1ccc2cnn(CN3CC[C@@H](N4CC=CC4)C3)c2c1 ZINC000172930852 697373044 /nfs/dbraw/zinc/37/30/44/697373044.db2.gz MXYJMDFIMYXSQG-OAHLLOKOSA-N 0 3 313.361 1.848 20 5 DDBDHN COc1cc(C(=O)NCCN2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000783918779 698892768 /nfs/dbraw/zinc/89/27/68/698892768.db2.gz LVVCVCXTKRQZSF-NSHDSACASA-N 0 3 307.350 1.818 20 5 DDBDHN CN1CC[C@@](O)(CNc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000762816614 700908322 /nfs/dbraw/zinc/90/83/22/700908322.db2.gz RUNVJAVKSHJRHW-CYBMUJFWSA-N 0 3 308.363 1.683 20 5 DDBDHN CC(COC(=O)c1nc(N2CCCC2)ncc1Cl)[N+](=O)[O-] ZINC000813103358 702290867 /nfs/dbraw/zinc/29/08/67/702290867.db2.gz PCSRDQGHGOUFSZ-QMMMGPOBSA-N 0 3 314.729 1.552 20 5 DDBDHN CC(COC(=O)Cc1csc(N2CCCC2=O)n1)[N+](=O)[O-] ZINC000813104164 702291962 /nfs/dbraw/zinc/29/19/62/702291962.db2.gz XGZXENPVFMFKOY-QMMMGPOBSA-N 0 3 313.335 1.021 20 5 DDBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C)[N+](=O)[O-] ZINC000813106836 702293975 /nfs/dbraw/zinc/29/39/75/702293975.db2.gz INGHCNMBPOYRFN-MNOVXSKESA-N 0 3 300.355 1.622 20 5 DDBDHN CC(COC(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[N+](=O)[O-] ZINC000813113810 702297909 /nfs/dbraw/zinc/29/79/09/702297909.db2.gz JIMQYEZOLOEAOS-ZJUUUORDSA-N 0 3 315.347 1.402 20 5 DDBDHN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112278 702298379 /nfs/dbraw/zinc/29/83/79/702298379.db2.gz OWMOPJZQMMQFKO-UJQHZETGSA-N 0 3 316.379 1.453 20 5 DDBDHN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)OCC(C)[N+](=O)[O-])C2=O ZINC000813112685 702298476 /nfs/dbraw/zinc/29/84/76/702298476.db2.gz SWVOWGQVEAKNOX-NXEZZACHSA-N 0 3 320.301 1.188 20 5 DDBDHN CC(C)(C)N1C[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000819126073 704073083 /nfs/dbraw/zinc/07/30/83/704073083.db2.gz IAQNRBCJLKSHPQ-OCCSQVGLSA-N 0 3 321.377 1.617 20 5 DDBDHN CS(=O)(=O)CCNCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000819212202 704087523 /nfs/dbraw/zinc/08/75/23/704087523.db2.gz JROIAJCDQLPSOL-UHFFFAOYSA-N 0 3 306.771 1.425 20 5 DDBDHN N[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1F ZINC000852870059 704155252 /nfs/dbraw/zinc/15/52/52/704155252.db2.gz OUTPSIRLESPLAO-GHMZBOCLSA-N 0 3 301.705 1.760 20 5 DDBDHN CN1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)[C@@H]2C1 ZINC000819719204 704164442 /nfs/dbraw/zinc/16/44/42/704164442.db2.gz PCGPZBZOUGTDOW-LKFCYVNXSA-N 0 3 322.340 1.482 20 5 DDBDHN CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000855489990 704487578 /nfs/dbraw/zinc/48/75/78/704487578.db2.gz FGRNCESYXZIEMV-GFCCVEGCSA-N 0 3 306.366 1.733 20 5 DDBDHN CC(C)[C@@H]([NH3+])C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765575 704622235 /nfs/dbraw/zinc/62/22/35/704622235.db2.gz RHNSQPFYIKSOHH-NSHDSACASA-N 0 3 317.292 1.666 20 5 DDBDHN COc1ccc(CN2CC[C@H]2CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000862753810 705790848 /nfs/dbraw/zinc/79/08/48/705790848.db2.gz IDSVNRQAAKELLA-NWANDNLSSA-N 0 3 319.361 1.051 20 5 DDBDHN C/C(=C/C(=O)NCCN1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000863319834 705900181 /nfs/dbraw/zinc/90/01/81/705900181.db2.gz PIANAICXVPDSEJ-KUGGDMIFSA-N 0 3 319.361 1.181 20 5 DDBDHN CCC1(N2CCOCC2)CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000863327279 705903040 /nfs/dbraw/zinc/90/30/40/705903040.db2.gz BGKKVRPKUULTQP-UHFFFAOYSA-N 0 3 323.397 1.326 20 5 DDBDHN CC(COC(=O)c1ccn(CCc2ccccc2)n1)[N+](=O)[O-] ZINC000835457741 707256151 /nfs/dbraw/zinc/25/61/51/707256151.db2.gz ZZKURPHMEHFWIK-LBPRGKRZSA-N 0 3 303.318 1.948 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@]2(CNC(=O)C2)C1 ZINC000877485244 706120345 /nfs/dbraw/zinc/12/03/45/706120345.db2.gz NNQOUNWGBJULCG-INIZCTEOSA-N 0 3 303.362 1.924 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(n2cccn2)CC1 ZINC000878090159 706289738 /nfs/dbraw/zinc/28/97/38/706289738.db2.gz SEFJFQYMTXODFP-UHFFFAOYSA-N 0 3 304.354 1.633 20 5 DDBDHN COc1cccc(-n2cc(C(=O)OCC(C)[N+](=O)[O-])nn2)c1 ZINC000835453643 707255295 /nfs/dbraw/zinc/25/52/95/707255295.db2.gz FFNDGAOFTGFIFT-VIFPVBQESA-N 0 3 306.278 1.098 20 5 DDBDHN COc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000897219484 708257490 /nfs/dbraw/zinc/25/74/90/708257490.db2.gz LDJGUJPJMUMFSS-OLZOCXBDSA-N 0 3 321.377 1.639 20 5 DDBDHN O=[N+]([O-])c1ncccc1CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000885953833 708670492 /nfs/dbraw/zinc/67/04/92/708670492.db2.gz GXGJSLYWTGMXSY-OAHLLOKOSA-N 0 3 320.393 1.677 20 5 DDBDHN CN(CCO)CCN(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000912611533 713049682 /nfs/dbraw/zinc/04/96/82/713049682.db2.gz DZSGBZSKQYYLJD-UHFFFAOYSA-N 0 3 315.757 1.244 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCN1C ZINC000928438670 713196023 /nfs/dbraw/zinc/19/60/23/713196023.db2.gz GVYAKOOSOLDLNT-ZWNOBZJWSA-N 0 3 314.345 1.965 20 5 DDBDHN C[C@H]1[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCN1C ZINC000928444035 713198496 /nfs/dbraw/zinc/19/84/96/713198496.db2.gz IJXRACWCVXEBRK-JOYOIKCWSA-N 0 3 311.313 1.322 20 5 DDBDHN COc1cc([C@H](C)NC[C@@H](O)[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000903206246 711064013 /nfs/dbraw/zinc/06/40/13/711064013.db2.gz PVTFKWKFYWEOQV-VQISRLSMSA-N 0 3 310.350 1.794 20 5 DDBDHN COc1ccc(NC(=O)N[C@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000930770390 713916134 /nfs/dbraw/zinc/91/61/34/713916134.db2.gz WOJZUFSSDSCPJA-ONGXEEELSA-N 0 3 308.338 1.818 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000930877567 713947928 /nfs/dbraw/zinc/94/79/28/713947928.db2.gz VOARABLXKHBRDW-NSHDSACASA-N 0 3 307.354 1.278 20 5 DDBDHN O=[N+]([O-])c1ncccc1CN1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934275912 714784196 /nfs/dbraw/zinc/78/41/96/714784196.db2.gz RXEXAESRAXJRFJ-KBPBESRZSA-N 0 3 306.366 1.021 20 5 DDBDHN Cc1cc[nH]c1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126514470 740529711 /nfs/dbraw/zinc/52/97/11/740529711.db2.gz SGWAKBRNHDJLDH-UHFFFAOYSA-N 0 3 302.334 1.751 20 5 DDBDHN C[C@H](Cc1cnccn1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001181264840 743130696 /nfs/dbraw/zinc/13/06/96/743130696.db2.gz AQDRQWDUECOUPJ-SNVBAGLBSA-N 0 3 312.333 1.982 20 5 DDBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc(CC[C@@H]2COCCN2)n1 ZINC001212189461 744340358 /nfs/dbraw/zinc/34/03/58/744340358.db2.gz FYPDXTHRAULGOZ-SECBINFHSA-N 0 3 323.284 1.100 20 5 DDBDHN CN1CCN(C(=N)Nc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC001168736606 748466422 /nfs/dbraw/zinc/46/64/22/748466422.db2.gz JGQURGRLNURZMX-UHFFFAOYSA-N 0 3 314.349 1.737 20 5 DDBDHN O=C(CN1CCCC1)NC/C=C\CNc1ccccc1[N+](=O)[O-] ZINC001107199778 749569508 /nfs/dbraw/zinc/56/95/08/749569508.db2.gz GAAYYSFDWNDYSD-ARJAWSKDSA-N 0 3 318.377 1.775 20 5 DDBDHN CCN(CC)CC(=O)NCCN(C)c1ncc(C)cc1[N+](=O)[O-] ZINC001100125849 762024230 /nfs/dbraw/zinc/02/42/30/762024230.db2.gz QKPIYYCKUJMGCJ-UHFFFAOYSA-N 0 3 323.397 1.192 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)o1 ZINC001212570834 754013333 /nfs/dbraw/zinc/01/33/33/754013333.db2.gz GYFGBGZWFUJFIN-UHFFFAOYSA-N 0 3 313.273 1.946 20 5 DDBDHN CSc1nc(Cl)nc(N2CC(C)(N(C)C)C2)c1[N+](=O)[O-] ZINC001165118202 756878076 /nfs/dbraw/zinc/87/80/76/756878076.db2.gz QBHYMMAOOPINGO-UHFFFAOYSA-N 0 3 317.802 1.900 20 5 DDBDHN COc1cc2ncnc(-n3nccc3CN)c2cc1[N+](=O)[O-] ZINC001155125004 760654979 /nfs/dbraw/zinc/65/49/79/760654979.db2.gz IUCBTYRXSSEMFB-UHFFFAOYSA-N 0 3 300.278 1.191 20 5 DDBDHN COc1ccc(C[C@H](C)NCC(=O)NC2CCC2)c([N+](=O)[O-])c1 ZINC001170318169 766248440 /nfs/dbraw/zinc/24/84/40/766248440.db2.gz NPRZSZUUZLNFNY-NSHDSACASA-N 0 3 321.377 1.793 20 5 DDBDHN Cc1cnn(C)c1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001132548197 768973416 /nfs/dbraw/zinc/97/34/16/768973416.db2.gz GFRBLGRNYWEAEL-UHFFFAOYSA-N 0 3 317.349 1.156 20 5 DDBDHN CC1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001135357095 771460956 /nfs/dbraw/zinc/46/09/56/771460956.db2.gz SVBFVGAXGJBMJB-UHFFFAOYSA-N 0 3 321.377 1.617 20 5 DDBDHN O=C(Cc1ccco1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001135587124 771589702 /nfs/dbraw/zinc/58/97/02/771589702.db2.gz MOPOPCPBBUMYGB-UHFFFAOYSA-N 0 3 303.318 1.636 20 5 DDBDHN Cc1ccnc(NCCNC(=O)CN(C)C(C)C)c1[N+](=O)[O-] ZINC001093674044 774988324 /nfs/dbraw/zinc/98/83/24/774988324.db2.gz LKVPFTLVMBPCAG-UHFFFAOYSA-N 0 3 309.370 1.167 20 5 DDBDHN CC1(C)CCN(CC(=O)NCCNc2ccc([N+](=O)[O-])cn2)C1 ZINC001094140687 775474835 /nfs/dbraw/zinc/47/48/35/775474835.db2.gz RMXHMYOJUQNSFB-UHFFFAOYSA-N 0 3 321.381 1.250 20 5 DDBDHN CN(C)C1(C(=O)NCCN(C)c2ccccc2[N+](=O)[O-])CCC1 ZINC001100195913 775801012 /nfs/dbraw/zinc/80/10/12/775801012.db2.gz OAQYPXYCTBZJJQ-UHFFFAOYSA-N 0 3 320.393 1.632 20 5 DDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(CCCO)CC1 ZINC001173221941 777055000 /nfs/dbraw/zinc/05/50/00/777055000.db2.gz NOYHUXCRNYOVNZ-CQSZACIVSA-N 0 3 307.394 1.526 20 5 DDBDHN O=C(NC/C=C/CNCc1ccncc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC001268540552 840417395 /nfs/dbraw/zinc/41/73/95/840417395.db2.gz DRJMVBTUZBBRAL-BUQROOPJSA-N 0 3 324.768 1.162 20 5 DDBDHN N[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001328521629 863030792 /nfs/dbraw/zinc/03/07/92/863030792.db2.gz DKZYNBAOCKFUEV-OAHLLOKOSA-N 0 3 321.377 1.997 20 5 DDBDHN O=C([O-])CN1CCC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC001329775806 863847333 /nfs/dbraw/zinc/84/73/33/863847333.db2.gz VSZUWAGLEJGANQ-HYXAFXHYSA-N 0 3 319.361 1.747 20 5 DDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001154022539 864328022 /nfs/dbraw/zinc/32/80/22/864328022.db2.gz LBJNKABUFLTMNJ-JGVFFNPUSA-N 0 3 313.745 1.280 20 5 DDBDHN CC(C)=CC(=O)N[C@H]1C[C@H](CNCc2c([N+](=O)[O-])ncn2C)C1 ZINC001330557006 864450812 /nfs/dbraw/zinc/45/08/12/864450812.db2.gz ONCOZAADMPPIQL-HAQNSBGRSA-N 0 3 321.381 1.279 20 5 DDBDHN C[C@H](N)c1nc2ccccc2n1-c1cc([N+](=O)[O-])c2nncn2c1 ZINC001162777016 867813137 /nfs/dbraw/zinc/81/31/37/867813137.db2.gz IWFUFDQQKBCGNI-VIFPVBQESA-N 0 3 323.316 1.996 20 5 DDBDHN O=[N+]([O-])c1c(F)cc(F)cc1NCc1nnn2c1CNCCC2 ZINC001162972567 867962928 /nfs/dbraw/zinc/96/29/28/867962928.db2.gz YDRJUZIRYCDKGV-UHFFFAOYSA-N 0 3 324.291 1.570 20 5 DDBDHN O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CN2CCC1CC2 ZINC001336628741 869057519 /nfs/dbraw/zinc/05/75/19/869057519.db2.gz OECFSBDXOZROAL-CYBMUJFWSA-N 0 3 304.350 1.217 20 5 DDBDHN O=c1[nH][nH]cc1CCCNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001164381960 869170881 /nfs/dbraw/zinc/17/08/81/869170881.db2.gz IQQOSMHTHOEANO-SECBINFHSA-N 0 3 303.322 1.122 20 5 DDBDHN Cc1cc(Cl)nc(N2CC[C@@H]3NCCO[C@H]3C2)c1[N+](=O)[O-] ZINC001165269297 869479794 /nfs/dbraw/zinc/47/97/94/869479794.db2.gz IEUJIEMSBPQJQH-UWVGGRQHSA-N 0 3 312.757 1.519 20 5 DDBDHN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1scnc1C ZINC001317479555 870894054 /nfs/dbraw/zinc/89/40/54/870894054.db2.gz IGDYXCGQKVBBDA-GHMZBOCLSA-N 0 3 312.395 1.055 20 5 DDBDHN O=C(c1csc([N+](=O)[O-])c1)N1CCC2(CC1)CNCCO2 ZINC001342823155 872402798 /nfs/dbraw/zinc/40/27/98/872402798.db2.gz LWKWJMDQMGHPPF-UHFFFAOYSA-N 0 3 311.363 1.251 20 5 DDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(OCC(N)=O)CC1 ZINC001319045633 872411930 /nfs/dbraw/zinc/41/19/30/872411930.db2.gz YZSHSDJTKAVXFC-NSHDSACASA-N 0 3 307.350 1.622 20 5 DDBDHN C[C@H]1CC[C@@H](Oc2[n-]c(=O)nc3cc([N+](=O)[O-])ccc32)C[NH2+]1 ZINC001218396897 877474624 /nfs/dbraw/zinc/47/46/24/877474624.db2.gz DSECNVJWXJWBTF-WCBMZHEXSA-N 0 3 304.306 1.763 20 5 DDBDHN C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncc([N+](=O)[O-])c3nc[n-]c31)C2 ZINC001227692959 883135267 /nfs/dbraw/zinc/13/52/67/883135267.db2.gz HLHDHJXAVAEUKP-MYJAWHEDSA-N 0 3 303.322 1.870 20 5 DDBDHN C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncc([N+](=O)[O-])c3nc[n-]c31)C2 ZINC001227692959 883135273 /nfs/dbraw/zinc/13/52/73/883135273.db2.gz HLHDHJXAVAEUKP-MYJAWHEDSA-N 0 3 303.322 1.870 20 5 DDBDHN CCN1C[C@@H](C)N(c2nnc(C[N+](=O)[O-])n2CC2CC2)C[C@H]1C ZINC001263676064 900667620 /nfs/dbraw/zinc/66/76/20/900667620.db2.gz FYMXXAPGPJEQQC-VXGBXAGGSA-N 0 3 322.413 1.384 20 5 DDBDHN CC(C)COC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090518953 185300018 /nfs/dbraw/zinc/30/00/18/185300018.db2.gz FANAMJRRQMLZTE-UHFFFAOYSA-N 0 3 323.393 1.894 20 5 DDBDHN CN(CCc1cccs1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550982 185302391 /nfs/dbraw/zinc/30/23/91/185302391.db2.gz KHQMWRROOJTPNL-UHFFFAOYSA-N 0 3 307.375 1.993 20 5 DDBDHN CS[C@H]1CCCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090564468 185303989 /nfs/dbraw/zinc/30/39/89/185303989.db2.gz AUBHMNFJFBKWOJ-ZDUSSCGKSA-N 0 3 311.407 1.974 20 5 DDBDHN CNC(=O)CC[C@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000286603600 219077048 /nfs/dbraw/zinc/07/70/48/219077048.db2.gz WSOYJRHYSVGXPD-GFCCVEGCSA-N 0 3 309.370 1.172 20 5 DDBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCN(C(=O)CN)C1 ZINC000414682577 530004690 /nfs/dbraw/zinc/00/46/90/530004690.db2.gz YNOGZWIPWYDWBW-CYBMUJFWSA-N 0 3 320.393 1.224 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)CN1C ZINC000330860127 232119274 /nfs/dbraw/zinc/11/92/74/232119274.db2.gz VWMOXXFDSLBUBO-MGPQQGTHSA-N 0 3 323.393 1.359 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000330909831 232155182 /nfs/dbraw/zinc/15/51/82/232155182.db2.gz PCAOEXHMXVKKFG-JQWIXIFHSA-N 0 3 309.370 1.089 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000358391865 299140423 /nfs/dbraw/zinc/14/04/23/299140423.db2.gz ITIQALUXLALPCD-PWSUYJOCSA-N 0 3 309.341 1.875 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)CN(C)C ZINC000459543062 233297942 /nfs/dbraw/zinc/29/79/42/233297942.db2.gz BKQAYUJHYDKSOA-UHFFFAOYSA-N 0 3 308.382 1.772 20 5 DDBDHN Cc1ncsc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564844694 304018847 /nfs/dbraw/zinc/01/88/47/304018847.db2.gz OSAPGBDTNPQUAL-GFCCVEGCSA-N 0 3 323.374 1.889 20 5 DDBDHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000032073244 352275123 /nfs/dbraw/zinc/27/51/23/352275123.db2.gz MFQLHKPYKNGJNZ-NSHDSACASA-N 0 3 315.395 1.603 20 5 DDBDHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000032073278 352275138 /nfs/dbraw/zinc/27/51/38/352275138.db2.gz DGUOEQAAYMIKNL-NSHDSACASA-N 0 3 315.395 1.603 20 5 DDBDHN CCN1CCC(N(C)C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000043065857 352359309 /nfs/dbraw/zinc/35/93/09/352359309.db2.gz WBNHUUILNIXRHH-UHFFFAOYSA-N 0 3 321.377 1.916 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCCC1 ZINC000046408672 352451697 /nfs/dbraw/zinc/45/16/97/352451697.db2.gz DTFJYIDVPMWLSF-LLVKDONJSA-N 0 3 307.350 1.818 20 5 DDBDHN C[C@@H]1CCCCN1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000046858786 352465454 /nfs/dbraw/zinc/46/54/54/352465454.db2.gz YZUAWMVPFIWOMA-CYBMUJFWSA-N 0 3 321.377 1.964 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN1CCC[C@H](C)C1 ZINC000068575518 353121356 /nfs/dbraw/zinc/12/13/56/353121356.db2.gz LBKDMAXGXIILGW-LBPRGKRZSA-N 0 3 323.397 1.338 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C)[C@H](O)C1 ZINC000093343811 353897864 /nfs/dbraw/zinc/89/78/64/353897864.db2.gz KLMZZELQQXHDAC-IUODEOHRSA-N 0 3 321.377 1.935 20 5 DDBDHN CCN1CCN([C@@H](C)CNc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000121346299 354018246 /nfs/dbraw/zinc/01/82/46/354018246.db2.gz ZXVWCIISXXONCB-ZDUSSCGKSA-N 0 3 307.398 1.736 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1(C(N)=O)CCOCC1 ZINC000153157404 354197730 /nfs/dbraw/zinc/19/77/30/354197730.db2.gz XCZXDHRDPBCLAD-LBPRGKRZSA-N 0 3 321.377 1.836 20 5 DDBDHN O=C(CNC1CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000238156585 354350762 /nfs/dbraw/zinc/35/07/62/354350762.db2.gz RBRSICGAVGUTCH-UHFFFAOYSA-N 0 3 319.361 1.717 20 5 DDBDHN CCN(CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCNC1=O ZINC000281637672 354426734 /nfs/dbraw/zinc/42/67/34/354426734.db2.gz IKFUQXXBJXCVJS-CQSZACIVSA-N 0 3 307.350 1.574 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H](CO)CC1 ZINC000293056323 354453444 /nfs/dbraw/zinc/45/34/44/354453444.db2.gz IFHQJXOLRKTUPR-KGLIPLIRSA-N 0 3 324.377 1.429 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(F)c(F)c2)c1 ZINC000314981647 354489810 /nfs/dbraw/zinc/48/98/10/354489810.db2.gz PCNMRGNALWIBMF-LLVKDONJSA-N 0 3 312.276 1.220 20 5 DDBDHN C[C@H]1OCC[C@@]1(C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000494204867 235006334 /nfs/dbraw/zinc/00/63/34/235006334.db2.gz MKRLRWMSHVIMRZ-BDJLRTHQSA-N 0 3 319.361 1.641 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000589941439 355033845 /nfs/dbraw/zinc/03/38/45/355033845.db2.gz INYUWYGNPWEOTJ-RNCFNFMXSA-N 0 3 308.313 1.902 20 5 DDBDHN CCOc1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590045568 355043965 /nfs/dbraw/zinc/04/39/65/355043965.db2.gz RZCDKFQHFUJLNX-OCCSQVGLSA-N 0 3 319.361 1.770 20 5 DDBDHN COc1cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc([N+](=O)[O-])c1C ZINC000590047189 355044796 /nfs/dbraw/zinc/04/47/96/355044796.db2.gz XDJJTURWRTUFNN-FZMZJTMJSA-N 0 3 319.361 1.688 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCO[C@@H]2CCN(CC)C[C@@H]21 ZINC000590141610 355053360 /nfs/dbraw/zinc/05/33/60/355053360.db2.gz RMGPBZMPKQHRNW-QWHCGFSZSA-N 0 3 323.397 1.419 20 5 DDBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000590561797 355115079 /nfs/dbraw/zinc/11/50/79/355115079.db2.gz GVVWGHBUWDPENZ-GHMZBOCLSA-N 0 3 309.322 1.123 20 5 DDBDHN CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000593029638 355774552 /nfs/dbraw/zinc/77/45/52/355774552.db2.gz WVDPJKDJZNAPKU-UHFFFAOYSA-N 0 3 309.341 1.829 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000593720277 355976253 /nfs/dbraw/zinc/97/62/53/355976253.db2.gz JPMZGUOOVYVVRN-BXUZGUMPSA-N 0 3 307.325 1.439 20 5 DDBDHN Cc1c(CC(=O)N[C@H](CN)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000594451122 356221559 /nfs/dbraw/zinc/22/15/59/356221559.db2.gz KROZWUHWZWNJIZ-SNVBAGLBSA-N 0 3 305.256 1.452 20 5 DDBDHN COCc1nnc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])[n-]1 ZINC000595068468 356377982 /nfs/dbraw/zinc/37/79/82/356377982.db2.gz PHRPFVUTBWXLDV-LLVKDONJSA-N 0 3 319.365 1.970 20 5 DDBDHN C[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1CCO ZINC000595695907 356612233 /nfs/dbraw/zinc/61/22/33/356612233.db2.gz JBFUFRFUZJUKGA-SMDDNHRTSA-N 0 3 321.377 1.677 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCOC2(CNC2)C1 ZINC000596580577 356923673 /nfs/dbraw/zinc/92/36/73/356923673.db2.gz OLRJIMBTLBNFQT-UHFFFAOYSA-N 0 3 319.361 1.334 20 5 DDBDHN CN(C)CCN(C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597104664 357061759 /nfs/dbraw/zinc/06/17/59/357061759.db2.gz ULQYQJNYYDEYOS-UHFFFAOYSA-N 0 3 315.761 1.856 20 5 DDBDHN COC(=O)c1ccnc(NC[C@@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC000598592661 357644710 /nfs/dbraw/zinc/64/47/10/357644710.db2.gz LHCKTVBCJOSSDF-SECBINFHSA-N 0 3 308.338 1.671 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCc2ccco2)c1 ZINC000598763005 357721071 /nfs/dbraw/zinc/72/10/71/357721071.db2.gz HQCYRXXEUJSTTA-ZDUSSCGKSA-N 0 3 306.318 1.760 20 5 DDBDHN O=[N+]([O-])c1ccc2ccnc(NCCN3CC[C@H](O)C3)c2c1 ZINC000599199381 357847505 /nfs/dbraw/zinc/84/75/05/357847505.db2.gz IZONVQPXFMCKKW-ZDUSSCGKSA-N 0 3 302.334 1.622 20 5 DDBDHN CCOC(=O)C[C@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000599353588 357905726 /nfs/dbraw/zinc/90/57/26/357905726.db2.gz JQVZWORFZLATKR-AAEUAGOBSA-N 0 3 310.350 1.868 20 5 DDBDHN CCN(C(=O)COc1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000599986087 358096435 /nfs/dbraw/zinc/09/64/35/358096435.db2.gz NKRGMQDSJRWYNB-UHFFFAOYSA-N 0 3 321.377 1.916 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000600756097 358309003 /nfs/dbraw/zinc/30/90/03/358309003.db2.gz MFDHSBNFFFKHTD-XNRPHZJLSA-N 0 3 322.361 1.492 20 5 DDBDHN CN1CC[C@@]2(CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000601596468 358617737 /nfs/dbraw/zinc/61/77/37/358617737.db2.gz ONZFQMSWXOKCIQ-OAHLLOKOSA-N 0 3 307.325 1.902 20 5 DDBDHN Cc1c(CN[C@H]2CCCS(=O)(=O)CC2)cccc1[N+](=O)[O-] ZINC000602017902 358778644 /nfs/dbraw/zinc/77/86/44/358778644.db2.gz UTGFSKSMXYWJEE-ZDUSSCGKSA-N 0 3 312.391 1.960 20 5 DDBDHN Cc1cnn([C@@H]2CCN(CCn3c(C)ncc3[N+](=O)[O-])C2)c1 ZINC000602836780 359227941 /nfs/dbraw/zinc/22/79/41/359227941.db2.gz ISGUJEIBPDHLCZ-CYBMUJFWSA-N 0 3 304.354 1.552 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N(CCN(C)C)C(C)C ZINC000602953288 359318754 /nfs/dbraw/zinc/31/87/54/359318754.db2.gz RUJBTFYYVUZVTJ-UHFFFAOYSA-N 0 3 309.370 1.524 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](n3ccnn3)CC2)c1 ZINC000602888611 359272451 /nfs/dbraw/zinc/27/24/51/359272451.db2.gz OVNARVNHWWNYAF-LBPRGKRZSA-N 0 3 305.342 1.110 20 5 DDBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1(CO)CC1 ZINC000186803697 200013559 /nfs/dbraw/zinc/01/35/59/200013559.db2.gz IWNDJGNSFCVDBK-ZDUSSCGKSA-N 0 3 310.350 1.039 20 5 DDBDHN CN1CCC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000604546959 359763932 /nfs/dbraw/zinc/76/39/32/359763932.db2.gz NQVAYVQBWIFMED-JTQLQIEISA-N 0 3 302.334 1.900 20 5 DDBDHN CN(C)CCn1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cn1 ZINC000609442644 360307837 /nfs/dbraw/zinc/30/78/37/360307837.db2.gz OUIRLBRZHTYYKM-UHFFFAOYSA-N 0 3 321.312 1.744 20 5 DDBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)CCN1CCCC1=O ZINC000609578216 360327278 /nfs/dbraw/zinc/32/72/78/360327278.db2.gz ZEAUYFFQCVDHMX-UHFFFAOYSA-N 0 3 321.377 1.918 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCCF)cc1 ZINC000565829361 304095690 /nfs/dbraw/zinc/09/56/90/304095690.db2.gz KWJNJCYCSFYTNA-UHFFFAOYSA-N 0 3 304.343 1.708 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H](CCO)C1 ZINC000612070173 360908858 /nfs/dbraw/zinc/90/88/58/360908858.db2.gz DAYJUXDTKYMMGY-KBPBESRZSA-N 0 3 324.377 1.429 20 5 DDBDHN C[C@@H](O)CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000281389977 216266658 /nfs/dbraw/zinc/26/66/58/216266658.db2.gz GGBLTGDWLZNXDJ-WDEREUQCSA-N 0 3 319.365 1.362 20 5 DDBDHN CCN1CCCC[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000264757886 204134217 /nfs/dbraw/zinc/13/42/17/204134217.db2.gz TYWZJGXZSHAIFF-ZDUSSCGKSA-N 0 3 321.377 1.964 20 5 DDBDHN C[C@H](Cn1cccn1)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264846009 204204661 /nfs/dbraw/zinc/20/46/61/204204661.db2.gz IDEXSSPUABKGQA-NEPJUHHUSA-N 0 3 317.349 1.797 20 5 DDBDHN C[C@H](c1ccco1)N(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000267947291 206353921 /nfs/dbraw/zinc/35/39/21/206353921.db2.gz SLEXFAUXMWGPQQ-RISCZKNCSA-N 0 3 320.349 1.971 20 5 DDBDHN C[C@@H]1CN(C)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337193872 249383382 /nfs/dbraw/zinc/38/33/82/249383382.db2.gz YMVZCMNTSQGRSA-GFCCVEGCSA-N 0 3 306.366 1.559 20 5 DDBDHN CC(C)[C@@H](CCO)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000274011497 211271524 /nfs/dbraw/zinc/27/15/24/211271524.db2.gz LUVRRVYQLQVSPY-SMDDNHRTSA-N 0 3 309.366 1.918 20 5 DDBDHN Cc1cc(C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)n[nH]1 ZINC000271664258 209106885 /nfs/dbraw/zinc/10/68/85/209106885.db2.gz VTUBTOSDDQNUJJ-UHFFFAOYSA-N 0 3 304.354 1.702 20 5 DDBDHN Cc1cc(C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)[nH]n1 ZINC000271664258 209106889 /nfs/dbraw/zinc/10/68/89/209106889.db2.gz VTUBTOSDDQNUJJ-UHFFFAOYSA-N 0 3 304.354 1.702 20 5 DDBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1 ZINC000285230411 218341660 /nfs/dbraw/zinc/34/16/60/218341660.db2.gz QNWFRJQBDXMDEO-UHFFFAOYSA-N 0 3 303.322 1.526 20 5 DDBDHN COCCN1CC[C@@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000491559441 532975862 /nfs/dbraw/zinc/97/58/62/532975862.db2.gz ALRYNXZWEOXSGJ-LMVHVUTASA-N 0 3 319.361 1.445 20 5 DDBDHN COc1ccc(OCCN2CCC[C@]2(C)CO)c([N+](=O)[O-])c1 ZINC000567971135 304256963 /nfs/dbraw/zinc/25/69/63/304256963.db2.gz URLGPLUNBSFDTR-OAHLLOKOSA-N 0 3 310.350 1.829 20 5 DDBDHN Cc1c(CC(=O)N(C)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000158119785 197245524 /nfs/dbraw/zinc/24/55/24/197245524.db2.gz UQNMTRXUFGFAPB-UHFFFAOYSA-N 0 3 305.378 1.998 20 5 DDBDHN C[C@H](CN1CCN(C)CC1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000155085989 197021106 /nfs/dbraw/zinc/02/11/06/197021106.db2.gz RENGXNFUOGPKPP-KGLIPLIRSA-N 0 3 306.410 1.881 20 5 DDBDHN COC[C@]1(C(=O)OC)CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000294997041 533218171 /nfs/dbraw/zinc/21/81/71/533218171.db2.gz ICPANZFRHYLRRN-INIZCTEOSA-N 0 3 322.361 1.915 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000440846444 292087517 /nfs/dbraw/zinc/08/75/17/292087517.db2.gz QTQBWIJODKQTAK-MRVPVSSYSA-N 0 3 301.368 1.085 20 5 DDBDHN Cc1ccc(C(C)(C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000353634653 285839971 /nfs/dbraw/zinc/83/99/71/285839971.db2.gz MCBBHDITTPYCIE-CQSZACIVSA-N 0 3 319.365 1.381 20 5 DDBDHN CCCN1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000074290023 406908167 /nfs/dbraw/zinc/90/81/67/406908167.db2.gz MJYOTEUKDHDRFE-UHFFFAOYSA-N 0 3 320.393 1.611 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000046132934 407055614 /nfs/dbraw/zinc/05/56/14/407055614.db2.gz WECJUHNPQVOIPM-CYBMUJFWSA-N 0 3 307.350 1.574 20 5 DDBDHN CN(C)Cc1cccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000047454124 407074351 /nfs/dbraw/zinc/07/43/51/407074351.db2.gz AEKMLURTIPFTHE-UHFFFAOYSA-N 0 3 303.322 1.492 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CCN1CCCC1 ZINC000103115661 407331143 /nfs/dbraw/zinc/33/11/43/407331143.db2.gz DYGJWCJDBSLUOA-UHFFFAOYSA-N 0 3 309.370 1.044 20 5 DDBDHN Cc1ccc(CNCC(C)(C)NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000067005668 407265946 /nfs/dbraw/zinc/26/59/46/407265946.db2.gz WDFFHNBMIKKKHU-UHFFFAOYSA-N 0 3 315.395 1.321 20 5 DDBDHN C[C@H](CN1CCCCC1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000123713926 407337233 /nfs/dbraw/zinc/33/72/33/407337233.db2.gz HUUXPAMJXZTEMC-CYBMUJFWSA-N 0 3 320.393 1.997 20 5 DDBDHN NC(=O)CC[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000170731154 407483517 /nfs/dbraw/zinc/48/35/17/407483517.db2.gz JLQIOGVKYFKFOT-CYBMUJFWSA-N 0 3 321.377 1.951 20 5 DDBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCN1C ZINC000127574989 407442779 /nfs/dbraw/zinc/44/27/79/407442779.db2.gz HOTGFEGXIAZZMS-ONGXEEELSA-N 0 3 324.356 1.871 20 5 DDBDHN CC(=O)N1CCN(CCN[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000266903038 407669118 /nfs/dbraw/zinc/66/91/18/407669118.db2.gz UPZBACYICVSAGX-CYBMUJFWSA-N 0 3 320.393 1.410 20 5 DDBDHN CN(CCn1ccc([N+](=O)[O-])n1)[C@H](CCO)c1ccccc1 ZINC000267043202 407727841 /nfs/dbraw/zinc/72/78/41/407727841.db2.gz DMIYLMLUYPJDOX-CQSZACIVSA-N 0 3 304.350 1.847 20 5 DDBDHN CN(C)C[C@@](C)(O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000153024016 407739479 /nfs/dbraw/zinc/73/94/79/407739479.db2.gz UDIJOUIMVYSALH-PPYMECGQSA-N 0 3 307.350 1.037 20 5 DDBDHN CCN1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268431893 408042237 /nfs/dbraw/zinc/04/22/37/408042237.db2.gz BGJRRIPLDLQPCI-ZDUSSCGKSA-N 0 3 321.425 1.984 20 5 DDBDHN COc1cc(C(=O)N2C[C@@H](C)NC[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000272589902 407997891 /nfs/dbraw/zinc/99/78/91/407997891.db2.gz PJBRRXIBHNBZRP-ZJUUUORDSA-N 0 3 323.349 1.434 20 5 DDBDHN NC(=O)C[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000175267692 408091829 /nfs/dbraw/zinc/09/18/29/408091829.db2.gz GKAKQQJNMYBILV-LBPRGKRZSA-N 0 3 307.350 1.561 20 5 DDBDHN COc1ccc(NC(=O)C[C@H]2CSCCN2)cc1[N+](=O)[O-] ZINC000136481931 408105895 /nfs/dbraw/zinc/10/58/95/408105895.db2.gz PVJRZHLWCDQCMX-JTQLQIEISA-N 0 3 311.363 1.637 20 5 DDBDHN COCCN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000141669028 408178996 /nfs/dbraw/zinc/17/89/96/408178996.db2.gz KDQIWGWFUAOTSY-UHFFFAOYSA-N 0 3 307.350 1.435 20 5 DDBDHN C[C@H](NCCCN1CCC[C@@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000268966067 408222006 /nfs/dbraw/zinc/22/20/06/408222006.db2.gz YMDCZEFZDXGTBS-SWLSCSKDSA-N 0 3 320.393 1.585 20 5 DDBDHN CCC[C@](C)(N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269197008 408230880 /nfs/dbraw/zinc/23/08/80/408230880.db2.gz TVJSBIOBCVJSHA-INIZCTEOSA-N 0 3 320.393 1.761 20 5 DDBDHN COCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000138550490 162130748 /nfs/dbraw/zinc/13/07/48/162130748.db2.gz YVYSRGRYUKLEJR-UHFFFAOYSA-N 0 3 321.377 1.744 20 5 DDBDHN COC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000183437846 408411388 /nfs/dbraw/zinc/41/13/88/408411388.db2.gz IRTWYZRPNTWRGC-ZDUSSCGKSA-N 0 3 323.349 1.557 20 5 DDBDHN CC(C)N1CCC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000274472958 408420009 /nfs/dbraw/zinc/42/00/09/408420009.db2.gz LMBIUZJERMMEHH-ZDUSSCGKSA-N 0 3 320.393 1.996 20 5 DDBDHN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCN2CCC[C@@H]2C1 ZINC000264286478 408426669 /nfs/dbraw/zinc/42/66/69/408426669.db2.gz KTPNOWVTIIACPO-GFCCVEGCSA-N 0 3 314.345 1.996 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000247382259 408461484 /nfs/dbraw/zinc/46/14/84/408461484.db2.gz LMOXTLVGWZTGPC-YGRLFVJLSA-N 0 3 306.366 1.710 20 5 DDBDHN C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000193522084 408725621 /nfs/dbraw/zinc/72/56/21/408725621.db2.gz YGXFCQYJZABWQZ-NSHDSACASA-N 0 3 308.382 1.458 20 5 DDBDHN CN(C)CC1(NC(=O)CNc2ccccc2[N+](=O)[O-])CCC1 ZINC000281672849 408907989 /nfs/dbraw/zinc/90/79/89/408907989.db2.gz JYBHHCHLJXKKGM-UHFFFAOYSA-N 0 3 306.366 1.607 20 5 DDBDHN C[C@H]1C[C@H](N2CCOCC2)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000286174133 408936878 /nfs/dbraw/zinc/93/68/78/408936878.db2.gz WXNUBHGNSABBKV-YOEHRIQHSA-N 0 3 319.405 1.932 20 5 DDBDHN CN1CC[C@@]2(CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000291991089 408957896 /nfs/dbraw/zinc/95/78/96/408957896.db2.gz QNWIQZFCGPSMDA-MRXNPFEDSA-N 0 3 318.377 1.832 20 5 DDBDHN Cc1cc(OCC(=O)N(C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000282014507 408972213 /nfs/dbraw/zinc/97/22/13/408972213.db2.gz PUVLJJRAOCYXFK-UHFFFAOYSA-N 0 3 321.377 1.835 20 5 DDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000287309705 409017421 /nfs/dbraw/zinc/01/74/21/409017421.db2.gz UQXVOSVOEOHPIQ-RISCZKNCSA-N 0 3 318.377 1.876 20 5 DDBDHN Cc1nc(N2CCN(C3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000278682204 409086140 /nfs/dbraw/zinc/08/61/40/409086140.db2.gz DKSIJIXMLYTYAB-GFCCVEGCSA-N 0 3 320.393 1.988 20 5 DDBDHN COC(=O)c1cc(C)nc(NC[C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000287821943 409098695 /nfs/dbraw/zinc/09/86/95/409098695.db2.gz KGLCXQVXCABPHW-JTQLQIEISA-N 0 3 308.338 1.448 20 5 DDBDHN Nc1ccc(N2CCN(C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000283436303 409156383 /nfs/dbraw/zinc/15/63/83/409156383.db2.gz CASMBRXZXPVNDB-LBPRGKRZSA-N 0 3 306.366 1.336 20 5 DDBDHN C[C@@H](NCCN1CCC(O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296044765 409410332 /nfs/dbraw/zinc/41/03/32/409410332.db2.gz UQTJJBMHZVJXME-LLVKDONJSA-N 0 3 308.382 1.284 20 5 DDBDHN NC(=O)c1ccnc(NC2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000290538243 409436444 /nfs/dbraw/zinc/43/64/44/409436444.db2.gz OZBXZTQQMJJFCY-UHFFFAOYSA-N 0 3 305.338 1.127 20 5 DDBDHN C[C@H]1CCOCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000373280178 164169335 /nfs/dbraw/zinc/16/93/35/164169335.db2.gz JMGOGFHUOUVIAQ-STQMWFEESA-N 0 3 310.350 1.445 20 5 DDBDHN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCN2CCC[C@H]2C1 ZINC000408024753 164201870 /nfs/dbraw/zinc/20/18/70/164201870.db2.gz GTRPCSFAZFIBLZ-NSHDSACASA-N 0 3 314.345 1.996 20 5 DDBDHN O=C(COc1cccc([N+](=O)[O-])c1)NCCNc1ccncc1 ZINC000338071200 409696345 /nfs/dbraw/zinc/69/63/45/409696345.db2.gz RXAZRAHGPBGWSD-UHFFFAOYSA-N 0 3 316.317 1.019 20 5 DDBDHN C[C@H](NC(=O)[C@H]1CN2CCN1CCC2)c1ccccc1[N+](=O)[O-] ZINC000342475251 409664005 /nfs/dbraw/zinc/66/40/05/409664005.db2.gz RNUSOYXKEITLHJ-SWLSCSKDSA-N 0 3 318.377 1.162 20 5 DDBDHN C[C@H](C[C@H](C)[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000320698813 409907957 /nfs/dbraw/zinc/90/79/57/409907957.db2.gz RLRYJDLNEGYYAV-JGVFFNPUSA-N 0 3 321.786 1.652 20 5 DDBDHN CCN1CC[C@@H]2OCCN(Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000339399026 410161925 /nfs/dbraw/zinc/16/19/25/410161925.db2.gz YNBATDFBURBILB-HOTGVXAUSA-N 0 3 305.378 1.890 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCN1C ZINC000332695030 410218878 /nfs/dbraw/zinc/21/88/78/410218878.db2.gz RJERJTBNEAAPTB-KOLCDFICSA-N 0 3 321.333 1.536 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCC1=CCN(C)CC1 ZINC000343265537 410291886 /nfs/dbraw/zinc/29/18/86/410291886.db2.gz OEBDJCUHHZGPAZ-UHFFFAOYSA-N 0 3 305.334 1.595 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343444153 410459274 /nfs/dbraw/zinc/45/92/74/410459274.db2.gz BACASZCRRBFRGP-PWSUYJOCSA-N 0 3 309.370 1.089 20 5 DDBDHN Cc1nn(CCC(=O)N[C@@H]2CCCN(C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000343459881 410471367 /nfs/dbraw/zinc/47/13/67/410471367.db2.gz WTJNRUXNCSIALK-DGCLKSJQSA-N 0 3 323.397 1.397 20 5 DDBDHN COc1cc(C(=O)N[C@H]2CCCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343462143 410471693 /nfs/dbraw/zinc/47/16/93/410471693.db2.gz SVSKYJSTVGPQLM-PWSUYJOCSA-N 0 3 307.350 1.816 20 5 DDBDHN COC(=O)COc1ccc(CN(C)CC2CC2)cc1[N+](=O)[O-] ZINC000355603343 410603750 /nfs/dbraw/zinc/60/37/50/410603750.db2.gz XQRWPYRAHKESBU-UHFFFAOYSA-N 0 3 308.334 1.988 20 5 DDBDHN COc1cc(CN2CCN(C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000337375113 410745458 /nfs/dbraw/zinc/74/54/58/410745458.db2.gz ZVPPBUKJRAWFPF-STQMWFEESA-N 0 3 323.393 1.490 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H]2Cc2ccccc2)c1 ZINC000353040146 410751881 /nfs/dbraw/zinc/75/18/81/410751881.db2.gz NIBAZDMKTGMDLQ-ZBFHGGJFSA-N 0 3 316.361 1.469 20 5 DDBDHN C[C@H]1CC(C)(C)C[C@](CO)(NCc2c([N+](=O)[O-])ncn2C)C1 ZINC000331125934 410965246 /nfs/dbraw/zinc/96/52/46/410965246.db2.gz NPDKSXMOPTYCFL-XHDPSFHLSA-N 0 3 310.398 1.995 20 5 DDBDHN CN(C)[C@@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000331098619 410943932 /nfs/dbraw/zinc/94/39/32/410943932.db2.gz BUOCLCVFXNKHPT-SECBINFHSA-N 0 3 313.304 1.578 20 5 DDBDHN C[C@H](CO)[C@H](C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000295769892 225215823 /nfs/dbraw/zinc/21/58/23/225215823.db2.gz PUCZKQHHYOAYLL-MNOVXSKESA-N 0 3 307.350 1.090 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H]2CCC[C@@H](C1)N2 ZINC000420348868 226470956 /nfs/dbraw/zinc/47/09/56/226470956.db2.gz NCBHHJCWYREKBR-BETUJISGSA-N 0 3 318.377 1.668 20 5 DDBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000366199895 418442409 /nfs/dbraw/zinc/44/24/09/418442409.db2.gz XFPFSTZVZUGDHS-OAHLLOKOSA-N 0 3 319.361 1.578 20 5 DDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCN(C)C ZINC000290894871 222001992 /nfs/dbraw/zinc/00/19/92/222001992.db2.gz VCURIEXIYYYHHO-UHFFFAOYSA-N 0 3 322.365 1.116 20 5 DDBDHN Cn1cc(N2CC[C@@H](NCc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000367702507 418621875 /nfs/dbraw/zinc/62/18/75/418621875.db2.gz WLFBMAZJWUSNTC-CYBMUJFWSA-N 0 3 301.350 1.697 20 5 DDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCc3nc[nH]c3C2)c([N+](=O)[O-])c1 ZINC000365614259 418882913 /nfs/dbraw/zinc/88/29/13/418882913.db2.gz SFDGPOYPMCZMPE-SNVBAGLBSA-N 0 3 317.305 1.873 20 5 DDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCc3[nH]cnc3C2)c([N+](=O)[O-])c1 ZINC000365614259 418882916 /nfs/dbraw/zinc/88/29/16/418882916.db2.gz SFDGPOYPMCZMPE-SNVBAGLBSA-N 0 3 317.305 1.873 20 5 DDBDHN CC(C)(C)[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000411372044 418897951 /nfs/dbraw/zinc/89/79/51/418897951.db2.gz ZQDSTEGFEQMMQM-CYBMUJFWSA-N 0 3 322.365 1.413 20 5 DDBDHN C[C@@H]1[C@@H](CO)CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000412061857 419611492 /nfs/dbraw/zinc/61/14/92/419611492.db2.gz AKLXPLBKYVCOIC-MCIONIFRSA-N 0 3 324.377 1.427 20 5 DDBDHN CN(C[C@H]1CCCN1C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000421706855 419691724 /nfs/dbraw/zinc/69/17/24/419691724.db2.gz VYWZMLRPSXHEID-CYBMUJFWSA-N 0 3 320.393 1.949 20 5 DDBDHN CC[C@@H](O)CNCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000422123307 419850467 /nfs/dbraw/zinc/85/04/67/419850467.db2.gz RLAXHZHVHZQPJI-LLVKDONJSA-N 0 3 312.322 1.007 20 5 DDBDHN Cc1cc(OCC(=O)N[C@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000431832376 229061463 /nfs/dbraw/zinc/06/14/63/229061463.db2.gz GASWBTRWRKLIQC-LBPRGKRZSA-N 0 3 319.361 1.635 20 5 DDBDHN C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H](N)c1ccccc1 ZINC000423891763 420248027 /nfs/dbraw/zinc/24/80/27/420248027.db2.gz BUURMTVJKPAEPY-SMDDNHRTSA-N 0 3 317.349 1.244 20 5 DDBDHN CN(C(=O)c1nn(C)cc1[N+](=O)[O-])C(C)(C)CN1CCCC1 ZINC000416104948 420248257 /nfs/dbraw/zinc/24/82/57/420248257.db2.gz KHNVNWIADYFTGN-UHFFFAOYSA-N 0 3 309.370 1.275 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CCC[NH3+])c1C ZINC000420442168 420289952 /nfs/dbraw/zinc/28/99/52/420289952.db2.gz PNSZETDMRDICEI-JTQLQIEISA-N 0 3 315.395 1.617 20 5 DDBDHN CN(C)C1(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000416289171 420308292 /nfs/dbraw/zinc/30/82/92/420308292.db2.gz IVBVKUJIAGRQDY-UHFFFAOYSA-N 0 3 306.366 1.607 20 5 DDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC(C)(C)CN(C)C ZINC000416506526 420400694 /nfs/dbraw/zinc/40/06/94/420400694.db2.gz GTTUNHJHTVXZON-UHFFFAOYSA-N 0 3 315.395 1.522 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCN2CCC[C@H](C)C2)n1 ZINC000439102215 420479233 /nfs/dbraw/zinc/47/92/33/420479233.db2.gz SLOOTAAGRDMNBY-NSHDSACASA-N 0 3 322.365 1.920 20 5 DDBDHN CCN(CCO)CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492592903 420600578 /nfs/dbraw/zinc/60/05/78/420600578.db2.gz JCDCBLURZXKSJR-YVMONPNESA-N 0 3 307.350 1.038 20 5 DDBDHN O=C(NC[C@H]1CCCCN1CCO)Nc1cccc([N+](=O)[O-])c1 ZINC000454139319 420805786 /nfs/dbraw/zinc/80/57/86/420805786.db2.gz DQGFJQJNTNLXHH-CQSZACIVSA-N 0 3 322.365 1.563 20 5 DDBDHN CN(C)CCN(CC1CCCCC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000448127275 420838136 /nfs/dbraw/zinc/83/81/36/420838136.db2.gz GWBXAAUMCSYXBS-UHFFFAOYSA-N 0 3 322.413 1.915 20 5 DDBDHN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CNCCC1(F)F ZINC000449667138 421053065 /nfs/dbraw/zinc/05/30/65/421053065.db2.gz UHQJOUVSBUWXKO-LLVKDONJSA-N 0 3 315.276 1.087 20 5 DDBDHN CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000495808253 421068240 /nfs/dbraw/zinc/06/82/40/421068240.db2.gz MSAYHXAGMUMZKU-YPMHNXCESA-N 0 3 324.333 1.552 20 5 DDBDHN COc1ccc(OCCN[C@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000515495042 421506655 /nfs/dbraw/zinc/50/66/55/421506655.db2.gz CSSQZVSVGCQBIE-UONOGXRCSA-N 0 3 310.350 1.731 20 5 DDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)N1CCC[C@H](C)C1 ZINC000518772205 421666479 /nfs/dbraw/zinc/66/64/79/421666479.db2.gz ZYNLXLMVKZXSSG-RYUDHWBXSA-N 0 3 308.382 1.784 20 5 DDBDHN COc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000571245185 421699676 /nfs/dbraw/zinc/69/96/76/421699676.db2.gz UZZNKUHMXLLSHS-GFCCVEGCSA-N 0 3 324.312 1.090 20 5 DDBDHN CCCN(CCN1CCCC1)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000342202230 271338307 /nfs/dbraw/zinc/33/83/07/271338307.db2.gz FLTLJVHUIUMDOS-UHFFFAOYSA-N 0 3 323.397 1.759 20 5 DDBDHN CN(C)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000342927386 271572158 /nfs/dbraw/zinc/57/21/58/271572158.db2.gz QLKUKJNJKGFUEB-UHFFFAOYSA-N 0 3 302.334 1.915 20 5 DDBDHN O=[N+]([O-])c1cc2c(ncnc2N2CCCN(CCO)CC2)s1 ZINC000287853726 275034081 /nfs/dbraw/zinc/03/40/81/275034081.db2.gz LSGQJTRJSUBEKF-UHFFFAOYSA-N 0 3 323.378 1.104 20 5 DDBDHN C[C@H]1NCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H]1C ZINC000277500205 280050315 /nfs/dbraw/zinc/05/03/15/280050315.db2.gz PAAIEGIWZIAWKD-RKDXNWHRSA-N 0 3 308.294 1.325 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N2CCN(CC3CCOCC3)CC2)n1 ZINC000178233173 281012131 /nfs/dbraw/zinc/01/21/31/281012131.db2.gz QOKGJRNWVSQQDJ-UHFFFAOYSA-N 0 3 320.393 1.847 20 5 DDBDHN Cc1nn(C)c(C(=O)N2CCC[C@H]2CN2CCCC2)c1[N+](=O)[O-] ZINC000263783305 293697940 /nfs/dbraw/zinc/69/79/40/293697940.db2.gz HGEOLLYQZYOTCD-LBPRGKRZSA-N 0 3 321.381 1.337 20 5 DDBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357933504 299024855 /nfs/dbraw/zinc/02/48/55/299024855.db2.gz JFCQDHXWHVBZKG-GFCCVEGCSA-N 0 3 323.397 1.569 20 5 DDBDHN CC(C)(O)CN1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000364272391 300366525 /nfs/dbraw/zinc/36/65/25/300366525.db2.gz UYYHJIVZLAAHBZ-UHFFFAOYSA-N 0 3 307.394 1.873 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000368349416 301008284 /nfs/dbraw/zinc/00/82/84/301008284.db2.gz RPMWBJHMAZTQPZ-OAHLLOKOSA-N 0 3 304.350 1.466 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000368925810 301106687 /nfs/dbraw/zinc/10/66/87/301106687.db2.gz LXFRYONGVBKFMC-CYBMUJFWSA-N 0 3 321.381 1.187 20 5 DDBDHN Cc1cc(NC[C@H]2CNC(=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000398274434 302358026 /nfs/dbraw/zinc/35/80/26/302358026.db2.gz ADDMAMGNOHNCNS-JTQLQIEISA-N 0 3 300.318 1.421 20 5 DDBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532140706 303276569 /nfs/dbraw/zinc/27/65/69/303276569.db2.gz RZPWBCMYSSKWNN-NWDGAFQWSA-N 0 3 306.366 1.840 20 5 DDBDHN O=[N+]([O-])c1ccc(CCN2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000363733871 307034435 /nfs/dbraw/zinc/03/44/35/307034435.db2.gz UIEPAPWYMWVXIT-IAGOWNOFSA-N 0 3 319.405 1.668 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000367142502 307087043 /nfs/dbraw/zinc/08/70/43/307087043.db2.gz XKUSYUFGUVJORP-OLZOCXBDSA-N 0 3 307.350 1.115 20 5 DDBDHN Cc1noc(CCNCCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000564849014 308008444 /nfs/dbraw/zinc/00/84/44/308008444.db2.gz PKOZIUMOBDZBKQ-UHFFFAOYSA-N 0 3 319.321 1.447 20 5 DDBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000567302117 308077398 /nfs/dbraw/zinc/07/73/98/308077398.db2.gz CMERLAUOJYZDDP-LLVKDONJSA-N 0 3 309.370 1.573 20 5 DDBDHN CN1CC[C@@](O)(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000567607892 308086629 /nfs/dbraw/zinc/08/66/29/308086629.db2.gz IHXIBKHIUSHURJ-OAHLLOKOSA-N 0 3 306.366 1.347 20 5 DDBDHN CCc1noc(CC)c1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000567684638 308089842 /nfs/dbraw/zinc/08/98/42/308089842.db2.gz NDHBTNYPCZFNKW-NSHDSACASA-N 0 3 323.353 1.055 20 5 DDBDHN Cc1c(C(=O)NC[C@H](C)N(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000299479212 533793526 /nfs/dbraw/zinc/79/35/26/533793526.db2.gz DWWCQAVWYNBCQB-QMMMGPOBSA-N 0 3 324.337 1.800 20 5 DDBDHN C[C@@H]1OCC[C@]1(C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000494204870 534205363 /nfs/dbraw/zinc/20/53/63/534205363.db2.gz MKRLRWMSHVIMRZ-ZBEGNZNMSA-N 0 3 319.361 1.641 20 5 DDBDHN CNC(=O)c1ccc(N[C@@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000336859134 536434805 /nfs/dbraw/zinc/43/48/05/536434805.db2.gz FIZDEHBJZDGWGA-ZYHUDNBSSA-N 0 3 306.366 1.849 20 5 DDBDHN C[N@@H+]1CCC[C@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736857421 598503855 /nfs/dbraw/zinc/50/38/55/598503855.db2.gz NKLATWDFVYFBAW-SNVBAGLBSA-N 0 3 317.353 1.529 20 5 DDBDHN C[N@H+]1CCC[C@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736857421 598503856 /nfs/dbraw/zinc/50/38/56/598503856.db2.gz NKLATWDFVYFBAW-SNVBAGLBSA-N 0 3 317.353 1.529 20 5 DDBDHN C[N@@H+]1CCC[C@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736857421 598503857 /nfs/dbraw/zinc/50/38/57/598503857.db2.gz NKLATWDFVYFBAW-SNVBAGLBSA-N 0 3 317.353 1.529 20 5 DDBDHN C[N@H+]1CCC[C@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736857421 598503858 /nfs/dbraw/zinc/50/38/58/598503858.db2.gz NKLATWDFVYFBAW-SNVBAGLBSA-N 0 3 317.353 1.529 20 5 DDBDHN CC(C)CN(CCN(C)C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000064963285 696342973 /nfs/dbraw/zinc/34/29/73/696342973.db2.gz FCVFDVDHKRSKIK-UHFFFAOYSA-N 0 3 308.382 1.837 20 5 DDBDHN CCN(CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1 ZINC000786932751 699181045 /nfs/dbraw/zinc/18/10/45/699181045.db2.gz BBNIOEGNPLMMRO-UHFFFAOYSA-N 0 3 302.352 1.645 20 5 DDBDHN CCOc1ccc(NC(=O)CN[C@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000771814750 701332645 /nfs/dbraw/zinc/33/26/45/701332645.db2.gz UBMKZHZVRFHSCR-CYBMUJFWSA-N 0 3 323.349 1.293 20 5 DDBDHN CC(COC(=O)[C@H](C)n1ccc2ccccc2c1=O)[N+](=O)[O-] ZINC000813103671 702292171 /nfs/dbraw/zinc/29/21/71/702292171.db2.gz DQDZRROIYCMBRM-MNOVXSKESA-N 0 3 304.302 1.771 20 5 DDBDHN CC(COC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C)[N+](=O)[O-] ZINC000813106482 702292857 /nfs/dbraw/zinc/29/28/57/702292857.db2.gz DCZJXJPERAEBCL-VHSXEESVSA-N 0 3 318.395 1.533 20 5 DDBDHN CC(COC(=O)CCOCC(F)(F)C(F)(F)F)[N+](=O)[O-] ZINC000813105247 702293166 /nfs/dbraw/zinc/29/31/66/702293166.db2.gz XBOZIZJNKSBDHI-ZCFIWIBFSA-N 0 3 309.187 1.799 20 5 DDBDHN CC(COC(=O)c1cc(N2CCOC2=O)ccc1F)[N+](=O)[O-] ZINC000813109970 702295787 /nfs/dbraw/zinc/29/57/87/702295787.db2.gz XXMKNNOMELODRM-QMMMGPOBSA-N 0 3 312.253 1.604 20 5 DDBDHN CC(COC(=O)CCn1cc(Br)cn1)[N+](=O)[O-] ZINC000813111144 702297155 /nfs/dbraw/zinc/29/71/55/702297155.db2.gz OPNLFDVQQKXJBM-SSDOTTSWSA-N 0 3 306.116 1.244 20 5 DDBDHN CC(COC(=O)C[C@@H](C)n1cc(Br)cn1)[N+](=O)[O-] ZINC000842802336 702776388 /nfs/dbraw/zinc/77/63/88/702776388.db2.gz VQYLRCOGKLTFMM-HTQZYQBOSA-N 0 3 320.143 1.805 20 5 DDBDHN CC[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000843090521 702816864 /nfs/dbraw/zinc/81/68/64/702816864.db2.gz YIIPTUIKWHBWPV-SRVKXCTJSA-N 0 3 322.283 1.920 20 5 DDBDHN Cc1c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nnn1C ZINC000845873513 703211483 /nfs/dbraw/zinc/21/14/83/703211483.db2.gz CZOHQWQQFZUAEL-NOZJJQNGSA-N 0 3 322.296 1.826 20 5 DDBDHN CC(COC(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21)[N+](=O)[O-] ZINC000860777576 705279898 /nfs/dbraw/zinc/27/98/98/705279898.db2.gz QSAWICMQTXXJBF-SFYZADRCSA-N 0 3 321.255 1.988 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](c2nccn2C)C1 ZINC000878518886 706414397 /nfs/dbraw/zinc/41/43/97/706414397.db2.gz VBSMKYTXPBZVOR-ZDUSSCGKSA-N 0 3 318.381 1.713 20 5 DDBDHN COc1cc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c([N+](=O)[O-])cc1[O-] ZINC000865691534 706498063 /nfs/dbraw/zinc/49/80/63/706498063.db2.gz BNJKIPJPABTPAJ-FADURIOFSA-N 0 3 320.345 1.822 20 5 DDBDHN CCc1nn(C)c(N[C@H]2CCN(CC(C)(C)O)C2)c1[N+](=O)[O-] ZINC000865998261 706589383 /nfs/dbraw/zinc/58/93/83/706589383.db2.gz AKNLEVFUKWVFIT-JTQLQIEISA-N 0 3 311.386 1.148 20 5 DDBDHN O=C1CC2(CCC2)N(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000880169331 706899450 /nfs/dbraw/zinc/89/94/50/706899450.db2.gz QVCSXPIJVQBBTG-AWEZNQCLSA-N 0 3 319.361 1.373 20 5 DDBDHN Cc1c(CN[C@H](C)CCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000873078932 707722066 /nfs/dbraw/zinc/72/20/66/707722066.db2.gz UPTWWVYKEDJVLP-SNVBAGLBSA-N 0 3 300.380 1.816 20 5 DDBDHN COc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000897219483 708257362 /nfs/dbraw/zinc/25/73/62/708257362.db2.gz LDJGUJPJMUMFSS-CHWSQXEVSA-N 0 3 321.377 1.639 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CO)CN2CCCC2)c1C ZINC000897766612 708443830 /nfs/dbraw/zinc/44/38/30/708443830.db2.gz QIMVBKHVCOIRKR-CYBMUJFWSA-N 0 3 321.377 1.398 20 5 DDBDHN O=C(NC[C@H]1CCN1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000885857333 708640883 /nfs/dbraw/zinc/64/08/83/708640883.db2.gz AYCWYMOOHKFWBY-CYBMUJFWSA-N 0 3 319.361 1.578 20 5 DDBDHN Cc1ccccc1[C@@H](CO)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000886433767 708760337 /nfs/dbraw/zinc/76/03/37/708760337.db2.gz UBURAXQXCCBFIJ-CQSZACIVSA-N 0 3 304.350 1.765 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CC(N3CCCC3)C2)c1[N+](=O)[O-] ZINC000898608194 708809141 /nfs/dbraw/zinc/80/91/41/708809141.db2.gz KRPBYJBHNYACGP-UHFFFAOYSA-N 0 3 307.354 1.362 20 5 DDBDHN CC(C)c1n[n-]c(C(=O)N2CC([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000898608194 708809144 /nfs/dbraw/zinc/80/91/44/708809144.db2.gz KRPBYJBHNYACGP-UHFFFAOYSA-N 0 3 307.354 1.362 20 5 DDBDHN CN(C)CCn1nccc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000899911633 709235182 /nfs/dbraw/zinc/23/51/82/709235182.db2.gz SSNVQIFHTXPMGG-UHFFFAOYSA-N 0 3 303.322 1.605 20 5 DDBDHN COc1cc(C(=O)N[C@H]2CCN(C)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000928438768 713195832 /nfs/dbraw/zinc/19/58/32/713195832.db2.gz GVCNLTZQIVFTAR-PWSUYJOCSA-N 0 3 307.350 1.734 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CCN1C ZINC000928438583 713195874 /nfs/dbraw/zinc/19/58/74/713195874.db2.gz GIDSEGYKKFEHRN-BXKDBHETSA-N 0 3 324.356 1.622 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCN1C ZINC000928445236 713199504 /nfs/dbraw/zinc/19/95/04/713199504.db2.gz PQLCXAPPUCZAIA-FZMZJTMJSA-N 0 3 316.361 1.758 20 5 DDBDHN CN(CCO)CCN(C)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000894590333 711198457 /nfs/dbraw/zinc/19/84/57/711198457.db2.gz DDUBPOFKJDHRHH-UHFFFAOYSA-N 0 3 304.350 1.503 20 5 DDBDHN C[C@@]1(NC(=O)CNc2ccccc2[N+](=O)[O-])CN2CCC1CC2 ZINC000912381244 711302627 /nfs/dbraw/zinc/30/26/27/711302627.db2.gz XQWUWLQUJZKDCJ-MRXNPFEDSA-N 0 3 318.377 1.607 20 5 DDBDHN CC(C)(C)OC(=O)C1CC2(C1)CC[C@@H](CNCC[N+](=O)[O-])O2 ZINC000905589759 712087886 /nfs/dbraw/zinc/08/78/86/712087886.db2.gz ATXNZEBCQPGBNV-AVERBVTBSA-N 0 3 314.382 1.522 20 5 DDBDHN CN(C)C[C@H](CO)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908201518 712708679 /nfs/dbraw/zinc/70/86/79/712708679.db2.gz QBAFOCKHDHEZBL-MRVPVSSYSA-N 0 3 319.720 1.040 20 5 DDBDHN CC[C@H](CO)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000915875570 713434331 /nfs/dbraw/zinc/43/43/31/713434331.db2.gz RXMHYTZWGVZEIN-RKDXNWHRSA-N 0 3 315.757 1.936 20 5 DDBDHN CC[C@H](CO)N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000915875841 713434342 /nfs/dbraw/zinc/43/43/42/713434342.db2.gz YQVUMCDZACJQMU-DTWKUNHWSA-N 0 3 315.757 1.936 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC001126066367 738222256 /nfs/dbraw/zinc/22/22/56/738222256.db2.gz HJXVKTJUUIAVSP-UHFFFAOYSA-N 0 3 318.308 1.649 20 5 DDBDHN CC(C)Oc1cc(C(=O)N2CCN3CC[C@H]2C3)ccc1[N+](=O)[O-] ZINC000597709119 745136685 /nfs/dbraw/zinc/13/66/85/745136685.db2.gz VBWCQNRBDOEEKW-ZDUSSCGKSA-N 0 3 319.361 1.912 20 5 DDBDHN O=C(Cc1ccon1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125103753 748862028 /nfs/dbraw/zinc/86/20/28/748862028.db2.gz NBEPDBIFUWFEQS-UHFFFAOYSA-N 0 3 304.306 1.031 20 5 DDBDHN CC(C)N(C)CC(=O)NCCCN(C)c1ccccc1[N+](=O)[O-] ZINC001095574670 750050842 /nfs/dbraw/zinc/05/08/42/750050842.db2.gz IGMXLGUHRWMHCL-UHFFFAOYSA-N 0 3 322.409 1.878 20 5 DDBDHN C[C@@H](N)c1ccn(-c2cc([N+](=O)[O-])cc(Br)n2)n1 ZINC001169231943 762293316 /nfs/dbraw/zinc/29/33/16/762293316.db2.gz WXQRMTYDIGLZKU-ZCFIWIBFSA-N 0 3 312.127 1.958 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1NCCCNC(=O)CN(C)C(C)C ZINC001094456730 775894699 /nfs/dbraw/zinc/89/46/99/775894699.db2.gz PJGREBYEXITNDC-UHFFFAOYSA-N 0 3 323.397 1.557 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1COC[C@H]1C ZINC001176355935 778132592 /nfs/dbraw/zinc/13/25/92/778132592.db2.gz PSBGAQMNZOHFJL-GBIKHYSHSA-N 0 3 323.349 1.555 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(NCc2nnn3c2CNCCC3)n1 ZINC001155398008 862043215 /nfs/dbraw/zinc/04/32/15/862043215.db2.gz QLBXLZZLGJHEMC-UHFFFAOYSA-N 0 3 317.353 1.304 20 5 DDBDHN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccns1 ZINC001273508322 851041698 /nfs/dbraw/zinc/04/16/98/851041698.db2.gz ZXEFRIBDAYASQS-VXGBXAGGSA-N 0 3 312.395 1.089 20 5 DDBDHN Cc1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC001124256870 859655193 /nfs/dbraw/zinc/65/51/93/859655193.db2.gz ILAZCFGRYNVWPR-UHFFFAOYSA-N 0 3 317.349 1.156 20 5 DDBDHN COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3CCCN(C)[C@@H]3C2)n1 ZINC001157263706 863691511 /nfs/dbraw/zinc/69/15/11/863691511.db2.gz BLGDZVAIBDNVEI-GHMZBOCLSA-N 0 3 307.354 1.232 20 5 DDBDHN CC(C)(C)c1cnc(CNCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001157775629 864130949 /nfs/dbraw/zinc/13/09/49/864130949.db2.gz SNENOHRQDORGGT-GHMZBOCLSA-N 0 3 324.381 1.233 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC001332401690 865814343 /nfs/dbraw/zinc/81/43/43/865814343.db2.gz KHYRDRSRDPNIIW-GJZGRUSLSA-N 0 3 318.377 1.945 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(OCC(N)=O)CC1 ZINC001323551044 866683098 /nfs/dbraw/zinc/68/30/98/866683098.db2.gz LGLHWRCZUHRYAE-LBPRGKRZSA-N 0 3 321.377 1.931 20 5 DDBDHN O=[N+]([O-])c1ccc2ncc(N3CC[C@@H]4NCCO[C@H]4C3)nc2c1 ZINC001165270045 869481823 /nfs/dbraw/zinc/48/18/23/869481823.db2.gz VSGSWXWGCMPZON-JSGCOSHPSA-N 0 3 315.333 1.105 20 5 DDBDHN COC(=O)c1cc(OC)c(OC2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001226362666 882388395 /nfs/dbraw/zinc/38/83/95/882388395.db2.gz XSKXLKLEJBQNAG-UHFFFAOYSA-N 0 3 324.333 1.863 20 5 DDBDHN C[C@@](CO)(NC[C@H]1CCc2ncnn21)c1cccc([N+](=O)[O-])c1 ZINC001308000380 871461568 /nfs/dbraw/zinc/46/15/68/871461568.db2.gz UFLZTXFQVUARMK-HIFRSBDPSA-N 0 3 317.349 1.171 20 5 DDBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001341141123 871524575 /nfs/dbraw/zinc/52/45/75/871524575.db2.gz PWTLZCCQOQFRSO-AGIUHOORSA-N 0 3 320.393 1.994 20 5 DDBDHN CC(C)(CCC(=O)OC[C@H]1CCN1C1CCOCC1)[N+](=O)[O-] ZINC001345667587 873470277 /nfs/dbraw/zinc/47/02/77/873470277.db2.gz ZNGWXXBCZRJNRW-CYBMUJFWSA-N 0 3 314.382 1.618 20 5 DDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001348998645 874915182 /nfs/dbraw/zinc/91/51/82/874915182.db2.gz MLTKTYAHMOTCFZ-NEPJUHHUSA-N 0 3 322.340 1.625 20 5 DDBDHN O=c1[nH][n-]cc1CCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573339 896507925 /nfs/dbraw/zinc/50/79/25/896507925.db2.gz XYVDBFLKCMEKNX-WCQYABFASA-N 0 3 302.334 1.164 20 5 DDBDHN CN1CCC2(CN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1=O ZINC001254611074 896529856 /nfs/dbraw/zinc/52/98/56/896529856.db2.gz UMBTVJBJPUROBV-AWEZNQCLSA-N 0 3 301.346 1.226 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@@H](O)[C@H](O)C3)s2)cc1 ZINC000278435396 214151744 /nfs/dbraw/zinc/15/17/44/214151744.db2.gz UQKGWDYLRUQTNG-ZIAGYGMSSA-N 0 3 320.370 1.861 20 5 DDBDHN C[C@H](NCCCS(=O)(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000451109818 231011449 /nfs/dbraw/zinc/01/14/49/231011449.db2.gz ZGBUYCQCDFKLHP-NSHDSACASA-N 0 3 315.395 1.527 20 5 DDBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000181562071 199317460 /nfs/dbraw/zinc/31/74/60/199317460.db2.gz ZGOFVNJCMWRHLN-STQMWFEESA-N 0 3 310.350 1.445 20 5 DDBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000286647706 219102106 /nfs/dbraw/zinc/10/21/06/219102106.db2.gz BOHVDUBEHJGORS-XHDPSFHLSA-N 0 3 318.377 1.876 20 5 DDBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414682578 530004520 /nfs/dbraw/zinc/00/45/20/530004520.db2.gz YNOGZWIPWYDWBW-ZDUSSCGKSA-N 0 3 320.393 1.224 20 5 DDBDHN CN1CCCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491874426 530053179 /nfs/dbraw/zinc/05/31/79/530053179.db2.gz VODGKKADEZEMHZ-XQRVVYSFSA-N 0 3 307.325 1.911 20 5 DDBDHN CN1CCN(CCC(C)(C)Nc2ncccc2[N+](=O)[O-])CC1 ZINC000302265131 530072211 /nfs/dbraw/zinc/07/22/11/530072211.db2.gz QODOCUDEQVIYQL-UHFFFAOYSA-N 0 3 307.398 1.818 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CCN1C ZINC000330915848 232160999 /nfs/dbraw/zinc/16/09/99/232160999.db2.gz URUDUWLRVLFSNW-VXGBXAGGSA-N 0 3 306.366 1.606 20 5 DDBDHN CCN1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286770072 219157122 /nfs/dbraw/zinc/15/71/22/219157122.db2.gz ZUBHWUABKQBPCV-UONOGXRCSA-N 0 3 323.393 1.361 20 5 DDBDHN Cn1cncc1CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000459379233 233147283 /nfs/dbraw/zinc/14/72/83/233147283.db2.gz PDLGEGNAELSWTK-GFCCVEGCSA-N 0 3 316.365 1.452 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181883895 186214850 /nfs/dbraw/zinc/21/48/50/186214850.db2.gz HQTWBPQFXXAAQZ-JTQLQIEISA-N 0 3 307.306 1.148 20 5 DDBDHN COCCN(C)CCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000041423263 352307327 /nfs/dbraw/zinc/30/73/27/352307327.db2.gz ZWTYRUDJNXFZED-UHFFFAOYSA-N 0 3 309.366 1.601 20 5 DDBDHN C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@@H]1C ZINC000043085834 352360276 /nfs/dbraw/zinc/36/02/76/352360276.db2.gz FKWORRPFEYYIDH-RYUDHWBXSA-N 0 3 309.370 1.170 20 5 DDBDHN O=[N+]([O-])c1c(NC[C@H]2CN3CCC[C@H]3CO2)nc2sccn21 ZINC000064337432 352934274 /nfs/dbraw/zinc/93/42/74/352934274.db2.gz XYHZFJRXEWLBRM-UWVGGRQHSA-N 0 3 323.378 1.579 20 5 DDBDHN CCN1CCC(N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075604573 353370762 /nfs/dbraw/zinc/37/07/62/353370762.db2.gz CORZJJUINLBQNP-UHFFFAOYSA-N 0 3 321.377 1.916 20 5 DDBDHN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccccc1 ZINC000345078490 282918284 /nfs/dbraw/zinc/91/82/84/282918284.db2.gz UTRGWQCULUWIKD-AWEZNQCLSA-N 0 3 316.361 1.966 20 5 DDBDHN COCCCN(C)CCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000175171686 198438933 /nfs/dbraw/zinc/43/89/33/198438933.db2.gz NQEDNZDSGCMDOJ-UHFFFAOYSA-N 0 3 324.381 1.362 20 5 DDBDHN CN(C)CCn1cc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000127455845 354064753 /nfs/dbraw/zinc/06/47/53/354064753.db2.gz UQOMYRXZEHONAQ-UHFFFAOYSA-N 0 3 321.312 1.744 20 5 DDBDHN CNc1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000320902353 354530063 /nfs/dbraw/zinc/53/00/63/354530063.db2.gz OIMZLUVEUPDCJB-CYBMUJFWSA-N 0 3 318.377 1.947 20 5 DDBDHN Cc1nc(C)c(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000315061517 354490247 /nfs/dbraw/zinc/49/02/47/354490247.db2.gz DKMSAKMRPQLTEV-LLVKDONJSA-N 0 3 311.367 1.015 20 5 DDBDHN C[C@@H](NS(=O)(=O)CCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000601309846 358490571 /nfs/dbraw/zinc/49/05/71/358490571.db2.gz JFAOTZYQTMJTEG-LLVKDONJSA-N 0 3 315.395 1.527 20 5 DDBDHN CO[C@H]1C[C@@H](CN(C)c2nc(C)cc(C)c2[N+](=O)[O-])N(C)C1 ZINC000585783472 354842278 /nfs/dbraw/zinc/84/22/78/354842278.db2.gz CXDXLTLPIXUHOA-STQMWFEESA-N 0 3 308.382 1.762 20 5 DDBDHN C[C@H](CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)N(C)C ZINC000587519530 354883358 /nfs/dbraw/zinc/88/33/58/354883358.db2.gz GRUNWJAQRDBWDI-SECBINFHSA-N 0 3 307.354 1.147 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588862578 354944015 /nfs/dbraw/zinc/94/40/15/354944015.db2.gz GNUWJJLRWMGECZ-KBPBESRZSA-N 0 3 319.361 1.184 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN1CCCC1 ZINC000588867059 354944388 /nfs/dbraw/zinc/94/43/88/354944388.db2.gz IFPMTKKDUBVSPO-GFCCVEGCSA-N 0 3 307.350 1.090 20 5 DDBDHN CN(CC(=O)N1CC[C@H]2CN(C)C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000590046410 355043247 /nfs/dbraw/zinc/04/32/47/355043247.db2.gz CKRSECMEWLYSPC-SWLSCSKDSA-N 0 3 318.377 1.194 20 5 DDBDHN Cc1c(CC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590046692 355043904 /nfs/dbraw/zinc/04/39/04/355043904.db2.gz MMNCGAYGBVSGDE-HIFRSBDPSA-N 0 3 303.362 1.608 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000590444457 355098123 /nfs/dbraw/zinc/09/81/23/355098123.db2.gz LZJTWHXXBUCMKJ-QPUJVOFHSA-N 0 3 308.313 1.092 20 5 DDBDHN CCn1cc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000591766525 355380934 /nfs/dbraw/zinc/38/09/34/355380934.db2.gz CNGGHEWEIDLNMT-UHFFFAOYSA-N 0 3 317.349 1.930 20 5 DDBDHN CC(C)[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCN1 ZINC000592246378 355546670 /nfs/dbraw/zinc/54/66/70/355546670.db2.gz KVIIJKZTDXOYTA-CQSZACIVSA-N 0 3 307.350 1.430 20 5 DDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000592523768 355611781 /nfs/dbraw/zinc/61/17/81/355611781.db2.gz BJHYJOLYUQYSMX-GFCCVEGCSA-N 0 3 306.366 1.147 20 5 DDBDHN CCC[C@@H](C)[C@@H](CO)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000593050202 355780434 /nfs/dbraw/zinc/78/04/34/355780434.db2.gz CUJBHKRQUCRSGD-ZWNOBZJWSA-N 0 3 309.366 1.580 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC3(CC3(F)F)CC2)c1 ZINC000593077857 355788210 /nfs/dbraw/zinc/78/82/10/355788210.db2.gz UOTPHCZTZAYQJF-NSHDSACASA-N 0 3 316.308 1.273 20 5 DDBDHN CS[C@@H]1CN(Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000595403919 356480523 /nfs/dbraw/zinc/48/05/23/356480523.db2.gz NHAPSZBTMISFLL-GXSJLCMTSA-N 0 3 300.384 1.369 20 5 DDBDHN CCC[C@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000236828726 202030107 /nfs/dbraw/zinc/03/01/07/202030107.db2.gz VQMCZWYFMGOJPN-AWEZNQCLSA-N 0 3 306.366 1.371 20 5 DDBDHN CCOC(=O)[C@@H]1CC[C@H](C)N(CCn2ccc([N+](=O)[O-])n2)[C@@H]1C ZINC000595553971 356548151 /nfs/dbraw/zinc/54/81/51/356548151.db2.gz CCCADMYHOMOIBQ-YNEHKIRRSA-N 0 3 324.381 1.843 20 5 DDBDHN CCCc1n[nH]c(C(=O)NC[C@H](N)c2ccccc2)c1[N+](=O)[O-] ZINC000236884746 202050879 /nfs/dbraw/zinc/05/08/79/202050879.db2.gz AJNRBYYKFRIBRM-NSHDSACASA-N 0 3 317.349 1.700 20 5 DDBDHN O=C1CC[C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@H]2N1 ZINC000595744233 356632265 /nfs/dbraw/zinc/63/22/65/356632265.db2.gz UUBOYUKBTWJOIP-SWLSCSKDSA-N 0 3 319.361 1.574 20 5 DDBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)C[C@H]1COCCO1 ZINC000595738480 356629495 /nfs/dbraw/zinc/62/94/95/356629495.db2.gz JDHDEEUXBNLMOU-HNNXBMFYSA-N 0 3 310.350 1.711 20 5 DDBDHN C[C@H](O)[C@H]1CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595767449 356644664 /nfs/dbraw/zinc/64/46/64/356644664.db2.gz XKZTXERIGOUDCY-YNEHKIRRSA-N 0 3 310.350 1.180 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](F)[C@H](N)C1 ZINC000595907457 356700550 /nfs/dbraw/zinc/70/05/50/356700550.db2.gz USQFSRRJIQXFEY-GHMZBOCLSA-N 0 3 310.329 1.213 20 5 DDBDHN CCN1CCN(CCNc2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000596074104 356762822 /nfs/dbraw/zinc/76/28/22/356762822.db2.gz RDSUFTVSGQHQNK-UHFFFAOYSA-N 0 3 308.382 1.653 20 5 DDBDHN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCOC2(CNC2)C1 ZINC000596097840 356770247 /nfs/dbraw/zinc/77/02/47/356770247.db2.gz HLFXJDDYKAGLOA-UHFFFAOYSA-N 0 3 317.301 1.155 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1N1CCC(N2CCCOCC2)CC1 ZINC000596268993 356838686 /nfs/dbraw/zinc/83/86/86/356838686.db2.gz PRGRALJEKOAPHZ-UHFFFAOYSA-N 0 3 320.393 1.989 20 5 DDBDHN C[C@@H](NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000596652052 356942503 /nfs/dbraw/zinc/94/25/03/356942503.db2.gz FQBNJEKXMZKEQX-SECBINFHSA-N 0 3 303.322 1.400 20 5 DDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000597858578 357361178 /nfs/dbraw/zinc/36/11/78/357361178.db2.gz NOXNVAOGPGTAPD-LBPRGKRZSA-N 0 3 320.393 1.996 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000597923778 357383767 /nfs/dbraw/zinc/38/37/67/357383767.db2.gz POQMNVMFRCGDEP-NSHDSACASA-N 0 3 309.370 1.089 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000598342229 357545041 /nfs/dbraw/zinc/54/50/41/357545041.db2.gz KVKWQOOGZHPOQW-CYBMUJFWSA-N 0 3 321.377 1.746 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000598343341 357545681 /nfs/dbraw/zinc/54/56/81/357545681.db2.gz VEHOFCURLGNCHU-GFCCVEGCSA-N 0 3 307.350 1.818 20 5 DDBDHN COC(=O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H]2CCC[C@H]21 ZINC000599659046 358012827 /nfs/dbraw/zinc/01/28/27/358012827.db2.gz OAXNDBFFFKBLNB-MJBXVCDLSA-N 0 3 322.365 1.455 20 5 DDBDHN COC(=O)c1cnc(N(C)C[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000276712126 213061478 /nfs/dbraw/zinc/06/14/78/213061478.db2.gz JJYVVRSKWQBJCY-NSHDSACASA-N 0 3 322.365 1.554 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000600756093 358309147 /nfs/dbraw/zinc/30/91/47/358309147.db2.gz MFDHSBNFFFKHTD-BJJXKVORSA-N 0 3 322.361 1.492 20 5 DDBDHN CN(C)[C@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181200252 199264670 /nfs/dbraw/zinc/26/46/70/199264670.db2.gz CMRTUFXBWUWMDY-JTQLQIEISA-N 0 3 307.306 1.100 20 5 DDBDHN CCOC(=O)c1ccnc(N(CCN(C)C)C(C)C)c1[N+](=O)[O-] ZINC000185440968 199853462 /nfs/dbraw/zinc/85/34/62/199853462.db2.gz UDPKBFUSJLCUDB-UHFFFAOYSA-N 0 3 324.381 1.943 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@H](OC)[C@H]1CCOC1 ZINC000602547147 359038590 /nfs/dbraw/zinc/03/85/90/359038590.db2.gz AIYXGUUQWJEITO-NHYWBVRUSA-N 0 3 310.350 1.745 20 5 DDBDHN O=[N+]([O-])c1ccc(CCNC[C@@H]2CCCCS2(=O)=O)cc1 ZINC000602603552 359067101 /nfs/dbraw/zinc/06/71/01/359067101.db2.gz CPJNFJOZJOVFBZ-AWEZNQCLSA-N 0 3 312.391 1.694 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H](CO)c1ccccc1 ZINC000602772813 359179210 /nfs/dbraw/zinc/17/92/10/359179210.db2.gz KTPUANCEKGVTNH-AWEZNQCLSA-N 0 3 304.350 1.765 20 5 DDBDHN CN(C)CCN(CCc1ccc([N+](=O)[O-])cc1)CC(=O)N(C)C ZINC000602710359 359139789 /nfs/dbraw/zinc/13/97/89/359139789.db2.gz SYYJSONZSXWPIL-UHFFFAOYSA-N 0 3 322.409 1.089 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](CO)c1ccc(F)cc1 ZINC000602804825 359202874 /nfs/dbraw/zinc/20/28/74/359202874.db2.gz GSHPAJVKUWNPRS-CYBMUJFWSA-N 0 3 308.313 1.562 20 5 DDBDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000186879206 200025711 /nfs/dbraw/zinc/02/57/11/200025711.db2.gz FJBBQDJVHUNRMA-RISCZKNCSA-N 0 3 307.350 1.626 20 5 DDBDHN Cn1cc(CN2CCCc3cccc(CN)c32)c([N+](=O)[O-])n1 ZINC000603427669 359633997 /nfs/dbraw/zinc/63/39/97/359633997.db2.gz CVRGXUFWMKBIGW-UHFFFAOYSA-N 0 3 301.350 1.740 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H]1CCCS(=O)(=O)C1 ZINC000565726348 304087111 /nfs/dbraw/zinc/08/71/11/304087111.db2.gz RRMSMFCROGRZGY-FZMZJTMJSA-N 0 3 324.402 1.997 20 5 DDBDHN CC(C)N(C)CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188524330 200261867 /nfs/dbraw/zinc/26/18/67/200261867.db2.gz FKZITVRSUYUZRD-UHFFFAOYSA-N 0 3 307.350 1.525 20 5 DDBDHN NC1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000237792648 202355626 /nfs/dbraw/zinc/35/56/26/202355626.db2.gz CFWRYVNPHRFDBW-UHFFFAOYSA-N 0 3 306.366 1.785 20 5 DDBDHN C[C@]1(O)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000189071995 200344196 /nfs/dbraw/zinc/34/41/96/200344196.db2.gz ZOATZZNGEBCZKP-AWEZNQCLSA-N 0 3 311.313 1.519 20 5 DDBDHN CN(C)C[C@@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000609154022 360268202 /nfs/dbraw/zinc/26/82/02/360268202.db2.gz QXTHTYDUXXOUGY-AWEZNQCLSA-N 0 3 321.377 1.916 20 5 DDBDHN Cc1nc(N2CCCN(C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000610754537 360528105 /nfs/dbraw/zinc/52/81/05/360528105.db2.gz YEBMANHUYWRSSV-CQSZACIVSA-N 0 3 320.393 1.989 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H](C)N2CCCC2)c1[N+](=O)[O-] ZINC000610922160 360572780 /nfs/dbraw/zinc/57/27/80/360572780.db2.gz BCJMNSNUPSNQET-SNVBAGLBSA-N 0 3 309.370 1.655 20 5 DDBDHN NC(=O)c1ccc(CNC2(CO)CCCCC2)c([N+](=O)[O-])c1 ZINC000611463072 360724699 /nfs/dbraw/zinc/72/46/99/360724699.db2.gz SOAGKBFXZFAZKM-UHFFFAOYSA-N 0 3 307.350 1.479 20 5 DDBDHN Cc1ccc(S(=O)(=O)N[C@@H]2CNCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000193415293 201049035 /nfs/dbraw/zinc/04/90/35/201049035.db2.gz IBFCZTBOKJUCHB-JOYOIKCWSA-N 0 3 313.379 1.180 20 5 DDBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000619578934 364070802 /nfs/dbraw/zinc/07/08/02/364070802.db2.gz UZDOEUORQHKZIL-GFCCVEGCSA-N 0 3 306.366 1.855 20 5 DDBDHN CC[C@@H]1CN(C)CCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000619567162 364063224 /nfs/dbraw/zinc/06/32/24/364063224.db2.gz XVGGKCDPTSOELF-GFCCVEGCSA-N 0 3 309.370 1.124 20 5 DDBDHN Cc1nn(C)c(C(=O)N2CC[C@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264609552 204025212 /nfs/dbraw/zinc/02/52/12/204025212.db2.gz ZAUHTSUJIHPXLH-LBPRGKRZSA-N 0 3 321.381 1.337 20 5 DDBDHN CCNC(=O)C[C@@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000284864694 218212705 /nfs/dbraw/zinc/21/27/05/218212705.db2.gz SHEDHWYPUGOGLT-LBPRGKRZSA-N 0 3 309.370 1.172 20 5 DDBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285007078 218253603 /nfs/dbraw/zinc/25/36/03/218253603.db2.gz CUQFTWPTKMWMAR-SNVBAGLBSA-N 0 3 309.370 1.558 20 5 DDBDHN CCNC(=O)C(C)(C)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285115362 218296157 /nfs/dbraw/zinc/29/61/57/218296157.db2.gz KXRMZIVWDOCFKV-SNVBAGLBSA-N 0 3 308.382 1.990 20 5 DDBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285242592 218348302 /nfs/dbraw/zinc/34/83/02/218348302.db2.gz YTCZNHNAMAGKDY-OUAUKWLOSA-N 0 3 309.370 1.414 20 5 DDBDHN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000273000415 210380034 /nfs/dbraw/zinc/38/00/34/210380034.db2.gz REUVRNAYUIJANC-LBPRGKRZSA-N 0 3 303.362 1.904 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@@H](C)C2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000272994084 210373812 /nfs/dbraw/zinc/37/38/12/210373812.db2.gz QJPWEGMZMBLCHK-JTQLQIEISA-N 0 3 321.381 1.651 20 5 DDBDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286510309 219028180 /nfs/dbraw/zinc/02/81/80/219028180.db2.gz MUPSXNNOVVJIHE-CFAIKTRFSA-N 0 3 318.373 1.983 20 5 DDBDHN O=[N+]([O-])c1cccnc1N1CCN(CC2CCOCC2)CC1 ZINC000265480152 285165698 /nfs/dbraw/zinc/16/56/98/285165698.db2.gz HATUJOSRYDPIAU-UHFFFAOYSA-N 0 3 306.366 1.538 20 5 DDBDHN CN(Cc1ccc([N+](=O)[O-])cc1F)C1CCN(CCO)CC1 ZINC000352691090 285231238 /nfs/dbraw/zinc/23/12/38/285231238.db2.gz IOPQPCYDHWLQCK-UHFFFAOYSA-N 0 3 311.357 1.622 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000352802447 285311198 /nfs/dbraw/zinc/31/11/98/285311198.db2.gz DVDCZMFZFCWYNN-NHYWBVRUSA-N 0 3 321.352 1.829 20 5 DDBDHN C[C@H]1CSC[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000352813295 285317560 /nfs/dbraw/zinc/31/75/60/285317560.db2.gz AVQIKMUWDLTGJZ-GWCFXTLKSA-N 0 3 309.391 1.899 20 5 DDBDHN Cc1cc(CN(C)C)cc(NC(=O)c2cc([N+](=O)[O-])nn2C)c1 ZINC000360656149 299713953 /nfs/dbraw/zinc/71/39/53/299713953.db2.gz GFGIJNRKXNIMMA-UHFFFAOYSA-N 0 3 317.349 1.951 20 5 DDBDHN CCN(CC)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000012141570 406835397 /nfs/dbraw/zinc/83/53/97/406835397.db2.gz CCEXJKBBOCVPEK-UHFFFAOYSA-N 0 3 315.395 1.356 20 5 DDBDHN Cc1ccc([C@@H](C)NCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000038047396 406998516 /nfs/dbraw/zinc/99/85/16/406998516.db2.gz PEESOXUXMLHNOD-LLVKDONJSA-N 0 3 300.380 1.989 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000083406341 407082405 /nfs/dbraw/zinc/08/24/05/407082405.db2.gz WZLDGDILAHZJCX-HNNXBMFYSA-N 0 3 324.381 1.451 20 5 DDBDHN CCC[NH2+]CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000054266461 407181115 /nfs/dbraw/zinc/18/11/15/407181115.db2.gz IMMDVDGEZUSWKX-UHFFFAOYSA-N 0 3 321.786 1.526 20 5 DDBDHN CN(CC1CCN(C)CC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000103451304 407339599 /nfs/dbraw/zinc/33/95/99/407339599.db2.gz BEKZNHDVCGTNLY-UHFFFAOYSA-N 0 3 324.356 1.730 20 5 DDBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000271042073 407483385 /nfs/dbraw/zinc/48/33/85/407483385.db2.gz RCYKWEAFCAQJEY-GFCCVEGCSA-N 0 3 323.397 1.370 20 5 DDBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000112926043 407448246 /nfs/dbraw/zinc/44/82/46/407448246.db2.gz DFCRFQKHCCEZLN-UHFFFAOYSA-N 0 3 310.310 1.493 20 5 DDBDHN CN(C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000152200301 407584327 /nfs/dbraw/zinc/58/43/27/407584327.db2.gz IKGUCWPWFGOIED-LLVKDONJSA-N 0 3 314.345 1.919 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000271122567 407525969 /nfs/dbraw/zinc/52/59/69/407525969.db2.gz LBYGTYVTOWNOMU-VHSXEESVSA-N 0 3 315.420 1.774 20 5 DDBDHN C[C@H]1OCC[C@@]1(O)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000227977221 407642655 /nfs/dbraw/zinc/64/26/55/407642655.db2.gz JYKBOZVLCMESBX-NOZJJQNGSA-N 0 3 300.742 1.878 20 5 DDBDHN CCCC[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000236677468 407750703 /nfs/dbraw/zinc/75/07/03/407750703.db2.gz VUQHGIHRKNCPEN-NSHDSACASA-N 0 3 315.395 1.699 20 5 DDBDHN Cc1c(CC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000272520983 407962203 /nfs/dbraw/zinc/96/22/03/407962203.db2.gz PWWGFRJQIGPQFO-CJNGLKHVSA-N 0 3 317.389 1.998 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000174672430 407975172 /nfs/dbraw/zinc/97/51/72/407975172.db2.gz NWMDFRFEOYCTFL-NEPJUHHUSA-N 0 3 304.350 1.607 20 5 DDBDHN CCOc1ccc(C(=O)N2CCN[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262782433 407928360 /nfs/dbraw/zinc/92/83/60/407928360.db2.gz LSRKCOPXCLNIDQ-GHMZBOCLSA-N 0 3 307.350 1.816 20 5 DDBDHN COc1ccc(CNC(=O)[C@@H](C(C)C)N(C)C)cc1[N+](=O)[O-] ZINC000268379361 408017825 /nfs/dbraw/zinc/01/78/25/408017825.db2.gz YGRVTTVVBYPTNO-CQSZACIVSA-N 0 3 309.366 1.806 20 5 DDBDHN NC(=O)C[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000175267671 408091460 /nfs/dbraw/zinc/09/14/60/408091460.db2.gz GKAKQQJNMYBILV-GFCCVEGCSA-N 0 3 307.350 1.561 20 5 DDBDHN COc1ccc([C@@H](CCO)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000182379359 408140692 /nfs/dbraw/zinc/14/06/92/408140692.db2.gz MUBZOJQVIJKMIC-OAHLLOKOSA-N 0 3 320.349 1.513 20 5 DDBDHN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000273308893 408146861 /nfs/dbraw/zinc/14/68/61/408146861.db2.gz OPSKSRBUNHAMHT-FZMZJTMJSA-N 0 3 320.349 1.419 20 5 DDBDHN CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCN(C)C1 ZINC000151105476 408257157 /nfs/dbraw/zinc/25/71/57/408257157.db2.gz AKIAJQADTDQWAD-LLVKDONJSA-N 0 3 317.349 1.637 20 5 DDBDHN C[C@H](O)[C@@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246311437 408215899 /nfs/dbraw/zinc/21/58/99/408215899.db2.gz GPYKWJJWLXWZFD-BJJXKVORSA-N 0 3 324.377 1.570 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)n1 ZINC000134893601 162089821 /nfs/dbraw/zinc/08/98/21/162089821.db2.gz IPUKQCNMPHFQGS-UKRRQHHQSA-N 0 3 319.409 1.740 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CN(C2CC2)CCO1 ZINC000183463266 408419109 /nfs/dbraw/zinc/41/91/09/408419109.db2.gz NDBDURPREKAWMZ-MRXNPFEDSA-N 0 3 305.378 1.856 20 5 DDBDHN CN(CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000264823087 408547516 /nfs/dbraw/zinc/54/75/16/408547516.db2.gz HRKHUMNYGPVTJM-UHFFFAOYSA-N 0 3 306.366 1.531 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177198746 408549059 /nfs/dbraw/zinc/54/90/59/408549059.db2.gz SKEKEJPYNHMTPE-NWDGAFQWSA-N 0 3 319.361 1.715 20 5 DDBDHN CCOCCN(CC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000264579254 408539812 /nfs/dbraw/zinc/53/98/12/408539812.db2.gz JFEHPWVBFJPQJM-CQSZACIVSA-N 0 3 312.366 1.693 20 5 DDBDHN Cc1nc(N2CCN(CC(C)(C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000275774970 408672129 /nfs/dbraw/zinc/67/21/29/408672129.db2.gz HMYJBLCTNJLTIO-LLVKDONJSA-N 0 3 308.382 1.580 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@](C)(O)CN1CCOCC1 ZINC000183479393 306711332 /nfs/dbraw/zinc/71/13/32/306711332.db2.gz NQJLQMWIGAOYOK-INIZCTEOSA-N 0 3 323.393 1.076 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)[C@H]2C1 ZINC000276337650 408838110 /nfs/dbraw/zinc/83/81/10/408838110.db2.gz HOPWYXVSVWSKNP-HZMBPMFUSA-N 0 3 304.350 1.343 20 5 DDBDHN CCN1CCC(Nc2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000276505703 408871817 /nfs/dbraw/zinc/87/18/17/408871817.db2.gz CXELNLUNRBFCFD-UHFFFAOYSA-N 0 3 308.338 1.673 20 5 DDBDHN CN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000281872231 408944920 /nfs/dbraw/zinc/94/49/20/408944920.db2.gz WJOGMIQPKBERTI-UHFFFAOYSA-N 0 3 320.393 1.351 20 5 DDBDHN CN(CCCN(C)c1c([N+](=O)[O-])ncn1C)Cc1ccco1 ZINC000286256912 408950918 /nfs/dbraw/zinc/95/09/18/408950918.db2.gz DVHSDNKEQLQEGB-UHFFFAOYSA-N 0 3 307.354 1.880 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000287334776 409021498 /nfs/dbraw/zinc/02/14/98/409021498.db2.gz YFWPONMKJCHZQQ-LBPRGKRZSA-N 0 3 320.393 1.875 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](O)CC2)c1 ZINC000293288059 409083300 /nfs/dbraw/zinc/08/33/00/409083300.db2.gz VURYUIXGWSLYMN-UONOGXRCSA-N 0 3 310.350 1.181 20 5 DDBDHN CN(C)CCn1nccc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000293954351 409214041 /nfs/dbraw/zinc/21/40/41/409214041.db2.gz DQYDBTJIYSWONE-UHFFFAOYSA-N 0 3 321.312 1.744 20 5 DDBDHN Cc1cc(OCC(=O)NCC2(N(C)C)CCC2)ccc1[N+](=O)[O-] ZINC000280467093 409316609 /nfs/dbraw/zinc/31/66/09/409316609.db2.gz AWWIHIIYSWPKGF-UHFFFAOYSA-N 0 3 321.377 1.883 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000295337425 409440297 /nfs/dbraw/zinc/44/02/97/409440297.db2.gz NFJOVYBBJPXGCQ-JTQLQIEISA-N 0 3 317.349 1.665 20 5 DDBDHN C[C@H]1CCN(C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000354008303 409596207 /nfs/dbraw/zinc/59/62/07/409596207.db2.gz SCCRHAYUKZANOH-ZDUSSCGKSA-N 0 3 321.377 1.916 20 5 DDBDHN COc1cc(OCC(=O)N[C@H](C)CN(C)C)ccc1[N+](=O)[O-] ZINC000346140345 409814329 /nfs/dbraw/zinc/81/43/29/409814329.db2.gz PDTYBDYVCSCXQZ-SNVBAGLBSA-N 0 3 311.338 1.049 20 5 DDBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C)C1 ZINC000346229196 409871238 /nfs/dbraw/zinc/87/12/38/409871238.db2.gz ROXQSCVDGWXFEA-TUAOUCFPSA-N 0 3 307.350 1.990 20 5 DDBDHN CCN(C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000298038396 410087829 /nfs/dbraw/zinc/08/78/29/410087829.db2.gz GMIGIUUWSBORGX-UHFFFAOYSA-N 0 3 322.365 1.218 20 5 DDBDHN COc1cc(CN(C)C2(CCO)CCOCC2)ccc1[N+](=O)[O-] ZINC000355012546 410239057 /nfs/dbraw/zinc/23/90/57/410239057.db2.gz MVKQWOIJJVVIQE-UHFFFAOYSA-N 0 3 324.377 1.967 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)[C@@H](O)C1 ZINC000351776428 410225949 /nfs/dbraw/zinc/22/59/49/410225949.db2.gz BAXXJDIMACJHPG-MFKMUULPSA-N 0 3 323.349 1.245 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2c2cccnc2)c1 ZINC000346999103 410298639 /nfs/dbraw/zinc/29/86/39/410298639.db2.gz PCXYUSDBCOKDFI-HUUCEWRRSA-N 0 3 317.349 1.384 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCCN1C ZINC000343437272 410452354 /nfs/dbraw/zinc/45/23/54/410452354.db2.gz KYKOCKJMZVDLRB-HZMBPMFUSA-N 0 3 309.341 1.875 20 5 DDBDHN COc1ccc(CNC(=O)NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000298937130 410456560 /nfs/dbraw/zinc/45/65/60/410456560.db2.gz OTLPYSYOFKNAKE-UHFFFAOYSA-N 0 3 322.365 1.497 20 5 DDBDHN C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000330560763 410777610 /nfs/dbraw/zinc/77/76/10/410777610.db2.gz HVPLTSJTTGJUNV-WDEREUQCSA-N 0 3 309.370 1.179 20 5 DDBDHN C[C@@]1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000129163656 196024437 /nfs/dbraw/zinc/02/44/37/196024437.db2.gz VJHOMNOWNJQNGE-CYBMUJFWSA-N 0 3 313.379 1.263 20 5 DDBDHN Cc1ccc2c(c1)CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000361848651 418718432 /nfs/dbraw/zinc/71/84/32/418718432.db2.gz AZLXRUAORUQNAY-MRXNPFEDSA-N 0 3 316.361 1.519 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000423062423 227331949 /nfs/dbraw/zinc/33/19/49/227331949.db2.gz NADBCYNSAMDKEY-GWCFXTLKSA-N 0 3 307.350 1.608 20 5 DDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN1C1CC1 ZINC000426996320 419577725 /nfs/dbraw/zinc/57/77/25/419577725.db2.gz ZHQCRMQLSDOWCQ-OAHLLOKOSA-N 0 3 303.362 1.880 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(CC)[C@@H](C)C2)n1 ZINC000427844432 419751574 /nfs/dbraw/zinc/75/15/74/419751574.db2.gz CUKBEFAKMNOQFE-NWDGAFQWSA-N 0 3 323.397 1.756 20 5 DDBDHN CN(C)CCN(Cc1ccccn1)c1c([N+](=O)[O-])ncn1C ZINC000433425723 229207215 /nfs/dbraw/zinc/20/72/15/229207215.db2.gz STIKMLKPKHPOST-UHFFFAOYSA-N 0 3 304.354 1.292 20 5 DDBDHN COC(=O)c1cc(C)nc(NCC2(N(C)C)CC2)c1[N+](=O)[O-] ZINC000419012902 420043073 /nfs/dbraw/zinc/04/30/73/420043073.db2.gz XSBRULVGPYBPIR-UHFFFAOYSA-N 0 3 308.338 1.591 20 5 DDBDHN COc1cc(C(=O)N2C[C@@H](C)NC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000423503970 420063675 /nfs/dbraw/zinc/06/36/75/420063675.db2.gz NFRKKDUUSLZMFN-NXEZZACHSA-N 0 3 307.350 1.734 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCCN(CCCO)C1 ZINC000450619110 420499622 /nfs/dbraw/zinc/49/96/22/420499622.db2.gz UJAOLWPIBIHIGE-LBPRGKRZSA-N 0 3 311.386 1.378 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000440758539 420605588 /nfs/dbraw/zinc/60/55/88/420605588.db2.gz VZIPWBULFZGPIV-NSHDSACASA-N 0 3 315.395 1.473 20 5 DDBDHN CC1(C)CCCN1CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000457052135 420596967 /nfs/dbraw/zinc/59/69/67/420596967.db2.gz ILXRGGVRTLOKSZ-UHFFFAOYSA-N 0 3 306.366 1.781 20 5 DDBDHN CC1(C)CCCN1CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000457054865 420597803 /nfs/dbraw/zinc/59/78/03/420597803.db2.gz MBWJLSCROORSOK-UHFFFAOYSA-N 0 3 306.366 1.781 20 5 DDBDHN C[C@@H](NC1CC1)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000449124477 420955153 /nfs/dbraw/zinc/95/51/53/420955153.db2.gz GMNIKAIVZHQXSM-ZYHUDNBSSA-N 0 3 319.365 1.143 20 5 DDBDHN CCc1ccc(C(=O)N[C@@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000449664700 421052427 /nfs/dbraw/zinc/05/24/27/421052427.db2.gz LPJIEGGGOPEFNN-GFCCVEGCSA-N 0 3 313.304 1.884 20 5 DDBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(=O)[nH]n1 ZINC000560521313 421277563 /nfs/dbraw/zinc/27/75/63/421277563.db2.gz CNXCXTMTLYNNGU-SNVBAGLBSA-N 0 3 304.306 1.820 20 5 DDBDHN CC(COC(=O)CC1CN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000497101944 421362935 /nfs/dbraw/zinc/36/29/35/421362935.db2.gz MHKDDCLJEIQJEO-SECBINFHSA-N 0 3 302.327 1.452 20 5 DDBDHN COc1c(C(=O)NC[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000527245581 421369482 /nfs/dbraw/zinc/36/94/82/421369482.db2.gz VHMZTUXBQIELQR-NSHDSACASA-N 0 3 307.350 1.675 20 5 DDBDHN Nc1nccc(C(=O)NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000548059232 421394517 /nfs/dbraw/zinc/39/45/17/421394517.db2.gz QOEFCMMGDHEKHN-UHFFFAOYSA-N 0 3 307.354 1.178 20 5 DDBDHN C[C@H](CN1CCCCC1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548713602 421465721 /nfs/dbraw/zinc/46/57/21/421465721.db2.gz XGRDLNXIXCWBCH-SNVBAGLBSA-N 0 3 307.354 1.176 20 5 DDBDHN CNc1nccc(C(=O)N[C@H]2CCCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000566923425 421610090 /nfs/dbraw/zinc/61/00/90/421610090.db2.gz IAPSDPPAUXJFHE-NSHDSACASA-N 0 3 321.381 1.634 20 5 DDBDHN CCCN(CCN(C)C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000344869463 272132678 /nfs/dbraw/zinc/13/26/78/272132678.db2.gz GVCYNSFMFPIOFW-UHFFFAOYSA-N 0 3 322.409 1.831 20 5 DDBDHN COCCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000171137955 274019816 /nfs/dbraw/zinc/01/98/16/274019816.db2.gz IFJAYTYGHBUUIA-UHFFFAOYSA-N 0 3 311.338 1.419 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C)CS(C)(=O)=O ZINC000449148624 274498741 /nfs/dbraw/zinc/49/87/41/274498741.db2.gz UBHBUDCAZWKHJU-GHMZBOCLSA-N 0 3 300.380 1.549 20 5 DDBDHN CN1CCC[C@@]2(CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])C2)C1 ZINC000420645861 277072531 /nfs/dbraw/zinc/07/25/31/277072531.db2.gz ZMHJPEYGBHLERZ-MRXNPFEDSA-N 0 3 318.377 1.616 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCS(=O)(=O)C1 ZINC000449164926 278298864 /nfs/dbraw/zinc/29/88/64/278298864.db2.gz RXWMUNHHIRDBJG-AAEUAGOBSA-N 0 3 312.391 1.693 20 5 DDBDHN C[C@H](NC1CC1)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000449124358 279452040 /nfs/dbraw/zinc/45/20/40/279452040.db2.gz GMNIKAIVZHQXSM-CMPLNLGQSA-N 0 3 319.365 1.143 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]([NH3+])C2CC2)c1C ZINC000194730906 281015720 /nfs/dbraw/zinc/01/57/20/281015720.db2.gz FNLJTPZXGYXZAZ-NSHDSACASA-N 0 3 313.379 1.227 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CC3(O)CCOCC3)C2)nc1 ZINC000122284013 281153797 /nfs/dbraw/zinc/15/37/97/281153797.db2.gz KDAXKWINGSMUPZ-GFCCVEGCSA-N 0 3 322.365 1.018 20 5 DDBDHN CN1CCC(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000125193439 281203649 /nfs/dbraw/zinc/20/36/49/281203649.db2.gz ARVVVIYUNBBVRI-UHFFFAOYSA-N 0 3 318.377 1.757 20 5 DDBDHN CN(C)[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000264003217 289384857 /nfs/dbraw/zinc/38/48/57/289384857.db2.gz SXQKQZLATBERRL-JTQLQIEISA-N 0 3 321.333 1.142 20 5 DDBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000355212669 298675188 /nfs/dbraw/zinc/67/51/88/298675188.db2.gz OUTWHGCVWXCHBD-UHFFFAOYSA-N 0 3 309.366 1.553 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C[C@@H]21 ZINC000362290459 300045103 /nfs/dbraw/zinc/04/51/03/300045103.db2.gz RVCCBSIBDURWLK-MFKMUULPSA-N 0 3 304.350 1.343 20 5 DDBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000363874436 300319714 /nfs/dbraw/zinc/31/97/14/300319714.db2.gz JESNGQPTZPVPSG-LLVKDONJSA-N 0 3 304.350 1.737 20 5 DDBDHN O=C1CC[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C2CC2)N1 ZINC000367459754 300847840 /nfs/dbraw/zinc/84/78/40/300847840.db2.gz VRYWVAQQALLLRV-SQWLQELKSA-N 0 3 319.361 1.275 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000368504817 301043276 /nfs/dbraw/zinc/04/32/76/301043276.db2.gz SDICCRDUEXHITK-XJKSGUPXSA-N 0 3 319.361 1.750 20 5 DDBDHN COc1ccc(CN2CCCN([C@@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000368953016 301109344 /nfs/dbraw/zinc/10/93/44/301109344.db2.gz ZGYQZQFTUINXQY-ZDUSSCGKSA-N 0 3 323.393 1.492 20 5 DDBDHN O=C1O[C@H](CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC12CC2 ZINC000373220279 307181980 /nfs/dbraw/zinc/18/19/80/307181980.db2.gz NDBYWDFLMSNLEM-LBPRGKRZSA-N 0 3 320.349 1.524 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCC[C@H](CO)C2)c1 ZINC000374047163 307200580 /nfs/dbraw/zinc/20/05/80/307200580.db2.gz ANYIWNKVDZIZNQ-ZFWWWQNUSA-N 0 3 324.377 1.429 20 5 DDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000376561813 307247741 /nfs/dbraw/zinc/24/77/41/307247741.db2.gz JVNMMLWPZZGIOK-FZMZJTMJSA-N 0 3 304.350 1.689 20 5 DDBDHN C[C@H]1COCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000331926358 534024664 /nfs/dbraw/zinc/02/46/64/534024664.db2.gz CUZOQUDSTBRKHI-TZMCWYRMSA-N 0 3 310.350 1.303 20 5 DDBDHN CCN1C[C@@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000459478307 527930450 /nfs/dbraw/zinc/93/04/50/527930450.db2.gz MZXGJZARRJVXGU-BETUJISGSA-N 0 3 308.382 1.171 20 5 DDBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1[NH+](C)C ZINC000820774425 606803773 /nfs/dbraw/zinc/80/37/73/606803773.db2.gz CMGXGCBXXNLHJA-ZANVPECISA-N 0 3 317.353 1.161 20 5 DDBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1[NH+](C)C ZINC000820774425 606803775 /nfs/dbraw/zinc/80/37/75/606803775.db2.gz CMGXGCBXXNLHJA-ZANVPECISA-N 0 3 317.353 1.161 20 5 DDBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119720565 696684496 /nfs/dbraw/zinc/68/44/96/696684496.db2.gz PPRQOBCDFANQAY-VIFPVBQESA-N 0 3 321.424 1.665 20 5 DDBDHN Cc1cc(CN(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)no1 ZINC000985431194 697510107 /nfs/dbraw/zinc/51/01/07/697510107.db2.gz NGKYUQVOFVWYSQ-ZIAGYGMSSA-N 0 3 322.365 1.071 20 5 DDBDHN O=C1OCC[C@@H]1CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246983624 698359008 /nfs/dbraw/zinc/35/90/08/698359008.db2.gz QAGWSUMBXJLCBW-RYUDHWBXSA-N 0 3 320.349 1.429 20 5 DDBDHN Cc1cc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(N)n1 ZINC000757993158 700679790 /nfs/dbraw/zinc/67/97/90/700679790.db2.gz CTZQBMNKTQWXSN-SNVBAGLBSA-N 0 3 315.337 1.361 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2[C@@H](O)c2ccccc2)n1 ZINC000879244226 706627199 /nfs/dbraw/zinc/62/71/99/706627199.db2.gz PHSWNPLSDZTMLH-ZBFHGGJFSA-N 0 3 316.361 1.989 20 5 DDBDHN CN1CCN(C2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000866213802 706650985 /nfs/dbraw/zinc/65/09/85/706650985.db2.gz YWBCMMZBURHZDI-UHFFFAOYSA-N 0 3 323.372 1.345 20 5 DDBDHN Cc1cc(F)cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000816953610 702237266 /nfs/dbraw/zinc/23/72/66/702237266.db2.gz KJWUOKUPMYUVMQ-GWCFXTLKSA-N 0 3 307.325 1.818 20 5 DDBDHN CC(COC(=O)c1cccc(NC(=O)NC2CC2)c1)[N+](=O)[O-] ZINC000813102194 702290804 /nfs/dbraw/zinc/29/08/04/702290804.db2.gz PCGIUWFFEIVIFA-VIFPVBQESA-N 0 3 307.306 1.793 20 5 DDBDHN CC(COC(=O)CCC(=O)c1ccc(Cl)cn1)[N+](=O)[O-] ZINC000813102663 702291286 /nfs/dbraw/zinc/29/12/86/702291286.db2.gz IJOPFMOHMNXPFT-QMMMGPOBSA-N 0 3 300.698 1.906 20 5 DDBDHN CC(COC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C)[N+](=O)[O-] ZINC000813109840 702296257 /nfs/dbraw/zinc/29/62/57/702296257.db2.gz POZPATPCBNFQOY-NXEZZACHSA-N 0 3 316.354 1.840 20 5 DDBDHN COc1ccccc1N1C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813113396 702298415 /nfs/dbraw/zinc/29/84/15/702298415.db2.gz CYQAGWWUALHKPN-WDEREUQCSA-N 0 3 322.317 1.257 20 5 DDBDHN CC(COC(=O)CSc1ccc2c(c1)OCCO2)[N+](=O)[O-] ZINC000813114188 702299303 /nfs/dbraw/zinc/29/93/03/702299303.db2.gz ZTFOKTUNDUBCNT-VIFPVBQESA-N 0 3 313.331 1.758 20 5 DDBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H](CO)c1cnn(C)c1 ZINC000866310962 706670790 /nfs/dbraw/zinc/67/07/90/706670790.db2.gz HPIAFCDOPFTEGC-HZMBPMFUSA-N 0 3 322.340 1.722 20 5 DDBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H](C)S(C)(=O)=O ZINC000866311143 706671037 /nfs/dbraw/zinc/67/10/37/706671037.db2.gz QWRCFRPGHZJDRE-ZJUUUORDSA-N 0 3 318.370 1.688 20 5 DDBDHN CC(COC(=O)c1cccc(S(=O)(=O)C(F)F)c1)[N+](=O)[O-] ZINC000817739997 702466603 /nfs/dbraw/zinc/46/66/03/702466603.db2.gz TYZRZYJWWSVSLW-SSDOTTSWSA-N 0 3 323.273 1.505 20 5 DDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1N1CCOCC1 ZINC000842801092 702776052 /nfs/dbraw/zinc/77/60/52/702776052.db2.gz BLMYIQXJTZYSDQ-GFCCVEGCSA-N 0 3 308.334 1.654 20 5 DDBDHN COC(=O)CC[C@@H](N)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000843495468 702893709 /nfs/dbraw/zinc/89/37/09/702893709.db2.gz SDCSDMYQQGYODU-LLVKDONJSA-N 0 3 321.333 1.073 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(C3(O)CC3)CC2)c1 ZINC000844363060 703019783 /nfs/dbraw/zinc/01/97/83/703019783.db2.gz NFGAHKSZAMESFD-HNNXBMFYSA-N 0 3 306.362 1.865 20 5 DDBDHN CC(COC(=O)CC1(Cn2cnnn2)CCCCC1)[N+](=O)[O-] ZINC000845577862 703177500 /nfs/dbraw/zinc/17/75/00/703177500.db2.gz ZADXWGDYJKFPMR-LLVKDONJSA-N 0 3 311.342 1.222 20 5 DDBDHN CC(=O)N(C)CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845878047 703211674 /nfs/dbraw/zinc/21/16/74/703211674.db2.gz SSYWRYGSBJKDJA-YMTOWFKASA-N 0 3 312.297 1.554 20 5 DDBDHN CC([C@@H](OC(=O)[C@@H]1CCN(C)C1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845878082 703211788 /nfs/dbraw/zinc/21/17/88/703211788.db2.gz QNHLDYZSEQBEMZ-IRUJWGPZSA-N 0 3 324.308 1.554 20 5 DDBDHN CC(COC(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1)[N+](=O)[O-] ZINC000851037232 703774938 /nfs/dbraw/zinc/77/49/38/703774938.db2.gz SSFROPVLGPAEAQ-MNOVXSKESA-N 0 3 324.308 1.777 20 5 DDBDHN Cc1nc([C@@H]2CCOC2)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000870376345 704014800 /nfs/dbraw/zinc/01/48/00/704014800.db2.gz GUJPYCGKYYPURF-IONNQARKSA-N 0 3 300.336 1.777 20 5 DDBDHN CCn1cccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1=O ZINC000819272416 704098432 /nfs/dbraw/zinc/09/84/32/704098432.db2.gz VEQLNKLFWUAPHO-HNNXBMFYSA-N 0 3 317.345 1.600 20 5 DDBDHN CO[C@@H]1CN(C)[C@](C)(COC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000861338953 705433178 /nfs/dbraw/zinc/43/31/78/705433178.db2.gz KMKMRHBCANVRCQ-ZFWWWQNUSA-N 0 3 308.334 1.861 20 5 DDBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1CCN(C2CC2)C1 ZINC000865006259 706323851 /nfs/dbraw/zinc/32/38/51/706323851.db2.gz HGPWXLSHZCGZIP-LLVKDONJSA-N 0 3 307.325 1.629 20 5 DDBDHN O=[N+]([O-])c1cc(CO)c(N2CC[C@@H](N3CC=CC3)C2)cc1F ZINC000865561579 706464100 /nfs/dbraw/zinc/46/41/00/706464100.db2.gz NRMFZUFMGNGRRU-GFCCVEGCSA-N 0 3 307.325 1.677 20 5 DDBDHN NC(=O)[C@H](F)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000879044769 706571428 /nfs/dbraw/zinc/57/14/28/706571428.db2.gz FYNCATUVCWIMFA-CQSZACIVSA-N 0 3 309.341 1.673 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](c2nccs2)C1 ZINC000880320732 706939814 /nfs/dbraw/zinc/93/98/14/706939814.db2.gz XKZZAWVFFHOCTR-LLVKDONJSA-N 0 3 320.374 1.703 20 5 DDBDHN O=C(OCCN1CCCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838287674 707888577 /nfs/dbraw/zinc/88/85/77/707888577.db2.gz ZXZJIBXHTOLACW-AWEZNQCLSA-N 0 3 308.334 1.657 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCN2CCC(C)(C)C2)n1 ZINC000897249654 708268509 /nfs/dbraw/zinc/26/85/09/708268509.db2.gz YNPKDLJBANSSHQ-UHFFFAOYSA-N 0 3 322.365 1.920 20 5 DDBDHN Cc1ccccc1[C@H](CO)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000886433799 708760415 /nfs/dbraw/zinc/76/04/15/708760415.db2.gz UXPBEQRZQBPZRZ-HNNXBMFYSA-N 0 3 304.350 1.765 20 5 DDBDHN COc1c(O)ccc(CN2C[C@@H](C)N(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000893668092 710770069 /nfs/dbraw/zinc/77/00/69/710770069.db2.gz CXBDJEYSERJQBN-MNOVXSKESA-N 0 3 309.366 1.833 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCN1C1CCOCC1 ZINC000896523832 711738088 /nfs/dbraw/zinc/73/80/88/711738088.db2.gz QYPQENCWBGYVEF-ZDUSSCGKSA-N 0 3 323.397 1.785 20 5 DDBDHN C[C@H]1[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])CCN1C ZINC000913933881 713321864 /nfs/dbraw/zinc/32/18/64/713321864.db2.gz USZZDXSDUPAFSR-NWDGAFQWSA-N 0 3 321.381 1.399 20 5 DDBDHN Cc1nn(C)c(C(=O)NC[C@H](C)N2CCCCC2)c1[N+](=O)[O-] ZINC000920005704 713645729 /nfs/dbraw/zinc/64/57/29/713645729.db2.gz MRJSOHAPGBDTOG-JTQLQIEISA-N 0 3 309.370 1.241 20 5 DDBDHN CN(CC[N+](=O)[O-])CCN1CCN(Cc2ccccc2)CC1 ZINC000930451885 713837987 /nfs/dbraw/zinc/83/79/87/713837987.db2.gz WKXSRTGFLITYBP-UHFFFAOYSA-N 0 3 306.410 1.013 20 5 DDBDHN NC(=O)[C@]12CCC[C@H]1CN(Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000933762184 714667369 /nfs/dbraw/zinc/66/73/69/714667369.db2.gz RUYBYDUMFSHRLF-NHYWBVRUSA-N 0 3 307.325 1.821 20 5 DDBDHN CCN(CC)CC(=O)NCCN(CC)c1ccc([N+](=O)[O-])cc1 ZINC001100543145 734492942 /nfs/dbraw/zinc/49/29/42/734492942.db2.gz SCPZOZJEFUQPJA-UHFFFAOYSA-N 0 3 322.409 1.879 20 5 DDBDHN CS(=O)(=O)[C@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)C1 ZINC001168254027 741848823 /nfs/dbraw/zinc/84/88/23/741848823.db2.gz QPFORDDAXRQMLH-PHIMTYICSA-N 0 3 311.363 1.186 20 5 DDBDHN CN(CCCN(C)c1nn(C)cc1[N+](=O)[O-])Cc1ccco1 ZINC001186380806 744394622 /nfs/dbraw/zinc/39/46/22/744394622.db2.gz NJFSGRSPUBOINO-UHFFFAOYSA-N 0 3 307.354 1.880 20 5 DDBDHN COc1cccc(NCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC001161708634 745601392 /nfs/dbraw/zinc/60/13/92/745601392.db2.gz PBAVJKYRDHGLRD-UHFFFAOYSA-N 0 3 308.382 1.653 20 5 DDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(Cc3cccnc3)CC2)C1 ZINC001169009699 762177795 /nfs/dbraw/zinc/17/77/95/762177795.db2.gz XHNXMEIAZKBSRF-GOEBONIOSA-N 0 3 304.394 1.645 20 5 DDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(CCc3ccncc3)CC2)C1 ZINC001169030245 762186288 /nfs/dbraw/zinc/18/62/88/762186288.db2.gz XHQLMKDKPBVSFI-IRXDYDNUSA-N 0 3 318.421 1.687 20 5 DDBDHN COc1cccnc1N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169040193 762194606 /nfs/dbraw/zinc/19/46/06/762194606.db2.gz YPIAALPEGWSNQR-ZIAGYGMSSA-N 0 3 320.393 1.658 20 5 DDBDHN O=C(CCC(F)F)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001131394063 768111345 /nfs/dbraw/zinc/11/13/45/768111345.db2.gz GIBNEULOPRCTHD-UHFFFAOYSA-N 0 3 301.293 1.846 20 5 DDBDHN COC(=O)[C@H]1CCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001116836105 780565132 /nfs/dbraw/zinc/56/51/32/780565132.db2.gz ZXIJHMAIQXQPAH-NWDGAFQWSA-N 0 3 321.333 1.125 20 5 DDBDHN O=C(COCC1CC1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001154981375 861618454 /nfs/dbraw/zinc/61/84/54/861618454.db2.gz IRAMRQLEJRBABI-UHFFFAOYSA-N 0 3 321.377 1.617 20 5 DDBDHN C[C@H](N)c1ccn(-c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)n1 ZINC001158351063 864596896 /nfs/dbraw/zinc/59/68/96/864596896.db2.gz SNPZHBNDICTOCG-RWCYGVJQSA-N 0 3 302.338 1.728 20 5 DDBDHN C[C@@H](Nc1ncnc2cccc([N+](=O)[O-])c21)[C@@H]1CNCCO1 ZINC001159502433 865361712 /nfs/dbraw/zinc/36/17/12/865361712.db2.gz MXEPXAAQTURTNR-SKDRFNHKSA-N 0 3 303.322 1.327 20 5 DDBDHN O=[N+]([O-])c1c(F)cccc1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001335116693 868075379 /nfs/dbraw/zinc/07/53/79/868075379.db2.gz JMWMXWUYEKKRKK-OLZOCXBDSA-N 0 3 309.341 1.769 20 5 DDBDHN CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC001343630182 872693640 /nfs/dbraw/zinc/69/36/40/872693640.db2.gz ILMRVLKOMZTDBB-CYBMUJFWSA-N 0 3 324.429 1.487 20 5 DDBDHN CC(C)CC(=O)N1CCCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC001344807981 873127198 /nfs/dbraw/zinc/12/71/98/873127198.db2.gz NAGNWAUFFOMTJS-NWDGAFQWSA-N 0 3 300.355 1.622 20 5 DDBDHN O=C(CNC[C@H]1CCCO1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345597262 873450405 /nfs/dbraw/zinc/45/04/05/873450405.db2.gz LFTOJJLIOUFMCU-CQSZACIVSA-N 0 3 305.334 1.206 20 5 DDBDHN C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cc2N)CN2CCC1CC2 ZINC001300609006 877972947 /nfs/dbraw/zinc/97/29/47/877972947.db2.gz DATUVGCAMNLADV-OAHLLOKOSA-N 0 3 304.350 1.391 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCN1CCCO ZINC000452348653 231355881 /nfs/dbraw/zinc/35/58/81/231355881.db2.gz LIZUDGYTNRJYCZ-AWEZNQCLSA-N 0 3 321.377 1.480 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@H]2C1 ZINC000272616696 210015710 /nfs/dbraw/zinc/01/57/10/210015710.db2.gz LHZIWVGJOXKKOY-MFKMUULPSA-N 0 3 304.350 1.343 20 5 DDBDHN C[C@H](CN(C)C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000358518316 299182092 /nfs/dbraw/zinc/18/20/92/299182092.db2.gz JTKSQMYHHSLIOP-LLVKDONJSA-N 0 3 306.366 1.613 20 5 DDBDHN CCS(=O)(=O)NCCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173366147 198207453 /nfs/dbraw/zinc/20/74/53/198207453.db2.gz OIHMBNRYOLKMBC-NSHDSACASA-N 0 3 315.395 1.575 20 5 DDBDHN C[C@@H](CN1CCN(C)CC1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173399858 198210768 /nfs/dbraw/zinc/21/07/68/198210768.db2.gz VAEBQHUEWHQDFD-KBPBESRZSA-N 0 3 306.410 1.881 20 5 DDBDHN CC(=O)NC[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000067412504 353047531 /nfs/dbraw/zinc/04/75/31/353047531.db2.gz SANZDKMMPVOXTM-AWEZNQCLSA-N 0 3 321.377 1.822 20 5 DDBDHN CCN1CCC(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000069371639 353158823 /nfs/dbraw/zinc/15/88/23/353158823.db2.gz SKGVRTPZYVSRGW-UHFFFAOYSA-N 0 3 321.377 1.746 20 5 DDBDHN CCN1CCCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000069575847 353168545 /nfs/dbraw/zinc/16/85/45/353168545.db2.gz YKANNILNMTTXLV-UHFFFAOYSA-N 0 3 321.377 1.700 20 5 DDBDHN CN1CCC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000174021366 198282328 /nfs/dbraw/zinc/28/23/28/198282328.db2.gz BXFNABKTUDGXSK-UHFFFAOYSA-N 0 3 307.350 1.574 20 5 DDBDHN CCOC(=O)c1ccnc(NC[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000077965669 353498180 /nfs/dbraw/zinc/49/81/80/353498180.db2.gz DVFNYKCSQLALLL-NSHDSACASA-N 0 3 322.365 1.920 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCC[C@@H]([NH3+])C1 ZINC000125059151 354044515 /nfs/dbraw/zinc/04/45/15/354044515.db2.gz KJFZNEVUXOQYTB-MNOVXSKESA-N 0 3 313.379 1.451 20 5 DDBDHN Cc1nn(C[C@@H](O)CN(C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000303369520 354462159 /nfs/dbraw/zinc/46/21/59/354462159.db2.gz JTWTWUWOEDDCMG-HNNXBMFYSA-N 0 3 318.377 1.901 20 5 DDBDHN CN(C)CCOCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000318686445 354517249 /nfs/dbraw/zinc/51/72/49/354517249.db2.gz MLWURPCAIPXNIO-UHFFFAOYSA-N 0 3 305.338 1.528 20 5 DDBDHN COC[C@H](C)OC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1C ZINC000319763479 354523373 /nfs/dbraw/zinc/52/33/73/354523373.db2.gz QJOPVSBWLQNYOX-FZMZJTMJSA-N 0 3 312.366 1.405 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)C[C@H](C)[NH3+] ZINC000320116858 354524965 /nfs/dbraw/zinc/52/49/65/354524965.db2.gz OOMXOIHKIISLFJ-UWVGGRQHSA-N 0 3 301.368 1.307 20 5 DDBDHN Cc1cc(OCC(=O)N2CC[C@@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590045782 355043340 /nfs/dbraw/zinc/04/33/40/355043340.db2.gz WDLCLIMWJLGGEL-IUODEOHRSA-N 0 3 319.361 1.445 20 5 DDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000590445085 355098784 /nfs/dbraw/zinc/09/87/84/355098784.db2.gz MZZOLIKOZFCJBD-AAEUAGOBSA-N 0 3 319.361 1.770 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H]1CCC[C@@H]1O)OCCO2 ZINC000590781541 355176715 /nfs/dbraw/zinc/17/67/15/355176715.db2.gz KZEKDVGBXLDXGR-MFKMUULPSA-N 0 3 308.334 1.617 20 5 DDBDHN Cc1cc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000591740953 355375558 /nfs/dbraw/zinc/37/55/58/355375558.db2.gz NMDMILVFAFLSIK-LBPRGKRZSA-N 0 3 306.322 1.156 20 5 DDBDHN Cc1cc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000591740953 355375559 /nfs/dbraw/zinc/37/55/59/355375559.db2.gz NMDMILVFAFLSIK-LBPRGKRZSA-N 0 3 306.322 1.156 20 5 DDBDHN CN(CCN1CCCCC1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000593514942 355909565 /nfs/dbraw/zinc/90/95/65/355909565.db2.gz HEVZCDQDDUDOND-UHFFFAOYSA-N 0 3 306.366 1.616 20 5 DDBDHN COC(=O)c1cnc(N(C)CCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000593515283 355909856 /nfs/dbraw/zinc/90/98/56/355909856.db2.gz FGHPXVGHMLIWJT-UHFFFAOYSA-N 0 3 322.365 1.699 20 5 DDBDHN CN(CCN1CCCCC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000593883990 356040475 /nfs/dbraw/zinc/04/04/75/356040475.db2.gz PONBUUIECYDYGF-UHFFFAOYSA-N 0 3 321.377 1.918 20 5 DDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CN)C(F)(F)F ZINC000594451342 356221943 /nfs/dbraw/zinc/22/19/43/356221943.db2.gz ROEYNTWLVYUQSA-SECBINFHSA-N 0 3 321.255 1.613 20 5 DDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CN)C(F)(F)F)c1 ZINC000594451997 356222650 /nfs/dbraw/zinc/22/26/50/356222650.db2.gz WLMYJRGCTZZERF-SECBINFHSA-N 0 3 323.296 1.936 20 5 DDBDHN C[C@H](NC[C@]1(OCCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595078208 356378888 /nfs/dbraw/zinc/37/88/88/356378888.db2.gz MVYXKAKWNRVNLJ-SWLSCSKDSA-N 0 3 310.350 1.413 20 5 DDBDHN CCN1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536899 356538709 /nfs/dbraw/zinc/53/87/09/356538709.db2.gz XAMZZABQUBYAQY-LBPRGKRZSA-N 0 3 320.393 1.610 20 5 DDBDHN CC[C@@H](C)[C@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000236905519 202062948 /nfs/dbraw/zinc/06/29/48/202062948.db2.gz JKSBZNFYNNBZHD-DOMZBBRYSA-N 0 3 320.393 1.617 20 5 DDBDHN C[C@]12COC[C@@H]1CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000595758438 356639919 /nfs/dbraw/zinc/63/99/19/356639919.db2.gz MYBJAFYYLDLOPZ-XEZPLFJOSA-N 0 3 322.361 1.303 20 5 DDBDHN C[C@H]1CCCN(CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596076294 356764060 /nfs/dbraw/zinc/76/40/60/356764060.db2.gz OULWAEAKJVESDO-NSHDSACASA-N 0 3 306.366 1.838 20 5 DDBDHN COc1cccc(NCCCN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000596085064 356766466 /nfs/dbraw/zinc/76/64/66/356766466.db2.gz HFINCACFSLAOSZ-UHFFFAOYSA-N 0 3 309.366 1.862 20 5 DDBDHN CC(C)(C)N1CC[C@H]1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000596308734 356852751 /nfs/dbraw/zinc/85/27/51/356852751.db2.gz MKOOVOQOIUEZDU-JTQLQIEISA-N 0 3 306.366 1.978 20 5 DDBDHN CN(C)CCN(CC(=O)N(C)C)Cc1csc([N+](=O)[O-])c1 ZINC000597206531 357092396 /nfs/dbraw/zinc/09/23/96/357092396.db2.gz UPAXGJVTWSIRPO-UHFFFAOYSA-N 0 3 314.411 1.108 20 5 DDBDHN CCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CCN(CC)C1 ZINC000598040929 357438826 /nfs/dbraw/zinc/43/88/26/357438826.db2.gz JKFYCCIUYZAVBY-ZDUSSCGKSA-N 0 3 320.393 1.949 20 5 DDBDHN CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CCN(CC)C1 ZINC000598042567 357439607 /nfs/dbraw/zinc/43/96/07/357439607.db2.gz PSFJWMCSRNONPV-ZDUSSCGKSA-N 0 3 321.377 1.916 20 5 DDBDHN COc1ccc(OCCN2CC[C@H](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000598647127 357669292 /nfs/dbraw/zinc/66/92/92/357669292.db2.gz BUTVSAKFMWVEFV-QWHCGFSZSA-N 0 3 324.377 1.933 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCN[C@H](C(C)C)C2)c1 ZINC000598572010 357637175 /nfs/dbraw/zinc/63/71/75/357637175.db2.gz JXXCZOKYCOZHSI-ZDUSSCGKSA-N 0 3 307.350 1.673 20 5 DDBDHN Cc1cc(NC[C@@H](O)[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000599131718 357825058 /nfs/dbraw/zinc/82/50/58/357825058.db2.gz BDEVOHNTQIVHNA-HZPDHXFCSA-N 0 3 317.345 1.825 20 5 DDBDHN C[C@@H]1C[C@@H]1N1C[C@H](NCCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000602560459 359045737 /nfs/dbraw/zinc/04/57/37/359045737.db2.gz ZSBSGUNAZDOFJD-KYOSRNDESA-N 0 3 303.362 1.736 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000602839809 359228362 /nfs/dbraw/zinc/22/83/62/359228362.db2.gz IVAMJXIHFUMBNX-GJZGRUSLSA-N 0 3 316.361 1.908 20 5 DDBDHN COC(=O)[C@@H]1C[C@@H](C)N(CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602915309 359291954 /nfs/dbraw/zinc/29/19/54/359291954.db2.gz AIFPATSDKNWKKY-PTEHBNRSSA-N 0 3 324.381 1.762 20 5 DDBDHN C[C@](CO)(NC[C@@H](O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602963451 359326204 /nfs/dbraw/zinc/32/62/04/359326204.db2.gz VTUMVNLTHRAUEQ-NWDGAFQWSA-N 0 3 322.283 1.705 20 5 DDBDHN CO[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)[C@@](C)(CO)C1 ZINC000602964532 359327800 /nfs/dbraw/zinc/32/78/00/359327800.db2.gz QZKMVBBUWMCDFW-LSDHHAIUSA-N 0 3 310.350 1.445 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997845 359346758 /nfs/dbraw/zinc/34/67/58/359346758.db2.gz RXEPSEKECZRDHI-ZNMIVQPWSA-N 0 3 321.377 1.382 20 5 DDBDHN C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000186900510 200028779 /nfs/dbraw/zinc/02/87/79/200028779.db2.gz HPDTXANIZJCYTP-FZMZJTMJSA-N 0 3 307.350 1.626 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000604229147 359728698 /nfs/dbraw/zinc/72/86/98/359728698.db2.gz DRQVBEICLPUGJU-SNVBAGLBSA-N 0 3 308.338 1.819 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H]1CCC[C@@H]1OC(F)F ZINC000348519903 283540774 /nfs/dbraw/zinc/54/07/74/283540774.db2.gz GPBIHJBUDPGTPY-QWRGUYRKSA-N 0 3 317.292 1.506 20 5 DDBDHN C[C@H]1CCN(CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610395585 360425055 /nfs/dbraw/zinc/42/50/55/360425055.db2.gz JTBJGWDGXNKHMQ-LBPRGKRZSA-N 0 3 321.377 1.797 20 5 DDBDHN Cc1nc(N2CCCN(C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000610754536 360527810 /nfs/dbraw/zinc/52/78/10/360527810.db2.gz YEBMANHUYWRSSV-AWEZNQCLSA-N 0 3 320.393 1.989 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@H](O)CN2CCC(C)CC2)n1 ZINC000610806952 360541558 /nfs/dbraw/zinc/54/15/58/360541558.db2.gz BFLGXSKCLLEYOE-CYBMUJFWSA-N 0 3 308.382 1.803 20 5 DDBDHN C[C@@H](CO)CCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611146493 360637010 /nfs/dbraw/zinc/63/70/10/360637010.db2.gz QFTYRKHSWDWUAU-LLVKDONJSA-N 0 3 310.350 1.864 20 5 DDBDHN CN(CCCNCc1ccc([N+](=O)[O-])cc1F)S(C)(=O)=O ZINC000611497713 360736943 /nfs/dbraw/zinc/73/69/43/360736943.db2.gz UOIBJQXGMQFARQ-UHFFFAOYSA-N 0 3 319.358 1.105 20 5 DDBDHN C[C@H]1COCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612104200 360921182 /nfs/dbraw/zinc/92/11/82/360921182.db2.gz QTMCVEQIGXTUJV-QWHCGFSZSA-N 0 3 310.350 1.445 20 5 DDBDHN O=[N+]([O-])c1cccc(CN2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000195198604 201358630 /nfs/dbraw/zinc/35/86/30/201358630.db2.gz RRGVGUMAVNWAEA-OAHLLOKOSA-N 0 3 305.378 1.749 20 5 DDBDHN Cc1cc(OCC(=O)N[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000619536091 364051431 /nfs/dbraw/zinc/05/14/31/364051431.db2.gz IQOMHTJAJVKRLU-LBPRGKRZSA-N 0 3 307.350 1.492 20 5 DDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCN(CC2CCC2)CC1 ZINC000619868429 364167482 /nfs/dbraw/zinc/16/74/82/364167482.db2.gz CUEOGIOYYZPKSQ-UHFFFAOYSA-N 0 3 321.381 1.126 20 5 DDBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000359223197 299363453 /nfs/dbraw/zinc/36/34/53/299363453.db2.gz HRHVIYOEYKUGJY-GFCCVEGCSA-N 0 3 304.350 1.631 20 5 DDBDHN COc1cc(C(=O)N2CC[C@H](N(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000265960783 205000584 /nfs/dbraw/zinc/00/05/84/205000584.db2.gz QHDBBTJLIUNHHB-NSHDSACASA-N 0 3 323.349 1.388 20 5 DDBDHN COC(=O)CC[C@@H](N)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000288507488 220186558 /nfs/dbraw/zinc/18/65/58/220186558.db2.gz BQLGDWCWDQEJKD-ZYHUDNBSSA-N 0 3 323.349 1.361 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)CN1CCCCC1 ZINC000159926848 197374216 /nfs/dbraw/zinc/37/42/16/197374216.db2.gz PCZAWUJCESYYMS-OAHLLOKOSA-N 0 3 321.377 1.100 20 5 DDBDHN COc1ccc(NC(=O)CCN2CC[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000267767609 206268642 /nfs/dbraw/zinc/26/86/42/206268642.db2.gz GBAIXFMVJSLITO-LBPRGKRZSA-N 0 3 323.349 1.653 20 5 DDBDHN Cc1c([C@@H](C)NC[C@@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000268733121 206934374 /nfs/dbraw/zinc/93/43/74/206934374.db2.gz CSJVQZHHOHTWMV-NEPJUHHUSA-N 0 3 312.391 1.989 20 5 DDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)N(C)C1CC1 ZINC000057716083 184049794 /nfs/dbraw/zinc/04/97/94/184049794.db2.gz DJPKKWJZXHLVKP-LLVKDONJSA-N 0 3 320.393 1.873 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000567796241 304242925 /nfs/dbraw/zinc/24/29/25/304242925.db2.gz MDQJISUIVLKWBF-XPKDYRNWSA-N 0 3 322.361 1.445 20 5 DDBDHN CS(=O)(=O)CCCCNCc1ccc([N+](=O)[O-])cc1F ZINC000424166827 533349904 /nfs/dbraw/zinc/34/99/04/533349904.db2.gz BMCOXUPTVIARKN-UHFFFAOYSA-N 0 3 304.343 1.648 20 5 DDBDHN Cc1n[nH]c(C(=O)NC[C@@H](C)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000299580597 533665938 /nfs/dbraw/zinc/66/59/38/533665938.db2.gz OUIPJXMXWLYCHY-SNVBAGLBSA-N 0 3 309.370 1.477 20 5 DDBDHN CN1CCN(C)[C@H](CNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000084440146 407088807 /nfs/dbraw/zinc/08/88/07/407088807.db2.gz RSLZBGNXMYPYJE-CYBMUJFWSA-N 0 3 312.801 1.584 20 5 DDBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCO2 ZINC000090539701 407170526 /nfs/dbraw/zinc/17/05/26/407170526.db2.gz FNWLMXDOYDCKLM-SNVBAGLBSA-N 0 3 304.306 1.871 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)N(C)C1CC1 ZINC000057700545 407217255 /nfs/dbraw/zinc/21/72/55/407217255.db2.gz HCZBRRPWHKGVRK-JTQLQIEISA-N 0 3 309.370 1.089 20 5 DDBDHN COc1cc(C(=O)N(C)CCN2CCCC2)ccc1[N+](=O)[O-] ZINC000103116746 407331702 /nfs/dbraw/zinc/33/17/02/407331702.db2.gz QGDYIROEYQFSRX-UHFFFAOYSA-N 0 3 307.350 1.771 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)CN1CCCCC1 ZINC000122659638 407307553 /nfs/dbraw/zinc/30/75/53/407307553.db2.gz KSYSPVSSVAQZLG-NSHDSACASA-N 0 3 309.370 1.090 20 5 DDBDHN CCN1CCN([C@@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000107370930 407374510 /nfs/dbraw/zinc/37/45/10/407374510.db2.gz MKRRVXYLENUTDP-QGZVFWFLSA-N 0 3 318.421 1.807 20 5 DDBDHN CC[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N(C)C ZINC000125263645 407383022 /nfs/dbraw/zinc/38/30/22/407383022.db2.gz FNHHSCWJWNPDRP-DGCLKSJQSA-N 0 3 321.381 1.343 20 5 DDBDHN CCCCN(C)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000112309914 407425914 /nfs/dbraw/zinc/42/59/14/407425914.db2.gz BYARJJALHKYELY-UHFFFAOYSA-N 0 3 308.382 1.855 20 5 DDBDHN CN1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000271010062 407467756 /nfs/dbraw/zinc/46/77/56/407467756.db2.gz HRPAKSSVAWNYND-UHFFFAOYSA-N 0 3 306.366 1.220 20 5 DDBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000271042075 407485339 /nfs/dbraw/zinc/48/53/39/407485339.db2.gz RCYKWEAFCAQJEY-LBPRGKRZSA-N 0 3 323.397 1.370 20 5 DDBDHN CC(C)OC(=O)C[C@@H](NC(=O)[C@H](C)N)c1ccccc1[N+](=O)[O-] ZINC000151857077 407513651 /nfs/dbraw/zinc/51/36/51/407513651.db2.gz BWAXXYVZYFQEFT-CMPLNLGQSA-N 0 3 323.349 1.441 20 5 DDBDHN COc1cc(C(=O)NC[C@H]2CCN(C)C2)cc([N+](=O)[O-])c1OC ZINC000265950218 407521704 /nfs/dbraw/zinc/52/17/04/407521704.db2.gz MGSWJNOHXVJWLC-SNVBAGLBSA-N 0 3 323.349 1.294 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC2(c3ccccc3)CC2)c1 ZINC000266730802 407613267 /nfs/dbraw/zinc/61/32/67/407613267.db2.gz KMMHIKBNHPJQJN-AWEZNQCLSA-N 0 3 302.334 1.431 20 5 DDBDHN O=[N+]([O-])c1cccc(Br)c1OC[C@@H]1CNCCO1 ZINC000133526651 407853825 /nfs/dbraw/zinc/85/38/25/407853825.db2.gz UFDBQKZHQXKAPR-QMMMGPOBSA-N 0 3 317.139 1.725 20 5 DDBDHN COC(=O)c1cc(C(=O)N2C[C@@H](C)NC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000272501718 407949674 /nfs/dbraw/zinc/94/96/74/407949674.db2.gz DUIFYYWDEUADPF-ZJUUUORDSA-N 0 3 321.333 1.204 20 5 DDBDHN CC[N@H+](C)CC[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272426292 407914888 /nfs/dbraw/zinc/91/48/88/407914888.db2.gz YHJWFARBMPTXDI-UHFFFAOYSA-N 0 3 301.293 1.755 20 5 DDBDHN CC[N@@H+](C)CC[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272426292 407914891 /nfs/dbraw/zinc/91/48/91/407914891.db2.gz YHJWFARBMPTXDI-UHFFFAOYSA-N 0 3 301.293 1.755 20 5 DDBDHN CCN(C)CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272426292 407914894 /nfs/dbraw/zinc/91/48/94/407914894.db2.gz YHJWFARBMPTXDI-UHFFFAOYSA-N 0 3 301.293 1.755 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000268151144 407916653 /nfs/dbraw/zinc/91/66/53/407916653.db2.gz UQUPASLZXMTSEW-ABAIWWIYSA-N 0 3 318.377 1.877 20 5 DDBDHN C[C@@H](O)CN1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000189553189 408050128 /nfs/dbraw/zinc/05/01/28/408050128.db2.gz CFVYQIUFZHGWTD-ZIAGYGMSSA-N 0 3 323.393 1.361 20 5 DDBDHN Cc1sc(S(=O)(=O)NCCN(C)C(C)C)cc1[N+](=O)[O-] ZINC000155611625 408187737 /nfs/dbraw/zinc/18/77/37/408187737.db2.gz BGNYHJOITJAGGS-UHFFFAOYSA-N 0 3 321.424 1.583 20 5 DDBDHN COCCN(C)CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000263820622 408274594 /nfs/dbraw/zinc/27/45/94/408274594.db2.gz ZWUMBIIVXOLVSI-UHFFFAOYSA-N 0 3 324.381 1.091 20 5 DDBDHN CN(C)[C@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000264005786 408343471 /nfs/dbraw/zinc/34/34/71/408343471.db2.gz IWRBFDFKUWHPOV-AWEZNQCLSA-N 0 3 316.361 1.712 20 5 DDBDHN COCCN1CC[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000264429799 408486750 /nfs/dbraw/zinc/48/67/50/408486750.db2.gz ALRYNXZWEOXSGJ-UZYOAWRESA-N 0 3 319.361 1.445 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CN1C1CC1 ZINC000177081882 408514145 /nfs/dbraw/zinc/51/41/45/408514145.db2.gz XZISOKHRSOTQCL-SCZZXKLOSA-N 0 3 322.340 1.671 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177088008 408516669 /nfs/dbraw/zinc/51/66/69/408516669.db2.gz LOLMANGLGOBSRZ-VXGBXAGGSA-N 0 3 319.361 1.715 20 5 DDBDHN COCCN(C)CCCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000193709929 408740798 /nfs/dbraw/zinc/74/07/98/408740798.db2.gz HOLFWBJAPVQVAC-UHFFFAOYSA-N 0 3 324.381 1.993 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC(O)(c3ccccc3)CC2)n1 ZINC000185486263 408813215 /nfs/dbraw/zinc/81/32/15/408813215.db2.gz NIYVZXLQVDMNRN-UHFFFAOYSA-N 0 3 316.361 1.775 20 5 DDBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C1=CCN(C)CC1 ZINC000276297587 408830933 /nfs/dbraw/zinc/83/09/33/408830933.db2.gz WPCZZJZFXJHZOQ-SNVBAGLBSA-N 0 3 304.350 1.557 20 5 DDBDHN COc1ccc(OCCN2CC[C@@](C)(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000280832182 408843183 /nfs/dbraw/zinc/84/31/83/408843183.db2.gz WCHXAFPVEILBNA-OAHLLOKOSA-N 0 3 323.349 1.180 20 5 DDBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCC(=O)NCC(F)F ZINC000280971105 408866866 /nfs/dbraw/zinc/86/68/66/408866866.db2.gz VLGKZNZSEPLIMM-SNVBAGLBSA-N 0 3 315.320 1.887 20 5 DDBDHN C[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])CN(C)C ZINC000291754080 408917494 /nfs/dbraw/zinc/91/74/94/408917494.db2.gz GBDPCWPNDCNNHJ-QMMMGPOBSA-N 0 3 321.424 1.669 20 5 DDBDHN C[C@@H](O)CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000277482158 408948824 /nfs/dbraw/zinc/94/88/24/408948824.db2.gz CPGBAXREHGDQDY-GHMZBOCLSA-N 0 3 319.365 1.362 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000286859540 409000923 /nfs/dbraw/zinc/00/09/23/409000923.db2.gz CAODNBWOGZVZFX-VIFPVBQESA-N 0 3 312.345 1.480 20 5 DDBDHN CCCN(CCN1CCCC1)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000287631401 409067861 /nfs/dbraw/zinc/06/78/61/409067861.db2.gz ZPRFPSPKEAEOKC-UHFFFAOYSA-N 0 3 323.397 1.434 20 5 DDBDHN CCC[C@]1(CO)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000277755322 409005516 /nfs/dbraw/zinc/00/55/16/409005516.db2.gz LULBGMZOUHTLOJ-OAHLLOKOSA-N 0 3 309.366 1.384 20 5 DDBDHN CS[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1N(C)C ZINC000278165317 409076108 /nfs/dbraw/zinc/07/61/08/409076108.db2.gz ASWWARPGLORLCY-QWHCGFSZSA-N 0 3 321.406 1.953 20 5 DDBDHN CN1CC[C@]2(CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000293584202 409142820 /nfs/dbraw/zinc/14/28/20/409142820.db2.gz ANVNIKKECDORLQ-HNNXBMFYSA-N 0 3 307.325 1.902 20 5 DDBDHN CN(C)CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279160331 409161228 /nfs/dbraw/zinc/16/12/28/409161228.db2.gz PSEAGHWAGAGADK-UHFFFAOYSA-N 0 3 303.721 1.608 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000280463449 409315499 /nfs/dbraw/zinc/31/54/99/409315499.db2.gz FUVYPUHMVFLARJ-CYBMUJFWSA-N 0 3 321.377 1.883 20 5 DDBDHN CNC(=O)[C@]1(C)CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000280518736 409338546 /nfs/dbraw/zinc/33/85/46/409338546.db2.gz CEZIJUVUBXTCQB-OAHLLOKOSA-N 0 3 307.350 1.561 20 5 DDBDHN C[C@@H](CN1CCOCC1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000285176786 409402958 /nfs/dbraw/zinc/40/29/58/409402958.db2.gz BLASBPBJJFAWBI-AWEZNQCLSA-N 0 3 307.394 1.790 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCOC1(C)C ZINC000295270328 409406137 /nfs/dbraw/zinc/40/61/37/409406137.db2.gz RZYSPHYYSLCUGK-ZDUSSCGKSA-N 0 3 323.349 1.699 20 5 DDBDHN CN(CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCN2CCO[C@H]1C2 ZINC000295379977 409455995 /nfs/dbraw/zinc/45/59/95/409455995.db2.gz KJENQXSYSJNPIO-CJNGLKHVSA-N 0 3 321.377 1.379 20 5 DDBDHN CN(C[C@@H](O)COc1ccc([N+](=O)[O-])c2ncccc12)C1CC1 ZINC000324467570 164051189 /nfs/dbraw/zinc/05/11/89/164051189.db2.gz ZFTVOBTWXUSMDM-GFCCVEGCSA-N 0 3 317.345 1.977 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000408055362 164211593 /nfs/dbraw/zinc/21/15/93/164211593.db2.gz XJTSFUXEVPDZAC-LLVKDONJSA-N 0 3 307.354 1.029 20 5 DDBDHN Cc1nn(C)c(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000408130120 164237336 /nfs/dbraw/zinc/23/73/36/164237336.db2.gz SVISMLNEOMLWSX-KOLCDFICSA-N 0 3 309.370 1.191 20 5 DDBDHN CCCN1CCC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000354139156 409689836 /nfs/dbraw/zinc/68/98/36/409689836.db2.gz PKAFJUXRTVJWJH-OAHLLOKOSA-N 0 3 320.393 1.997 20 5 DDBDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000354374214 409806948 /nfs/dbraw/zinc/80/69/48/409806948.db2.gz YUWDZAUKWJWKTG-GFCCVEGCSA-N 0 3 308.382 1.928 20 5 DDBDHN Cc1[nH]nc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346244103 409869697 /nfs/dbraw/zinc/86/96/97/409869697.db2.gz UNHIFFSBEGBRHS-JBLDHEPKSA-N 0 3 321.381 1.429 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346244103 409869707 /nfs/dbraw/zinc/86/97/07/409869707.db2.gz UNHIFFSBEGBRHS-JBLDHEPKSA-N 0 3 321.381 1.429 20 5 DDBDHN COC(=O)c1cnc(N[C@@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000357701778 410194908 /nfs/dbraw/zinc/19/49/08/410194908.db2.gz XSIILHYNWIWGGS-MWLCHTKSSA-N 0 3 308.338 1.671 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)CC(C)C ZINC000355300268 410425025 /nfs/dbraw/zinc/42/50/25/410425025.db2.gz BJVFPVKUIBHGRS-UHFFFAOYSA-N 0 3 308.382 1.958 20 5 DDBDHN C[C@@H]1CN(c2ccncc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000343425655 410442293 /nfs/dbraw/zinc/44/22/93/410442293.db2.gz LOMMRCJCGHTIIF-KGLIPLIRSA-N 0 3 319.409 1.452 20 5 DDBDHN CCCN1CCC[C@H]1CNC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000343538594 410516142 /nfs/dbraw/zinc/51/61/42/410516142.db2.gz CHXKJNGNBQDXCA-JTQLQIEISA-N 0 3 309.370 1.485 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000356293979 410949626 /nfs/dbraw/zinc/94/96/26/410949626.db2.gz ITYNTFMXJRTQDJ-MRXNPFEDSA-N 0 3 318.377 1.856 20 5 DDBDHN C[C@@H]1C[C@@H](CO)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000344117198 410968150 /nfs/dbraw/zinc/96/81/50/410968150.db2.gz BLLUILYXXDOUDF-IPYPFGDCSA-N 0 3 324.377 1.427 20 5 DDBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H](O)C(F)F ZINC000341365971 411024719 /nfs/dbraw/zinc/02/47/19/411024719.db2.gz RRAYGEDYLFSVET-KWQFWETISA-N 0 3 317.292 1.528 20 5 DDBDHN CC[C@H]1CCCCN1CCNC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191814554 222110574 /nfs/dbraw/zinc/11/05/74/222110574.db2.gz TXVVSNCAUGSNFM-LBPRGKRZSA-N 0 3 323.397 1.806 20 5 DDBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000361293308 418620531 /nfs/dbraw/zinc/62/05/31/418620531.db2.gz WNBCFRFCADELGR-FZMZJTMJSA-N 0 3 304.350 1.546 20 5 DDBDHN COC(=O)C[C@]1(NCCOc2ccccc2[N+](=O)[O-])CCOC1 ZINC000362263729 418751334 /nfs/dbraw/zinc/75/13/34/418751334.db2.gz WMTBORSYNBTHII-OAHLLOKOSA-N 0 3 324.333 1.285 20 5 DDBDHN NC(=O)c1ccc(CN2CC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000372155908 418840583 /nfs/dbraw/zinc/84/05/83/418840583.db2.gz HVBCRMVCOPUPMB-JSGCOSHPSA-N 0 3 319.361 1.552 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@](O)(C2CC2)C1 ZINC000365839608 418914638 /nfs/dbraw/zinc/91/46/38/418914638.db2.gz RWJVSIRUOVHXNT-CZUORRHYSA-N 0 3 322.361 1.181 20 5 DDBDHN CC(C)[C@](C)(NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000411729133 419390722 /nfs/dbraw/zinc/39/07/22/419390722.db2.gz UVCJWVLBVFCCJM-HNNXBMFYSA-N 0 3 322.365 1.413 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411622367 419362538 /nfs/dbraw/zinc/36/25/38/419362538.db2.gz SSPCSOVGJBWALQ-SOUVJXGZSA-N 0 3 303.362 1.909 20 5 DDBDHN COC(=O)[C@@H]1CN(C)CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000411915464 419486096 /nfs/dbraw/zinc/48/60/96/419486096.db2.gz ZHDQRJLCOIWNPI-CQSZACIVSA-N 0 3 321.377 1.440 20 5 DDBDHN COc1ccc(C(=O)N(C)C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000421700062 419682992 /nfs/dbraw/zinc/68/29/92/419682992.db2.gz CXXJNMBQJPLKPC-GFCCVEGCSA-N 0 3 307.350 1.770 20 5 DDBDHN CNc1nc(C(=O)N(CCN(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000412248329 419744493 /nfs/dbraw/zinc/74/44/93/419744493.db2.gz AXARCBSGGYPEQV-UHFFFAOYSA-N 0 3 307.354 1.198 20 5 DDBDHN COc1cc(C(=O)N2CCN[C@H](C)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000423606358 420097526 /nfs/dbraw/zinc/09/75/26/420097526.db2.gz KCVYIMWSWXVXJH-MNOVXSKESA-N 0 3 307.350 1.734 20 5 DDBDHN C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H](N)c1ccccc1 ZINC000423891761 420247489 /nfs/dbraw/zinc/24/74/89/420247489.db2.gz BUURMTVJKPAEPY-RISCZKNCSA-N 0 3 317.349 1.244 20 5 DDBDHN C[C@H]1C[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CN1C1CC1 ZINC000420600833 420327908 /nfs/dbraw/zinc/32/79/08/420327908.db2.gz MTBCDJAUEDAGPE-VHSXEESVSA-N 0 3 304.350 1.731 20 5 DDBDHN C[C@@H]1[C@@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C ZINC000444688244 230121430 /nfs/dbraw/zinc/12/14/30/230121430.db2.gz IXNNWQYUAJKGKC-GHMZBOCLSA-N 0 3 303.366 1.996 20 5 DDBDHN CCc1n[nH]c(C(=O)NCCN2CCCC2(C)C)c1[N+](=O)[O-] ZINC000457080687 420604235 /nfs/dbraw/zinc/60/42/35/420604235.db2.gz URPUAIUUIPFCJE-UHFFFAOYSA-N 0 3 309.370 1.485 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-]C[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000440431173 420575279 /nfs/dbraw/zinc/57/52/79/420575279.db2.gz HRRREWGOCJENMZ-SNVBAGLBSA-N 0 3 301.368 1.165 20 5 DDBDHN CC[C@@H]1OCC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000459768488 420868400 /nfs/dbraw/zinc/86/84/00/420868400.db2.gz GGVXBLHHYVGBNM-HIFRSBDPSA-N 0 3 319.361 1.641 20 5 DDBDHN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@H]1CNCCC1(F)F ZINC000493599520 420894339 /nfs/dbraw/zinc/89/43/39/420894339.db2.gz SYNWPIRHXVPXKH-RXNFCKPNSA-N 0 3 311.288 1.721 20 5 DDBDHN C[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])N(C)C ZINC000455447041 421016176 /nfs/dbraw/zinc/01/61/76/421016176.db2.gz YNAKXYHRFPTALE-NSHDSACASA-N 0 3 309.370 1.256 20 5 DDBDHN COC(=O)C1(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000450557147 421210114 /nfs/dbraw/zinc/21/01/14/421210114.db2.gz BMMNJAXMSMMXJE-NSHDSACASA-N 0 3 320.349 1.429 20 5 DDBDHN C[C@@H]1CCCCN1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548059750 421394176 /nfs/dbraw/zinc/39/41/76/421394176.db2.gz XDWMFJIXXWSKNJ-SNVBAGLBSA-N 0 3 307.354 1.176 20 5 DDBDHN CC[C@H]1CCCCN1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548714398 421465415 /nfs/dbraw/zinc/46/54/15/421465415.db2.gz WCSAKWJXGXBNQQ-NSHDSACASA-N 0 3 321.381 1.566 20 5 DDBDHN C[C@@H]1C[C@@H](C)CN(CCSc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000565243510 421597450 /nfs/dbraw/zinc/59/74/50/421597450.db2.gz YWSBREKYFUVBDA-NXEZZACHSA-N 0 3 311.411 2.037 20 5 DDBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1ccc([N+](=O)[O-])cn1 ZINC000517484688 421614564 /nfs/dbraw/zinc/61/45/64/421614564.db2.gz VGKKCMJFIPZISG-LBPRGKRZSA-N 0 3 304.350 1.737 20 5 DDBDHN CN(C)Cc1ccc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000554833192 421662728 /nfs/dbraw/zinc/66/27/28/421662728.db2.gz HRBWKMSPGNTNKF-UHFFFAOYSA-N 0 3 303.322 1.310 20 5 DDBDHN Cc1[nH]nc(C(=O)Nc2cccc3c2CCNC3)c1[N+](=O)[O-] ZINC000571796549 421745907 /nfs/dbraw/zinc/74/59/07/421745907.db2.gz BFGPGKXRFXZFRG-UHFFFAOYSA-N 0 3 301.306 1.524 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000582002825 422085504 /nfs/dbraw/zinc/08/55/04/422085504.db2.gz HNQTXEPPQRPPPT-GHMZBOCLSA-N 0 3 315.395 1.616 20 5 DDBDHN CN1CC[C@H](Nc2ccc(N)c([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000590582371 422319750 /nfs/dbraw/zinc/31/97/50/422319750.db2.gz QUYRIZTUSIZDHK-DZGCQCFKSA-N 0 3 313.361 2.429 20 5 DDBDHN C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCOC1 ZINC000266192282 263611784 /nfs/dbraw/zinc/61/17/84/263611784.db2.gz ZBJITSIISFHXKH-MNOVXSKESA-N 0 3 308.334 1.976 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]2COCC[C@H]21 ZINC000341583123 271128030 /nfs/dbraw/zinc/12/80/30/271128030.db2.gz UISULLXAWUIHOU-TZMCWYRMSA-N 0 3 307.350 1.257 20 5 DDBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CCN(C2CCC2)C1 ZINC000344730678 272102593 /nfs/dbraw/zinc/10/25/93/272102593.db2.gz PHXNXZCKVRYQAQ-LLVKDONJSA-N 0 3 306.366 1.869 20 5 DDBDHN CC(C)(NC(=O)[C@@H](N)CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000345704455 272308901 /nfs/dbraw/zinc/30/89/01/272308901.db2.gz DNNPZLVQLNGRPD-JTQLQIEISA-N 0 3 301.293 1.929 20 5 DDBDHN COc1ccc(CNC(=O)[C@@H](N)CC(F)F)cc1[N+](=O)[O-] ZINC000345727854 272316212 /nfs/dbraw/zinc/31/62/12/272316212.db2.gz VJRCEICPSDBXQG-QMMMGPOBSA-N 0 3 303.265 1.202 20 5 DDBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347231566 272636743 /nfs/dbraw/zinc/63/67/43/272636743.db2.gz ROYRXYWWWGKZLH-GHMZBOCLSA-N 0 3 309.370 1.321 20 5 DDBDHN CCN(C)CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000264892474 276070864 /nfs/dbraw/zinc/07/08/64/276070864.db2.gz KAAZGGWJJHKLIY-UHFFFAOYSA-N 0 3 320.393 1.877 20 5 DDBDHN C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050163264 278360882 /nfs/dbraw/zinc/36/08/82/278360882.db2.gz MYQVJFSRCOCQFD-MNOVXSKESA-N 0 3 313.379 1.261 20 5 DDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C[C@H]1CCCN1C ZINC000420993406 279236218 /nfs/dbraw/zinc/23/62/18/279236218.db2.gz ATBYJVMNQOVPLL-IUODEOHRSA-N 0 3 320.393 1.948 20 5 DDBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000125963391 281221644 /nfs/dbraw/zinc/22/16/44/281221644.db2.gz HCUHFPIWISGYEL-SNVBAGLBSA-N 0 3 324.356 1.920 20 5 DDBDHN COC(=O)C[C@]1(NCCOc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000362276965 300042270 /nfs/dbraw/zinc/04/22/70/300042270.db2.gz DGICKLBTLCXYMN-OAHLLOKOSA-N 0 3 324.333 1.285 20 5 DDBDHN Cc1ccnc(C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000363805850 300310086 /nfs/dbraw/zinc/31/00/86/300310086.db2.gz ZBJJDRLTQBXWBM-UHFFFAOYSA-N 0 3 316.365 1.769 20 5 DDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000364452439 300399089 /nfs/dbraw/zinc/39/90/89/300399089.db2.gz FFKIFNHVHFXAQD-NSHDSACASA-N 0 3 318.377 1.924 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000368595211 301061179 /nfs/dbraw/zinc/06/11/79/301061179.db2.gz SIERBSLNASWEIP-CHWSQXEVSA-N 0 3 321.381 1.042 20 5 DDBDHN COc1ccc(CC(=O)N2C[C@@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000575398929 304726859 /nfs/dbraw/zinc/72/68/59/304726859.db2.gz FRRQNOFWUYOZFC-MNOVXSKESA-N 0 3 307.350 1.355 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377481814 302184065 /nfs/dbraw/zinc/18/40/65/302184065.db2.gz OPIPQXOXQITNGV-HUUCEWRRSA-N 0 3 319.361 1.117 20 5 DDBDHN Cc1nn(C)c(C(=O)N2CCCC23CCN(C)CC3)c1[N+](=O)[O-] ZINC000378351657 302316409 /nfs/dbraw/zinc/31/64/09/302316409.db2.gz WZYLVSIAZGBENU-UHFFFAOYSA-N 0 3 321.381 1.337 20 5 DDBDHN CN(C)[C@]1(CNC(=O)c2cc([N+](=O)[O-])cn2C)CCSC1 ZINC000531366051 303242651 /nfs/dbraw/zinc/24/26/51/303242651.db2.gz HNKXJGAIPWGSTC-ZDUSSCGKSA-N 0 3 312.395 1.100 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000531804459 303257772 /nfs/dbraw/zinc/25/77/72/303257772.db2.gz ZPGCKLGGYGKRCB-XHDPSFHLSA-N 0 3 318.377 1.877 20 5 DDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)N1CCCC[C@@H]1C ZINC000532134479 303276225 /nfs/dbraw/zinc/27/62/25/303276225.db2.gz ZCMFMQXNBZBRBK-RYUDHWBXSA-N 0 3 306.366 1.983 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000533230221 303314340 /nfs/dbraw/zinc/31/43/40/303314340.db2.gz YNSCCJALPQTSGY-JTQLQIEISA-N 0 3 309.370 1.513 20 5 DDBDHN NC(=O)c1cccc([N+](=O)[O-])c1N1CCC[C@H](N2CCCC2)C1 ZINC000420589981 303347765 /nfs/dbraw/zinc/34/77/65/303347765.db2.gz UUCBADTZKPTJKQ-LBPRGKRZSA-N 0 3 318.377 1.758 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H](c3nnc[nH]3)C2)c1 ZINC000366652337 307078787 /nfs/dbraw/zinc/07/87/87/307078787.db2.gz KMPDFEYWEMVKTL-GXTWGEPZSA-N 0 3 317.349 1.626 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@]2(C1)CCCOC2 ZINC000367075220 307084753 /nfs/dbraw/zinc/08/47/53/307084753.db2.gz SZKFUXDBSCDRJF-HNNXBMFYSA-N 0 3 307.350 1.259 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCCCO)cc1 ZINC000570451732 308170048 /nfs/dbraw/zinc/17/00/48/308170048.db2.gz UNKZEQTWGSJJRF-UHFFFAOYSA-N 0 3 316.379 1.121 20 5 DDBDHN C[C@@H](O)C[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576992241 308354730 /nfs/dbraw/zinc/35/47/30/308354730.db2.gz HNBQUBUWMUBQSS-WDEREUQCSA-N 0 3 316.379 1.118 20 5 DDBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccco1 ZINC000578788956 308486332 /nfs/dbraw/zinc/48/63/32/308486332.db2.gz PHGHCSNBFKAFKK-KOLCDFICSA-N 0 3 321.337 1.770 20 5 DDBDHN CC[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccncc1 ZINC000582778295 337153620 /nfs/dbraw/zinc/15/36/20/337153620.db2.gz PZTLDDIQPKLLLL-KBPBESRZSA-N 0 3 305.338 1.288 20 5 DDBDHN O=C1CC[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C2CC2)N1 ZINC000367459752 484538974 /nfs/dbraw/zinc/53/89/74/484538974.db2.gz VRYWVAQQALLLRV-LZWOXQAQSA-N 0 3 319.361 1.275 20 5 DDBDHN Cc1cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)ccc1CN(C)C ZINC000458296400 533954858 /nfs/dbraw/zinc/95/48/58/533954858.db2.gz XGFBVDANNXVMGY-UHFFFAOYSA-N 0 3 317.349 1.800 20 5 DDBDHN NC(=O)c1ccc(CN2CC[C@@H](O)C23CCCC3)c([N+](=O)[O-])c1 ZINC000292587739 534481645 /nfs/dbraw/zinc/48/16/45/534481645.db2.gz CSOCDEPWPDQTHH-CQSZACIVSA-N 0 3 319.361 1.573 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000157291218 527312191 /nfs/dbraw/zinc/31/21/91/527312191.db2.gz RWEKLBAYMSAYKS-DOMZBBRYSA-N 0 3 318.377 1.855 20 5 DDBDHN CN(c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000736859242 599119681 /nfs/dbraw/zinc/11/96/81/599119681.db2.gz XVELZNCXMDJXKQ-LLVKDONJSA-N 0 3 317.353 1.305 20 5 DDBDHN CCC[C@H]1CN(Cn2cc([N+](=O)[O-])cn2)CCN1CCOC ZINC000159791557 697312344 /nfs/dbraw/zinc/31/23/44/697312344.db2.gz NZUSGTMLNJSVBV-ZDUSSCGKSA-N 0 3 311.386 1.182 20 5 DDBDHN CC(C)CC(=O)N1CCC(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000989872165 698811413 /nfs/dbraw/zinc/81/14/13/698811413.db2.gz DRRNAZBOGKRKRZ-UHFFFAOYSA-N 0 3 323.397 1.455 20 5 DDBDHN C[C@@H](CN1CCOCC1)N(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000789334031 699378042 /nfs/dbraw/zinc/37/80/42/699378042.db2.gz FUTRFFVAIWCMTP-BBRMVZONSA-N 0 3 323.393 1.281 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000742058397 699858841 /nfs/dbraw/zinc/85/88/41/699858841.db2.gz BDMDYHXZBOONGU-QWHCGFSZSA-N 0 3 319.361 1.496 20 5 DDBDHN CN(C)C(=O)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839636458 701761410 /nfs/dbraw/zinc/76/14/10/701761410.db2.gz SJTBTCKHEMACLK-OCCSQVGLSA-N 0 3 307.350 1.038 20 5 DDBDHN Cc1nc(-c2ncccn2)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103003 702291324 /nfs/dbraw/zinc/29/13/24/702291324.db2.gz XXRJUPHRPYTZFA-ZETCQYMHSA-N 0 3 308.319 1.731 20 5 DDBDHN CC(COC(=O)c1ccn(-c2ccc(F)cc2F)n1)[N+](=O)[O-] ZINC000813103499 702291966 /nfs/dbraw/zinc/29/19/66/702291966.db2.gz CFZMXLZWWARTPX-MRVPVSSYSA-N 0 3 311.244 1.973 20 5 DDBDHN CC(COC(=O)COc1ccc2ccc(=O)oc2c1)[N+](=O)[O-] ZINC000813105376 702293325 /nfs/dbraw/zinc/29/33/25/702293325.db2.gz YFKKAPVTTKFSTL-SECBINFHSA-N 0 3 307.258 1.380 20 5 DDBDHN CC(COC(=O)CC[C@@H]1Cc2ccccc2NC1=O)[N+](=O)[O-] ZINC000813107630 702294406 /nfs/dbraw/zinc/29/44/06/702294406.db2.gz PNQLMFJQEISXMI-CMPLNLGQSA-N 0 3 306.318 1.786 20 5 DDBDHN CC(C)[C@H](NC(=O)c1cccs1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813110397 702295955 /nfs/dbraw/zinc/29/59/55/702295955.db2.gz ZQSILFSWWXQDJI-KOLCDFICSA-N 0 3 314.363 1.711 20 5 DDBDHN COc1ccccc1-c1nn(C)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112339 702298110 /nfs/dbraw/zinc/29/81/10/702298110.db2.gz FRSDZFAYIHUUJZ-SNVBAGLBSA-N 0 3 319.317 1.918 20 5 DDBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)[N+](=O)[O-] ZINC000813113864 702298249 /nfs/dbraw/zinc/29/82/49/702298249.db2.gz VNERIHATECSFIK-YPMHNXCESA-N 0 3 306.318 1.500 20 5 DDBDHN CCCc1c(C(=O)OCC(C)[N+](=O)[O-])[nH]c(C)c1C(=O)OC ZINC000813115398 702298955 /nfs/dbraw/zinc/29/89/55/702298955.db2.gz QWGQRVMPSLNQKW-QMMMGPOBSA-N 0 3 312.322 1.884 20 5 DDBDHN CCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000843992219 702950290 /nfs/dbraw/zinc/95/02/90/702950290.db2.gz BEAPHMVULYXMGV-LBPRGKRZSA-N 0 3 306.366 1.733 20 5 DDBDHN Cc1c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nnn1C ZINC000845873515 703211465 /nfs/dbraw/zinc/21/14/65/703211465.db2.gz CZOHQWQQFZUAEL-TVQRCGJNSA-N 0 3 322.296 1.826 20 5 DDBDHN CC([C@H](OC(=O)c1cnn(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845882597 703212060 /nfs/dbraw/zinc/21/20/60/703212060.db2.gz OUWCWCVBRZKWMF-UFBFGSQYSA-N 0 3 308.269 1.518 20 5 DDBDHN CC([C@@H](OC(=O)CCn1ccnn1)c1ccccc1F)[N+](=O)[O-] ZINC000845883741 703212284 /nfs/dbraw/zinc/21/22/84/703212284.db2.gz VLXUZQYNVWZUPT-QMTHXVAHSA-N 0 3 322.296 1.757 20 5 DDBDHN CC1(C)C[C@H](O)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000879622168 706741956 /nfs/dbraw/zinc/74/19/56/706741956.db2.gz IHNSPQZQNGNIAU-QWHCGFSZSA-N 0 3 324.377 1.427 20 5 DDBDHN COC(=O)N(C)CCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000853873657 704329017 /nfs/dbraw/zinc/32/90/17/704329017.db2.gz FNMGSABOFMISGK-UHFFFAOYSA-N 0 3 318.333 1.983 20 5 DDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000874834295 705192343 /nfs/dbraw/zinc/19/23/43/705192343.db2.gz QWBCFIGOYMITMK-UONOGXRCSA-N 0 3 304.350 1.486 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874842035 705196613 /nfs/dbraw/zinc/19/66/13/705196613.db2.gz ZNFYMKGSWSYDER-GHMZBOCLSA-N 0 3 307.354 1.189 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874842035 705196615 /nfs/dbraw/zinc/19/66/15/705196615.db2.gz ZNFYMKGSWSYDER-GHMZBOCLSA-N 0 3 307.354 1.189 20 5 DDBDHN CC(COC(=O)C1(NC(=O)OCc2ccccc2)CC1)[N+](=O)[O-] ZINC000860777318 705280164 /nfs/dbraw/zinc/28/01/64/705280164.db2.gz NAFHEYYEVDJCTF-NSHDSACASA-N 0 3 322.317 1.654 20 5 DDBDHN CO[C@H]1CN(C)[C@@](C)(COC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000861352435 705441296 /nfs/dbraw/zinc/44/12/96/705441296.db2.gz JDISQSIEPGTBPT-BXUZGUMPSA-N 0 3 302.371 1.474 20 5 DDBDHN CN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000825844528 705736153 /nfs/dbraw/zinc/73/61/53/705736153.db2.gz MCYCXIWNSHGNLL-CABCVRRESA-N 0 3 319.361 1.323 20 5 DDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ccc([N+](=O)[O-])cc1F ZINC000826677103 705843170 /nfs/dbraw/zinc/84/31/70/705843170.db2.gz IROUMKXSQYYWQK-JTQLQIEISA-N 0 3 310.329 1.290 20 5 DDBDHN O=C(NC[C@@H]1Cc2ccccc2CN1)c1ccc([N+](=O)[O-])o1 ZINC000877345780 706073976 /nfs/dbraw/zinc/07/39/76/706073976.db2.gz BWAPPVARXRNUAR-LBPRGKRZSA-N 0 3 301.302 1.632 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCN2CCC(C)(C)C2)n1 ZINC000890072220 709733516 /nfs/dbraw/zinc/73/35/16/709733516.db2.gz KCAOGCOIUVXVHD-UHFFFAOYSA-N 0 3 309.370 1.273 20 5 DDBDHN CCN1CCCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000910279573 709861509 /nfs/dbraw/zinc/86/15/09/709861509.db2.gz BPCCTTVZPLDKQV-NSHDSACASA-N 0 3 323.397 1.998 20 5 DDBDHN CCN1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000910279573 709861512 /nfs/dbraw/zinc/86/15/12/709861512.db2.gz BPCCTTVZPLDKQV-NSHDSACASA-N 0 3 323.397 1.998 20 5 DDBDHN Cc1ccc(CNC(=O)N2CCN[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000892537244 710454203 /nfs/dbraw/zinc/45/42/03/710454203.db2.gz QGMSIZZBLVEYDN-VXGBXAGGSA-N 0 3 306.366 1.795 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000928440065 713196956 /nfs/dbraw/zinc/19/69/56/713196956.db2.gz AMGROLIEJPFZIE-ZANVPECISA-N 0 3 311.769 2.000 20 5 DDBDHN CN(CCO)CCN(C)c1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000894590743 711198406 /nfs/dbraw/zinc/19/84/06/711198406.db2.gz HAVDIDOTLJEKSY-UHFFFAOYSA-N 0 3 321.299 1.974 20 5 DDBDHN C[C@@H]1COC[C@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000905868333 712170613 /nfs/dbraw/zinc/17/06/13/712170613.db2.gz RPATVSWMOZZJEW-LERXQTSPSA-N 0 3 305.334 1.325 20 5 DDBDHN C[C@H](O)[C@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000929750678 713682390 /nfs/dbraw/zinc/68/23/90/713682390.db2.gz WKNZCSMRERTLMF-XHDPSFHLSA-N 0 3 310.350 1.180 20 5 DDBDHN COCCN(C)CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000931627343 714142072 /nfs/dbraw/zinc/14/20/72/714142072.db2.gz NVLMIROGUDLLCA-HUUCEWRRSA-N 0 3 321.377 1.393 20 5 DDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000923311944 714307626 /nfs/dbraw/zinc/30/76/26/714307626.db2.gz CHSSYZCQOOIWAV-GXTWGEPZSA-N 0 3 319.361 1.669 20 5 DDBDHN C[C@H]1COC[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000932493414 714345618 /nfs/dbraw/zinc/34/56/18/714345618.db2.gz FYFRRPOIRYJCHB-GWCFXTLKSA-N 0 3 305.334 1.108 20 5 DDBDHN Cc1ccc([C@H](C)N2C(=O)N[C@@H](CN(C)C)C2=O)cc1[N+](=O)[O-] ZINC000924795667 714665970 /nfs/dbraw/zinc/66/59/70/714665970.db2.gz YLSIEAWDXAECII-JQWIXIFHSA-N 0 3 320.349 1.446 20 5 DDBDHN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934260299 714778174 /nfs/dbraw/zinc/77/81/74/714778174.db2.gz WDBIAULKMYMJLT-JKSUJKDBSA-N 0 3 323.368 1.765 20 5 DDBDHN C[C@H](NC[C@@H](O)C1(O)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC001197661596 747226221 /nfs/dbraw/zinc/22/62/21/747226221.db2.gz XCWDDHHXGRIVQV-SMDDNHRTSA-N 0 3 310.350 1.148 20 5 DDBDHN CCCSCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001124198142 747717762 /nfs/dbraw/zinc/71/77/62/747717762.db2.gz UPZLDKAQZZMIGL-UHFFFAOYSA-N 0 3 311.407 1.944 20 5 DDBDHN Cc1cnc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001034643044 750625761 /nfs/dbraw/zinc/62/57/61/750625761.db2.gz JHXFJBXKCFGKKL-FDYHWXHSSA-N 0 3 322.365 1.165 20 5 DDBDHN COc1ccnc(N2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169053540 762207809 /nfs/dbraw/zinc/20/78/09/762207809.db2.gz IKMCHHXCOISOHQ-ZIAGYGMSSA-N 0 3 320.393 1.658 20 5 DDBDHN Cc1cc(-n2nncc2CN)c([N+](=O)[O-])cc1Br ZINC001169312151 762335629 /nfs/dbraw/zinc/33/56/29/762335629.db2.gz OUKYMDSDFROAJQ-UHFFFAOYSA-N 0 3 312.127 1.705 20 5 DDBDHN COc1ccc(CNc2cc3c(cc2[N+](=O)[O-])CNC3)nn1 ZINC001169469230 762454994 /nfs/dbraw/zinc/45/49/94/762454994.db2.gz MXAQCIOIYPDATG-UHFFFAOYSA-N 0 3 301.306 1.609 20 5 DDBDHN COCC(=O)N1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001048630699 769594206 /nfs/dbraw/zinc/59/42/06/769594206.db2.gz ORFVPSZKGGKHFI-OKILXGFUSA-N 0 3 319.361 1.131 20 5 DDBDHN CCN(CC)CC(=O)N[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097029738 771600567 /nfs/dbraw/zinc/60/05/67/771600567.db2.gz JVUUEDUBXAZTEN-JOCQHMNTSA-N 0 3 320.393 1.996 20 5 DDBDHN CCN(CC)CC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001110148797 775036102 /nfs/dbraw/zinc/03/61/02/775036102.db2.gz WLLNRVSRAJEVJY-UHFFFAOYSA-N 0 3 320.393 1.997 20 5 DDBDHN CN(C)C1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC001093927309 775221500 /nfs/dbraw/zinc/22/15/00/775221500.db2.gz DWEIGUHCYSKVAM-UHFFFAOYSA-N 0 3 324.356 1.746 20 5 DDBDHN CC(C)N(C)CC(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001110158734 775951664 /nfs/dbraw/zinc/95/16/64/775951664.db2.gz OUAUMZYNCCGQGV-UHFFFAOYSA-N 0 3 321.381 1.391 20 5 DDBDHN CC[C@](N)(CO)N[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173192863 777037696 /nfs/dbraw/zinc/03/76/96/777037696.db2.gz RPKAUCNWWRPPOZ-YMTOWFKASA-N 0 3 315.345 1.320 20 5 DDBDHN CN(CCNc1ccccc1[N+](=O)[O-])C(=O)CN(C)C1CCC1 ZINC001102017188 777798633 /nfs/dbraw/zinc/79/86/33/777798633.db2.gz JWMBVQJVAHOMRW-UHFFFAOYSA-N 0 3 320.393 1.949 20 5 DDBDHN CN(CCNC(=O)Cc1cnc[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001266329906 836128165 /nfs/dbraw/zinc/12/81/65/836128165.db2.gz MGBCLWFHRKXXAF-UHFFFAOYSA-N 0 3 317.349 1.109 20 5 DDBDHN CCCOCC(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001266671902 836633631 /nfs/dbraw/zinc/63/36/31/836633631.db2.gz GOFLSLRDKFKMBD-OKILXGFUSA-N 0 3 321.377 1.758 20 5 DDBDHN Cc1cc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])on1 ZINC001154555019 861212512 /nfs/dbraw/zinc/21/25/12/861212512.db2.gz QJBJUEGGEBKXMR-UHFFFAOYSA-N 0 3 318.333 1.801 20 5 DDBDHN COC(=O)[C@H]1CCC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001326697753 861552907 /nfs/dbraw/zinc/55/29/07/861552907.db2.gz GHZRIBHBYVKNHD-WDEREUQCSA-N 0 3 321.333 1.465 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC001273359636 849662500 /nfs/dbraw/zinc/66/25/00/849662500.db2.gz KXDCVNZLQHSTJW-MFKMUULPSA-N 0 3 305.334 1.380 20 5 DDBDHN COC(=O)c1cnc(N2C[C@H]3CCCN(C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001157266084 863695582 /nfs/dbraw/zinc/69/55/82/863695582.db2.gz NQEOHOJJWFQXQE-MFKMUULPSA-N 0 3 320.349 1.307 20 5 DDBDHN CCCN(CCN1CCCC1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001157389310 863780035 /nfs/dbraw/zinc/78/00/35/863780035.db2.gz DMSMIBNVXSKNLA-UHFFFAOYSA-N 0 3 321.381 1.520 20 5 DDBDHN N[C@H]1CN(C(=O)c2cccc3nc4ccccc4nc32)C[C@H]1F ZINC001157560671 863925919 /nfs/dbraw/zinc/92/59/19/863925919.db2.gz XOVBSBYUVQRKPT-NEPJUHHUSA-N 0 3 310.332 1.904 20 5 DDBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCN[C@H](c2ccccc2)C1 ZINC001157765784 864116125 /nfs/dbraw/zinc/11/61/25/864116125.db2.gz XAGWNZFLIXWDAV-AWEZNQCLSA-N 0 3 314.345 1.688 20 5 DDBDHN C[C@H](Nc1ncc([N+](=O)[O-])c2ccccc21)[C@H]1CNCCO1 ZINC001159497976 865351308 /nfs/dbraw/zinc/35/13/08/865351308.db2.gz PWVLVIOKFAXAHW-IINYFYTJSA-N 0 3 302.334 1.932 20 5 DDBDHN C[C@@H](Nc1nccc2ccc([N+](=O)[O-])cc21)[C@@H]1CNCCO1 ZINC001159497470 865351343 /nfs/dbraw/zinc/35/13/43/865351343.db2.gz IHEKKYNQXGUFDZ-YGRLFVJLSA-N 0 3 302.334 1.932 20 5 DDBDHN COc1cnc(N[C@H]2CCCC[C@@]23CNCCO3)cc1[N+](=O)[O-] ZINC001163644168 868586586 /nfs/dbraw/zinc/58/65/86/868586586.db2.gz AIVCUQKXYLFALV-DZGCQCFKSA-N 0 3 322.365 1.712 20 5 DDBDHN CCOC(=O)c1ccc(-n2nc(CN)cc2C)c([N+](=O)[O-])c1 ZINC001163985833 868846952 /nfs/dbraw/zinc/84/69/52/868846952.db2.gz FGKLSRSCFUDGIW-UHFFFAOYSA-N 0 3 304.306 1.724 20 5 DDBDHN O=[N+]([O-])c1cnc(N2CCN[C@H](c3ccc(O)cc3)C2)c(F)c1 ZINC001164036186 868905243 /nfs/dbraw/zinc/90/52/43/868905243.db2.gz BKLDZXKMHALVBX-AWEZNQCLSA-N 0 3 318.308 1.985 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(NC2CCN(C[C@@H]3CCCO3)CC2)n1 ZINC001306932319 871383900 /nfs/dbraw/zinc/38/39/00/871383900.db2.gz RNFKDNKPUMLNKP-LBPRGKRZSA-N 0 3 309.370 1.384 20 5 DDBDHN C[C@@H](CNC(=O)C[C@H]1CNCCO1)c1ccccc1[N+](=O)[O-] ZINC001341429672 871656888 /nfs/dbraw/zinc/65/68/88/871656888.db2.gz VTKVVDGEOVRJBD-RYUDHWBXSA-N 0 3 307.350 1.193 20 5 DDBDHN COC(=O)[C@]1(C(=O)OCC(C)[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC001348532981 874618734 /nfs/dbraw/zinc/61/87/34/874618734.db2.gz HDSMZCXLQAUQNN-WBIUFABUSA-N 0 3 307.302 1.542 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCN3C[C@H]2C)n1 ZINC000248664418 282097534 /nfs/dbraw/zinc/09/75/34/282097534.db2.gz KYURIMWZMSHPGJ-GHMZBOCLSA-N 0 3 307.354 1.120 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]2CCN(C)[C@H]2C1 ZINC000451637652 231147026 /nfs/dbraw/zinc/14/70/26/231147026.db2.gz YAQZZZUKLTVANR-DOMZBBRYSA-N 0 3 318.377 1.478 20 5 DDBDHN Cc1cc(C(=O)NC[C@@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000452347629 231355048 /nfs/dbraw/zinc/35/50/48/231355048.db2.gz JEQHZWIZBCMJOL-AWEZNQCLSA-N 0 3 321.377 1.480 20 5 DDBDHN Cc1c(C(=O)NC[C@H]2CCCN2CCCO)cccc1[N+](=O)[O-] ZINC000452353502 231358204 /nfs/dbraw/zinc/35/82/04/231358204.db2.gz UPSHHOQMHJLESM-CYBMUJFWSA-N 0 3 321.377 1.480 20 5 DDBDHN CO[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181730093 199344134 /nfs/dbraw/zinc/34/41/34/199344134.db2.gz NNXLKUZEMWOHGU-QWHCGFSZSA-N 0 3 310.350 1.445 20 5 DDBDHN Cc1ccc([C@@H](C)NC[C@@H](O)Cn2cccn2)cc1[N+](=O)[O-] ZINC000181836767 199360137 /nfs/dbraw/zinc/36/01/37/199360137.db2.gz UTQSPQVKAGDAEM-TZMCWYRMSA-N 0 3 304.350 1.811 20 5 DDBDHN Cc1ccc([C@@H](C)NCCN2C(=O)N[C@H](C)C2=O)cc1[N+](=O)[O-] ZINC000459388728 233156285 /nfs/dbraw/zinc/15/62/85/233156285.db2.gz PFINXEZRLVIDKS-GHMZBOCLSA-N 0 3 320.349 1.494 20 5 DDBDHN C[C@H]1[C@@H](N(C)C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000601227818 358456189 /nfs/dbraw/zinc/45/61/89/358456189.db2.gz WPPMBDMHPGURDE-GWCFXTLKSA-N 0 3 320.349 1.084 20 5 DDBDHN Cc1ccc([C@H](C)NC(=O)C(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000177855424 186193872 /nfs/dbraw/zinc/19/38/72/186193872.db2.gz MBQGZNMGOYHGIR-UWVGGRQHSA-N 0 3 314.363 1.514 20 5 DDBDHN C[C@@H]1NCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000262885727 186318954 /nfs/dbraw/zinc/31/89/54/186318954.db2.gz WLDMWPAYTZXIRS-RYUDHWBXSA-N 0 3 307.350 1.573 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)N1CCCC1 ZINC000617350005 363064154 /nfs/dbraw/zinc/06/41/54/363064154.db2.gz UYKUTIJFLUMHPE-NSHDSACASA-N 0 3 307.350 1.818 20 5 DDBDHN CCN1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000041443489 352308273 /nfs/dbraw/zinc/30/82/73/352308273.db2.gz KBWHNLXSARMRHR-UHFFFAOYSA-N 0 3 320.393 1.352 20 5 DDBDHN C[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000074099412 353291551 /nfs/dbraw/zinc/29/15/51/353291551.db2.gz BXVXZPYAQLGVKQ-LBPRGKRZSA-N 0 3 320.393 1.919 20 5 DDBDHN CNc1ccc(C(=O)NC[C@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000075578237 353368585 /nfs/dbraw/zinc/36/85/85/353368585.db2.gz CSAMOGBXVWTENF-JTQLQIEISA-N 0 3 306.366 1.849 20 5 DDBDHN CC(C)NC(=O)c1ccc(N(C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000080685097 353622758 /nfs/dbraw/zinc/62/27/58/353622758.db2.gz BJUMMMGZBHHUCE-UHFFFAOYSA-N 0 3 308.382 1.731 20 5 DDBDHN CCc1nn(C)c(NC2CCN([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000091744565 353835823 /nfs/dbraw/zinc/83/58/23/353835823.db2.gz UGUICOHRSNAADD-LBPRGKRZSA-N 0 3 323.397 1.556 20 5 DDBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC(=O)N(C)C1 ZINC000584787603 354769653 /nfs/dbraw/zinc/76/96/53/354769653.db2.gz GCSDLYHWRCYLRO-CYBMUJFWSA-N 0 3 307.350 1.526 20 5 DDBDHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590402432 355085725 /nfs/dbraw/zinc/08/57/25/355085725.db2.gz UDGVNVRIDJSCJA-HUUCEWRRSA-N 0 3 319.361 1.530 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c1 ZINC000590442946 355097265 /nfs/dbraw/zinc/09/72/65/355097265.db2.gz IGLRAPYLOKYOIF-HZMBPMFUSA-N 0 3 305.334 1.380 20 5 DDBDHN CC[C@@H](C)N1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000590725994 355156766 /nfs/dbraw/zinc/15/67/66/355156766.db2.gz GUMRVYUOWMUNKY-LLVKDONJSA-N 0 3 308.382 1.590 20 5 DDBDHN CCCN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000592247155 355546834 /nfs/dbraw/zinc/54/68/34/355546834.db2.gz SJQGRYPDKDTFAQ-NSHDSACASA-N 0 3 307.354 1.360 20 5 DDBDHN COC(=O)[C@H]1CNCCCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000592434663 355584052 /nfs/dbraw/zinc/58/40/52/355584052.db2.gz LSZXHHJRUAVVLR-CQSZACIVSA-N 0 3 307.350 1.240 20 5 DDBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cn1 ZINC000594195394 356136195 /nfs/dbraw/zinc/13/61/95/356136195.db2.gz GKRZYTBDVXILAL-OCCSQVGLSA-N 0 3 304.350 1.737 20 5 DDBDHN Nc1c(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594419169 356204591 /nfs/dbraw/zinc/20/45/91/356204591.db2.gz OJMRLSQAHZWMIK-CHWSQXEVSA-N 0 3 318.377 1.924 20 5 DDBDHN COc1c(C)cccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000594576847 356254156 /nfs/dbraw/zinc/25/41/56/356254156.db2.gz BJEFOXIOABCHOY-CQSZACIVSA-N 0 3 320.349 1.259 20 5 DDBDHN COCCC1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000594717707 356295487 /nfs/dbraw/zinc/29/54/87/356295487.db2.gz FIQQYTRVADHAHO-AWEZNQCLSA-N 0 3 310.350 1.303 20 5 DDBDHN COc1ccc(CC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000595260516 356423879 /nfs/dbraw/zinc/42/38/79/356423879.db2.gz AMGMMUYAWQWUKL-GHMZBOCLSA-N 0 3 311.313 1.044 20 5 DDBDHN CN(C(=O)CNC1(CCO)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000595508115 356524472 /nfs/dbraw/zinc/52/44/72/356524472.db2.gz HVVWBQWRCQEFET-UHFFFAOYSA-N 0 3 321.377 1.842 20 5 DDBDHN COc1cccc(C(=O)N[C@@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000618210177 363513053 /nfs/dbraw/zinc/51/30/53/363513053.db2.gz SGKBATBAXXJYOA-GFCCVEGCSA-N 0 3 319.361 1.818 20 5 DDBDHN C[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595780370 356649982 /nfs/dbraw/zinc/64/99/82/356649982.db2.gz JMBAMDRQYWRXEN-RDBSUJKOSA-N 0 3 324.377 1.834 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H]2COC[C@H]2C1 ZINC000595836994 356672687 /nfs/dbraw/zinc/67/26/87/356672687.db2.gz ZQIPEGFZQVMEAB-BFHYXJOUSA-N 0 3 322.361 1.303 20 5 DDBDHN CS[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@H]1N1CCCC1 ZINC000596194922 356809524 /nfs/dbraw/zinc/80/95/24/356809524.db2.gz IHJJXTPRKLLWGV-NEPJUHHUSA-N 0 3 323.422 1.588 20 5 DDBDHN CN1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)C1 ZINC000596242837 356829739 /nfs/dbraw/zinc/82/97/39/356829739.db2.gz ARNHOWRHHKRLGP-INIZCTEOSA-N 0 3 318.377 1.616 20 5 DDBDHN CC(C)[C@H]1CN(C)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596134001 356785512 /nfs/dbraw/zinc/78/55/12/356785512.db2.gz BSUIZJBFIPJYAB-CQSZACIVSA-N 0 3 306.366 1.470 20 5 DDBDHN CCOC(=O)c1cc(C(=O)N2CCCNCC2)cc([N+](=O)[O-])c1 ZINC000347528114 283225908 /nfs/dbraw/zinc/22/59/08/283225908.db2.gz YMOPMFMBMBHJCD-UHFFFAOYSA-N 0 3 321.333 1.207 20 5 DDBDHN O=[N+]([O-])c1cnc(N2CCC(N3CCCOCC3)CC2)c(F)c1 ZINC000596268438 356839021 /nfs/dbraw/zinc/83/90/21/356839021.db2.gz KKTZFWVCPFXQDL-UHFFFAOYSA-N 0 3 324.356 1.820 20 5 DDBDHN CCCN1CC[C@@H](Nc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000596517345 356903114 /nfs/dbraw/zinc/90/31/14/356903114.db2.gz NQNOLCCVRDPQSX-LLVKDONJSA-N 0 3 308.338 1.673 20 5 DDBDHN C[C@@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)N(C)C ZINC000597090206 357058799 /nfs/dbraw/zinc/05/87/99/357058799.db2.gz JJCMDYISHXHIPI-ZETCQYMHSA-N 0 3 315.761 1.902 20 5 DDBDHN CC(C)(C)N1CC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000597925376 357384978 /nfs/dbraw/zinc/38/49/78/357384978.db2.gz NXYYDEWXWOKXEJ-LBPRGKRZSA-N 0 3 321.377 1.963 20 5 DDBDHN CC(C)(C)N1CC[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000597920398 357381385 /nfs/dbraw/zinc/38/13/85/357381385.db2.gz BEPWIOJUEBWBCR-NSHDSACASA-N 0 3 323.397 1.515 20 5 DDBDHN CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000598342081 357543795 /nfs/dbraw/zinc/54/37/95/357543795.db2.gz DKUPRFKMUXLSFR-NSHDSACASA-N 0 3 307.350 1.818 20 5 DDBDHN CO[C@H]1C[C@@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000599017379 357795493 /nfs/dbraw/zinc/79/54/93/357795493.db2.gz POVPHKKBPQSPSC-KLPPZKSPSA-N 0 3 308.334 1.881 20 5 DDBDHN CCn1nncc1CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599062875 357805684 /nfs/dbraw/zinc/80/56/84/357805684.db2.gz WIQGPVOKRXNNTE-STQMWFEESA-N 0 3 319.369 1.676 20 5 DDBDHN CC1(C)C[C@@H](NCCN2CC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000599086207 357810899 /nfs/dbraw/zinc/81/08/99/357810899.db2.gz ZJDMZVLBZNWJNP-CZUORRHYSA-N 0 3 319.405 1.973 20 5 DDBDHN CN(C)Cc1ccccc1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000179272033 199008017 /nfs/dbraw/zinc/00/80/17/199008017.db2.gz NWJGSVZAYKQJOT-UHFFFAOYSA-N 0 3 303.322 1.310 20 5 DDBDHN O=C(NC[C@@H]1CCN1C1CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000599766051 358052980 /nfs/dbraw/zinc/05/29/80/358052980.db2.gz IJLOXWIFIPVZJX-LBPRGKRZSA-N 0 3 319.365 1.550 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCNC1(CO)Cc2ccccc2C1 ZINC000602788869 359193118 /nfs/dbraw/zinc/19/31/18/359193118.db2.gz WNIJIEWUCJLVPF-UHFFFAOYSA-N 0 3 316.361 1.219 20 5 DDBDHN Cn1cc(CCCN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC000602734061 359155329 /nfs/dbraw/zinc/15/53/29/359155329.db2.gz XQTLRFMBEUYRRB-MRXNPFEDSA-N 0 3 318.377 1.758 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C(=O)N2CCCC2)C1 ZINC000602829157 359220895 /nfs/dbraw/zinc/22/08/95/359220895.db2.gz QCJWTOODIWIUTP-ZDUSSCGKSA-N 0 3 321.381 1.044 20 5 DDBDHN CN(C)CCn1cc(NC(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000604511304 359759085 /nfs/dbraw/zinc/75/90/85/359759085.db2.gz RYYCVOBIJWLEIP-UHFFFAOYSA-N 0 3 303.322 1.605 20 5 DDBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C)C(=O)N(C)C ZINC000189005103 200333976 /nfs/dbraw/zinc/33/39/76/200333976.db2.gz MXMUNAPCPSCMLY-QWRGUYRKSA-N 0 3 322.365 1.378 20 5 DDBDHN COCCCN1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000608891334 360251434 /nfs/dbraw/zinc/25/14/34/360251434.db2.gz JYPMGJGFBRHBGX-UHFFFAOYSA-N 0 3 324.381 1.164 20 5 DDBDHN COc1ccc(C)cc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610335784 360415874 /nfs/dbraw/zinc/41/58/74/360415874.db2.gz NTEHAKSXPWIHGY-AWEZNQCLSA-N 0 3 320.349 1.259 20 5 DDBDHN COC[C@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610605356 360481098 /nfs/dbraw/zinc/48/10/98/360481098.db2.gz ZMHUPJLJGJBCGV-ZIAGYGMSSA-N 0 3 310.350 1.445 20 5 DDBDHN CN(C)CCn1cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cn1 ZINC000611527153 360748198 /nfs/dbraw/zinc/74/81/98/360748198.db2.gz KAKOPWZKAARBKE-UHFFFAOYSA-N 0 3 318.337 1.187 20 5 DDBDHN CN1CC=C(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000271896107 209305364 /nfs/dbraw/zinc/30/53/64/209305364.db2.gz FVSUGOFXKJUOIR-UHFFFAOYSA-N 0 3 323.324 1.491 20 5 DDBDHN Cc1cccc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)c1[N+](=O)[O-] ZINC000618924040 363803704 /nfs/dbraw/zinc/80/37/04/363803704.db2.gz OWTHCJPENJBDIR-MRXNPFEDSA-N 0 3 321.377 1.432 20 5 DDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000288184247 220004843 /nfs/dbraw/zinc/00/48/43/220004843.db2.gz BSBPXEHBEWNVLH-WCQYABFASA-N 0 3 318.377 1.876 20 5 DDBDHN CN(C)C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000288187996 220006403 /nfs/dbraw/zinc/00/64/03/220006403.db2.gz NIDYBWUPSAVZGM-LLVKDONJSA-N 0 3 321.312 1.490 20 5 DDBDHN CN(C)C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000288187996 220006406 /nfs/dbraw/zinc/00/64/06/220006406.db2.gz NIDYBWUPSAVZGM-LLVKDONJSA-N 0 3 321.312 1.490 20 5 DDBDHN CCN1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000041873581 183223597 /nfs/dbraw/zinc/22/35/97/183223597.db2.gz JMIKWEQIACILKG-UHFFFAOYSA-N 0 3 320.393 1.869 20 5 DDBDHN Cn1nccc1CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000338546993 250024551 /nfs/dbraw/zinc/02/45/51/250024551.db2.gz PXUKNRUXCKGBFZ-LBPRGKRZSA-N 0 3 316.365 1.452 20 5 DDBDHN CN(C)[C@@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000105177106 194081654 /nfs/dbraw/zinc/08/16/54/194081654.db2.gz NBTYYUMJGLGJLU-OAHLLOKOSA-N 0 3 320.393 1.873 20 5 DDBDHN C[C@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000057707203 184048171 /nfs/dbraw/zinc/04/81/71/184048171.db2.gz HQHWSDGEAUWCDK-GFCCVEGCSA-N 0 3 321.377 1.963 20 5 DDBDHN CN(C)CCN(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000156917409 197150074 /nfs/dbraw/zinc/15/00/74/197150074.db2.gz OQSIWENMIHNDMJ-UHFFFAOYSA-N 0 3 302.334 1.777 20 5 DDBDHN C[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000120713243 195221874 /nfs/dbraw/zinc/22/18/74/195221874.db2.gz NQBLQGRGUXLDFF-LBPRGKRZSA-N 0 3 320.393 1.919 20 5 DDBDHN C[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1(F)F ZINC000289783077 221222304 /nfs/dbraw/zinc/22/23/04/221222304.db2.gz LVOHORSOVGMZFO-GXSJLCMTSA-N 0 3 304.297 1.129 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H](O)Cn1ccnn1)CCC2 ZINC000414199939 224311614 /nfs/dbraw/zinc/31/16/14/224311614.db2.gz XBZXGUCBVKUGHF-ZFWWWQNUSA-N 0 3 317.349 1.214 20 5 DDBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@H](CO)[C@@H]1CCCOC1 ZINC000414568975 224354763 /nfs/dbraw/zinc/35/47/63/224354763.db2.gz ZDXJJPZZOIKQIH-CDNPWBLBSA-N 0 3 306.362 1.985 20 5 DDBDHN CC(C)[C@@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269042131 134412807 /nfs/dbraw/zinc/41/28/07/134412807.db2.gz DIESKWIUJKRNAC-CQSZACIVSA-N 0 3 306.366 1.227 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@]1(N(C)C)CCSC1 ZINC000360990197 299788130 /nfs/dbraw/zinc/78/81/30/299788130.db2.gz JNHCASGYNAQSFT-CYBMUJFWSA-N 0 3 313.427 1.969 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CCCC[C@H]1C ZINC000046859979 407065437 /nfs/dbraw/zinc/06/54/37/407065437.db2.gz LXXZMRROCPLQCD-LLVKDONJSA-N 0 3 306.366 1.902 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCN2CCCCC2)c1 ZINC000124415419 407357474 /nfs/dbraw/zinc/35/74/74/407357474.db2.gz UOBBSXYEHMUQKN-UHFFFAOYSA-N 0 3 309.322 1.029 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2C[C@H](O)c2ccco2)n1 ZINC000151793063 407498507 /nfs/dbraw/zinc/49/85/07/407498507.db2.gz OGPODFUSTUFHKG-OLZOCXBDSA-N 0 3 320.349 1.972 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCNC[C@H]2c2cccc(F)c2)n1 ZINC000261694042 407581496 /nfs/dbraw/zinc/58/14/96/407581496.db2.gz JDKBXOKYJMGCRM-AWEZNQCLSA-N 0 3 319.340 1.577 20 5 DDBDHN Cc1nn(C)c(C(=O)N(C)CC2(N(C)C)CCC2)c1[N+](=O)[O-] ZINC000187023847 407812930 /nfs/dbraw/zinc/81/29/30/407812930.db2.gz RYAUNTLTJOVXOH-UHFFFAOYSA-N 0 3 309.370 1.193 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000268278945 407981580 /nfs/dbraw/zinc/98/15/80/407981580.db2.gz WUSBWOKCUIEELZ-ZWNOBZJWSA-N 0 3 321.381 1.089 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000272428625 407915021 /nfs/dbraw/zinc/91/50/21/407915021.db2.gz HJCOHNICAFFRFT-QWHCGFSZSA-N 0 3 321.381 1.042 20 5 DDBDHN CC(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000268191603 407939568 /nfs/dbraw/zinc/93/95/68/407939568.db2.gz FAFOSFVRXZYIAE-SSDOTTSWSA-N 0 3 320.754 1.298 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CCCC[C@H]2CN(C)C)c1[N+](=O)[O-] ZINC000188411537 407940438 /nfs/dbraw/zinc/94/04/38/407940438.db2.gz UPJAPNGNJONBDC-JTQLQIEISA-N 0 3 309.370 1.437 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CCCC[C@H]2CN(C)C)c1[N+](=O)[O-] ZINC000188411537 407940443 /nfs/dbraw/zinc/94/04/43/407940443.db2.gz UPJAPNGNJONBDC-JTQLQIEISA-N 0 3 309.370 1.437 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@]2(CCOC2)C1 ZINC000181992883 408062453 /nfs/dbraw/zinc/06/24/53/408062453.db2.gz SEJHFPFMMJRKGZ-BBRMVZONSA-N 0 3 322.361 1.447 20 5 DDBDHN C[C@@]1(O)CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182325378 408126237 /nfs/dbraw/zinc/12/62/37/408126237.db2.gz VCZWPRXSMCASAO-SWLSCSKDSA-N 0 3 310.350 1.181 20 5 DDBDHN CC[C@H](CO)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000182693905 408224769 /nfs/dbraw/zinc/22/47/69/408224769.db2.gz HZLZSBKYDJVYJE-CYBMUJFWSA-N 0 3 304.350 1.856 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000176935072 408480490 /nfs/dbraw/zinc/48/04/90/408480490.db2.gz WLBDONHHXDRCQM-GXSJLCMTSA-N 0 3 309.370 1.339 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177205401 408551130 /nfs/dbraw/zinc/55/11/30/408551130.db2.gz YFHHWYWDYAIPOT-MNOVXSKESA-N 0 3 319.361 1.958 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000161338301 408589006 /nfs/dbraw/zinc/58/90/06/408589006.db2.gz SLOBQXYPNJDLHK-CMPLNLGQSA-N 0 3 323.397 1.729 20 5 DDBDHN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCCO1 ZINC000248606186 408595789 /nfs/dbraw/zinc/59/57/89/408595789.db2.gz PDOQNCGMGYLTPF-CQDKDKBSSA-N 0 3 319.361 1.857 20 5 DDBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270761447 408670016 /nfs/dbraw/zinc/67/00/16/408670016.db2.gz MTKAFFZOLWEBHW-WDEREUQCSA-N 0 3 309.370 1.179 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000164563645 408801153 /nfs/dbraw/zinc/80/11/53/408801153.db2.gz DWCUXHPOLMRTLQ-STQMWFEESA-N 0 3 321.381 1.042 20 5 DDBDHN CC[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N(C)C ZINC000177966392 408746584 /nfs/dbraw/zinc/74/65/84/408746584.db2.gz MWBRPMNURYBQBT-HNNXBMFYSA-N 0 3 320.393 1.584 20 5 DDBDHN COc1ccc(OCCN2CC[C@](C)(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000280832179 408843004 /nfs/dbraw/zinc/84/30/04/408843004.db2.gz WCHXAFPVEILBNA-HNNXBMFYSA-N 0 3 323.349 1.180 20 5 DDBDHN CN1CC[C@]2(CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292149106 408990047 /nfs/dbraw/zinc/99/00/47/408990047.db2.gz IKAJFCQOXIRWOH-INIZCTEOSA-N 0 3 319.361 1.528 20 5 DDBDHN CCN1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000288418031 409165106 /nfs/dbraw/zinc/16/51/06/409165106.db2.gz MAAZIVJKWZGUCN-SNVBAGLBSA-N 0 3 317.349 1.637 20 5 DDBDHN Cc1ccc(C(=O)Nc2ccnn2CCN(C)C)cc1[N+](=O)[O-] ZINC000294020033 409226319 /nfs/dbraw/zinc/22/63/19/409226319.db2.gz JGMJSTFZTRKNNC-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN COc1ccc(CNC[C@H](CO)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280315848 409291263 /nfs/dbraw/zinc/29/12/63/409291263.db2.gz OUWUNENRQDNYLV-CHWSQXEVSA-N 0 3 310.350 1.338 20 5 DDBDHN CC(C)(C[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1)C(N)=O ZINC000295078595 409315309 /nfs/dbraw/zinc/31/53/09/409315309.db2.gz AXUBFDFPBBYUQA-LBPRGKRZSA-N 0 3 323.397 1.405 20 5 DDBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000284990637 409391228 /nfs/dbraw/zinc/39/12/28/409391228.db2.gz CIMLLHLIOAHNHD-UHFFFAOYSA-N 0 3 317.349 1.522 20 5 DDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000321979921 164046259 /nfs/dbraw/zinc/04/62/59/164046259.db2.gz OZBQQPQKLNAFRU-VXGBXAGGSA-N 0 3 323.324 1.327 20 5 DDBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H](CO)CN1CCCCC1 ZINC000296420659 409541039 /nfs/dbraw/zinc/54/10/39/409541039.db2.gz SIHHVEYHMRMHMV-ZDUSSCGKSA-N 0 3 322.365 1.563 20 5 DDBDHN CN(CCN1CCCC1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000331591778 409672327 /nfs/dbraw/zinc/67/23/27/409672327.db2.gz GODCBTSBHAYMNH-UHFFFAOYSA-N 0 3 321.333 1.491 20 5 DDBDHN Cc1nc([N+](=O)[O-])c(-c2noc(C34CCCN3CCC4)n2)n1C ZINC000351211588 410047741 /nfs/dbraw/zinc/04/77/41/410047741.db2.gz IIFGOVDOPLZQJA-UHFFFAOYSA-N 0 3 318.337 1.772 20 5 DDBDHN COc1ccc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000347011792 410311677 /nfs/dbraw/zinc/31/16/77/410311677.db2.gz MLGILANBLTWHOU-ZDUSSCGKSA-N 0 3 319.361 1.912 20 5 DDBDHN Cc1nn(CCC(=O)N[C@@H]2CCCN(C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000343459882 410471680 /nfs/dbraw/zinc/47/16/80/410471680.db2.gz WTJNRUXNCSIALK-WCQYABFASA-N 0 3 323.397 1.397 20 5 DDBDHN CN1CC=C(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000343715717 410644358 /nfs/dbraw/zinc/64/43/58/410644358.db2.gz MTPURSZGIMUFMY-UHFFFAOYSA-N 0 3 318.377 1.698 20 5 DDBDHN CS[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000330500416 410730823 /nfs/dbraw/zinc/73/08/23/410730823.db2.gz OSJDYFNCPLIRIM-UONOGXRCSA-N 0 3 323.418 1.641 20 5 DDBDHN Cc1ccnc(N2CCN([C@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000301250331 410685372 /nfs/dbraw/zinc/68/53/72/410685372.db2.gz BVLXVJYAUHBORM-AWEZNQCLSA-N 0 3 319.409 1.514 20 5 DDBDHN CCN1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000301668474 410767464 /nfs/dbraw/zinc/76/74/64/410767464.db2.gz XVFGRAOKXSJOFA-LBPRGKRZSA-N 0 3 307.398 1.736 20 5 DDBDHN C[C@H]1CCC[C@H](C)N1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000347885060 410774881 /nfs/dbraw/zinc/77/48/81/410774881.db2.gz ZKLRCVGHKBUSOF-RYUDHWBXSA-N 0 3 318.381 2.312 20 5 DDBDHN COC[C@H](C)NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353209170 410854925 /nfs/dbraw/zinc/85/49/25/410854925.db2.gz RKCHTUGXEAEXIW-JTQLQIEISA-N 0 3 312.322 1.271 20 5 DDBDHN CN(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])n2C)CCSC1 ZINC000331101959 410947243 /nfs/dbraw/zinc/94/72/43/410947243.db2.gz OZXLENIDUKCCJK-CYBMUJFWSA-N 0 3 312.395 1.100 20 5 DDBDHN CCN1CCC(Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000341350370 411018620 /nfs/dbraw/zinc/01/86/20/411018620.db2.gz NFBRXLHPQNICAJ-UHFFFAOYSA-N 0 3 317.349 2.140 20 5 DDBDHN CCCc1n[nH]c(C(=O)N(C)C[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000331241397 411035359 /nfs/dbraw/zinc/03/53/59/411035359.db2.gz NGEDMVUONDYAIN-JTQLQIEISA-N 0 3 309.370 1.437 20 5 DDBDHN CCCc1[nH]nc(C(=O)N(C)C[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000331241397 411035365 /nfs/dbraw/zinc/03/53/65/411035365.db2.gz NGEDMVUONDYAIN-JTQLQIEISA-N 0 3 309.370 1.437 20 5 DDBDHN COc1c(C(=O)NCC2=CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000356672487 411120424 /nfs/dbraw/zinc/12/04/24/411120424.db2.gz KEGYBOKDXZMJIC-UHFFFAOYSA-N 0 3 305.334 1.595 20 5 DDBDHN COCCN(C)C[C@@H](O)CSc1ccc([N+](=O)[O-])cn1 ZINC000580660279 422947496 /nfs/dbraw/zinc/94/74/96/422947496.db2.gz YZHRIAPBYPRZAN-LLVKDONJSA-N 0 3 301.368 1.021 20 5 DDBDHN C[C@H](NCCC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173337486 221778194 /nfs/dbraw/zinc/77/81/94/221778194.db2.gz ZMKHWHNRYQJGDO-LBPRGKRZSA-N 0 3 307.350 1.494 20 5 DDBDHN CNc1c(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000360945990 418552218 /nfs/dbraw/zinc/55/22/18/418552218.db2.gz SUXNAGYZENRUNZ-ZWNOBZJWSA-N 0 3 318.377 1.849 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000375011468 418587955 /nfs/dbraw/zinc/58/79/55/418587955.db2.gz FZGIKRQOISLMBE-ZIAGYGMSSA-N 0 3 308.382 1.930 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCOCCN(C)C ZINC000361431749 418650505 /nfs/dbraw/zinc/65/05/05/418650505.db2.gz FVXHLXCJZYFDDS-UHFFFAOYSA-N 0 3 310.354 1.603 20 5 DDBDHN CN(CC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000361353926 418633249 /nfs/dbraw/zinc/63/32/49/418633249.db2.gz JGDGPGWREBSERO-LBPRGKRZSA-N 0 3 318.377 1.384 20 5 DDBDHN CCOc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000368191877 418701923 /nfs/dbraw/zinc/70/19/23/418701923.db2.gz CRQVQIFTIBTWSI-QWRGUYRKSA-N 0 3 311.313 1.423 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CC[C@H](C[NH3+])C1 ZINC000382482725 418731681 /nfs/dbraw/zinc/73/16/81/418731681.db2.gz XOMGIOGIROLBDC-QWRGUYRKSA-N 0 3 313.379 1.309 20 5 DDBDHN CCO[C@@H]1COCC[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000362009292 418738371 /nfs/dbraw/zinc/73/83/71/418738371.db2.gz APLVABVCAFOGNJ-IUODEOHRSA-N 0 3 310.350 1.757 20 5 DDBDHN CCO[C@@H]1COCC[C@@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000362019187 418740445 /nfs/dbraw/zinc/74/04/45/418740445.db2.gz UPROJUMDANSDQS-LSDHHAIUSA-N 0 3 310.350 1.757 20 5 DDBDHN C[C@@H]1C[C@H](CO)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000420948120 419375684 /nfs/dbraw/zinc/37/56/84/419375684.db2.gz VJWNIIKPZQWSPE-VNHYZAJKSA-N 0 3 324.377 1.285 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)CCN(C)C)c1 ZINC000420020451 420095644 /nfs/dbraw/zinc/09/56/44/420095644.db2.gz SILNDZKUPIFTHB-OAHLLOKOSA-N 0 3 309.366 1.336 20 5 DDBDHN C[C@@]1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCCCN1 ZINC000423826343 420211964 /nfs/dbraw/zinc/21/19/64/420211964.db2.gz MEBRGTXSZJZEAU-HNNXBMFYSA-N 0 3 321.381 1.487 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000424071157 420309645 /nfs/dbraw/zinc/30/96/45/420309645.db2.gz DRSBBFDVELPVEG-LBPRGKRZSA-N 0 3 315.333 1.016 20 5 DDBDHN CN(C)CC(C)(C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000416509991 420400327 /nfs/dbraw/zinc/40/03/27/420400327.db2.gz SUZQUGNJKHPHMT-UHFFFAOYSA-N 0 3 315.395 1.354 20 5 DDBDHN CC1(C)CCCN1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000457072538 420603295 /nfs/dbraw/zinc/60/32/95/420603295.db2.gz JETQJRHTHHVCGP-UHFFFAOYSA-N 0 3 324.356 1.920 20 5 DDBDHN CCc1n[nH]c(C(=O)N(C)[C@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000457115277 420619564 /nfs/dbraw/zinc/61/95/64/420619564.db2.gz KWSBUMIMKVJRGB-JTQLQIEISA-N 0 3 309.370 1.435 20 5 DDBDHN COc1ccc(OCCN2C[C@@H](C)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000452069489 420620708 /nfs/dbraw/zinc/62/07/08/420620708.db2.gz PZPKGFHNALMULA-RYUDHWBXSA-N 0 3 310.350 1.685 20 5 DDBDHN O=C(N[C@H]1CNCCC1(F)F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000449668382 421053601 /nfs/dbraw/zinc/05/36/01/421053601.db2.gz SUPDUOGKVWPPLT-JTQLQIEISA-N 0 3 319.695 1.975 20 5 DDBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H]3COCCO3)CC2)cc1 ZINC000450462377 421200303 /nfs/dbraw/zinc/20/03/03/421200303.db2.gz ZTIXHLPBRJDCIW-MRXNPFEDSA-N 0 3 322.361 1.853 20 5 DDBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000560978311 421301390 /nfs/dbraw/zinc/30/13/90/421301390.db2.gz AEILUQFFTQCNMB-LLVKDONJSA-N 0 3 309.370 1.558 20 5 DDBDHN CCCc1n[nH]c(C(=O)NCCN2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000525803886 421303058 /nfs/dbraw/zinc/30/30/58/421303058.db2.gz XYXAXFMQIPQLIY-SNVBAGLBSA-N 0 3 309.370 1.342 20 5 DDBDHN C[C@]1(CO)CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000546810967 421312074 /nfs/dbraw/zinc/31/20/74/421312074.db2.gz DRBANJHDLSYPCQ-IUODEOHRSA-N 0 3 310.350 1.181 20 5 DDBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000517005731 421586352 /nfs/dbraw/zinc/58/63/52/421586352.db2.gz JWZOTTMKVKLWLF-GFCCVEGCSA-N 0 3 306.366 1.679 20 5 DDBDHN CN(C)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])Cc1ccccc1 ZINC000554833186 421663078 /nfs/dbraw/zinc/66/30/78/421663078.db2.gz HIYQSCZPSIGWQE-GFCCVEGCSA-N 0 3 317.349 1.221 20 5 DDBDHN N[C@H](CC(F)F)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000581068969 421892571 /nfs/dbraw/zinc/89/25/71/421892571.db2.gz LBGAMFJXZGYNFE-SNVBAGLBSA-N 0 3 303.265 1.072 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2N(C)CCCC2(C)C)n1 ZINC000344645092 272078030 /nfs/dbraw/zinc/07/80/30/272078030.db2.gz CNYCURFUMVGPOU-NSHDSACASA-N 0 3 309.370 1.179 20 5 DDBDHN CN(C)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000267245630 273808878 /nfs/dbraw/zinc/80/88/78/273808878.db2.gz NKHKMLFPLGCUHN-MRVPVSSYSA-N 0 3 315.171 1.893 20 5 DDBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000330559660 274218368 /nfs/dbraw/zinc/21/83/68/274218368.db2.gz HJIUFEVWOKUZIO-RYUDHWBXSA-N 0 3 308.382 1.784 20 5 DDBDHN O=[N+]([O-])c1cnc2ccc(N3CC[C@@H](N4CCCCC4)C3)nn21 ZINC000408058469 275041814 /nfs/dbraw/zinc/04/18/14/275041814.db2.gz JYEBSXFAAUWTBV-GFCCVEGCSA-N 0 3 316.365 1.702 20 5 DDBDHN CCN1CCCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000110993430 276157179 /nfs/dbraw/zinc/15/71/79/276157179.db2.gz KWNCOHGVIKBLFU-LLVKDONJSA-N 0 3 309.370 1.241 20 5 DDBDHN CCOC[C@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000459711061 276333976 /nfs/dbraw/zinc/33/39/76/276333976.db2.gz LVONBXMSGVPNAT-CQSZACIVSA-N 0 3 309.366 1.648 20 5 DDBDHN Cc1c(CC(=O)N2CC[C@H]3CCN(C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000368587738 301058683 /nfs/dbraw/zinc/05/86/83/301058683.db2.gz DRYJEIJFSCZHAM-CJNGLKHVSA-N 0 3 317.389 1.998 20 5 DDBDHN CN1CCC[C@@H](N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000369359358 301171396 /nfs/dbraw/zinc/17/13/96/301171396.db2.gz QQASQGKDBBISRB-MRXNPFEDSA-N 0 3 318.421 1.807 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1C(=N)NO ZINC000374176481 301774242 /nfs/dbraw/zinc/77/42/42/301774242.db2.gz RBKRJRLRIWAJBG-GFCCVEGCSA-N 0 3 308.338 1.914 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H]2OCC[C@H]2C1 ZINC000376048123 302031157 /nfs/dbraw/zinc/03/11/57/302031157.db2.gz PYFBGFASRWGYQX-KCQAQPDRSA-N 0 3 322.361 1.445 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCC[NH2+]CC1 ZINC000226461623 302049645 /nfs/dbraw/zinc/04/96/45/302049645.db2.gz HEJIPMJRZHKHKZ-NSHDSACASA-N 0 3 313.379 1.324 20 5 DDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000356300534 306847145 /nfs/dbraw/zinc/84/71/45/306847145.db2.gz OUKZSHYDNPETKN-NEPJUHHUSA-N 0 3 306.366 1.632 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-]CCC[NH2+]C(C)C)c([N+](=O)[O-])c1 ZINC000563118676 303923417 /nfs/dbraw/zinc/92/34/17/303923417.db2.gz RKWBETFAOGLFGT-UHFFFAOYSA-N 0 3 315.395 1.570 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000563170474 303928765 /nfs/dbraw/zinc/92/87/65/303928765.db2.gz SBTFETPCRYHVHE-HNNXBMFYSA-N 0 3 314.345 1.632 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)cc1F ZINC000367275840 307091232 /nfs/dbraw/zinc/09/12/32/307091232.db2.gz YSPQGEICEFKHTD-JKSUJKDBSA-N 0 3 323.368 1.765 20 5 DDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCN2CCC1CC2 ZINC000367423976 307092899 /nfs/dbraw/zinc/09/28/99/307092899.db2.gz OEHBCGBRCBAWQM-UHFFFAOYSA-N 0 3 318.377 1.627 20 5 DDBDHN CN1CC[C@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@@H]21 ZINC000375047435 307217881 /nfs/dbraw/zinc/21/78/81/307217881.db2.gz DDQQTRDWIAFFNO-QWRGUYRKSA-N 0 3 302.338 1.168 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000376663593 307252423 /nfs/dbraw/zinc/25/24/23/307252423.db2.gz LJGVZJBHDXMSEJ-JQWIXIFHSA-N 0 3 320.349 1.170 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000376663593 307252424 /nfs/dbraw/zinc/25/24/24/307252424.db2.gz LJGVZJBHDXMSEJ-JQWIXIFHSA-N 0 3 320.349 1.170 20 5 DDBDHN C[C@H]1CCN(CC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000567178777 308075183 /nfs/dbraw/zinc/07/51/83/308075183.db2.gz PSIHNVINLIDZSW-ZDUSSCGKSA-N 0 3 305.378 1.938 20 5 DDBDHN O=C(CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)NCC1CC1 ZINC000580991463 308645555 /nfs/dbraw/zinc/64/55/55/308645555.db2.gz GWYONRVRHDTWNW-STQMWFEESA-N 0 3 321.381 1.391 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000584533393 337357496 /nfs/dbraw/zinc/35/74/96/337357496.db2.gz YTXVNSDPVIBTEI-HIFRSBDPSA-N 0 3 320.393 1.663 20 5 DDBDHN CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361591241 484521106 /nfs/dbraw/zinc/52/11/06/484521106.db2.gz YPNRDUHHDYWNKI-QWHCGFSZSA-N 0 3 310.350 1.445 20 5 DDBDHN COC(=O)Cc1ccc(N(C)CCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000294858570 533751346 /nfs/dbraw/zinc/75/13/46/533751346.db2.gz CVUKPBKLBWRTJB-UHFFFAOYSA-N 0 3 321.377 1.841 20 5 DDBDHN COc1cc(CN(C)CC2(O)CCOCC2)ccc1[N+](=O)[O-] ZINC000444753513 533782123 /nfs/dbraw/zinc/78/21/23/533782123.db2.gz NYHFEKQEPWZVIK-UHFFFAOYSA-N 0 3 310.350 1.577 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@]1(C)CCO[C@H]1C ZINC000494242663 534340128 /nfs/dbraw/zinc/34/01/28/534340128.db2.gz URKWBTMLOYZTHN-XHDPSFHLSA-N 0 3 307.350 1.999 20 5 DDBDHN CC1(C)OCC[C@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451245531 527812793 /nfs/dbraw/zinc/81/27/93/527812793.db2.gz UCAXHKIRZGWGJN-ZIAGYGMSSA-N 0 3 319.361 1.857 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000330890005 528547699 /nfs/dbraw/zinc/54/76/99/528547699.db2.gz BPXYYFSFWDHXDO-NXEZZACHSA-N 0 3 309.370 1.483 20 5 DDBDHN CC[C@@H](C)N1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000451844800 529355565 /nfs/dbraw/zinc/35/55/65/529355565.db2.gz PDAGYUYPHJVUJA-CYBMUJFWSA-N 0 3 320.393 1.949 20 5 DDBDHN C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736846954 598810265 /nfs/dbraw/zinc/81/02/65/598810265.db2.gz DFFLGBVPQQDTQU-VIFPVBQESA-N 0 3 303.326 1.139 20 5 DDBDHN C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736846954 598810267 /nfs/dbraw/zinc/81/02/67/598810267.db2.gz DFFLGBVPQQDTQU-VIFPVBQESA-N 0 3 303.326 1.139 20 5 DDBDHN C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736846954 598810269 /nfs/dbraw/zinc/81/02/69/598810269.db2.gz DFFLGBVPQQDTQU-VIFPVBQESA-N 0 3 303.326 1.139 20 5 DDBDHN C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736846954 598810270 /nfs/dbraw/zinc/81/02/70/598810270.db2.gz DFFLGBVPQQDTQU-VIFPVBQESA-N 0 3 303.326 1.139 20 5 DDBDHN CC[N@@H+]1C[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821242875 606732042 /nfs/dbraw/zinc/73/20/42/606732042.db2.gz XGIKUCLABASLQB-TVQRCGJNSA-N 0 3 317.353 1.527 20 5 DDBDHN CC[N@H+]1C[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821242875 606732043 /nfs/dbraw/zinc/73/20/43/606732043.db2.gz XGIKUCLABASLQB-TVQRCGJNSA-N 0 3 317.353 1.527 20 5 DDBDHN CC[N@@H+]1C[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821242875 606732044 /nfs/dbraw/zinc/73/20/44/606732044.db2.gz XGIKUCLABASLQB-TVQRCGJNSA-N 0 3 317.353 1.527 20 5 DDBDHN CC[N@H+]1C[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821242875 606732045 /nfs/dbraw/zinc/73/20/45/606732045.db2.gz XGIKUCLABASLQB-TVQRCGJNSA-N 0 3 317.353 1.527 20 5 DDBDHN COCCOC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584274 698121699 /nfs/dbraw/zinc/12/16/99/698121699.db2.gz JVSGBEXHMCEUQH-MRXNPFEDSA-N 0 3 324.377 1.756 20 5 DDBDHN NC(=O)CC[C@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583014 698121754 /nfs/dbraw/zinc/12/17/54/698121754.db2.gz YNVFMJQMUPIYEW-DOMZBBRYSA-N 0 3 321.377 1.606 20 5 DDBDHN CN(C)CCn1nnnc1S/C=C/c1ccc([N+](=O)[O-])o1 ZINC000789906759 699418821 /nfs/dbraw/zinc/41/88/21/699418821.db2.gz CMDAWXLDVSNVRV-VMPITWQZSA-N 0 3 310.339 1.499 20 5 DDBDHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000743978818 699931700 /nfs/dbraw/zinc/93/17/00/699931700.db2.gz PDLWCHKFWKHUDL-NSHDSACASA-N 0 3 320.349 1.134 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000758332462 700699160 /nfs/dbraw/zinc/69/91/60/700699160.db2.gz BJFDNSBOFSVNLQ-RNCFNFMXSA-N 0 3 307.325 1.946 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](CCO)C1CC1 ZINC000771798010 701330991 /nfs/dbraw/zinc/33/09/91/701330991.db2.gz DELMONFPCZMVFD-CYBMUJFWSA-N 0 3 307.350 1.592 20 5 DDBDHN COC(=O)[C@]1(C)CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839668352 701773843 /nfs/dbraw/zinc/77/38/43/701773843.db2.gz ZRGXFQMRYHLJCZ-GOEBONIOSA-N 0 3 322.361 1.903 20 5 DDBDHN CC(=O)N(CCC(=O)OCC(C)[N+](=O)[O-])Cc1ccccc1 ZINC000813109020 702295519 /nfs/dbraw/zinc/29/55/19/702295519.db2.gz DLTWNPDIUSRMBH-GFCCVEGCSA-N 0 3 308.334 1.634 20 5 DDBDHN CC(COC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C)[N+](=O)[O-] ZINC000813109846 702296175 /nfs/dbraw/zinc/29/61/75/702296175.db2.gz POZPATPCBNFQOY-VHSXEESVSA-N 0 3 316.354 1.840 20 5 DDBDHN COc1ccc(-n2ccc(C(=O)OCC(C)[N+](=O)[O-])n2)cc1 ZINC000813109577 702296368 /nfs/dbraw/zinc/29/63/68/702296368.db2.gz MKMAKDKEFWJDIO-SNVBAGLBSA-N 0 3 305.290 1.703 20 5 DDBDHN Cc1nc(COc2cccc(C(=O)OCC(C)[N+](=O)[O-])c2)no1 ZINC000813111991 702297459 /nfs/dbraw/zinc/29/74/59/702297459.db2.gz BOGSNKJAJGSIJA-SECBINFHSA-N 0 3 321.289 1.779 20 5 DDBDHN CC(COC(=O)CCc1nnc(-c2ccccc2)o1)[N+](=O)[O-] ZINC000813113309 702298333 /nfs/dbraw/zinc/29/83/33/702298333.db2.gz PKGMXFVDBGVWOL-JTQLQIEISA-N 0 3 305.290 1.878 20 5 DDBDHN CC(COC(=O)CCc1nc(-c2ccccn2)no1)[N+](=O)[O-] ZINC000813115047 702299525 /nfs/dbraw/zinc/29/95/25/702299525.db2.gz ZRVZFOOTCQXQQU-VIFPVBQESA-N 0 3 306.278 1.273 20 5 DDBDHN CC(C)C[C@](C)(C[NH3+])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000842722725 702762855 /nfs/dbraw/zinc/76/28/55/702762855.db2.gz MINJALHKEYTWPH-GFCCVEGCSA-N 0 3 316.383 1.032 20 5 DDBDHN CC([C@@H](OC(=O)CC1OCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845884086 703212308 /nfs/dbraw/zinc/21/23/08/703212308.db2.gz XHDCXWMWAUYPTC-YMTOWFKASA-N 0 3 313.281 1.838 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000821955462 704847798 /nfs/dbraw/zinc/84/77/98/704847798.db2.gz RFDCLAXUZKKRFA-OAHLLOKOSA-N 0 3 307.350 1.008 20 5 DDBDHN CC(COC(=O)C1(NC(=O)OCc2ccccc2)CC1)[N+](=O)[O-] ZINC000860777275 705279907 /nfs/dbraw/zinc/27/99/07/705279907.db2.gz NAFHEYYEVDJCTF-LLVKDONJSA-N 0 3 322.317 1.654 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000827137219 705937822 /nfs/dbraw/zinc/93/78/22/705937822.db2.gz VHAHOYQPYMMQOU-ILXRZTDVSA-N 0 3 303.362 1.909 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@]2(CNC(=O)C2)C1 ZINC000877485245 706120179 /nfs/dbraw/zinc/12/01/79/706120179.db2.gz NNQOUNWGBJULCG-MRXNPFEDSA-N 0 3 303.362 1.924 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](c3nccs3)C2)c1 ZINC000880318445 706939350 /nfs/dbraw/zinc/93/93/50/706939350.db2.gz ZEQFUSSTOJCZJY-JQWIXIFHSA-N 0 3 323.378 1.098 20 5 DDBDHN CC(COC(=O)c1ccc(S(=O)(=O)C2CC2)cc1)[N+](=O)[O-] ZINC000835454469 707255282 /nfs/dbraw/zinc/25/52/82/707255282.db2.gz KAMQGJKMEPKKDZ-SECBINFHSA-N 0 3 313.331 1.445 20 5 DDBDHN CN(C(=O)CN[C@]12CCC[C@H]1OCC2)c1ccc([N+](=O)[O-])cc1 ZINC000872314383 707377443 /nfs/dbraw/zinc/37/74/43/707377443.db2.gz BURDDCTZVXNHQK-ZBFHGGJFSA-N 0 3 319.361 1.859 20 5 DDBDHN Cc1c(CNC[C@H]2CCCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000873127198 707742385 /nfs/dbraw/zinc/74/23/85/707742385.db2.gz ONYHNDPCTOUFRP-GFCCVEGCSA-N 0 3 312.391 1.818 20 5 DDBDHN CN(CCO)CCN(C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000912608367 713047681 /nfs/dbraw/zinc/04/76/81/713047681.db2.gz TYPZPTSIRZYHRM-UHFFFAOYSA-N 0 3 315.757 1.244 20 5 DDBDHN COc1cc([N+](=O)[O-])cnc1NCCN1CCN(C)C(C)(C)C1 ZINC000893685461 710777097 /nfs/dbraw/zinc/77/70/97/710777097.db2.gz NYDPIBKBZFFHBN-UHFFFAOYSA-N 0 3 323.397 1.436 20 5 DDBDHN COc1cc([C@@H](C)NC[C@@H]2CCCNC2=O)cc([N+](=O)[O-])c1 ZINC000903184473 711058593 /nfs/dbraw/zinc/05/85/93/711058593.db2.gz CJGQZRNOMQEKHF-MNOVXSKESA-N 0 3 307.350 1.780 20 5 DDBDHN COC(=O)C[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000932099098 714258012 /nfs/dbraw/zinc/25/80/12/714258012.db2.gz JIBFGPUCWDCDLX-ZYHUDNBSSA-N 0 3 310.354 1.231 20 5 DDBDHN COC[C@H](C)OC[C@@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932178375 714279656 /nfs/dbraw/zinc/27/96/56/714279656.db2.gz ZMVNOKNCWLRJBS-ZOWXZIJZSA-N 0 3 312.366 1.658 20 5 DDBDHN C[C@@H](NC[C@H](O)COC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000932180616 714280134 /nfs/dbraw/zinc/28/01/34/714280134.db2.gz ASLNBIVQSVQECH-KCXAZCMYSA-N 0 3 324.377 1.802 20 5 DDBDHN C[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000932348343 714315685 /nfs/dbraw/zinc/31/56/85/714315685.db2.gz MVJBYCKZTWJVDC-OCCSQVGLSA-N 0 3 310.350 1.445 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCN1C ZINC000925343009 714820604 /nfs/dbraw/zinc/82/06/04/714820604.db2.gz KVTHVQZDCIDNMQ-JSGCOSHPSA-N 0 3 320.393 1.871 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC001125604479 734764541 /nfs/dbraw/zinc/76/45/41/734764541.db2.gz BIRFIQVHMLPWBK-UHFFFAOYSA-N 0 3 316.317 1.215 20 5 DDBDHN C[C@@H](c1ccccc1)N(CCO)CCn1ccc([N+](=O)[O-])n1 ZINC001168307732 742173484 /nfs/dbraw/zinc/17/34/84/742173484.db2.gz FCNAZJANKUYLEA-ZDUSSCGKSA-N 0 3 304.350 1.847 20 5 DDBDHN O=C1OCC[C@]12CCN(CCOc1ccccc1[N+](=O)[O-])C2 ZINC001198810255 747619844 /nfs/dbraw/zinc/61/98/44/747619844.db2.gz MIHWBCPFLRBZEH-HNNXBMFYSA-N 0 3 306.318 1.613 20 5 DDBDHN Cc1ccc(CNC[C@H]2COC3(CCOCC3)O2)cc1[N+](=O)[O-] ZINC001201676398 748566279 /nfs/dbraw/zinc/56/62/79/748566279.db2.gz PXOJWOLEZLERTL-AWEZNQCLSA-N 0 3 322.361 1.915 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)C2(C)CC2)CC1 ZINC000996615410 749785896 /nfs/dbraw/zinc/78/58/96/749785896.db2.gz GUKHHENYCYSDGG-UHFFFAOYSA-N 0 3 321.381 1.209 20 5 DDBDHN O=C(CCc1ccon1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001131344812 768001141 /nfs/dbraw/zinc/00/11/41/768001141.db2.gz NTIDDQAIEONGMR-UHFFFAOYSA-N 0 3 318.333 1.421 20 5 DDBDHN CSc1nc(Cl)nc(-n2ccc([C@H](C)N)n2)c1[N+](=O)[O-] ZINC001158350730 768134093 /nfs/dbraw/zinc/13/40/93/768134093.db2.gz NXPJMFOXRFXZKZ-YFKPBYRVSA-N 0 3 314.758 1.966 20 5 DDBDHN CC(F)(F)CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001133446497 769828249 /nfs/dbraw/zinc/82/82/49/769828249.db2.gz GLOHTAQXVXZJSY-UHFFFAOYSA-N 0 3 301.293 1.846 20 5 DDBDHN CCN(CC)CC(=O)N(C)CCNc1nc(C)ccc1[N+](=O)[O-] ZINC001101628349 777323419 /nfs/dbraw/zinc/32/34/19/777323419.db2.gz DFLVVMBMUHHDOG-UHFFFAOYSA-N 0 3 323.397 1.510 20 5 DDBDHN Cc1nc[nH]c1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001177564392 778649890 /nfs/dbraw/zinc/64/98/90/778649890.db2.gz SIDSUPFFWZIAQY-UHFFFAOYSA-N 0 3 323.378 1.598 20 5 DDBDHN CC(C)OCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001155383677 862018010 /nfs/dbraw/zinc/01/80/10/862018010.db2.gz LXIKTAWCJIIVIP-UHFFFAOYSA-N 0 3 315.395 1.677 20 5 DDBDHN C[C@@H]1NCCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC001121939130 858640364 /nfs/dbraw/zinc/64/03/64/858640364.db2.gz ZYXSDKHFOCUETM-UOVKNHIHSA-N 0 3 303.362 1.907 20 5 DDBDHN C[C@@H]1NC[C@H](C)N(C(=O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC001122264872 858730200 /nfs/dbraw/zinc/73/02/00/858730200.db2.gz YEIVEBPUKOIWMF-SRVKXCTJSA-N 0 3 307.350 1.571 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccncc1F ZINC001125164098 859907342 /nfs/dbraw/zinc/90/73/42/859907342.db2.gz CRBCFMNKGJNDJF-UHFFFAOYSA-N 0 3 318.308 1.649 20 5 DDBDHN COc1ncnc(N2CCN[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC001157759954 864110607 /nfs/dbraw/zinc/11/06/07/864110607.db2.gz ZDEMUORVFIVSGV-LBPRGKRZSA-N 0 3 315.333 1.544 20 5 DDBDHN CN1CCN(C(=N)Nc2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001157915431 864257630 /nfs/dbraw/zinc/25/76/30/864257630.db2.gz WPYBLYPAINSPFJ-UHFFFAOYSA-N 0 3 314.349 1.737 20 5 DDBDHN Cc1cc(NCC2CN(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001159222434 865171859 /nfs/dbraw/zinc/17/18/59/865171859.db2.gz MKBCJHHBPMPURA-UHFFFAOYSA-N 0 3 313.361 1.756 20 5 DDBDHN C[C@@H](Nc1ncnc2cc([N+](=O)[O-])ccc21)[C@@H]1CNCCO1 ZINC001159496017 865348395 /nfs/dbraw/zinc/34/83/95/865348395.db2.gz IADFXAKUNOQMDD-RNCFNFMXSA-N 0 3 303.322 1.327 20 5 DDBDHN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC(C)(N(C)C)C1 ZINC001165119507 869387134 /nfs/dbraw/zinc/38/71/34/869387134.db2.gz BBTIOEIZQNVVNL-UHFFFAOYSA-N 0 3 308.338 1.307 20 5 DDBDHN CCn1c(CCC[N+](=O)[O-])nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001340012705 870837409 /nfs/dbraw/zinc/83/74/09/870837409.db2.gz TVFQQSITVPWUBU-STQMWFEESA-N 0 3 324.429 1.426 20 5 DDBDHN CCn1c([C@H](C)[N+](=O)[O-])nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001340877182 871404449 /nfs/dbraw/zinc/40/44/49/871404449.db2.gz CRXZWLLICMCJAS-SRVKXCTJSA-N 0 3 310.402 1.555 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCc1c[n-][nH]c1=O ZINC001254536837 896492733 /nfs/dbraw/zinc/49/27/33/896492733.db2.gz UJTZEQDTZJSTBG-DGCLKSJQSA-N 0 3 304.350 1.627 20 5 DDBDHN Cc1nc(=N)n([C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1CN ZINC001254549825 896498924 /nfs/dbraw/zinc/49/89/24/896498924.db2.gz XHMGOIKQPUFMSK-JTQLQIEISA-N 0 3 301.350 1.842 20 5 DDBDHN COc1cc(C(=O)N[C@H](C)C2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000272850717 210246922 /nfs/dbraw/zinc/24/69/22/210246922.db2.gz HHWWLDMZFVOCRB-LLVKDONJSA-N 0 3 319.361 1.984 20 5 DDBDHN COc1cc(CN2C[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000451625968 231142576 /nfs/dbraw/zinc/14/25/76/231142576.db2.gz QXOIDGAKHWVGIJ-IINYFYTJSA-N 0 3 309.341 1.878 20 5 DDBDHN CC[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000459783812 529472356 /nfs/dbraw/zinc/47/23/56/529472356.db2.gz WJLKXOHKPIVNSN-YPMHNXCESA-N 0 3 323.349 1.699 20 5 DDBDHN O=[N+]([O-])c1ccc(CNCCC2CS(=O)(=O)C2)c(Cl)c1 ZINC000615728179 362418030 /nfs/dbraw/zinc/41/80/30/362418030.db2.gz OPOMKZFAYPIKPC-UHFFFAOYSA-N 0 3 318.782 1.773 20 5 DDBDHN Cc1c(CC(=O)N2CCC[C@@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000119518899 185756422 /nfs/dbraw/zinc/75/64/22/185756422.db2.gz YQUYUPITNLPMMG-CQSZACIVSA-N 0 3 305.378 1.998 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000286877128 219206312 /nfs/dbraw/zinc/20/63/12/219206312.db2.gz DXTMTRWWVOOUSX-QMMMGPOBSA-N 0 3 317.748 1.996 20 5 DDBDHN CC[C@]1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCOC1 ZINC000616865324 362852394 /nfs/dbraw/zinc/85/23/94/362852394.db2.gz KMDUWDJNUYAMFT-HNNXBMFYSA-N 0 3 323.349 1.701 20 5 DDBDHN COCCCN(C)CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000152434509 186072489 /nfs/dbraw/zinc/07/24/89/186072489.db2.gz LVEFHICVUXKXLC-CMDGGOBGSA-N 0 3 321.377 1.693 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN(C[C@@H]1CCOC1)C1CC1 ZINC000159744545 186139471 /nfs/dbraw/zinc/13/94/71/186139471.db2.gz YPFTXDLGCOCICW-LBPRGKRZSA-N 0 3 307.350 1.257 20 5 DDBDHN CN(C)[C@@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000068341136 353105017 /nfs/dbraw/zinc/10/50/17/353105017.db2.gz QPFVXQLQTYYFIR-CYBMUJFWSA-N 0 3 320.393 1.949 20 5 DDBDHN CN(C)CCN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000080685118 353622899 /nfs/dbraw/zinc/62/28/99/353622899.db2.gz XNAXAUNWFCZTAC-UHFFFAOYSA-N 0 3 320.393 1.829 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(NC2CCN([C@H]3CCOC3)CC2)n1 ZINC000089603050 353776388 /nfs/dbraw/zinc/77/63/88/353776388.db2.gz CNFQMYSLADVUPL-ZDUSSCGKSA-N 0 3 306.366 1.963 20 5 DDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(C2CC2)C1 ZINC000087191151 353747909 /nfs/dbraw/zinc/74/79/09/353747909.db2.gz CDHUZOQHUQWXIL-ZDUSSCGKSA-N 0 3 303.362 1.880 20 5 DDBDHN C[C@H](O)[C@H]1CCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248470811 354368858 /nfs/dbraw/zinc/36/88/58/354368858.db2.gz VJYJQXLRXJWSBF-BFHYXJOUSA-N 0 3 324.377 1.570 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCCc3sccc32)c1 ZINC000315531648 354494792 /nfs/dbraw/zinc/49/47/92/354494792.db2.gz HDFADFVJGBEWIW-WCQYABFASA-N 0 3 322.390 1.881 20 5 DDBDHN CO[C@@H]1C[C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000459741894 354682843 /nfs/dbraw/zinc/68/28/43/354682843.db2.gz CDIJCGSGZKNIGM-ZIAGYGMSSA-N 0 3 319.361 1.741 20 5 DDBDHN COc1ccc(C(=O)N[C@@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000401739998 354666303 /nfs/dbraw/zinc/66/63/03/354666303.db2.gz FXZMNSHQNBMLJG-VIFPVBQESA-N 0 3 307.228 1.223 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNCCC1(O)CCC1)OCCO2 ZINC000585744101 354835991 /nfs/dbraw/zinc/83/59/91/354835991.db2.gz BAFVQFBDMMSRNH-UHFFFAOYSA-N 0 3 308.334 1.761 20 5 DDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC1COCCOC1 ZINC000589949559 355034460 /nfs/dbraw/zinc/03/44/60/355034460.db2.gz CCCDJWATKRGIIG-LLVKDONJSA-N 0 3 323.349 1.317 20 5 DDBDHN CO[C@@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000590195569 355057658 /nfs/dbraw/zinc/05/76/58/355057658.db2.gz BQGHTDGNKFTQJW-HNNXBMFYSA-N 0 3 308.334 1.881 20 5 DDBDHN NC[C@H]1c2ccccc2CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000592567234 355631294 /nfs/dbraw/zinc/63/12/94/355631294.db2.gz IREBEEUXBHQNRQ-AWEZNQCLSA-N 0 3 300.318 1.621 20 5 DDBDHN COc1ccc(CNCC[C@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000593688852 355967874 /nfs/dbraw/zinc/96/78/74/355967874.db2.gz VTEGBDSXWQCNFF-OAHLLOKOSA-N 0 3 310.350 1.625 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCNC2(CCCCC2)C1 ZINC000594629035 356269539 /nfs/dbraw/zinc/26/95/39/356269539.db2.gz XETOTQVWXBMSNV-UHFFFAOYSA-N 0 3 307.354 1.077 20 5 DDBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@]1(OCCO)CCOC1 ZINC000594974925 356366545 /nfs/dbraw/zinc/36/65/45/356366545.db2.gz NZRTYSRVEOZURZ-LLCTXKFZSA-N 0 3 322.361 1.366 20 5 DDBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@@]1(OCCO)CCOC1 ZINC000594974924 356366614 /nfs/dbraw/zinc/36/66/14/356366614.db2.gz NZRTYSRVEOZURZ-IMMZDGJCSA-N 0 3 322.361 1.366 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](CO)[C@H]1CCOC1 ZINC000595055149 356377465 /nfs/dbraw/zinc/37/74/65/356377465.db2.gz UCFYIRKTLJWLEM-AVGNSLFASA-N 0 3 324.377 1.899 20 5 DDBDHN CC(C)(CO)[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cccnc1 ZINC000595501015 356520481 /nfs/dbraw/zinc/52/04/81/356520481.db2.gz QPBNDFJANLLQGM-AWEZNQCLSA-N 0 3 319.365 1.536 20 5 DDBDHN CN(C(=O)CN[C@H](CO)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000595618016 356580326 /nfs/dbraw/zinc/58/03/26/356580326.db2.gz WCAUVVCTYZPQKX-CQSZACIVSA-N 0 3 307.350 1.308 20 5 DDBDHN C[C@H]1CN(C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596151943 356792626 /nfs/dbraw/zinc/79/26/26/356792626.db2.gz MYSZBNFUPDOZAV-GXFFZTMASA-N 0 3 306.366 1.470 20 5 DDBDHN Cc1ccc([C@@H](C)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000596651202 356942634 /nfs/dbraw/zinc/94/26/34/356942634.db2.gz BGIOSRCCYXVNSA-SNVBAGLBSA-N 0 3 317.349 1.708 20 5 DDBDHN CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000597944538 357393987 /nfs/dbraw/zinc/39/39/87/357393987.db2.gz DVPSDXDCQYHLAB-CYBMUJFWSA-N 0 3 321.377 1.699 20 5 DDBDHN COc1ccc(OCCN2CC[C@@H](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000598647124 357669429 /nfs/dbraw/zinc/66/94/29/357669429.db2.gz BUTVSAKFMWVEFV-CHWSQXEVSA-N 0 3 324.377 1.933 20 5 DDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)CC1(O)CCC1 ZINC000599404073 357923658 /nfs/dbraw/zinc/92/36/58/357923658.db2.gz GZZFXKDGQNKSGV-OAHLLOKOSA-N 0 3 308.378 1.735 20 5 DDBDHN C[C@]1(CO)CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000599624942 357997418 /nfs/dbraw/zinc/99/74/18/357997418.db2.gz ZQEHTKRHPMPOSU-IYBDPMFKSA-N 0 3 308.378 1.450 20 5 DDBDHN COCCNCCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000237320012 202229258 /nfs/dbraw/zinc/22/92/58/202229258.db2.gz PRLZJNWVDIFRMC-UHFFFAOYSA-N 0 3 323.393 1.858 20 5 DDBDHN CN(C)CCn1cc(-c2cc([N+](=O)[O-])ccc2CCO)cn1 ZINC000600795053 358317005 /nfs/dbraw/zinc/31/70/05/358317005.db2.gz WMDZXFJVTSFMBM-UHFFFAOYSA-N 0 3 304.350 1.555 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000601957865 358752933 /nfs/dbraw/zinc/75/29/33/358752933.db2.gz KPTPRVJEWPQDPT-MRXNPFEDSA-N 0 3 316.361 1.737 20 5 DDBDHN COC[C@@]1(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CCCCN1 ZINC000602443409 358979971 /nfs/dbraw/zinc/97/99/71/358979971.db2.gz UWRXEKYCHKYUKD-MLGOLLRUSA-N 0 3 321.377 1.931 20 5 DDBDHN Cn1cc(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484131 359009970 /nfs/dbraw/zinc/00/99/70/359009970.db2.gz HPIFYHOSWNSOLR-SWLSCSKDSA-N 0 3 319.409 1.777 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)CCN1CCCCC1 ZINC000602961573 359324879 /nfs/dbraw/zinc/32/48/79/359324879.db2.gz VLPXVCJKINVHBG-UHFFFAOYSA-N 0 3 321.381 1.670 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997842 359345901 /nfs/dbraw/zinc/34/59/01/359345901.db2.gz RXEPSEKECZRDHI-ILXRZTDVSA-N 0 3 321.377 1.382 20 5 DDBDHN Cn1cc(CN2CCc3ccccc3[C@@H]2CN)c([N+](=O)[O-])n1 ZINC000603428593 359634470 /nfs/dbraw/zinc/63/44/70/359634470.db2.gz KDCMRKLFVQNFBW-AWEZNQCLSA-N 0 3 301.350 1.386 20 5 DDBDHN COCC(=O)NC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603882160 359692048 /nfs/dbraw/zinc/69/20/48/359692048.db2.gz ATYCFEWUXMGQDM-UHFFFAOYSA-N 0 3 321.377 1.364 20 5 DDBDHN COc1ccc(CC(=O)N2CCC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000609213998 360274094 /nfs/dbraw/zinc/27/40/94/360274094.db2.gz NCDBNXDZWSWWOD-ZDUSSCGKSA-N 0 3 321.377 1.699 20 5 DDBDHN CC[C@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281287257 216212934 /nfs/dbraw/zinc/21/29/34/216212934.db2.gz GTLNBITZTVPLCQ-CABCVRRESA-N 0 3 324.377 1.835 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)C[NH+](C)C ZINC000292688276 223202411 /nfs/dbraw/zinc/20/24/11/223202411.db2.gz QAIVFHAVESPPKW-JTQLQIEISA-N 0 3 315.395 1.379 20 5 DDBDHN CC(C)N(C)C[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000349779508 284049728 /nfs/dbraw/zinc/04/97/28/284049728.db2.gz VFGXCJHSQSJODT-NSHDSACASA-N 0 3 315.395 1.602 20 5 DDBDHN C[C@H](NC[C@H](O)COC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000271685690 209125362 /nfs/dbraw/zinc/12/53/62/209125362.db2.gz DIVNHBTUACFMHC-STQMWFEESA-N 0 3 324.377 1.802 20 5 DDBDHN CCCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000282837837 217283836 /nfs/dbraw/zinc/28/38/36/217283836.db2.gz ZVRTULUZKSTZHR-UHFFFAOYSA-N 0 3 322.365 1.511 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000567438727 304219184 /nfs/dbraw/zinc/21/91/84/304219184.db2.gz DPCOCUXGBZUHJR-GFCCVEGCSA-N 0 3 306.366 1.680 20 5 DDBDHN CN1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000110653651 194347450 /nfs/dbraw/zinc/34/74/50/194347450.db2.gz JZKZGFSZUZCGSZ-VIFPVBQESA-N 0 3 308.294 1.185 20 5 DDBDHN CC[C@@H](NC[C@H]1CN(C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268961866 207126684 /nfs/dbraw/zinc/12/66/84/207126684.db2.gz XKTLGIHFIJXNHL-JKSUJKDBSA-N 0 3 306.410 1.881 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000057700542 184047751 /nfs/dbraw/zinc/04/77/51/184047751.db2.gz HCZBRRPWHKGVRK-SNVBAGLBSA-N 0 3 309.370 1.089 20 5 DDBDHN Cc1nn(C)c(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c1[N+](=O)[O-] ZINC000269104751 207243205 /nfs/dbraw/zinc/24/32/05/207243205.db2.gz BLXKJRCGHSHNLZ-NWDGAFQWSA-N 0 3 321.381 1.193 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCC2=CCCOC2)c1 ZINC000567708490 304235780 /nfs/dbraw/zinc/23/57/80/304235780.db2.gz PTAUEPAXUYVKPY-AWEZNQCLSA-N 0 3 308.334 1.271 20 5 DDBDHN CC1(C)CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1 ZINC000119637134 195008049 /nfs/dbraw/zinc/00/80/49/195008049.db2.gz FDZDRMCOTHAZSR-UHFFFAOYSA-N 0 3 316.361 1.829 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H]2CN2CCOCC2)cc1 ZINC000174014518 285112934 /nfs/dbraw/zinc/11/29/34/285112934.db2.gz ONTBZBJYOZXGOM-INIZCTEOSA-N 0 3 305.378 1.891 20 5 DDBDHN COc1ccc(CNC(=O)[C@@]2(C)CCCCN2)cc1[N+](=O)[O-] ZINC000272979725 210360149 /nfs/dbraw/zinc/36/01/49/210360149.db2.gz NZTMONVKUPPBJY-OAHLLOKOSA-N 0 3 307.350 1.752 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@]1(C)CCO[C@H]1C ZINC000494237777 533138334 /nfs/dbraw/zinc/13/83/34/533138334.db2.gz MZHXHRJWLUZGTJ-ZUZCIYMTSA-N 0 3 323.349 1.699 20 5 DDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000120549035 195188357 /nfs/dbraw/zinc/18/83/57/195188357.db2.gz NFQPZUUGNMGDEL-OCCSQVGLSA-N 0 3 305.378 1.936 20 5 DDBDHN COc1ccc(CNC[C@@](C)(O)CSC)cc1[N+](=O)[O-] ZINC000120681762 195215278 /nfs/dbraw/zinc/21/52/78/195215278.db2.gz DJHPSUVAKKRVOC-CYBMUJFWSA-N 0 3 300.380 1.807 20 5 DDBDHN Cc1c([C@H](C)NC[C@@H](O)Cn2ccnn2)cccc1[N+](=O)[O-] ZINC000414203624 224311472 /nfs/dbraw/zinc/31/14/72/224311472.db2.gz ZPTFYAYXZHGWKA-NWDGAFQWSA-N 0 3 305.338 1.206 20 5 DDBDHN Cc1c([C@@H](C)NC[C@H](O)Cn2ccnn2)cccc1[N+](=O)[O-] ZINC000414203621 224311675 /nfs/dbraw/zinc/31/16/75/224311675.db2.gz ZPTFYAYXZHGWKA-NEPJUHHUSA-N 0 3 305.338 1.206 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079338050 407054749 /nfs/dbraw/zinc/05/47/49/407054749.db2.gz MTPFJCKOTWKOPH-ZDUSSCGKSA-N 0 3 320.393 1.632 20 5 DDBDHN Cc1nn(C)c(C(=O)NCCN2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000098104764 407306031 /nfs/dbraw/zinc/30/60/31/407306031.db2.gz SYARJVSSKLPADA-JTQLQIEISA-N 0 3 309.370 1.241 20 5 DDBDHN Cn1ccnc1C[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000123722109 407336980 /nfs/dbraw/zinc/33/69/80/407336980.db2.gz GIWNPGBYNHRANB-CYBMUJFWSA-N 0 3 318.381 1.480 20 5 DDBDHN CN1CCC[C@@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000108340213 407384715 /nfs/dbraw/zinc/38/47/15/407384715.db2.gz FHKXVIWLIHAZIB-ZDUSSCGKSA-N 0 3 320.393 1.855 20 5 DDBDHN O=C(NC[C@@H](O)CN1CCCCC1)c1csc([N+](=O)[O-])c1 ZINC000178506838 407476713 /nfs/dbraw/zinc/47/67/13/407476713.db2.gz JJFATZOQXNQTIM-LLVKDONJSA-N 0 3 313.379 1.233 20 5 DDBDHN C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)N1[C@H](C)CC[C@H]1C ZINC000129965352 407639430 /nfs/dbraw/zinc/63/94/30/407639430.db2.gz RUTCSOCQJFSGIP-UTUOFQBUSA-N 0 3 309.370 1.169 20 5 DDBDHN Nc1c(C(=O)N2CC[C@H](N3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000267245812 407806884 /nfs/dbraw/zinc/80/68/84/407806884.db2.gz JVSBXCOGAMMUFB-LBPRGKRZSA-N 0 3 318.377 1.877 20 5 DDBDHN C[C@@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000237463450 407822173 /nfs/dbraw/zinc/82/21/73/407822173.db2.gz QBRLMXRXHKWRGY-MRUFAENASA-N 0 3 307.325 1.956 20 5 DDBDHN Cc1nn(CCC(=O)N(C)[C@H]2CCCN(C)C2)c(C)c1[N+](=O)[O-] ZINC000153760558 407896949 /nfs/dbraw/zinc/89/69/49/407896949.db2.gz MERJHNTWXQVHTB-ZDUSSCGKSA-N 0 3 323.397 1.351 20 5 DDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)N1CCC[C@@H](C)C1 ZINC000180530402 407898773 /nfs/dbraw/zinc/89/87/73/407898773.db2.gz TWUVZLYIPOEJHV-MNOVXSKESA-N 0 3 321.381 1.422 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000268233463 407961595 /nfs/dbraw/zinc/96/15/95/407961595.db2.gz SPFXCJDDDMBGAL-RISCZKNCSA-N 0 3 318.377 1.606 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000268276223 407981556 /nfs/dbraw/zinc/98/15/56/407981556.db2.gz WGHODFVLYIRGOD-ABAIWWIYSA-N 0 3 303.362 1.736 20 5 DDBDHN COc1cc(C(=O)N2CCC[C@@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000268183345 407934209 /nfs/dbraw/zinc/93/42/09/407934209.db2.gz RJAKIXCNOSOMDH-GFCCVEGCSA-N 0 3 307.350 1.770 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272570166 407988722 /nfs/dbraw/zinc/98/87/22/407988722.db2.gz FTCDKOMRRXAYDK-IUODEOHRSA-N 0 3 319.361 1.526 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000272672217 408009213 /nfs/dbraw/zinc/00/92/13/408009213.db2.gz TYOQGPOYXPPVKK-GHMZBOCLSA-N 0 3 321.381 1.608 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000272672217 408009217 /nfs/dbraw/zinc/00/92/17/408009217.db2.gz TYOQGPOYXPPVKK-GHMZBOCLSA-N 0 3 321.381 1.608 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000272937208 408016941 /nfs/dbraw/zinc/01/69/41/408016941.db2.gz LOBTVBQDHRFCOK-NSHDSACASA-N 0 3 319.361 1.984 20 5 DDBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000245872947 408088041 /nfs/dbraw/zinc/08/80/41/408088041.db2.gz HEQZTKKFBGNFQS-QWRGUYRKSA-N 0 3 309.370 1.179 20 5 DDBDHN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000189897479 408131837 /nfs/dbraw/zinc/13/18/37/408131837.db2.gz YCGGCAVWBMVKGD-CYBMUJFWSA-N 0 3 307.394 1.872 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000269489603 408329438 /nfs/dbraw/zinc/32/94/38/408329438.db2.gz LHTFLKMDZJJGKW-MNOVXSKESA-N 0 3 321.381 1.750 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000269489603 408329441 /nfs/dbraw/zinc/32/94/41/408329441.db2.gz LHTFLKMDZJJGKW-MNOVXSKESA-N 0 3 321.381 1.750 20 5 DDBDHN COCCN1CCC(NC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000138538066 162131205 /nfs/dbraw/zinc/13/12/05/162131205.db2.gz ZRECOAMJMDEESA-UHFFFAOYSA-N 0 3 321.377 1.744 20 5 DDBDHN CCN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000171268644 162211327 /nfs/dbraw/zinc/21/13/27/162211327.db2.gz ZVQQJKGEKXIQBQ-LBPRGKRZSA-N 0 3 307.350 1.818 20 5 DDBDHN COCCCN(CCOC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269672027 408384104 /nfs/dbraw/zinc/38/41/04/408384104.db2.gz OIJYPOMPDYHCHJ-HNNXBMFYSA-N 0 3 312.366 1.613 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177213547 408551521 /nfs/dbraw/zinc/55/15/21/408551521.db2.gz CNXGJJXMYGKGBZ-ZYHUDNBSSA-N 0 3 321.381 1.231 20 5 DDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000177769368 408708062 /nfs/dbraw/zinc/70/80/62/408708062.db2.gz WFTIFYXRHNYCBL-OLZOCXBDSA-N 0 3 321.381 1.185 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CNCC[C@H]1C ZINC000193398627 408716768 /nfs/dbraw/zinc/71/67/68/408716768.db2.gz WVZPRUIPQATBIB-SKDRFNHKSA-N 0 3 313.379 1.180 20 5 DDBDHN CC(C)[C@@H](CCO)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000162196193 408679278 /nfs/dbraw/zinc/67/92/78/408679278.db2.gz MUZBIMLARIIAQE-HUUCEWRRSA-N 0 3 321.377 1.697 20 5 DDBDHN Cc1cc([N+](=O)[O-])nn1C[C@@H](O)CN1CCc2ccccc2C1 ZINC000184767552 408685948 /nfs/dbraw/zinc/68/59/48/408685948.db2.gz XNKFPHAXEVZWNE-HNNXBMFYSA-N 0 3 316.361 1.519 20 5 DDBDHN C[C@H](CN1CCCCCC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000185429616 408807505 /nfs/dbraw/zinc/80/75/05/408807505.db2.gz QBFCPVRHJFQZFI-LLVKDONJSA-N 0 3 309.370 1.323 20 5 DDBDHN O=C(CCN1CCC[C@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185167409 408773676 /nfs/dbraw/zinc/77/36/76/408773676.db2.gz IBMMZVQTLRBKMH-NSHDSACASA-N 0 3 311.313 1.519 20 5 DDBDHN Cc1noc(C)c1C(C)(C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000285717102 408849327 /nfs/dbraw/zinc/84/93/27/408849327.db2.gz PVVPZSYUBIDZID-LBPRGKRZSA-N 0 3 323.353 1.282 20 5 DDBDHN NC(=O)c1ccnc(NC[C@@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000290986577 408856309 /nfs/dbraw/zinc/85/63/09/408856309.db2.gz SKENCUVPBAIZIN-NSHDSACASA-N 0 3 319.365 1.518 20 5 DDBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H](O)CO)s1 ZINC000276781575 408895880 /nfs/dbraw/zinc/89/58/80/408895880.db2.gz PPTXCNNJAISYOS-JTQLQIEISA-N 0 3 308.359 1.766 20 5 DDBDHN CN1CC[C@]2(CCN(C(=O)NCc3ccccc3[N+](=O)[O-])C2)C1 ZINC000291757936 408918824 /nfs/dbraw/zinc/91/88/24/408918824.db2.gz UOCMNPPLXIUUFI-INIZCTEOSA-N 0 3 318.377 1.832 20 5 DDBDHN O=[N+]([O-])c1cnc2ccccc2c1N1CCCN(CCO)CC1 ZINC000291805457 408925566 /nfs/dbraw/zinc/92/55/66/408925566.db2.gz FBLKZFMCKAHAFY-UHFFFAOYSA-N 0 3 316.361 1.647 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC1CCN(CCN(C)C)CC1 ZINC000192491496 163225352 /nfs/dbraw/zinc/22/53/52/163225352.db2.gz OVCWCUHPZQBMDU-UHFFFAOYSA-N 0 3 324.429 1.558 20 5 DDBDHN CCCC[C@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000236778902 163362035 /nfs/dbraw/zinc/36/20/35/163362035.db2.gz RABHPYKTJISMTQ-HNNXBMFYSA-N 0 3 320.393 1.761 20 5 DDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000277508390 408954234 /nfs/dbraw/zinc/95/42/34/408954234.db2.gz KRUFBJJJAMRANU-LBPRGKRZSA-N 0 3 318.377 1.924 20 5 DDBDHN C[C@@H]1COCC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000277522702 408957147 /nfs/dbraw/zinc/95/71/47/408957147.db2.gz QYRVZTNAILIVFE-RISCZKNCSA-N 0 3 319.361 1.499 20 5 DDBDHN COC(=O)CNC(=O)CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292119376 408985019 /nfs/dbraw/zinc/98/50/19/408985019.db2.gz JYXACTNMDXLJLY-UHFFFAOYSA-N 0 3 323.349 1.099 20 5 DDBDHN C[C@H](N[C@@H]1CCOC[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000278017607 409052042 /nfs/dbraw/zinc/05/20/42/409052042.db2.gz WFLGHYFZXJEHGE-UHIISALHSA-N 0 3 307.350 1.936 20 5 DDBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000278814248 409094616 /nfs/dbraw/zinc/09/46/16/409094616.db2.gz SOUQIJLIJFPBQK-GFCCVEGCSA-N 0 3 306.366 1.679 20 5 DDBDHN COCCCN(C)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284229742 409300222 /nfs/dbraw/zinc/30/02/22/409300222.db2.gz UMSDPPXVCFYABN-GFCCVEGCSA-N 0 3 310.398 1.796 20 5 DDBDHN C[C@@H](NCC1(C(N)=O)CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284053095 409265669 /nfs/dbraw/zinc/26/56/69/409265669.db2.gz KKQFQFAWKYNAHA-SNVBAGLBSA-N 0 3 306.366 1.873 20 5 DDBDHN COc1ccc(NC(=O)CN[C@H]2CCOC2(C)C)c([N+](=O)[O-])c1 ZINC000295244175 409393457 /nfs/dbraw/zinc/39/34/57/409393457.db2.gz PRXZRWGYBQXPAV-ZDUSSCGKSA-N 0 3 323.349 1.699 20 5 DDBDHN CN(C[C@H](O)COc1ccc([N+](=O)[O-])c2ncccc12)C1CC1 ZINC000324467572 164050763 /nfs/dbraw/zinc/05/07/63/164050763.db2.gz ZFTVOBTWXUSMDM-LBPRGKRZSA-N 0 3 317.345 1.977 20 5 DDBDHN COc1cc(C(=O)N[C@H](C)CN(C)C)cc([N+](=O)[O-])c1OC ZINC000346253271 409877562 /nfs/dbraw/zinc/87/75/62/409877562.db2.gz GWWRYGNXTVZYAS-SECBINFHSA-N 0 3 311.338 1.292 20 5 DDBDHN C[C@@H]1C[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CN1C1CC1 ZINC000357534211 410090029 /nfs/dbraw/zinc/09/00/29/410090029.db2.gz QSAFVXGTPYHUAP-ZJUUUORDSA-N 0 3 304.350 1.731 20 5 DDBDHN COc1c(C(=O)N2C[C@H]3CCCN3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000332671548 410202476 /nfs/dbraw/zinc/20/24/76/410202476.db2.gz ZQYJLPVWNKONAF-VXGBXAGGSA-N 0 3 319.361 1.912 20 5 DDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000355341120 410454800 /nfs/dbraw/zinc/45/48/00/410454800.db2.gz OQQITCHXZGDIMO-OAHLLOKOSA-N 0 3 321.377 1.778 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000343441161 410455497 /nfs/dbraw/zinc/45/54/97/410455497.db2.gz BXNVMZSQHMQHPT-BXUZGUMPSA-N 0 3 307.350 1.573 20 5 DDBDHN COc1cc(C[NH2+]C2CCN(C(C)=O)CC2)c([N+](=O)[O-])cc1[O-] ZINC000330493307 410727794 /nfs/dbraw/zinc/72/77/94/410727794.db2.gz MHZQGYMTHVYOLC-UHFFFAOYSA-N 0 3 323.349 1.410 20 5 DDBDHN C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000330560762 410778822 /nfs/dbraw/zinc/77/88/22/410778822.db2.gz HVPLTSJTTGJUNV-QWRGUYRKSA-N 0 3 309.370 1.179 20 5 DDBDHN COc1ccc(OCCN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000344054456 410924232 /nfs/dbraw/zinc/92/42/32/410924232.db2.gz IXZSRJJQWUKLAJ-NJZAAPMLSA-N 0 3 322.361 1.685 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)C2CCN(C(C)C)CC2)n1 ZINC000331192800 411009553 /nfs/dbraw/zinc/00/95/53/411009553.db2.gz KRGSASFZFFTBBK-UHFFFAOYSA-N 0 3 323.397 1.756 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000129299805 196037720 /nfs/dbraw/zinc/03/77/20/196037720.db2.gz RCDQJVGLZQWCKR-OAHLLOKOSA-N 0 3 305.378 1.749 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000191950787 418522889 /nfs/dbraw/zinc/52/28/89/418522889.db2.gz GPWIAORYRPDEED-CABCVRRESA-N 0 3 302.334 1.911 20 5 DDBDHN Cc1cc(C)c(S(=O)(=O)NCCNC2CC2)cc1[N+](=O)[O-] ZINC000193258195 418530690 /nfs/dbraw/zinc/53/06/90/418530690.db2.gz NFIWDSRLAAHADQ-UHFFFAOYSA-N 0 3 313.379 1.242 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C[C@H]21 ZINC000374821223 418565218 /nfs/dbraw/zinc/56/52/18/418565218.db2.gz DYRXLKABHMWOTP-LKFCYVNXSA-N 0 3 322.340 1.482 20 5 DDBDHN CCc1n[nH]c(C(=O)N(CCN(C)C)CC(C)C)c1[N+](=O)[O-] ZINC000192526664 222129543 /nfs/dbraw/zinc/12/95/43/222129543.db2.gz DIZJABQHIRKUQF-UHFFFAOYSA-N 0 3 311.386 1.540 20 5 DDBDHN CCc1[nH]nc(C(=O)N(CCN(C)C)CC(C)C)c1[N+](=O)[O-] ZINC000192526664 222129546 /nfs/dbraw/zinc/12/95/46/222129546.db2.gz DIZJABQHIRKUQF-UHFFFAOYSA-N 0 3 311.386 1.540 20 5 DDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H](CO)CN1CCCCC1 ZINC000296486200 418587649 /nfs/dbraw/zinc/58/76/49/418587649.db2.gz XTLUGZHXGBKUJV-ZDUSSCGKSA-N 0 3 322.365 1.563 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCC(O[C@H]3CCOC3)CC2)c1 ZINC000361444041 418654417 /nfs/dbraw/zinc/65/44/17/418654417.db2.gz GEHCIKVUKJSTJB-AWEZNQCLSA-N 0 3 310.354 1.061 20 5 DDBDHN COC(=O)c1cc(NC(=O)[C@H]2CCCCCN2)cc([N+](=O)[O-])c1 ZINC000372492016 418877366 /nfs/dbraw/zinc/87/73/66/418877366.db2.gz QDTGCVMGOJKCTC-CYBMUJFWSA-N 0 3 321.333 1.852 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNC1(CO)C2CC3CC(C2)CC1C3 ZINC000412001541 419555928 /nfs/dbraw/zinc/55/59/28/419555928.db2.gz HBYGVRWOMXEHHY-UHFFFAOYSA-N 0 3 320.393 1.605 20 5 DDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN1C1CC1 ZINC000426996319 419577252 /nfs/dbraw/zinc/57/72/52/419577252.db2.gz ZHQCRMQLSDOWCQ-HNNXBMFYSA-N 0 3 303.362 1.880 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000427058711 419589399 /nfs/dbraw/zinc/58/93/99/419589399.db2.gz FIPLTUINBOLBGI-ZWNOBZJWSA-N 0 3 307.350 1.816 20 5 DDBDHN CN(C[C@H]1CCCN1C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000421707886 419693758 /nfs/dbraw/zinc/69/37/58/419693758.db2.gz YOQZIVPRJXSWGK-GFCCVEGCSA-N 0 3 307.350 1.526 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H]1CCCN1C ZINC000421710480 419698262 /nfs/dbraw/zinc/69/82/62/419698262.db2.gz KVPSHHAESKRTLK-LBPRGKRZSA-N 0 3 307.350 1.770 20 5 DDBDHN N[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCC1 ZINC000423418530 420046042 /nfs/dbraw/zinc/04/60/42/420046042.db2.gz UUPIIVIABIBYMX-FZMZJTMJSA-N 0 3 319.365 1.130 20 5 DDBDHN CNc1c(C(=O)NC[C@](C)(O)CCN(C)C)cccc1[N+](=O)[O-] ZINC000420022032 420095094 /nfs/dbraw/zinc/09/50/94/420095094.db2.gz VIIMAVIPMHBEIO-OAHLLOKOSA-N 0 3 324.381 1.069 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]([NH3+])C(C)C)c1C ZINC000440407105 420574810 /nfs/dbraw/zinc/57/48/10/420574810.db2.gz NEETYNYKTOBUJL-LLVKDONJSA-N 0 3 315.395 1.473 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CC[NH2+]C2)c1C ZINC000440841228 420612287 /nfs/dbraw/zinc/61/22/87/420612287.db2.gz CGOLWILLYHMYFW-NSHDSACASA-N 0 3 313.379 1.099 20 5 DDBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000457108889 420616229 /nfs/dbraw/zinc/61/62/29/420616229.db2.gz GIXVHPZXYQOKEV-LLVKDONJSA-N 0 3 306.366 1.732 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CN(C)CCN1C ZINC000449138851 420958683 /nfs/dbraw/zinc/95/86/83/420958683.db2.gz JEMXUEFKZVUKRL-UKRRQHHQSA-N 0 3 306.410 1.361 20 5 DDBDHN C[C@@H]1C[C@H]1C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000488414975 421088889 /nfs/dbraw/zinc/08/88/89/421088889.db2.gz GCWMTSBBMIQQMS-MNOVXSKESA-N 0 3 313.379 1.119 20 5 DDBDHN CNc1nc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455906629 421075040 /nfs/dbraw/zinc/07/50/40/421075040.db2.gz GLAYHKVWDQNKHC-CMPLNLGQSA-N 0 3 321.381 1.490 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCCN1CCCO ZINC000450588461 421213163 /nfs/dbraw/zinc/21/31/63/421213163.db2.gz BIMRBXQMUFZSPM-LBPRGKRZSA-N 0 3 311.386 1.378 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CCCN1CCCO ZINC000450594319 421214327 /nfs/dbraw/zinc/21/43/27/421214327.db2.gz KIICISMXHIRXGT-LLVKDONJSA-N 0 3 314.773 1.902 20 5 DDBDHN CN1CCC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000517456856 421614502 /nfs/dbraw/zinc/61/45/02/421614502.db2.gz AROHNCIZNBEXQR-SNVBAGLBSA-N 0 3 321.333 1.395 20 5 DDBDHN CC1(C)CCN(CC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000553544423 421619509 /nfs/dbraw/zinc/61/95/09/421619509.db2.gz KLZOGUXXDBCXPP-UHFFFAOYSA-N 0 3 305.378 1.985 20 5 DDBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CCN(C2CCC2)C1 ZINC000553864866 421626399 /nfs/dbraw/zinc/62/63/99/421626399.db2.gz BBYFHVYMWSUJKU-GFCCVEGCSA-N 0 3 320.393 1.880 20 5 DDBDHN Nc1n[nH]c(C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000590600321 422322630 /nfs/dbraw/zinc/32/26/30/422322630.db2.gz NGPKSUZVXPKMBR-UHFFFAOYSA-N 0 3 316.365 1.717 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](c2cccnc2)C1 ZINC000578765184 422643627 /nfs/dbraw/zinc/64/36/27/422643627.db2.gz LFHJZLNFMFEOMD-CQSZACIVSA-N 0 3 314.345 1.641 20 5 DDBDHN CN(C)C(=O)CCN1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000344412698 272018778 /nfs/dbraw/zinc/01/87/78/272018778.db2.gz WBAKEQRVKVUAHI-UHFFFAOYSA-N 0 3 321.381 1.344 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@@H]1C(=O)NC ZINC000345819386 272343467 /nfs/dbraw/zinc/34/34/67/272343467.db2.gz PPWOPJJKURYVNF-UONOGXRCSA-N 0 3 321.377 1.998 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000294023925 276041020 /nfs/dbraw/zinc/04/10/20/276041020.db2.gz ZHOYELSPTFWFJZ-OAHLLOKOSA-N 0 3 321.381 1.609 20 5 DDBDHN CN1CC[C@H]2[C@@H](CCCN2c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000302709284 277182144 /nfs/dbraw/zinc/18/21/44/277182144.db2.gz DDRCDJFGXZZMDV-RYUDHWBXSA-N 0 3 316.365 1.558 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358063745 299062433 /nfs/dbraw/zinc/06/24/33/299062433.db2.gz ZXMZVNHOGRTVFK-INIZCTEOSA-N 0 3 321.377 1.316 20 5 DDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)Nc1cccc([N+](=O)[O-])c1 ZINC000363094696 300209702 /nfs/dbraw/zinc/20/97/02/300209702.db2.gz HJUNASPVYGGADS-ZIAGYGMSSA-N 0 3 320.349 1.580 20 5 DDBDHN C[C@@H](CN1CCOCC1)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019286 301120219 /nfs/dbraw/zinc/12/02/19/301120219.db2.gz XLGWVRMUWQDWJT-KBPBESRZSA-N 0 3 323.397 1.149 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@]3(CCCCO3)C2)c1 ZINC000370095055 301274712 /nfs/dbraw/zinc/27/47/12/301274712.db2.gz RDARFGGVVWUZON-HUUCEWRRSA-N 0 3 324.381 1.187 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2cccnc2)c1 ZINC000556601363 303744984 /nfs/dbraw/zinc/74/49/84/303744984.db2.gz KOTQIFNZBKAFDL-AWEZNQCLSA-N 0 3 303.318 1.519 20 5 DDBDHN CCO[C@@H]1COCC[C@H]1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000362009974 307012342 /nfs/dbraw/zinc/01/23/42/307012342.db2.gz BQVQQWOWJMTAQA-IUODEOHRSA-N 0 3 310.350 1.887 20 5 DDBDHN CSC[C@@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365126883 307059877 /nfs/dbraw/zinc/05/98/77/307059877.db2.gz UFGHHWLKTQEUQS-NSHDSACASA-N 0 3 300.384 1.152 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]2OCC[C@H]21 ZINC000366471691 307074537 /nfs/dbraw/zinc/07/45/37/307074537.db2.gz ICWKESIPZMEXMG-GZBFAFLISA-N 0 3 322.361 1.588 20 5 DDBDHN CCN(C)C(=O)CCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369001202 307113997 /nfs/dbraw/zinc/11/39/97/307113997.db2.gz KZNTXMAKBHAXMF-GFCCVEGCSA-N 0 3 309.370 1.297 20 5 DDBDHN Cc1nn(C)c(C)c1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369493130 307121880 /nfs/dbraw/zinc/12/18/80/307121880.db2.gz KDSJNJUCBYNUCY-UHFFFAOYSA-N 0 3 318.381 1.979 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@](O)(C3CC3)C2)c1 ZINC000373907802 307197996 /nfs/dbraw/zinc/19/79/96/307197996.db2.gz GQMQEIDHNYGMMN-HOCLYGCPSA-N 0 3 322.361 1.181 20 5 DDBDHN COC(=O)[C@@]12CCC[C@@H]1CN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC000374695376 307211809 /nfs/dbraw/zinc/21/18/09/307211809.db2.gz FNIMJXROSTXSGG-BXUZGUMPSA-N 0 3 308.338 1.066 20 5 DDBDHN CC1(C)[C@H](O)C[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000578080380 308435821 /nfs/dbraw/zinc/43/58/21/308435821.db2.gz VCIPYLUFEUKSNS-ZIAGYGMSSA-N 0 3 319.361 1.233 20 5 DDBDHN Cc1c(CN2C[C@@H](C)N(CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000419331778 533847550 /nfs/dbraw/zinc/84/75/50/533847550.db2.gz RUTJOXPZBVJYDN-CHWSQXEVSA-N 0 3 307.394 1.790 20 5 DDBDHN O=C(NC[C@H]1CCCN1CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000452347589 534642291 /nfs/dbraw/zinc/64/22/91/534642291.db2.gz IYHRNZVZMMJIJJ-CQSZACIVSA-N 0 3 307.350 1.171 20 5 DDBDHN C[C@@H]1CCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820715696 599084466 /nfs/dbraw/zinc/08/44/66/599084466.db2.gz CQTJEVHWEUTQGW-SECBINFHSA-N 0 3 318.341 1.066 20 5 DDBDHN C[C@@H]1CCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820715696 599084467 /nfs/dbraw/zinc/08/44/67/599084467.db2.gz CQTJEVHWEUTQGW-SECBINFHSA-N 0 3 318.341 1.066 20 5 DDBDHN C[C@@H]1CCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820715696 599084470 /nfs/dbraw/zinc/08/44/70/599084470.db2.gz CQTJEVHWEUTQGW-SECBINFHSA-N 0 3 318.341 1.066 20 5 DDBDHN C[C@@H]1CCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820715696 599084474 /nfs/dbraw/zinc/08/44/74/599084474.db2.gz CQTJEVHWEUTQGW-SECBINFHSA-N 0 3 318.341 1.066 20 5 DDBDHN CN(C[C@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736846694 598797604 /nfs/dbraw/zinc/79/76/04/598797604.db2.gz ALQRNZIWPALNDW-JTQLQIEISA-N 0 3 317.353 1.163 20 5 DDBDHN CN(C[C@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736846694 598797605 /nfs/dbraw/zinc/79/76/05/598797605.db2.gz ALQRNZIWPALNDW-JTQLQIEISA-N 0 3 317.353 1.163 20 5 DDBDHN CN(C[C@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736846694 598797607 /nfs/dbraw/zinc/79/76/07/598797607.db2.gz ALQRNZIWPALNDW-JTQLQIEISA-N 0 3 317.353 1.163 20 5 DDBDHN CN(C[C@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736846694 598797609 /nfs/dbraw/zinc/79/76/09/598797609.db2.gz ALQRNZIWPALNDW-JTQLQIEISA-N 0 3 317.353 1.163 20 5 DDBDHN CNC(=O)[C@@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582445 698121629 /nfs/dbraw/zinc/12/16/29/698121629.db2.gz QOYVJOBTSZLIDS-OCCSQVGLSA-N 0 3 307.350 1.086 20 5 DDBDHN CNc1c(C(=O)NCCN2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000783913972 698891912 /nfs/dbraw/zinc/89/19/12/698891912.db2.gz FHEWKSDZIQPGPM-LLVKDONJSA-N 0 3 306.366 1.851 20 5 DDBDHN CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000732165310 699548657 /nfs/dbraw/zinc/54/86/57/699548657.db2.gz DZCMTFNIOPBJBW-GFCCVEGCSA-N 0 3 304.350 1.486 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000742058398 699858910 /nfs/dbraw/zinc/85/89/10/699858910.db2.gz BDMDYHXZBOONGU-STQMWFEESA-N 0 3 319.361 1.496 20 5 DDBDHN Cc1nn(CN(C)CC2CCOCC2)c2ncc([N+](=O)[O-])cc12 ZINC000767982653 701150338 /nfs/dbraw/zinc/15/03/38/701150338.db2.gz LFOVFJWYRYOMHP-UHFFFAOYSA-N 0 3 319.365 1.964 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](CCO)C1CC1 ZINC000771806571 701331848 /nfs/dbraw/zinc/33/18/48/701331848.db2.gz XBJPOXDSRSIEBE-GFCCVEGCSA-N 0 3 307.350 1.592 20 5 DDBDHN CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000839761305 701815110 /nfs/dbraw/zinc/81/51/10/701815110.db2.gz MJMPPLVWRJVAFE-RBSFLKMASA-N 0 3 303.362 1.037 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000816954720 702238720 /nfs/dbraw/zinc/23/87/20/702238720.db2.gz JJNZEHZHEDHZFL-NOZJJQNGSA-N 0 3 320.305 1.279 20 5 DDBDHN COc1ccc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813103118 702291080 /nfs/dbraw/zinc/29/10/80/702291080.db2.gz OCMGLFBZVYBXPB-WDEREUQCSA-N 0 3 322.317 1.257 20 5 DDBDHN CC(COC(=O)CCN1C(=O)CCc2ccccc21)[N+](=O)[O-] ZINC000813102265 702291268 /nfs/dbraw/zinc/29/12/68/702291268.db2.gz CYKJSFJSECRJTD-NSHDSACASA-N 0 3 306.318 1.564 20 5 DDBDHN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813107617 702294228 /nfs/dbraw/zinc/29/42/28/702294228.db2.gz PFTLSJPFBUAFMK-QMMMGPOBSA-N 0 3 323.305 1.425 20 5 DDBDHN COCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccccc1 ZINC000813108016 702294457 /nfs/dbraw/zinc/29/44/57/702294457.db2.gz TWAQHIAUOHKGGF-LLVKDONJSA-N 0 3 319.317 1.841 20 5 DDBDHN CC(COC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)[N+](=O)[O-] ZINC000813109402 702295423 /nfs/dbraw/zinc/29/54/23/702295423.db2.gz RUEBHVSDJGSQET-MWLCHTKSSA-N 0 3 313.331 1.156 20 5 DDBDHN CC(COC(=O)CCCOc1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000813115313 702298927 /nfs/dbraw/zinc/29/89/27/702298927.db2.gz OUUXWXCUACMJNG-SNVBAGLBSA-N 0 3 311.290 1.783 20 5 DDBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1S(C)(=O)=O ZINC000813114797 702299274 /nfs/dbraw/zinc/29/92/74/702299274.db2.gz WPHPMMIIQXZXHV-SECBINFHSA-N 0 3 301.320 1.221 20 5 DDBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H](CO)c1ccnn1C ZINC000866394818 706688842 /nfs/dbraw/zinc/68/88/42/706688842.db2.gz GJKQLXLPUJYELI-MFKMUULPSA-N 0 3 322.340 1.722 20 5 DDBDHN CC([C@@H](OC(=O)CC1OCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845884083 703212388 /nfs/dbraw/zinc/21/23/88/703212388.db2.gz XHDCXWMWAUYPTC-LKFCYVNXSA-N 0 3 313.281 1.838 20 5 DDBDHN C[C@@H]1C[C@@H]1N1C[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000819120949 704072154 /nfs/dbraw/zinc/07/21/54/704072154.db2.gz DKGYFUDZFQQUAN-UEEZHKSASA-N 0 3 319.361 1.227 20 5 DDBDHN CC1(C)OCC(NCCC(=O)Nc2ccccc2[N+](=O)[O-])CO1 ZINC000819226758 704090347 /nfs/dbraw/zinc/09/03/47/704090347.db2.gz XGKDEQYYCCDTOW-UHFFFAOYSA-N 0 3 323.349 1.665 20 5 DDBDHN CC(=O)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3C)C[C@H]2C1 ZINC000821322269 704390509 /nfs/dbraw/zinc/39/05/09/704390509.db2.gz FWPNHRAPXVQTKX-GASCZTMLSA-N 0 3 303.362 1.813 20 5 DDBDHN CNc1nccc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874830013 705188231 /nfs/dbraw/zinc/18/82/31/705188231.db2.gz PRIKSHOALVPETQ-VXGBXAGGSA-N 0 3 319.365 1.340 20 5 DDBDHN CC1CCN(CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825078715 705595586 /nfs/dbraw/zinc/59/55/86/705595586.db2.gz AKRSLBJBUKUSJJ-OAHLLOKOSA-N 0 3 321.377 1.476 20 5 DDBDHN CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000861893152 705597143 /nfs/dbraw/zinc/59/71/43/705597143.db2.gz GDZNPWOFVUBRMH-UHFFFAOYSA-N 0 3 306.366 1.733 20 5 DDBDHN CS[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H]1N(C)C ZINC000827426504 705997676 /nfs/dbraw/zinc/99/76/76/705997676.db2.gz SAWUMMKBIUZZTE-QWRGUYRKSA-N 0 3 303.428 1.326 20 5 DDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000865057856 706338425 /nfs/dbraw/zinc/33/84/25/706338425.db2.gz FXDTVXVYTQFIDS-GHMZBOCLSA-N 0 3 323.324 1.327 20 5 DDBDHN O=C1CC2(CCC2)N(CCOc2cccc([N+](=O)[O-])c2)CCN1 ZINC000880171207 706900466 /nfs/dbraw/zinc/90/04/66/706900466.db2.gz VSOINYJQFSYQLQ-UHFFFAOYSA-N 0 3 319.361 1.718 20 5 DDBDHN CN(C)Cc1cccc(C(=O)OCCn2cc([N+](=O)[O-])cn2)c1 ZINC000835337962 707226652 /nfs/dbraw/zinc/22/66/52/707226652.db2.gz YCAKVGMIOCJOOR-UHFFFAOYSA-N 0 3 318.333 1.710 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCCN3CCO)n1 ZINC000897221942 708259413 /nfs/dbraw/zinc/25/94/13/708259413.db2.gz QOMCJTZXKNQCEC-STQMWFEESA-N 0 3 306.366 1.334 20 5 DDBDHN O=[N+]([O-])c1cnc(NCCN2CC[C@H](O)C2)c2ccccc21 ZINC000884568614 708330982 /nfs/dbraw/zinc/33/09/82/708330982.db2.gz PSBJDDQYGULHIL-NSHDSACASA-N 0 3 302.334 1.622 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@]1(C)CN2CCC1CC2 ZINC000892794940 710501030 /nfs/dbraw/zinc/50/10/30/710501030.db2.gz YUGHOPAPOCPHHI-OAHLLOKOSA-N 0 3 321.381 1.090 20 5 DDBDHN COc1ccc(C(=O)N[C@@]2(C)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000892800263 710502363 /nfs/dbraw/zinc/50/23/63/710502363.db2.gz NMGFYFPQXJRYDL-INIZCTEOSA-N 0 3 319.361 1.818 20 5 DDBDHN CCN1CCC[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000905550271 712074111 /nfs/dbraw/zinc/07/41/11/712074111.db2.gz IRFUPLCXCRUEEN-UONOGXRCSA-N 0 3 307.350 1.229 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1C ZINC000908347227 712748090 /nfs/dbraw/zinc/74/80/90/712748090.db2.gz KRPHHXCWHVBQRK-OCCSQVGLSA-N 0 3 303.362 1.988 20 5 DDBDHN CC[C@@H](CO)N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000915875804 713434327 /nfs/dbraw/zinc/43/43/27/713434327.db2.gz XGYMGTCXHHFSFZ-UWVGGRQHSA-N 0 3 311.338 1.291 20 5 DDBDHN CC[C@H](CO)N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000915875805 713434353 /nfs/dbraw/zinc/43/43/53/713434353.db2.gz XGYMGTCXHHFSFZ-VHSXEESVSA-N 0 3 311.338 1.291 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000917064384 713480574 /nfs/dbraw/zinc/48/05/74/713480574.db2.gz RCDNBZUTEYOIJW-LBPRGKRZSA-N 0 3 309.370 1.384 20 5 DDBDHN COc1ccc(NC(=O)N[C@@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000930770388 713915932 /nfs/dbraw/zinc/91/59/32/713915932.db2.gz WOJZUFSSDSCPJA-MWLCHTKSSA-N 0 3 308.338 1.818 20 5 DDBDHN COC1(OC)CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000931641301 714147548 /nfs/dbraw/zinc/14/75/48/714147548.db2.gz XQAVKUUQJPCFJT-CQSZACIVSA-N 0 3 310.350 1.193 20 5 DDBDHN CN1CCC[C@H](NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000932069679 714251752 /nfs/dbraw/zinc/25/17/52/714251752.db2.gz FLGPCAXAEUGFFU-QEJZJMRPSA-N 0 3 303.362 1.909 20 5 DDBDHN CN1CCN(C(=N)Nc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC001168735718 748430312 /nfs/dbraw/zinc/43/03/12/748430312.db2.gz FHNSDTSGRXVIDV-UHFFFAOYSA-N 0 3 314.349 1.737 20 5 DDBDHN CC(C)N(C)CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001095574948 750048843 /nfs/dbraw/zinc/04/88/43/750048843.db2.gz RXXCNOHGZXVHCA-UHFFFAOYSA-N 0 3 323.397 1.273 20 5 DDBDHN CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@@H](C)[C@@H]1CNCCO1 ZINC001170570879 768192348 /nfs/dbraw/zinc/19/23/48/768192348.db2.gz LSHKMUOLIYAVPI-GWCFXTLKSA-N 0 3 323.349 1.560 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ncccc1F ZINC001135723186 771673577 /nfs/dbraw/zinc/67/35/77/771673577.db2.gz IWHWNZYDFAIBNC-UHFFFAOYSA-N 0 3 318.308 1.649 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cc(Cl)no1 ZINC001148648287 773548674 /nfs/dbraw/zinc/54/86/74/773548674.db2.gz FUPJQZKPFWBOSP-UHFFFAOYSA-N 0 3 324.724 1.756 20 5 DDBDHN CCCN1CC[C@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001148757056 773594391 /nfs/dbraw/zinc/59/43/91/773594391.db2.gz DHJNYZBPHUSARY-ZETCQYMHSA-N 0 3 301.734 1.185 20 5 DDBDHN CCCN(C)CC(=O)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094517188 775973799 /nfs/dbraw/zinc/97/37/99/775973799.db2.gz FCGZYTSOBONBNQ-UHFFFAOYSA-N 0 3 308.382 1.855 20 5 DDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1c[n-][nH]c1=O ZINC001173214233 777068319 /nfs/dbraw/zinc/06/83/19/777068319.db2.gz NRJILVNRLSXEAK-DGCLKSJQSA-N 0 3 304.350 1.627 20 5 DDBDHN C[C@H](NC[C@H](O)C[C@@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC001176036341 778008905 /nfs/dbraw/zinc/00/89/05/778008905.db2.gz JZVXUODQWUAAJZ-GLQYFDAESA-N 0 3 310.350 1.148 20 5 DDBDHN CSc1nc(Cl)c([N+](=O)[O-])c(-n2cnc(CN)c2)n1 ZINC001154905550 861557225 /nfs/dbraw/zinc/55/72/25/861557225.db2.gz KQWTXDSRFVAEGI-UHFFFAOYSA-N 0 3 300.731 1.405 20 5 DDBDHN NCc1ccnn1-c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001155125034 861757533 /nfs/dbraw/zinc/75/75/33/861757533.db2.gz KBUPTAFAOVRTAW-UHFFFAOYSA-N 0 3 304.697 1.836 20 5 DDBDHN CCN(CCNCc1cc(C2CC2)no1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001273376812 849740455 /nfs/dbraw/zinc/74/04/55/849740455.db2.gz ZHPXULLVXZDMHY-TZMCWYRMSA-N 0 3 322.365 1.155 20 5 DDBDHN O=C(Cc1ccc[nH]1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001151775099 862961392 /nfs/dbraw/zinc/96/13/92/862961392.db2.gz MORWHIRFRMADNO-UHFFFAOYSA-N 0 3 302.334 1.371 20 5 DDBDHN COc1nc(N2CCCc3ccc(CN)nc32)ccc1[N+](=O)[O-] ZINC001158650136 864786829 /nfs/dbraw/zinc/78/68/29/864786829.db2.gz WDKBNXSPAPWKKI-UHFFFAOYSA-N 0 3 315.333 1.936 20 5 DDBDHN O=[N+]([O-])c1cnc([N-]C2(C(F)(F)F)CC2)nc1C1C[NH2+]C1 ZINC001160828961 866137514 /nfs/dbraw/zinc/13/75/14/866137514.db2.gz DIDBPAWIRBBMND-UHFFFAOYSA-N 0 3 303.244 1.578 20 5 DDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CN2CCC1CC2 ZINC001336078526 868718564 /nfs/dbraw/zinc/71/85/64/868718564.db2.gz DNQFYFCMRBPJKN-ZDUSSCGKSA-N 0 3 319.361 1.574 20 5 DDBDHN CCN1CC[C@H](Oc2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC001226213567 882284353 /nfs/dbraw/zinc/28/43/53/882284353.db2.gz DVSAKKVLQWEQQP-LBPRGKRZSA-N 0 3 308.334 1.783 20 5 DDBDHN CN1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001303986541 871172442 /nfs/dbraw/zinc/17/24/42/871172442.db2.gz XJEMBVQTSPZNIW-CYBMUJFWSA-N 0 3 307.350 1.430 20 5 DDBDHN COc1cc(C[NH2+]CCc2cc(C)n(C)n2)c([N+](=O)[O-])cc1[O-] ZINC001308514038 871505758 /nfs/dbraw/zinc/50/57/58/871505758.db2.gz UFQJUDXQSMFTSX-UHFFFAOYSA-N 0 3 320.349 1.683 20 5 DDBDHN CC(COC(=O)C1(n2cc(Br)cn2)CC1)[N+](=O)[O-] ZINC001348532269 874618839 /nfs/dbraw/zinc/61/88/39/874618839.db2.gz CPXDCSNPJUSIIX-ZETCQYMHSA-N 0 3 318.127 1.343 20 5 DDBDHN OC[C@@H]1CN(Cc2ccc3ccc4cccnc4c3n2)CC[C@@H]1O ZINC001232218317 886165694 /nfs/dbraw/zinc/16/56/94/886165694.db2.gz FUPHJKIPJQJFDN-RDJZCZTQSA-N 0 3 323.396 1.958 20 5 DDBDHN CS[C@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000451308208 231063671 /nfs/dbraw/zinc/06/36/71/231063671.db2.gz AFGFPSSGHFQTRT-OCCSQVGLSA-N 0 3 312.391 1.772 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCSCC2)c1 ZINC000089984439 185274453 /nfs/dbraw/zinc/27/44/53/185274453.db2.gz CELYYVHIBGTSQA-CYBMUJFWSA-N 0 3 312.391 1.773 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000299526828 530063715 /nfs/dbraw/zinc/06/37/15/530063715.db2.gz CNVIWFLRLGHIKQ-NSHDSACASA-N 0 3 302.334 1.900 20 5 DDBDHN CO[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181730113 199344515 /nfs/dbraw/zinc/34/45/15/199344515.db2.gz NNXLKUZEMWOHGU-STQMWFEESA-N 0 3 310.350 1.445 20 5 DDBDHN CN1CC[C@@](O)(CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000358330241 299122506 /nfs/dbraw/zinc/12/25/06/299122506.db2.gz OWSNRVJOWXNIJJ-OAHLLOKOSA-N 0 3 302.334 1.622 20 5 DDBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000458223305 232293446 /nfs/dbraw/zinc/29/34/46/232293446.db2.gz MWCWILDCQSHZLU-UHFFFAOYSA-N 0 3 323.378 1.583 20 5 DDBDHN CC[C@]1(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000616865526 362851688 /nfs/dbraw/zinc/85/16/88/362851688.db2.gz SZCLKYCNYXBWMH-INIZCTEOSA-N 0 3 319.361 1.643 20 5 DDBDHN COCCNCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000152409951 186069721 /nfs/dbraw/zinc/06/97/21/186069721.db2.gz AHKFJFNXEVBCTP-UHFFFAOYSA-N 0 3 301.730 1.214 20 5 DDBDHN COCC(C)(C)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000617311069 363049092 /nfs/dbraw/zinc/04/90/92/363049092.db2.gz JLDBRCGJXVOALV-UHFFFAOYSA-N 0 3 308.382 1.784 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCN(C(C)(C)C)CC2)n1 ZINC000617403695 363089449 /nfs/dbraw/zinc/08/94/49/363089449.db2.gz YPUYDYDJEYAJFT-UHFFFAOYSA-N 0 3 323.397 1.758 20 5 DDBDHN COC(=O)c1cc(C(=O)NC[C@@H](C)N(C)C)cc([N+](=O)[O-])c1 ZINC000033093008 352288130 /nfs/dbraw/zinc/28/81/30/352288130.db2.gz AGTGBXGWNHBAJG-SECBINFHSA-N 0 3 309.322 1.061 20 5 DDBDHN CN1CCN(CCCCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000041362692 352304663 /nfs/dbraw/zinc/30/46/63/352304663.db2.gz JHEUHANERJDJJQ-UHFFFAOYSA-N 0 3 320.393 1.352 20 5 DDBDHN Cc1c(NC(=O)CCN2CCC(CO)CC2)cccc1[N+](=O)[O-] ZINC000052819998 352626561 /nfs/dbraw/zinc/62/65/61/352626561.db2.gz BEMSUTWWMYMFIE-UHFFFAOYSA-N 0 3 321.377 1.936 20 5 DDBDHN Cc1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000061649602 352893287 /nfs/dbraw/zinc/89/32/87/352893287.db2.gz JYAQKKUFFJESKE-KBPBESRZSA-N 0 3 319.361 1.496 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2c2ccc[nH]2)c1 ZINC000072578247 353202571 /nfs/dbraw/zinc/20/25/71/353202571.db2.gz HAULTVOPEKZBFP-JSGCOSHPSA-N 0 3 305.338 1.317 20 5 DDBDHN O=C1C[C@]2(CN1)CCCN(CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000072833172 353221136 /nfs/dbraw/zinc/22/11/36/353221136.db2.gz SFOQKXYOGOBYLU-INIZCTEOSA-N 0 3 303.362 1.739 20 5 DDBDHN Cc1cnc(NC2CCN(CCN(C)C)CC2)c([N+](=O)[O-])c1 ZINC000078630116 353525781 /nfs/dbraw/zinc/52/57/81/353525781.db2.gz RARDRQHBQPOHID-UHFFFAOYSA-N 0 3 307.398 1.736 20 5 DDBDHN CN(C)CCN(C)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000080685210 353622852 /nfs/dbraw/zinc/62/28/52/353622852.db2.gz VNUAPTKLHRNKBR-UHFFFAOYSA-N 0 3 308.338 1.549 20 5 DDBDHN COC(=O)C(C)(C)[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000093279003 353891239 /nfs/dbraw/zinc/89/12/39/353891239.db2.gz XJZINQNZSHETMX-GFCCVEGCSA-N 0 3 324.381 1.703 20 5 DDBDHN CN1CCC[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000108345027 353951502 /nfs/dbraw/zinc/95/15/02/353951502.db2.gz FLPZUFDKBKLSJD-LBPRGKRZSA-N 0 3 306.366 1.465 20 5 DDBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H](C)C1 ZINC000346231301 283034971 /nfs/dbraw/zinc/03/49/71/283034971.db2.gz OBROETMBQSTOQC-OUCADQQQSA-N 0 3 320.393 1.736 20 5 DDBDHN CN1CC[C@@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)[C@@H]2C1 ZINC000585779646 354839838 /nfs/dbraw/zinc/83/98/38/354839838.db2.gz HPHVDOBKSKGTAJ-QMTHXVAHSA-N 0 3 306.366 1.200 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@]1(C)CCO[C@@H]1C ZINC000494252578 235012429 /nfs/dbraw/zinc/01/24/29/235012429.db2.gz ZBGIULMSGHNTNZ-ABAIWWIYSA-N 0 3 307.350 1.999 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[C@H]2C1 ZINC000590444717 355098222 /nfs/dbraw/zinc/09/82/22/355098222.db2.gz KEKZHHWPPQVFME-BMIGLBTASA-N 0 3 314.345 1.852 20 5 DDBDHN CN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000591029801 355235892 /nfs/dbraw/zinc/23/58/92/355235892.db2.gz JORUKIFOWLYBEK-VHDGCEQUSA-N 0 3 303.362 1.909 20 5 DDBDHN COC(=O)[C@H]1CNCCCN1Cc1cccc([N+](=O)[O-])c1C ZINC000592488856 355597511 /nfs/dbraw/zinc/59/75/11/355597511.db2.gz MLWIBOFFIFXVQU-CQSZACIVSA-N 0 3 307.350 1.240 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@]1(OCCO)CCOC1 ZINC000595077302 356379265 /nfs/dbraw/zinc/37/92/65/356379265.db2.gz FZXFUDGZLLGZDE-CZUORRHYSA-N 0 3 324.377 1.722 20 5 DDBDHN CO[C@]1(CO)CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595663748 356599330 /nfs/dbraw/zinc/59/93/30/356599330.db2.gz UGFLRVDOLCYFOS-OAHLLOKOSA-N 0 3 310.350 1.447 20 5 DDBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000595734852 356627091 /nfs/dbraw/zinc/62/70/91/356627091.db2.gz CCNCDPOVGGYQCJ-LBPRGKRZSA-N 0 3 323.349 1.271 20 5 DDBDHN COc1ccc(OCCN[C@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595786036 356652026 /nfs/dbraw/zinc/65/20/26/356652026.db2.gz YXASLTWUHCVFRH-GJZGRUSLSA-N 0 3 322.361 1.875 20 5 DDBDHN O=[N+]([O-])c1cc(CN2CC[C@H]3COC[C@H]3C2)c2c(c1)COCO2 ZINC000595830711 356667831 /nfs/dbraw/zinc/66/78/31/356667831.db2.gz LGUJHLHFENSEBX-SMDDNHRTSA-N 0 3 320.345 1.930 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@]2(C)CC[NH2+]C2)c1C ZINC000596051455 356753981 /nfs/dbraw/zinc/75/39/81/356753981.db2.gz OTNVONDVQZVFHO-ZDUSSCGKSA-N 0 3 313.379 1.242 20 5 DDBDHN CCN1CCN([C@H](C)CNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596078533 356764952 /nfs/dbraw/zinc/76/49/52/356764952.db2.gz SVWVPKIAJMJFFY-LLVKDONJSA-N 0 3 309.370 1.133 20 5 DDBDHN CCOc1cc(CN(C)C[C@@H](C)C(=O)NC)ccc1[N+](=O)[O-] ZINC000276914501 213172704 /nfs/dbraw/zinc/17/27/04/213172704.db2.gz NZJXXQAJMTUHCX-LLVKDONJSA-N 0 3 309.366 1.807 20 5 DDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596151945 356793063 /nfs/dbraw/zinc/79/30/63/356793063.db2.gz MYSZBNFUPDOZAV-ZWNOBZJWSA-N 0 3 306.366 1.470 20 5 DDBDHN C[C@H](NCc1nc(C[NH3+])cc(=O)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000596653920 356943007 /nfs/dbraw/zinc/94/30/07/356943007.db2.gz MIRMZTGNCPDWAN-VIFPVBQESA-N 0 3 303.322 1.400 20 5 DDBDHN CC(C)(C)N1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000597921918 357382409 /nfs/dbraw/zinc/38/24/09/357382409.db2.gz HVDYSPYKVXYHEZ-JTQLQIEISA-N 0 3 306.366 1.780 20 5 DDBDHN CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCN(C)C1 ZINC000597946878 357395187 /nfs/dbraw/zinc/39/51/87/357395187.db2.gz RVLJNSDNAPGQSL-GFCCVEGCSA-N 0 3 307.350 1.770 20 5 DDBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000598265353 357513974 /nfs/dbraw/zinc/51/39/74/357513974.db2.gz SKVCDCQPRXQYPI-GFCCVEGCSA-N 0 3 306.366 1.840 20 5 DDBDHN Cc1c(CC(=O)N2CC[C@@]3(CCN(C)C3)C2)cccc1[N+](=O)[O-] ZINC000292357886 223019477 /nfs/dbraw/zinc/01/94/77/223019477.db2.gz VYFLCCZGTOQTFB-QGZVFWFLSA-N 0 3 317.389 2.000 20 5 DDBDHN CC(C)C[C@@](C)(CN)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598914355 357757089 /nfs/dbraw/zinc/75/70/89/357757089.db2.gz BCMNQSLRBHJOOS-HNNXBMFYSA-N 0 3 322.365 1.413 20 5 DDBDHN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCOCC1 ZINC000179838921 199086645 /nfs/dbraw/zinc/08/66/45/199086645.db2.gz UODRHQJXUKPIRM-JTQLQIEISA-N 0 3 307.350 1.598 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC(N2CCCOCC2)CC1 ZINC000600007728 358102092 /nfs/dbraw/zinc/10/20/92/358102092.db2.gz ZAQQXRCXWQEUDX-UHFFFAOYSA-N 0 3 322.365 1.250 20 5 DDBDHN CO[C@@H]1COCC[C@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602677330 359120873 /nfs/dbraw/zinc/12/08/73/359120873.db2.gz XOYCOMXDIZTKPU-IINYFYTJSA-N 0 3 321.333 1.877 20 5 DDBDHN COC(=O)[C@@H]1CC12CCN(CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC000602784008 359189142 /nfs/dbraw/zinc/18/91/42/359189142.db2.gz GJZANCIZHLWSQH-LBPRGKRZSA-N 0 3 322.365 1.375 20 5 DDBDHN C[C@H]1CC[C@@H](NCCc2ccc([N+](=O)[O-])cc2)CS1(=O)=O ZINC000602712510 359142399 /nfs/dbraw/zinc/14/23/99/359142399.db2.gz YWZKBMQYHYJFBD-WCQYABFASA-N 0 3 312.391 1.693 20 5 DDBDHN O=[N+]([O-])c1cc2c(ncnc2NC[C@H]2CSCCN2)s1 ZINC000603418622 359628762 /nfs/dbraw/zinc/62/87/62/359628762.db2.gz HTQRIRCGOAUSAM-ZETCQYMHSA-N 0 3 311.392 1.716 20 5 DDBDHN CC(C)(C(=O)N1CC[C@@H](N2CCCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000608905344 360252835 /nfs/dbraw/zinc/25/28/35/360252835.db2.gz FHMQWJYGRXUTKZ-GFCCVEGCSA-N 0 3 321.381 1.223 20 5 DDBDHN O=C1N[C@H]2CCN(CCc3ccc([N+](=O)[O-])cc3)C[C@@H]2CO1 ZINC000281182136 216135600 /nfs/dbraw/zinc/13/56/00/216135600.db2.gz AZDCFTQNZIJYNA-OCCSQVGLSA-N 0 3 305.334 1.568 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](OCCN(C)C)C2)n1 ZINC000611617217 360777343 /nfs/dbraw/zinc/77/73/43/360777343.db2.gz RKDBPUTWICWVST-CYBMUJFWSA-N 0 3 308.382 1.764 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNCC[C@@H]1CCOC1)OCCO2 ZINC000612201715 360941969 /nfs/dbraw/zinc/94/19/69/360941969.db2.gz ORVCPXANLBUDJT-LLVKDONJSA-N 0 3 308.334 1.882 20 5 DDBDHN O=C(CNC[C@@H]1CCCO1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000152756801 283846502 /nfs/dbraw/zinc/84/65/02/283846502.db2.gz QWQFDECQYRGCAC-AWEZNQCLSA-N 0 3 307.350 1.022 20 5 DDBDHN COCCNCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000262096507 203196152 /nfs/dbraw/zinc/19/61/52/203196152.db2.gz HXXMEOHUUOIYMW-UHFFFAOYSA-N 0 3 301.730 1.214 20 5 DDBDHN CCC[C@](C)(N)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000262636045 203359612 /nfs/dbraw/zinc/35/96/12/203359612.db2.gz ZKTBCIIGIPYFTD-AWEZNQCLSA-N 0 3 309.322 1.837 20 5 DDBDHN COCCN(C)CCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271739694 209170767 /nfs/dbraw/zinc/17/07/67/209170767.db2.gz WBGYIAIZVOOHLF-LBPRGKRZSA-N 0 3 324.381 1.533 20 5 DDBDHN CN(C(=O)CN1CCCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000282926211 217329192 /nfs/dbraw/zinc/32/91/92/217329192.db2.gz FHZXZKQSOUFKDR-UHFFFAOYSA-N 0 3 306.366 1.195 20 5 DDBDHN CNC(=O)c1ccc(N[C@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000336859133 249267413 /nfs/dbraw/zinc/26/74/13/249267413.db2.gz FIZDEHBJZDGWGA-PWSUYJOCSA-N 0 3 306.366 1.849 20 5 DDBDHN CCN1CCN(CCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000042592177 183288845 /nfs/dbraw/zinc/28/88/45/183288845.db2.gz DQLVVZBGUKQUBR-UHFFFAOYSA-N 0 3 320.393 1.271 20 5 DDBDHN CC[C@@H](NC[C@@H]1CN(C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268961864 207127362 /nfs/dbraw/zinc/12/73/62/207127362.db2.gz XKTLGIHFIJXNHL-HZPDHXFCSA-N 0 3 306.410 1.881 20 5 DDBDHN COCCN(C)CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000061380218 184170235 /nfs/dbraw/zinc/17/02/35/184170235.db2.gz OSNQPJXPSLXKQL-UHFFFAOYSA-N 0 3 315.757 1.556 20 5 DDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(C2CC2)C1 ZINC000340968968 251309928 /nfs/dbraw/zinc/30/99/28/251309928.db2.gz DBCWWZJCCVILRK-GFCCVEGCSA-N 0 3 319.361 1.717 20 5 DDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1)CNCC2 ZINC000269189985 207311382 /nfs/dbraw/zinc/31/13/82/207311382.db2.gz GYZPFNFASOZGJQ-UHFFFAOYSA-N 0 3 315.333 1.466 20 5 DDBDHN CCC[C@@]1(CO)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000288754320 220395111 /nfs/dbraw/zinc/39/51/11/220395111.db2.gz IGOBWFDBXGGZND-OAHLLOKOSA-N 0 3 309.366 1.241 20 5 DDBDHN C[C@@H](CC[NH+](C)C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352879751 285356139 /nfs/dbraw/zinc/35/61/39/285356139.db2.gz GPVJHGILAJZNNH-JTQLQIEISA-N 0 3 301.368 1.213 20 5 DDBDHN C[C@@H](NCCN1C(=O)N[C@@H](C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000459399595 533393810 /nfs/dbraw/zinc/39/38/10/533393810.db2.gz VNELZJINRDDBPP-ZJUUUORDSA-N 0 3 306.322 1.186 20 5 DDBDHN COC(=O)[C@H]1CN(C)CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000414493341 533488550 /nfs/dbraw/zinc/48/85/50/533488550.db2.gz IFMNTMWLVBLGPQ-AWEZNQCLSA-N 0 3 321.377 1.440 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCOCC3CC3)C2)nc1 ZINC000072665240 406884469 /nfs/dbraw/zinc/88/44/69/406884469.db2.gz IJPCRYODZKALBM-CYBMUJFWSA-N 0 3 306.366 1.903 20 5 DDBDHN CCOC(=O)c1ccnc(NC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000077905303 407014176 /nfs/dbraw/zinc/01/41/76/407014176.db2.gz FFIRRDHXOIZEKV-UHFFFAOYSA-N 0 3 308.338 1.673 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCCC[NH2+]1 ZINC000044492703 407024234 /nfs/dbraw/zinc/02/42/34/407024234.db2.gz BTAOATIAJIKIOO-LLVKDONJSA-N 0 3 313.379 1.324 20 5 DDBDHN CCOc1ccc([C@@H](C)NC[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000090848823 407171963 /nfs/dbraw/zinc/17/19/63/407171963.db2.gz RCOFEKXDVKGTHT-IAQYHMDHSA-N 0 3 310.350 1.796 20 5 DDBDHN C[C@@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)CS(C)(=O)=O ZINC000180438367 306694881 /nfs/dbraw/zinc/69/48/81/306694881.db2.gz CLCDQUCPVLTIQT-QWRGUYRKSA-N 0 3 300.380 1.926 20 5 DDBDHN COC(=O)[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000066832328 407260438 /nfs/dbraw/zinc/26/04/38/407260438.db2.gz PNXKDQNHYBRLJM-GFCCVEGCSA-N 0 3 308.334 1.859 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN(C)C2)c1 ZINC000108333538 407384029 /nfs/dbraw/zinc/38/40/29/407384029.db2.gz WFIGTMZEWKDZJA-LLVKDONJSA-N 0 3 307.350 1.675 20 5 DDBDHN CNC(=O)[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000111262952 407403372 /nfs/dbraw/zinc/40/33/72/407403372.db2.gz QWIJDSXXOHTKFC-LBPRGKRZSA-N 0 3 307.350 1.432 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2C[C@@H](O)c2ccco2)n1 ZINC000151792977 407498769 /nfs/dbraw/zinc/49/87/69/407498769.db2.gz OGPODFUSTUFHKG-CHWSQXEVSA-N 0 3 320.349 1.972 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000170768228 407499712 /nfs/dbraw/zinc/49/97/12/407499712.db2.gz OWUCDDOSKZKTFU-OCCSQVGLSA-N 0 3 310.350 1.445 20 5 DDBDHN CN(C)CCN(Cc1cccs1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000152831268 407698211 /nfs/dbraw/zinc/69/82/11/407698211.db2.gz KXXZWAVLQUYFPZ-UHFFFAOYSA-N 0 3 323.378 1.583 20 5 DDBDHN CN(CCc1ccccn1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000152972106 407726148 /nfs/dbraw/zinc/72/61/48/407726148.db2.gz DEJKAMYDUDRJQM-UHFFFAOYSA-N 0 3 302.334 1.326 20 5 DDBDHN CC[NH2+][C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262432897 407834983 /nfs/dbraw/zinc/83/49/83/407834983.db2.gz FRKSMOBVVXLCER-MRVPVSSYSA-N 0 3 321.786 1.525 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000268213358 407952403 /nfs/dbraw/zinc/95/24/03/407952403.db2.gz AZOSRUCRJISFRS-OCCSQVGLSA-N 0 3 320.349 1.972 20 5 DDBDHN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CCN1C[C@H](C)O ZINC000268479687 408064459 /nfs/dbraw/zinc/06/44/59/408064459.db2.gz LCRLUWVUTSKYIN-WCQYABFASA-N 0 3 308.382 1.580 20 5 DDBDHN CN(CCOCC1CC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273322226 408151275 /nfs/dbraw/zinc/15/12/75/408151275.db2.gz KJFULLBUGGMGMC-AWEZNQCLSA-N 0 3 324.377 1.693 20 5 DDBDHN COc1cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c([N+](=O)[O-])cc1[O-] ZINC000190347536 408226706 /nfs/dbraw/zinc/22/67/06/408226706.db2.gz JFQXKNXAVCUNMB-JTNHKYCSSA-N 0 3 308.334 1.966 20 5 DDBDHN CCCC(=O)NC[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176225518 408316037 /nfs/dbraw/zinc/31/60/37/408316037.db2.gz LFIMEOLMMKXXMZ-ZDUSSCGKSA-N 0 3 323.397 1.420 20 5 DDBDHN Cc1nn(C)c(C(=O)N2CCCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000263919450 408314455 /nfs/dbraw/zinc/31/44/55/408314455.db2.gz RYWLEWLSVRIXBG-UHFFFAOYSA-N 0 3 309.370 1.193 20 5 DDBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000264063691 408359043 /nfs/dbraw/zinc/35/90/43/408359043.db2.gz ABFQRJLITPWJCP-LLVKDONJSA-N 0 3 315.395 1.603 20 5 DDBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173540912 162347938 /nfs/dbraw/zinc/34/79/38/162347938.db2.gz FNGKZLMAUCRFSL-CYBMUJFWSA-N 0 3 321.377 1.744 20 5 DDBDHN C[C@H](O)CN1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000247377970 408459294 /nfs/dbraw/zinc/45/92/94/408459294.db2.gz VOFRVNBOCMZUAN-KBPBESRZSA-N 0 3 307.394 1.524 20 5 DDBDHN CN(CCN(C)C1CC1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000274496609 408427393 /nfs/dbraw/zinc/42/73/93/408427393.db2.gz GXCYHBIROHYNDL-UHFFFAOYSA-N 0 3 320.393 1.873 20 5 DDBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269889582 408461082 /nfs/dbraw/zinc/46/10/82/408461082.db2.gz KCAVNEPSXGYBCC-OAHLLOKOSA-N 0 3 321.333 1.383 20 5 DDBDHN CN(C)c1ncc(CNCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000264367530 408461529 /nfs/dbraw/zinc/46/15/29/408461529.db2.gz KVTFTSOTELLWMP-UHFFFAOYSA-N 0 3 301.350 1.783 20 5 DDBDHN CN(CCN(C)C1CC1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000274608515 408467729 /nfs/dbraw/zinc/46/77/29/408467729.db2.gz WATRULPULRMRHN-UHFFFAOYSA-N 0 3 320.393 1.584 20 5 DDBDHN CC1(C)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000275543105 408595603 /nfs/dbraw/zinc/59/56/03/408595603.db2.gz ZFKCGJCLFBREOE-SWLSCSKDSA-N 0 3 324.377 1.427 20 5 DDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000265270503 408599531 /nfs/dbraw/zinc/59/95/31/408599531.db2.gz GLKIWLCSIADWGC-ZDUSSCGKSA-N 0 3 305.378 1.938 20 5 DDBDHN CCN1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000264600812 408541061 /nfs/dbraw/zinc/54/10/61/408541061.db2.gz DNLFFSRQLICARS-UHFFFAOYSA-N 0 3 320.393 1.951 20 5 DDBDHN COC(=O)[C@@]1(C)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000177420513 408611070 /nfs/dbraw/zinc/61/10/70/408611070.db2.gz XGIRREKCSLNIMM-HNNXBMFYSA-N 0 3 308.334 1.859 20 5 DDBDHN CC(C)[C@@H](CCO)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000161908090 408649329 /nfs/dbraw/zinc/64/93/29/408649329.db2.gz KNQNBOMDQQTMKZ-CQSZACIVSA-N 0 3 321.377 1.481 20 5 DDBDHN CN(C)CCOc1cc(CNc2ccc([N+](=O)[O-])cn2)ccn1 ZINC000270747087 408662498 /nfs/dbraw/zinc/66/24/98/408662498.db2.gz WXQHCKZCPXHVNH-UHFFFAOYSA-N 0 3 317.349 1.937 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCCN2CCO[C@@]3(CCOC3)C2)cc1 ZINC000185156974 408771983 /nfs/dbraw/zinc/77/19/83/408771983.db2.gz HETOECIYCUCGND-INIZCTEOSA-N 0 3 322.361 1.855 20 5 DDBDHN CNC(=O)c1ccc(N2CC[C@]3(CCN(C)C3)C2)c([N+](=O)[O-])c1 ZINC000291614648 408895291 /nfs/dbraw/zinc/89/52/91/408895291.db2.gz AJALGSFWMRNDGH-INIZCTEOSA-N 0 3 318.377 1.486 20 5 DDBDHN Cc1nc(NCCN2CCN(C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000281648969 408903130 /nfs/dbraw/zinc/90/31/30/408903130.db2.gz NEZCXOMGCSMXOD-UHFFFAOYSA-N 0 3 307.398 1.736 20 5 DDBDHN CC(C)N(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000291730421 408913886 /nfs/dbraw/zinc/91/38/86/408913886.db2.gz JNQUXPVYRWGIOO-LSDHHAIUSA-N 0 3 324.377 1.834 20 5 DDBDHN O=C(NCCCNCc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000238048439 163397095 /nfs/dbraw/zinc/39/70/95/163397095.db2.gz MKTGSGNCGIPCFS-UHFFFAOYSA-N 0 3 314.345 1.900 20 5 DDBDHN CN1CCC(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277535906 408960892 /nfs/dbraw/zinc/96/08/92/408960892.db2.gz AUXJWNJRSKZLPX-UHFFFAOYSA-N 0 3 317.349 1.429 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)N(C)C2CC2)n1 ZINC000286332333 408965954 /nfs/dbraw/zinc/96/59/54/408965954.db2.gz BKJHXSYMOLICTC-VIFPVBQESA-N 0 3 308.338 1.671 20 5 DDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1CCN(C)CC1 ZINC000282417274 409051238 /nfs/dbraw/zinc/05/12/38/409051238.db2.gz GLUGXTZOMNJQQL-UHFFFAOYSA-N 0 3 305.378 1.938 20 5 DDBDHN COC[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000279046005 409138204 /nfs/dbraw/zinc/13/82/04/409138204.db2.gz JXKYMGWNARTYRY-SOUVJXGZSA-N 0 3 310.350 1.412 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000288129980 409151003 /nfs/dbraw/zinc/15/10/03/409151003.db2.gz XHMCJZRWCJFDJL-LBPRGKRZSA-N 0 3 308.382 1.729 20 5 DDBDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC000284108249 409276382 /nfs/dbraw/zinc/27/63/82/409276382.db2.gz NFLCIBYGDZCHFD-CABZTGNLSA-N 0 3 316.365 1.743 20 5 DDBDHN C[C@H](NCC1(C(N)=O)CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284053093 409266176 /nfs/dbraw/zinc/26/61/76/409266176.db2.gz KKQFQFAWKYNAHA-JTQLQIEISA-N 0 3 306.366 1.873 20 5 DDBDHN C[C@@H]1[C@H](O)CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000296447463 409560089 /nfs/dbraw/zinc/56/00/89/409560089.db2.gz WWRDHFHUEVHINU-OSAQELSMSA-N 0 3 310.350 1.180 20 5 DDBDHN CC[C@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000354374215 409806621 /nfs/dbraw/zinc/80/66/21/409806621.db2.gz YUWDZAUKWJWKTG-LBPRGKRZSA-N 0 3 308.382 1.928 20 5 DDBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H](C)C1 ZINC000346244106 409870946 /nfs/dbraw/zinc/87/09/46/409870946.db2.gz UNJPEFOYRLLDEA-QJPTWQEYSA-N 0 3 321.381 1.131 20 5 DDBDHN O=C(COc1ccccc1[N+](=O)[O-])NCCN1CCCCCC1 ZINC000298360148 410195175 /nfs/dbraw/zinc/19/51/75/410195175.db2.gz QFEAHXYZGXSSCI-UHFFFAOYSA-N 0 3 321.377 1.966 20 5 DDBDHN C[C@@H]1CCCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000343161008 410198211 /nfs/dbraw/zinc/19/82/11/410198211.db2.gz ARDURVMAHMORDV-CYBMUJFWSA-N 0 3 305.378 1.985 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C)[C@H](O)C1 ZINC000351945776 410357286 /nfs/dbraw/zinc/35/72/86/410357286.db2.gz ULEJACICEDUGJC-GXFFZTMASA-N 0 3 323.349 1.245 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343451723 410465162 /nfs/dbraw/zinc/46/51/62/410465162.db2.gz OLEBVOQRUXOEFW-STQMWFEESA-N 0 3 321.377 1.963 20 5 DDBDHN CNC(=O)c1ccc(N[C@@H]2CCCN(C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000343596269 410560471 /nfs/dbraw/zinc/56/04/71/410560471.db2.gz GVJTXWZAQRMWTG-ZYHUDNBSSA-N 0 3 306.366 1.849 20 5 DDBDHN CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CN2CCC1CC2 ZINC000347910703 410789226 /nfs/dbraw/zinc/78/92/26/410789226.db2.gz DCWXSGTZAXMBAM-OAHLLOKOSA-N 0 3 303.362 1.690 20 5 DDBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356451578 411039057 /nfs/dbraw/zinc/03/90/57/411039057.db2.gz WTHBDLYEHCOUTL-TUAOUCFPSA-N 0 3 323.397 1.425 20 5 DDBDHN COc1cnccc1N1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000360257601 411115610 /nfs/dbraw/zinc/11/56/10/411115610.db2.gz LLLZDDNWCXJLPN-UHFFFAOYSA-N 0 3 318.337 1.059 20 5 DDBDHN COCCN(C)CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000580186131 422898392 /nfs/dbraw/zinc/89/83/92/422898392.db2.gz JOCSLDDNIASWFP-UHFFFAOYSA-N 0 3 308.382 1.859 20 5 DDBDHN C[C@H](NC(=O)N1CCOC2(CNC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000417128018 225218399 /nfs/dbraw/zinc/21/83/99/225218399.db2.gz HIDZTWNUZDOXBD-NSHDSACASA-N 0 3 320.349 1.040 20 5 DDBDHN Cc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375130608 418608776 /nfs/dbraw/zinc/60/87/76/418608776.db2.gz JASDOPRWXWDSAK-QWRGUYRKSA-N 0 3 320.349 1.313 20 5 DDBDHN Cc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375130608 418608778 /nfs/dbraw/zinc/60/87/78/418608778.db2.gz JASDOPRWXWDSAK-QWRGUYRKSA-N 0 3 320.349 1.313 20 5 DDBDHN CC(C)[C@]1(CO)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000368066178 418683654 /nfs/dbraw/zinc/68/36/54/418683654.db2.gz WHBGBACSAMRRDC-OAHLLOKOSA-N 0 3 309.366 1.097 20 5 DDBDHN COC(=O)C[C@]1(NC/C=C\c2ccccc2[N+](=O)[O-])CCOC1 ZINC000361740265 418703860 /nfs/dbraw/zinc/70/38/60/418703860.db2.gz HDMAIKLHBFDECB-DQOPKJQZSA-N 0 3 320.345 1.920 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCOC[C@H]1C ZINC000433154686 229163024 /nfs/dbraw/zinc/16/30/24/229163024.db2.gz UJHCTEAZHQYVQN-NEPJUHHUSA-N 0 3 307.350 1.856 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CN)CC(C)C ZINC000415420089 420056705 /nfs/dbraw/zinc/05/67/05/420056705.db2.gz AMUDRKXAJOEVDY-NSHDSACASA-N 0 3 322.365 1.331 20 5 DDBDHN COc1cc(C(=O)N2C[C@@H](C)NC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000423503974 420064467 /nfs/dbraw/zinc/06/44/67/420064467.db2.gz NFRKKDUUSLZMFN-ZJUUUORDSA-N 0 3 307.350 1.734 20 5 DDBDHN O=C(C[C@@H]1CNCCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423724264 420142378 /nfs/dbraw/zinc/14/23/78/420142378.db2.gz MQRKSRVTDLWOHP-CQSZACIVSA-N 0 3 319.361 1.464 20 5 DDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCNC[C@@](C)(F)C1 ZINC000420330687 420215015 /nfs/dbraw/zinc/21/50/15/420215015.db2.gz LNYSJIQWYPUKCL-IAQYHMDHSA-N 0 3 324.356 1.555 20 5 DDBDHN CCc1ccccc1[C@H](N)CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000423939040 420276574 /nfs/dbraw/zinc/27/65/74/420276574.db2.gz LIWPDFZNYCPDDO-LLVKDONJSA-N 0 3 303.322 1.310 20 5 DDBDHN N[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1c1cccc(F)c1 ZINC000424010000 420304836 /nfs/dbraw/zinc/30/48/36/420304836.db2.gz KLHVSUQOQORWQD-QWHCGFSZSA-N 0 3 318.308 1.629 20 5 DDBDHN CN(C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000438508773 420457669 /nfs/dbraw/zinc/45/76/69/420457669.db2.gz DKYUGCQJTHGZBS-UHFFFAOYSA-N 0 3 309.341 1.877 20 5 DDBDHN CCOC(=O)c1ccnc(N2C[C@@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000450779375 420529245 /nfs/dbraw/zinc/52/92/45/420529245.db2.gz NIOATPXYNUQDDN-CMPLNLGQSA-N 0 3 320.349 1.307 20 5 DDBDHN CN(C)CC(C)(C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000453599959 420734729 /nfs/dbraw/zinc/73/47/29/420734729.db2.gz QQYMWIBSDURSMM-UHFFFAOYSA-N 0 3 309.366 1.891 20 5 DDBDHN C[C@@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])[C@H](C)CN1 ZINC000493269287 420804967 /nfs/dbraw/zinc/80/49/67/420804967.db2.gz QBRLMXRXHKWRGY-DPIUTZRQSA-N 0 3 307.325 1.956 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCS1(=O)=O ZINC000449189796 420965809 /nfs/dbraw/zinc/96/58/09/420965809.db2.gz MUKINCWSOLZKLK-YPMHNXCESA-N 0 3 312.391 1.693 20 5 DDBDHN C[C@H]1C[C@@H]1C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000488414978 421088551 /nfs/dbraw/zinc/08/85/51/421088551.db2.gz GCWMTSBBMIQQMS-WDEREUQCSA-N 0 3 313.379 1.119 20 5 DDBDHN CO[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000488097402 421069617 /nfs/dbraw/zinc/06/96/17/421069617.db2.gz UHGOGQASTJXRFN-KBPBESRZSA-N 0 3 323.349 1.269 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-]C[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000490049845 421187282 /nfs/dbraw/zinc/18/72/82/421187282.db2.gz XAFAAJKEBLYOTO-NSHDSACASA-N 0 3 315.395 1.379 20 5 DDBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(=O)[nH]n1 ZINC000560521312 421277607 /nfs/dbraw/zinc/27/76/07/421277607.db2.gz CNXCXTMTLYNNGU-JTQLQIEISA-N 0 3 304.306 1.820 20 5 DDBDHN CC(C)(C)OCCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000515832520 421518526 /nfs/dbraw/zinc/51/85/26/421518526.db2.gz YZEAISUORQZZIH-ZDUSSCGKSA-N 0 3 312.366 1.739 20 5 DDBDHN C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000554856890 421664337 /nfs/dbraw/zinc/66/43/37/421664337.db2.gz DFJDJLAHFOSSTR-NSHDSACASA-N 0 3 317.349 1.568 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(C)C[C@@H]1CN ZINC000574176085 422070397 /nfs/dbraw/zinc/07/03/97/422070397.db2.gz OXCUFRSITIVMGZ-LBPRGKRZSA-N 0 3 321.381 1.318 20 5 DDBDHN Cn1nncc1CNCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000577774888 422426471 /nfs/dbraw/zinc/42/64/71/422426471.db2.gz CINYSUKRCWBONZ-UHFFFAOYSA-N 0 3 300.322 1.537 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000341682534 271167438 /nfs/dbraw/zinc/16/74/38/271167438.db2.gz CRDNIDLTWVSBOY-ZIAGYGMSSA-N 0 3 321.377 1.505 20 5 DDBDHN Cc1cnn(CCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000341908865 271243708 /nfs/dbraw/zinc/24/37/08/271243708.db2.gz GHHWRWOIDPRLCB-ZDUSSCGKSA-N 0 3 316.365 1.681 20 5 DDBDHN COc1cccc2c1CCN(CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000193707599 274151321 /nfs/dbraw/zinc/15/13/21/274151321.db2.gz MVOPIBYAADTHTQ-UHFFFAOYSA-N 0 3 316.361 1.901 20 5 DDBDHN C[C@@H]1COCC[C@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000432235690 274380094 /nfs/dbraw/zinc/38/00/94/274380094.db2.gz LIQYHSSRJQIUKT-KCPJHIHWSA-N 0 3 319.361 1.715 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCCN(C)CC2)c1 ZINC000298473597 281015307 /nfs/dbraw/zinc/01/53/07/281015307.db2.gz UCOUIHQWFVCCDQ-UHFFFAOYSA-N 0 3 321.377 1.836 20 5 DDBDHN CNc1ccc(C(=O)N(CCN(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000572910860 304564405 /nfs/dbraw/zinc/56/44/05/304564405.db2.gz PGOKDXABZBDREV-UHFFFAOYSA-N 0 3 306.366 1.803 20 5 DDBDHN CCO[C@@H]1COCC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000362022922 299986829 /nfs/dbraw/zinc/98/68/29/299986829.db2.gz HPIDIZZXBXKCLT-HUUCEWRRSA-N 0 3 310.350 1.757 20 5 DDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000363198071 300229567 /nfs/dbraw/zinc/22/95/67/300229567.db2.gz YZGJWVLRKDKTSD-NEPJUHHUSA-N 0 3 305.334 1.188 20 5 DDBDHN CCN(CC)CC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368412619 301022195 /nfs/dbraw/zinc/02/21/95/301022195.db2.gz MWNZWMOYBQSUSZ-GFCCVEGCSA-N 0 3 309.370 1.297 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@]3(CCCCO3)C2)c1 ZINC000370095053 301274843 /nfs/dbraw/zinc/27/48/43/301274843.db2.gz RDARFGGVVWUZON-CABCVRRESA-N 0 3 324.381 1.187 20 5 DDBDHN O=C1OCC[C@@H]1CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376047358 302030955 /nfs/dbraw/zinc/03/09/55/302030955.db2.gz UIXKOHDDXPADRO-NSHDSACASA-N 0 3 308.338 1.381 20 5 DDBDHN CN1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000378310168 302310521 /nfs/dbraw/zinc/31/05/21/302310521.db2.gz UHKFMKLURDJEOO-NEPJUHHUSA-N 0 3 315.333 1.146 20 5 DDBDHN COc1c(C(=O)NC[C@H](C)N2CCCC2)cccc1[N+](=O)[O-] ZINC000530473852 303198526 /nfs/dbraw/zinc/19/85/26/303198526.db2.gz GRDXFHRYLYPTJO-NSHDSACASA-N 0 3 307.350 1.818 20 5 DDBDHN COC[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000542524881 303441442 /nfs/dbraw/zinc/44/14/42/303441442.db2.gz DQOWAOZUNVUYJM-HUUCEWRRSA-N 0 3 321.377 1.961 20 5 DDBDHN COCCN(CCN(C)C)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000558690600 303779497 /nfs/dbraw/zinc/77/94/97/303779497.db2.gz LTFJGCSHPNZXMZ-CYBMUJFWSA-N 0 3 323.393 1.735 20 5 DDBDHN Cc1nc(C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)n[nH]1 ZINC000364013659 307039999 /nfs/dbraw/zinc/03/99/99/307039999.db2.gz GXRMFDCSRDQPER-UHFFFAOYSA-N 0 3 305.342 1.097 20 5 DDBDHN Cc1n[nH]c(C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000364013659 307040000 /nfs/dbraw/zinc/04/00/00/307040000.db2.gz GXRMFDCSRDQPER-UHFFFAOYSA-N 0 3 305.342 1.097 20 5 DDBDHN COCCCN1CCCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000367420220 307092841 /nfs/dbraw/zinc/09/28/41/307092841.db2.gz PHADLZGAGYZYRF-UHFFFAOYSA-N 0 3 308.382 1.726 20 5 DDBDHN Cc1cc(N2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000368532645 307104492 /nfs/dbraw/zinc/10/44/92/307104492.db2.gz JTZYGJSRWYPFPJ-HZPDHXFCSA-N 0 3 305.378 1.939 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC([C@@H]2CCOC2)C1 ZINC000373633738 307193111 /nfs/dbraw/zinc/19/31/11/307193111.db2.gz BWLFPKJQOWIUND-TZMCWYRMSA-N 0 3 322.361 1.303 20 5 DDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCN2CCC1CC2 ZINC000375218450 307218731 /nfs/dbraw/zinc/21/87/31/307218731.db2.gz LVMGWWRCDTVTFQ-UHFFFAOYSA-N 0 3 318.377 1.627 20 5 DDBDHN C[C@@]1(F)CNCCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000576850594 308344532 /nfs/dbraw/zinc/34/45/32/308344532.db2.gz MNWNVPLUBCVNDN-GFCCVEGCSA-N 0 3 311.342 1.737 20 5 DDBDHN CN1CCC[C@H](N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000584505432 337350682 /nfs/dbraw/zinc/35/06/82/337350682.db2.gz JKYYAFCOKREHNR-LBPRGKRZSA-N 0 3 307.354 1.049 20 5 DDBDHN CS[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000451308206 533979015 /nfs/dbraw/zinc/97/90/15/533979015.db2.gz AFGFPSSGHFQTRT-GXTWGEPZSA-N 0 3 312.391 1.772 20 5 DDBDHN C[C@H]1COCC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000432357655 534048258 /nfs/dbraw/zinc/04/82/58/534048258.db2.gz MHQSGRAFIUVTPA-IINYFYTJSA-N 0 3 308.334 1.976 20 5 DDBDHN CC(C)[C@H](NCc1c([N+](=O)[O-])ncn1C)C1(CO)CCCC1 ZINC000459547278 529123277 /nfs/dbraw/zinc/12/32/77/529123277.db2.gz VXIGOZNNMLEEEZ-ZDUSSCGKSA-N 0 3 310.398 1.995 20 5 DDBDHN C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736759209 598828383 /nfs/dbraw/zinc/82/83/83/598828383.db2.gz PYOXCGCAMCJLSX-SNVBAGLBSA-N 0 3 317.353 1.163 20 5 DDBDHN C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736759209 598828386 /nfs/dbraw/zinc/82/83/86/598828386.db2.gz PYOXCGCAMCJLSX-SNVBAGLBSA-N 0 3 317.353 1.163 20 5 DDBDHN CC[N@H+]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000821241149 606731221 /nfs/dbraw/zinc/73/12/21/606731221.db2.gz KGNQDKJJBORQJO-CABZTGNLSA-N 0 3 317.353 1.527 20 5 DDBDHN CC[N@@H+]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000821241149 606731223 /nfs/dbraw/zinc/73/12/23/606731223.db2.gz KGNQDKJJBORQJO-CABZTGNLSA-N 0 3 317.353 1.527 20 5 DDBDHN COC(=O)C[C@H]1CCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590911 698123754 /nfs/dbraw/zinc/12/37/54/698123754.db2.gz MFRSJDQBNAWYMN-KGLIPLIRSA-N 0 3 308.334 1.656 20 5 DDBDHN C[C@]12CN(Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@]1(C)C(=O)NC2=O ZINC000879158114 706602003 /nfs/dbraw/zinc/60/20/03/706602003.db2.gz NQTQHNGEDUAWLS-GASCZTMLSA-N 0 3 321.308 1.219 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC3(CC2)OCCCO3)cc1 ZINC000815155456 701817307 /nfs/dbraw/zinc/81/73/07/701817307.db2.gz PSGNMDMGLAJNMH-OAHLLOKOSA-N 0 3 322.361 1.857 20 5 DDBDHN CC(COC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C)[N+](=O)[O-] ZINC000813103390 702292028 /nfs/dbraw/zinc/29/20/28/702292028.db2.gz PRIMGXOXTJTJLF-DTWKUNHWSA-N 0 3 307.306 1.285 20 5 DDBDHN CC(COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C)[N+](=O)[O-] ZINC000813109843 702296141 /nfs/dbraw/zinc/29/61/41/702296141.db2.gz POZPATPCBNFQOY-UWVGGRQHSA-N 0 3 316.354 1.840 20 5 DDBDHN Cc1ccc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813114478 702299356 /nfs/dbraw/zinc/29/93/56/702299356.db2.gz CGJSNNZGIRFCNH-NEPJUHHUSA-N 0 3 306.318 1.556 20 5 DDBDHN CC(COC(=O)c1ccc2c(c1)NC(=O)CCN2C)[N+](=O)[O-] ZINC000813115452 702299442 /nfs/dbraw/zinc/29/94/42/702299442.db2.gz SQIKZGHAQGQQQJ-SECBINFHSA-N 0 3 307.306 1.287 20 5 DDBDHN CC(COC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)[N+](=O)[O-] ZINC000813114349 702299476 /nfs/dbraw/zinc/29/94/76/702299476.db2.gz QIRDEXGNDOJLPH-LLVKDONJSA-N 0 3 319.317 1.373 20 5 DDBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@H](CO)c1cnn(C)c1 ZINC000866310964 706670803 /nfs/dbraw/zinc/67/08/03/706670803.db2.gz HPIAFCDOPFTEGC-QMTHXVAHSA-N 0 3 322.340 1.722 20 5 DDBDHN CC(COC(=O)c1cccc(S(=O)(=O)C(F)F)c1)[N+](=O)[O-] ZINC000817739999 702466665 /nfs/dbraw/zinc/46/66/65/702466665.db2.gz TYZRZYJWWSVSLW-ZETCQYMHSA-N 0 3 323.273 1.505 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879534847 706711500 /nfs/dbraw/zinc/71/15/00/706711500.db2.gz YXNWXTUQXWJGDI-LEWSCRJBSA-N 0 3 317.345 1.511 20 5 DDBDHN CC([C@@H](OC(=O)c1cn(C)nn1)c1ccccc1F)[N+](=O)[O-] ZINC000845877727 703211643 /nfs/dbraw/zinc/21/16/43/703211643.db2.gz GLQQMQHCXUPDLJ-QPUJVOFHSA-N 0 3 308.269 1.518 20 5 DDBDHN C[C@H](NC[C@H]1CN(C2CC2)C(=O)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848569839 703563845 /nfs/dbraw/zinc/56/38/45/703563845.db2.gz HUZIMJTXFDCCDN-CABZTGNLSA-N 0 3 320.349 1.811 20 5 DDBDHN CC(C)N1CCCC[C@H]1COC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000848790413 703589724 /nfs/dbraw/zinc/58/97/24/703589724.db2.gz MOKNJOJQUUNCBP-NSHDSACASA-N 0 3 322.365 1.992 20 5 DDBDHN CC(COC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000853128053 704201840 /nfs/dbraw/zinc/20/18/40/704201840.db2.gz XJMCGHVJBSBGEF-GUBZILKMSA-N 0 3 302.327 1.498 20 5 DDBDHN CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000855489991 704487516 /nfs/dbraw/zinc/48/75/16/704487516.db2.gz FGRNCESYXZIEMV-LBPRGKRZSA-N 0 3 306.366 1.733 20 5 DDBDHN CC[NH2+]CC[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764104 704621589 /nfs/dbraw/zinc/62/15/89/704621589.db2.gz IBRUZIIJGXPONX-UHFFFAOYSA-N 0 3 303.265 1.292 20 5 DDBDHN CC(C)N(CCN(C)C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823973827 705348319 /nfs/dbraw/zinc/34/83/19/705348319.db2.gz MVSHWIROHSTFIT-UHFFFAOYSA-N 0 3 309.370 1.981 20 5 DDBDHN CO[C@@H]1CN(C)[C@](C)(COC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000861342993 705435209 /nfs/dbraw/zinc/43/52/09/705435209.db2.gz FZEDVKNEXREHRF-FZMZJTMJSA-N 0 3 311.338 1.199 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](CCO)c1cccs1 ZINC000878409310 706380047 /nfs/dbraw/zinc/38/00/47/706380047.db2.gz JDAYIIOQCMSLCL-LLVKDONJSA-N 0 3 310.379 1.875 20 5 DDBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCOCCO ZINC000872018805 707281564 /nfs/dbraw/zinc/28/15/64/707281564.db2.gz PTHUXYHCQKFGAG-SNVBAGLBSA-N 0 3 300.380 1.976 20 5 DDBDHN CC(COC(=O)Cn1nc(C(F)F)cc1C1CC1)[N+](=O)[O-] ZINC000873533463 707888326 /nfs/dbraw/zinc/88/83/26/707888326.db2.gz ZTNWVPCLVYQHQN-SSDOTTSWSA-N 0 3 303.265 1.907 20 5 DDBDHN CC(COC(=O)Cn1nc(C(F)F)cc1C1CC1)[N+](=O)[O-] ZINC000873533464 707888520 /nfs/dbraw/zinc/88/85/20/707888520.db2.gz ZTNWVPCLVYQHQN-ZETCQYMHSA-N 0 3 303.265 1.907 20 5 DDBDHN CN(CCO)CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000884825334 708388474 /nfs/dbraw/zinc/38/84/74/708388474.db2.gz QKXDKYAEXWBEOZ-UHFFFAOYSA-N 0 3 308.260 1.345 20 5 DDBDHN Cc1ccc(NC(=O)c2ccnn2CCN(C)C)cc1[N+](=O)[O-] ZINC000899910612 709234976 /nfs/dbraw/zinc/23/49/76/709234976.db2.gz JYYONZBZZLWFTR-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2CCCN(CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000910284316 709865014 /nfs/dbraw/zinc/86/50/14/709865014.db2.gz NIMKYRAVKUSFPO-LLVKDONJSA-N 0 3 323.397 1.827 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2CCCN(CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000910284316 709865017 /nfs/dbraw/zinc/86/50/17/709865017.db2.gz NIMKYRAVKUSFPO-LLVKDONJSA-N 0 3 323.397 1.827 20 5 DDBDHN C[C@]1(NC(=O)COc2ccc([N+](=O)[O-])cc2)CN2CCC1CC2 ZINC000892799345 710501873 /nfs/dbraw/zinc/50/18/73/710501873.db2.gz NJSHGDRYVGEPJS-INIZCTEOSA-N 0 3 319.361 1.574 20 5 DDBDHN COc1c(O)ccc(CN2C[C@@H](C)N(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000893668090 710769666 /nfs/dbraw/zinc/76/96/66/710769666.db2.gz CXBDJEYSERJQBN-GHMZBOCLSA-N 0 3 309.366 1.833 20 5 DDBDHN C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CN(C)CCN1C ZINC000895246833 711464818 /nfs/dbraw/zinc/46/48/18/711464818.db2.gz QNLVKDDNNJISRN-QMTHXVAHSA-N 0 3 318.381 1.517 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000913930632 713321463 /nfs/dbraw/zinc/32/14/63/713321463.db2.gz KEDWXUQPKIHLSM-FZMZJTMJSA-N 0 3 321.381 1.399 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccccc1CN(C)C ZINC000930126663 713762434 /nfs/dbraw/zinc/76/24/34/713762434.db2.gz OUMIRYMLOYPXSO-UHFFFAOYSA-N 0 3 317.349 1.800 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](C)CN1CCOCC1 ZINC000921534465 713800880 /nfs/dbraw/zinc/80/08/80/713800880.db2.gz SEBCADADELIKGE-ZDUSSCGKSA-N 0 3 323.393 1.804 20 5 DDBDHN C[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000932346794 714315380 /nfs/dbraw/zinc/31/53/80/714315380.db2.gz KUWZHCYPKDBHCG-QWHCGFSZSA-N 0 3 310.350 1.445 20 5 DDBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCN(C)CCO ZINC000925001486 714722507 /nfs/dbraw/zinc/72/25/07/714722507.db2.gz OFXJTIMMBJSHDO-UHFFFAOYSA-N 0 3 315.757 1.211 20 5 DDBDHN COc1cc(C)c([N+](=O)[O-])cc1NCCCN1CCN(C)CC1 ZINC001161708492 745307684 /nfs/dbraw/zinc/30/76/84/745307684.db2.gz LZCYEFHOTIOJLD-UHFFFAOYSA-N 0 3 322.409 1.961 20 5 DDBDHN C[C@H](Nc1ncc2cccc([N+](=O)[O-])c2n1)[C@@H]1CNCCO1 ZINC001170566655 768173030 /nfs/dbraw/zinc/17/30/30/768173030.db2.gz AXNLIHASULEWHD-CABZTGNLSA-N 0 3 303.322 1.327 20 5 DDBDHN C[C@@H](Nc1cc2cccnc2c([N+](=O)[O-])c1)[C@H]1CNCCO1 ZINC001170567284 768175616 /nfs/dbraw/zinc/17/56/16/768175616.db2.gz CQKWVISSWFGZTE-QMTHXVAHSA-N 0 3 302.334 1.932 20 5 DDBDHN COC(=O)Cc1ccc(N[C@@H](C)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170569577 768183178 /nfs/dbraw/zinc/18/31/78/768183178.db2.gz JVDCMZVOQCMDKM-HZMBPMFUSA-N 0 3 323.349 1.099 20 5 DDBDHN C[C@H](Nc1cc2c(c([N+](=O)[O-])c1)NN(C)C2)[C@H]1CNCCO1 ZINC001170576446 768253216 /nfs/dbraw/zinc/25/32/16/768253216.db2.gz VFRXBHGFRWQNBP-TVQRCGJNSA-N 0 3 307.354 1.156 20 5 DDBDHN Cc1cnoc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001146495049 772878057 /nfs/dbraw/zinc/87/80/57/772878057.db2.gz URFXMZVAPOPEOA-UHFFFAOYSA-N 0 3 304.306 1.411 20 5 DDBDHN Cc1[nH]cnc1CC(=O)NCCNc1cc(C)ccc1[N+](=O)[O-] ZINC001093776590 775101330 /nfs/dbraw/zinc/10/13/30/775101330.db2.gz JVWFEFJAMBFJFB-UHFFFAOYSA-N 0 3 317.349 1.706 20 5 DDBDHN NCc1ccnn1-c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001155130188 861758838 /nfs/dbraw/zinc/75/88/38/861758838.db2.gz DIZUDSXVYBUTJL-UHFFFAOYSA-N 0 3 314.280 1.835 20 5 DDBDHN CCOC(=O)c1ccnc(Nc2ccc(CN)nc2)c1[N+](=O)[O-] ZINC001160405794 865818375 /nfs/dbraw/zinc/81/83/75/865818375.db2.gz MZFZCBAVHDUIIQ-UHFFFAOYSA-N 0 3 317.305 1.764 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC001322508684 868212333 /nfs/dbraw/zinc/21/23/33/868212333.db2.gz DSCBPRSDGRWPMN-ZUZCIYMTSA-N 0 3 318.377 1.849 20 5 DDBDHN CC(C)Oc1nc(N2CC[C@@H]3NCCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001165274084 869486534 /nfs/dbraw/zinc/48/65/34/869486534.db2.gz GOFKFUDBMKPJHX-AAEUAGOBSA-N 0 3 322.365 1.344 20 5 DDBDHN CN(CCCNC(=O)C(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001231017557 885140531 /nfs/dbraw/zinc/14/05/31/885140531.db2.gz CYMBGXWIHFGGAU-UHFFFAOYSA-N 0 3 301.293 1.798 20 5 DDBDHN CN(CCCNC(=O)c1ccon1)Cc1cccc([N+](=O)[O-])c1 ZINC001234511938 888038413 /nfs/dbraw/zinc/03/84/13/888038413.db2.gz BCKOFADWYQJCCY-UHFFFAOYSA-N 0 3 318.333 1.835 20 5 DDBDHN CC(=O)NC1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599661 896524752 /nfs/dbraw/zinc/52/47/52/896524752.db2.gz OBLNVPQDEAYXKM-INIZCTEOSA-N 0 3 303.362 1.663 20 5 DDBDHN Cc1cccc(C)c1CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001258292164 898130507 /nfs/dbraw/zinc/13/05/07/898130507.db2.gz QBSMETOKTCWNHU-GDBMZVCRSA-N 0 3 317.389 1.613 20 5 DDBDHN Cn1c(CCC[N+](=O)[O-])nnc1N1CCN(C2CCCC2)CC1 ZINC001262859963 900397902 /nfs/dbraw/zinc/39/79/02/900397902.db2.gz GQBNHLAJUWOUGW-UHFFFAOYSA-N 0 3 322.413 1.089 20 5 DDBDHN CN1CCCC[C@@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001263094413 900492930 /nfs/dbraw/zinc/49/29/30/900492930.db2.gz GFABFLMPVFRACR-OAHLLOKOSA-N 0 3 320.393 1.921 20 5 DDBDHN COc1ccc(NC(=O)NCC2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272857290 210250568 /nfs/dbraw/zinc/25/05/68/210250568.db2.gz RKJKLPXXNDKEMQ-UHFFFAOYSA-N 0 3 320.349 1.987 20 5 DDBDHN Cc1c(Cl)cc(S(=O)(=O)N(C)C2CNC2)cc1[N+](=O)[O-] ZINC000090289963 185289516 /nfs/dbraw/zinc/28/95/16/185289516.db2.gz MXQOREXRAGESIF-UHFFFAOYSA-N 0 3 319.770 1.149 20 5 DDBDHN CCN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286637332 219097731 /nfs/dbraw/zinc/09/77/31/219097731.db2.gz SWQZTFPDSBMQKO-ZDUSSCGKSA-N 0 3 320.393 1.949 20 5 DDBDHN CCNC(=O)[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000292748704 282357206 /nfs/dbraw/zinc/35/72/06/282357206.db2.gz BAFQTZUDTODJMT-KBPBESRZSA-N 0 3 309.366 1.379 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN(C)C2)c1 ZINC000108333542 185507228 /nfs/dbraw/zinc/50/72/28/185507228.db2.gz WFIGTMZEWKDZJA-NSHDSACASA-N 0 3 307.350 1.675 20 5 DDBDHN Cc1ccc([C@H](C)NCCN2C(=O)N[C@@H](C)C2=O)cc1[N+](=O)[O-] ZINC000459388730 233154434 /nfs/dbraw/zinc/15/44/34/233154434.db2.gz PFINXEZRLVIDKS-QWRGUYRKSA-N 0 3 320.349 1.494 20 5 DDBDHN CN1CCC[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000066050032 352975371 /nfs/dbraw/zinc/97/53/71/352975371.db2.gz WMMUBKBQKYMSTM-CYBMUJFWSA-N 0 3 316.361 1.760 20 5 DDBDHN C[C@@H]1COCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000331926348 234285226 /nfs/dbraw/zinc/28/52/26/234285226.db2.gz CUZOQUDSTBRKHI-GXTWGEPZSA-N 0 3 310.350 1.303 20 5 DDBDHN CCc1ccc(C(=O)NCCN(C)CCOC)cc1[N+](=O)[O-] ZINC000174169629 198300887 /nfs/dbraw/zinc/30/08/87/198300887.db2.gz AQCZARHDLVBREQ-UHFFFAOYSA-N 0 3 309.366 1.465 20 5 DDBDHN O=C1CC2(CN1)CCN(CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000075012706 353341808 /nfs/dbraw/zinc/34/18/08/353341808.db2.gz RYNULLZBICCTGE-UHFFFAOYSA-N 0 3 319.361 1.576 20 5 DDBDHN CN(C)CCn1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000127389021 354063571 /nfs/dbraw/zinc/06/35/71/354063571.db2.gz RLVMTKUUXCPSKG-UHFFFAOYSA-N 0 3 318.337 1.997 20 5 DDBDHN C[C@H](NC(=O)NC[C@]1(O)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358668489 299218449 /nfs/dbraw/zinc/21/84/49/299218449.db2.gz XNRIFYZIDPGCGH-XHDPSFHLSA-N 0 3 322.365 1.022 20 5 DDBDHN CN(C)[C@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000587857263 354886301 /nfs/dbraw/zinc/88/63/01/354886301.db2.gz FNHISMIYPMEWMZ-JTQLQIEISA-N 0 3 303.322 1.384 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCN(CC3CC3)C2)n1 ZINC000587973720 354888189 /nfs/dbraw/zinc/88/81/89/354888189.db2.gz XVYBWTYTNUQCFN-LLVKDONJSA-N 0 3 320.349 1.673 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc([N+](=O)[O-])c1 ZINC000588860630 354943394 /nfs/dbraw/zinc/94/33/94/354943394.db2.gz KIAFLSQLMLJQHT-HIFRSBDPSA-N 0 3 319.361 1.184 20 5 DDBDHN CN1C[C@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@@H]2C1 ZINC000590010676 355040075 /nfs/dbraw/zinc/04/00/75/355040075.db2.gz OSRDJTJXTLYSJK-IAQYHMDHSA-N 0 3 319.361 1.597 20 5 DDBDHN CCOc1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590045570 355043629 /nfs/dbraw/zinc/04/36/29/355043629.db2.gz RZCDKFQHFUJLNX-TZMCWYRMSA-N 0 3 319.361 1.770 20 5 DDBDHN CC[C@H]1CN(C)CCCN1C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000590344482 355075188 /nfs/dbraw/zinc/07/51/88/355075188.db2.gz TYXRBPVZCXPUKN-NSHDSACASA-N 0 3 323.397 1.998 20 5 DDBDHN CC[C@H]1CN(C)CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000590344482 355075191 /nfs/dbraw/zinc/07/51/91/355075191.db2.gz TYXRBPVZCXPUKN-NSHDSACASA-N 0 3 323.397 1.998 20 5 DDBDHN CNc1c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590443457 355097391 /nfs/dbraw/zinc/09/73/91/355097391.db2.gz KKVUJZJVTKDJAD-GXFFZTMASA-N 0 3 304.350 1.413 20 5 DDBDHN Cc1cc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000591740933 355375787 /nfs/dbraw/zinc/37/57/87/355375787.db2.gz KPPBQZKKHLNHGR-CYBMUJFWSA-N 0 3 306.322 1.156 20 5 DDBDHN Cc1cc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000591740933 355375789 /nfs/dbraw/zinc/37/57/89/355375789.db2.gz KPPBQZKKHLNHGR-CYBMUJFWSA-N 0 3 306.322 1.156 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CNC3)n1 ZINC000591684968 355361509 /nfs/dbraw/zinc/36/15/09/355361509.db2.gz MDZMPOLHOFPILW-UHFFFAOYSA-N 0 3 301.306 1.667 20 5 DDBDHN CCCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000592831322 355707266 /nfs/dbraw/zinc/70/72/66/355707266.db2.gz KSRDFPWAWNACLA-CYBMUJFWSA-N 0 3 320.393 1.949 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000593720279 355976496 /nfs/dbraw/zinc/97/64/96/355976496.db2.gz JPMZGUOOVYVVRN-RISCZKNCSA-N 0 3 307.325 1.439 20 5 DDBDHN CN(CCN1CCCCC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000593884779 356040865 /nfs/dbraw/zinc/04/08/65/356040865.db2.gz WPQOCYGXJQHBCQ-UHFFFAOYSA-N 0 3 321.377 1.918 20 5 DDBDHN COC[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(OC)c1 ZINC000595684855 356609384 /nfs/dbraw/zinc/60/93/84/356609384.db2.gz QVRZXNNEQHJNCW-CQSZACIVSA-N 0 3 320.349 1.777 20 5 DDBDHN C[C@H](CO)[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595679069 356607475 /nfs/dbraw/zinc/60/74/75/356607475.db2.gz UTICLVPURXOESR-OCCSQVGLSA-N 0 3 309.366 1.239 20 5 DDBDHN O=C1CC[C@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000595745625 356633934 /nfs/dbraw/zinc/63/39/34/356633934.db2.gz YSSWJUZDQKGQDK-SWLSCSKDSA-N 0 3 319.361 1.574 20 5 DDBDHN CC(C)N1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596111070 356776014 /nfs/dbraw/zinc/77/60/14/356776014.db2.gz WLHHWUXRFXAUKG-UHFFFAOYSA-N 0 3 306.366 1.614 20 5 DDBDHN CN(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000596242334 356829916 /nfs/dbraw/zinc/82/99/16/356829916.db2.gz DNBJGPMBTDIZPA-MRVPVSSYSA-N 0 3 318.171 1.692 20 5 DDBDHN CCN1CCCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000596268626 356839105 /nfs/dbraw/zinc/83/91/05/356839105.db2.gz KTTHQRJSXAMVEM-LBPRGKRZSA-N 0 3 320.393 1.875 20 5 DDBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000597254296 357110692 /nfs/dbraw/zinc/11/06/92/357110692.db2.gz IOLXJKPCDATSDD-UHFFFAOYSA-N 0 3 316.361 1.952 20 5 DDBDHN CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@@H]1CCN(CC)C1 ZINC000598040095 357438563 /nfs/dbraw/zinc/43/85/63/357438563.db2.gz CHALXWZIIYPPOU-CYBMUJFWSA-N 0 3 323.397 1.433 20 5 DDBDHN C[C@H](CN1CCC(C)CC1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000598266497 357515002 /nfs/dbraw/zinc/51/50/02/357515002.db2.gz YTPJBZWPRRWAHB-CYBMUJFWSA-N 0 3 323.397 1.418 20 5 DDBDHN CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2OC)C[C@H](C)N1 ZINC000598532237 357623639 /nfs/dbraw/zinc/62/36/39/357623639.db2.gz VWKIPBXFCMMEKV-WDEREUQCSA-N 0 3 307.350 1.816 20 5 DDBDHN CCN1CCCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598596708 357646908 /nfs/dbraw/zinc/64/69/08/357646908.db2.gz UBEKIBLEVJCTFM-UHFFFAOYSA-N 0 3 308.338 1.308 20 5 DDBDHN O=[N+]([O-])c1c2ccncc2ccc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000599100709 357815944 /nfs/dbraw/zinc/81/59/44/357815944.db2.gz MHQMDAHCXNIRIB-QWHCGFSZSA-N 0 3 314.345 1.398 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCN1CC[C@@H](O)C1 ZINC000599176322 357840133 /nfs/dbraw/zinc/84/01/33/357840133.db2.gz QRUNJJXQAZALOU-LLVKDONJSA-N 0 3 323.349 1.168 20 5 DDBDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000599625489 357997015 /nfs/dbraw/zinc/99/70/15/357997015.db2.gz MHESYJLWLJYMTL-PVTKRXDGSA-N 0 3 321.377 1.959 20 5 DDBDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000599625486 357997027 /nfs/dbraw/zinc/99/70/27/357997027.db2.gz MHESYJLWLJYMTL-AZKPJATDSA-N 0 3 321.377 1.959 20 5 DDBDHN NC(=O)c1ccc(CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)c([N+](=O)[O-])c1 ZINC000599681983 358023028 /nfs/dbraw/zinc/02/30/28/358023028.db2.gz SXTSGHCYWINZCP-CUOATXAZSA-N 0 3 305.334 1.039 20 5 DDBDHN COc1ccc([C@H](NCCn2cc([N+](=O)[O-])cn2)C2CC2)cn1 ZINC000599699894 358031214 /nfs/dbraw/zinc/03/12/14/358031214.db2.gz NTJZSINXNHSSJH-OAHLLOKOSA-N 0 3 317.349 1.936 20 5 DDBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@]1(O)CCOC1 ZINC000602581164 359054361 /nfs/dbraw/zinc/05/43/61/359054361.db2.gz FBFJMDXOZJWGIU-GFCCVEGCSA-N 0 3 320.267 1.855 20 5 DDBDHN COC(=O)[C@H]1CC12CCN(CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC000602784007 359188941 /nfs/dbraw/zinc/18/89/41/359188941.db2.gz GJZANCIZHLWSQH-GFCCVEGCSA-N 0 3 322.365 1.375 20 5 DDBDHN Cc1c(CN2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000602726437 359151834 /nfs/dbraw/zinc/15/18/34/359151834.db2.gz WQMCXADCVWAZBL-HZPDHXFCSA-N 0 3 317.345 1.388 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000602839814 359228563 /nfs/dbraw/zinc/22/85/63/359228563.db2.gz IVAMJXIHFUMBNX-LSDHHAIUSA-N 0 3 316.361 1.908 20 5 DDBDHN CC(C)OC(=O)C[C@H](NCc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000602872116 359255447 /nfs/dbraw/zinc/25/54/47/359255447.db2.gz CSORXDSOJOZWQM-LBPRGKRZSA-N 0 3 312.370 1.784 20 5 DDBDHN CCN1[C@H](C)CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000602874575 359257045 /nfs/dbraw/zinc/25/70/45/359257045.db2.gz QNYGLVDDWUXRGY-BETUJISGSA-N 0 3 320.393 1.948 20 5 DDBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H]3CCc4ncnn43)CC2)n1 ZINC000602819527 359214950 /nfs/dbraw/zinc/21/49/50/359214950.db2.gz SWKOOAKNOBBQGY-GFCCVEGCSA-N 0 3 317.353 1.207 20 5 DDBDHN CCN(C(=O)Nc1c(C)cncc1[N+](=O)[O-])[C@@H]1CCN(CC)C1 ZINC000602961629 359324868 /nfs/dbraw/zinc/32/48/68/359324868.db2.gz XZMKUTDSPXHDIS-GFCCVEGCSA-N 0 3 321.381 1.668 20 5 DDBDHN CC[C@]1(CO)CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000187580111 200130536 /nfs/dbraw/zinc/13/05/36/200130536.db2.gz NDYDAEHMQLQPRU-HNNXBMFYSA-N 0 3 309.366 1.241 20 5 DDBDHN CC(C)N1CCN([C@@H]2CCN(c3cccnc3[N+](=O)[O-])C2)CC1 ZINC000610726091 360518270 /nfs/dbraw/zinc/51/82/70/360518270.db2.gz PPNANKGEHGEGOW-CQSZACIVSA-N 0 3 319.409 1.595 20 5 DDBDHN COC[C@@H]1CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612086274 360913738 /nfs/dbraw/zinc/91/37/38/360913738.db2.gz LVWZMVSICSKQBS-QWHCGFSZSA-N 0 3 310.350 1.445 20 5 DDBDHN CCN1CCN(CCNc2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000359080741 299322470 /nfs/dbraw/zinc/32/24/70/299322470.db2.gz HOYKHDGNHWSWQI-UHFFFAOYSA-N 0 3 307.398 1.656 20 5 DDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)N1CCCC[C@@H]1C ZINC000350014791 284132289 /nfs/dbraw/zinc/13/22/89/284132289.db2.gz QMUXUGYLPUOYTD-WDEREUQCSA-N 0 3 321.381 1.565 20 5 DDBDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000264626943 204037779 /nfs/dbraw/zinc/03/77/79/204037779.db2.gz PZDHGNWXZVODAI-LBPRGKRZSA-N 0 3 313.379 1.310 20 5 DDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000264627486 204039653 /nfs/dbraw/zinc/03/96/53/204039653.db2.gz MZOPQNCQWJIOIX-UHFFFAOYSA-N 0 3 320.393 1.304 20 5 DDBDHN CN(C)[C@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267200087 205887340 /nfs/dbraw/zinc/88/73/40/205887340.db2.gz DUQXDFMPOOYORP-HNNXBMFYSA-N 0 3 323.418 1.691 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](O)C1 ZINC000041886291 183223604 /nfs/dbraw/zinc/22/36/04/183223604.db2.gz ASFZPMFNPXFVGB-LBPRGKRZSA-N 0 3 323.349 1.389 20 5 DDBDHN C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000274026253 211285375 /nfs/dbraw/zinc/28/53/75/211285375.db2.gz MDIZADTWPPZCIL-JTQLQIEISA-N 0 3 303.322 1.997 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC2(CCOCC2)CC1 ZINC000284800723 218184011 /nfs/dbraw/zinc/18/40/11/218184011.db2.gz PJODPSNOOXJKDW-UHFFFAOYSA-N 0 3 321.377 1.649 20 5 DDBDHN COC(=O)c1cc(C(=O)NC[C@H]2CCN(C)C2)cc([N+](=O)[O-])c1 ZINC000109848043 194293073 /nfs/dbraw/zinc/29/30/73/194293073.db2.gz ZKIMBADPOBIUTL-SNVBAGLBSA-N 0 3 321.333 1.063 20 5 DDBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000110995338 194379332 /nfs/dbraw/zinc/37/93/32/194379332.db2.gz FHJWWIJKSJLKNI-LLVKDONJSA-N 0 3 324.356 1.920 20 5 DDBDHN CCc1nn(C)c(N2C[C@@H](SC)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000340753734 251194656 /nfs/dbraw/zinc/19/46/56/251194656.db2.gz MNYDTHMSHUQLOI-WDEREUQCSA-N 0 3 313.427 1.373 20 5 DDBDHN O=C(CNc1ccccc1[N+](=O)[O-])N1CCCN(C2CC2)CC1 ZINC000061604059 184177621 /nfs/dbraw/zinc/17/76/21/184177621.db2.gz NHPAYWUIWLCENB-UHFFFAOYSA-N 0 3 318.377 1.703 20 5 DDBDHN COc1cc(CN2CCC[C@@H](CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000352541499 285127843 /nfs/dbraw/zinc/12/78/43/285127843.db2.gz YNGFMXZCKXMYHB-NSHDSACASA-N 0 3 307.350 1.691 20 5 DDBDHN COc1ccc(NC(=O)CSCCN(C)C)c([N+](=O)[O-])c1 ZINC000120245085 195126546 /nfs/dbraw/zinc/12/65/46/195126546.db2.gz ZIMOMVHDJWCMGM-UHFFFAOYSA-N 0 3 313.379 1.837 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@]1(C)CCO[C@H]1C ZINC000494237775 533137950 /nfs/dbraw/zinc/13/79/50/533137950.db2.gz MZHXHRJWLUZGTJ-BONVTDFDSA-N 0 3 323.349 1.699 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC[C@H]1OC ZINC000451630049 533138087 /nfs/dbraw/zinc/13/80/87/533138087.db2.gz IYUOUVRXHNQSLJ-DGCLKSJQSA-N 0 3 323.349 1.699 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000120633452 195205901 /nfs/dbraw/zinc/20/59/01/195205901.db2.gz YJRHJSDDHGTPRD-AWEZNQCLSA-N 0 3 306.366 1.531 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1(F)F ZINC000289783081 221222473 /nfs/dbraw/zinc/22/24/73/221222473.db2.gz LVOHORSOVGMZFO-KOLCDFICSA-N 0 3 304.297 1.129 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)C(C)(C)O ZINC000271621622 209066556 /nfs/dbraw/zinc/06/65/56/209066556.db2.gz MGYGGXOVOYYHFH-UHFFFAOYSA-N 0 3 309.366 1.981 20 5 DDBDHN CN(C)C[C@@H]1CCCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000078454938 407029137 /nfs/dbraw/zinc/02/91/37/407029137.db2.gz DUNDOKHTYCIGSM-ZDUSSCGKSA-N 0 3 320.393 1.949 20 5 DDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000115439653 407680051 /nfs/dbraw/zinc/68/00/51/407680051.db2.gz SATXPXGZKKXFRT-CYBMUJFWSA-N 0 3 320.393 1.807 20 5 DDBDHN COCCCOCCN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000271543558 407721212 /nfs/dbraw/zinc/72/12/12/407721212.db2.gz KHMMFOYDNPLJOC-UHFFFAOYSA-N 0 3 312.366 1.959 20 5 DDBDHN CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000186716050 407752244 /nfs/dbraw/zinc/75/22/44/407752244.db2.gz DZXUCNXCRYHZGE-CJNGLKHVSA-N 0 3 321.377 1.744 20 5 DDBDHN C[C@H](O)C[C@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000153191854 407773635 /nfs/dbraw/zinc/77/36/35/407773635.db2.gz WWPGNGLGERCYGL-GXFFZTMASA-N 0 3 307.350 1.429 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000268158908 407920250 /nfs/dbraw/zinc/92/02/50/407920250.db2.gz HNJFNEJZLORCAO-QPUJVOFHSA-N 0 3 322.340 1.529 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272441352 407922632 /nfs/dbraw/zinc/92/26/32/407922632.db2.gz INGPOMKBVCEFHH-WFASDCNBSA-N 0 3 303.362 1.690 20 5 DDBDHN COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)ccc1[N+](=O)[O-] ZINC000245460791 407991189 /nfs/dbraw/zinc/99/11/89/407991189.db2.gz WALCYYJUIWRPAJ-OLZOCXBDSA-N 0 3 319.361 1.912 20 5 DDBDHN CC(C)N(CCN(C)C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182617839 408204038 /nfs/dbraw/zinc/20/40/38/408204038.db2.gz VWJDFLWVJVYRQS-UHFFFAOYSA-N 0 3 323.349 1.736 20 5 DDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000247311831 408448714 /nfs/dbraw/zinc/44/87/14/408448714.db2.gz HMGIBVXCJZTOJJ-SWLSCSKDSA-N 0 3 321.377 1.772 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@]1(O)CCSC1 ZINC000176751533 408431109 /nfs/dbraw/zinc/43/11/09/408431109.db2.gz SMTHIPXRWCELQB-AWEZNQCLSA-N 0 3 312.391 1.951 20 5 DDBDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000264624237 408543451 /nfs/dbraw/zinc/54/34/51/408543451.db2.gz OSGIAMUTRYQBBQ-NSHDSACASA-N 0 3 313.379 1.310 20 5 DDBDHN CN1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000265361147 408625659 /nfs/dbraw/zinc/62/56/59/408625659.db2.gz XMRHHQKHEKQMGX-UHFFFAOYSA-N 0 3 302.334 1.854 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCN1CCC(O)CC1 ZINC000265643336 408726126 /nfs/dbraw/zinc/72/61/26/408726126.db2.gz WSDVHVHMBWWJLW-UHFFFAOYSA-N 0 3 321.377 1.480 20 5 DDBDHN C[C@H](O)CN1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000249512744 408734939 /nfs/dbraw/zinc/73/49/39/408734939.db2.gz OQOOYPUHRYIPNQ-KBPBESRZSA-N 0 3 307.394 1.524 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](O)[C@@H](C)C1 ZINC000249598809 408748838 /nfs/dbraw/zinc/74/88/38/408748838.db2.gz XQEUANFUPUBRKP-WFASDCNBSA-N 0 3 321.377 1.935 20 5 DDBDHN CN(C)CCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000281257845 408876774 /nfs/dbraw/zinc/87/67/74/408876774.db2.gz VCNXJKSEMYHKPQ-UHFFFAOYSA-N 0 3 314.345 1.948 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@](O)(C(N)=O)C1 ZINC000286103533 408924118 /nfs/dbraw/zinc/92/41/18/408924118.db2.gz IMKWPJREWIEHLL-IAQYHMDHSA-N 0 3 307.350 1.276 20 5 DDBDHN CNC(=O)[C@H](C)N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000291857763 408934815 /nfs/dbraw/zinc/93/48/15/408934815.db2.gz HHEQQYQJRIVLFF-ZJUUUORDSA-N 0 3 308.338 1.036 20 5 DDBDHN CN1CC[C@@]2(CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292345722 409026715 /nfs/dbraw/zinc/02/67/15/409026715.db2.gz QJGFJSZJQQEMQF-OAHLLOKOSA-N 0 3 304.350 1.226 20 5 DDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCN(C)C1CC1 ZINC000282844192 409066287 /nfs/dbraw/zinc/06/62/87/409066287.db2.gz UBHWOFOJQCHJKZ-UHFFFAOYSA-N 0 3 320.393 1.873 20 5 DDBDHN CN1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)C1 ZINC000293654770 409154464 /nfs/dbraw/zinc/15/44/64/409154464.db2.gz HGFICTNQUPDVLU-HNNXBMFYSA-N 0 3 322.340 1.484 20 5 DDBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CCN(C2CC2)C1 ZINC000295065026 409312264 /nfs/dbraw/zinc/31/22/64/409312264.db2.gz ZMCNUDVDDFHBEJ-JTQLQIEISA-N 0 3 319.365 1.009 20 5 DDBDHN C[C@H](NC1CC1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000296466107 409569379 /nfs/dbraw/zinc/56/93/79/409569379.db2.gz PAYAOVOOMHWDTQ-LBPRGKRZSA-N 0 3 318.377 1.384 20 5 DDBDHN Cn1cc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000331550691 409625772 /nfs/dbraw/zinc/62/57/72/409625772.db2.gz GWTFUSHYSFRFNC-QWHCGFSZSA-N 0 3 304.354 1.798 20 5 DDBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN(CCCO)C1 ZINC000296475515 409577352 /nfs/dbraw/zinc/57/73/52/409577352.db2.gz WIFXFQSFDKCCOG-ZDUSSCGKSA-N 0 3 322.365 1.563 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCNc1ccncc1 ZINC000338051056 409678298 /nfs/dbraw/zinc/67/82/98/409678298.db2.gz DTMDHNCRMHWYSY-UHFFFAOYSA-N 0 3 300.318 1.562 20 5 DDBDHN COC[C@H](C)OC[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296870129 409679331 /nfs/dbraw/zinc/67/93/31/409679331.db2.gz ZMVNOKNCWLRJBS-SLEUVZQESA-N 0 3 312.366 1.658 20 5 DDBDHN Cc1c(C(=O)NCCNc2ccncc2)cccc1[N+](=O)[O-] ZINC000338069219 409692104 /nfs/dbraw/zinc/69/21/04/409692104.db2.gz LRRXFTWXDVZHEK-UHFFFAOYSA-N 0 3 300.318 1.562 20 5 DDBDHN C[C@H](CN(C)C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000346156638 409828531 /nfs/dbraw/zinc/82/85/31/409828531.db2.gz BHLXKWIXKPRLRF-SNVBAGLBSA-N 0 3 306.366 1.849 20 5 DDBDHN O=[N+]([O-])c1ccccc1/C=C/CNCCN1CCCOCC1 ZINC000349373455 409812490 /nfs/dbraw/zinc/81/24/90/409812490.db2.gz WRHPRICQXAZTSI-ZZXKWVIFSA-N 0 3 305.378 1.920 20 5 DDBDHN CCOc1cc(OC[C@@H](O)CN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000357452064 410049306 /nfs/dbraw/zinc/04/93/06/410049306.db2.gz KVLSWSWFCBFFIU-LBPRGKRZSA-N 0 3 310.350 1.827 20 5 DDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000346727123 410115245 /nfs/dbraw/zinc/11/52/45/410115245.db2.gz JZNLEFVCPOLXPZ-LBPRGKRZSA-N 0 3 310.354 1.106 20 5 DDBDHN CCN1CCC(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000298373006 410199218 /nfs/dbraw/zinc/19/92/18/410199218.db2.gz KRDGPWVOAVLXEF-UHFFFAOYSA-N 0 3 317.349 1.685 20 5 DDBDHN C[C@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000351774894 410224020 /nfs/dbraw/zinc/22/40/20/410224020.db2.gz PGFPHEDEWSVUPT-GXFFZTMASA-N 0 3 321.333 1.205 20 5 DDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NCCN1CCCCCC1 ZINC000298452596 410234146 /nfs/dbraw/zinc/23/41/46/410234146.db2.gz VCZAXWOMMXMAQY-UHFFFAOYSA-N 0 3 307.354 1.377 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1N(C)C ZINC000332718669 410234669 /nfs/dbraw/zinc/23/46/69/410234669.db2.gz QQVVTAWONSKYRB-GHMZBOCLSA-N 0 3 312.395 1.051 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343459816 410470561 /nfs/dbraw/zinc/47/05/61/410470561.db2.gz SHYHHJKYZNGYOU-BXUZGUMPSA-N 0 3 307.350 1.573 20 5 DDBDHN COC(=O)COc1ccc(CN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000355602900 410603290 /nfs/dbraw/zinc/60/32/90/410603290.db2.gz WHZWUSXATYUURM-NSHDSACASA-N 0 3 308.334 1.988 20 5 DDBDHN Cn1nncc1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000352599013 410670332 /nfs/dbraw/zinc/67/03/32/410670332.db2.gz XDNONBZCJCEUSE-NEPJUHHUSA-N 0 3 305.342 1.193 20 5 DDBDHN Cc1nccn1CCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347782988 410718874 /nfs/dbraw/zinc/71/88/74/410718874.db2.gz JLFKTTJSRYPYLD-UHFFFAOYSA-N 0 3 301.350 1.943 20 5 DDBDHN CCN(CCO)CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000347793190 410721738 /nfs/dbraw/zinc/72/17/38/410721738.db2.gz LSSMQLLTSYIYON-UHFFFAOYSA-N 0 3 320.349 1.120 20 5 DDBDHN CC[C@@H](C)N[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccco1 ZINC000359554372 410727677 /nfs/dbraw/zinc/72/76/77/410727677.db2.gz IXPQKDSZFDGXOF-MWLCHTKSSA-N 0 3 321.337 1.770 20 5 DDBDHN Cc1nn(C)c(NC2CCN([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000301729365 410784613 /nfs/dbraw/zinc/78/46/13/410784613.db2.gz RPNSDPDSOKNYOD-LBPRGKRZSA-N 0 3 309.370 1.302 20 5 DDBDHN CCOC(=O)c1ccnc(N2CCN(C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000348174278 410836799 /nfs/dbraw/zinc/83/67/99/410836799.db2.gz KIPJQQZEKGPNMA-LLVKDONJSA-N 0 3 322.365 1.697 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000129300079 196037765 /nfs/dbraw/zinc/03/77/65/196037765.db2.gz RCDQJVGLZQWCKR-HNNXBMFYSA-N 0 3 305.378 1.749 20 5 DDBDHN CC[C@@H]1CCCCN1CCNC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191814540 222109715 /nfs/dbraw/zinc/10/97/15/222109715.db2.gz TXVVSNCAUGSNFM-GFCCVEGCSA-N 0 3 323.397 1.806 20 5 DDBDHN CNC(=O)c1ccc(N2CC[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000375035558 418591795 /nfs/dbraw/zinc/59/17/95/418591795.db2.gz CTNFLEBQLKZOOS-XHDPSFHLSA-N 0 3 318.377 1.485 20 5 DDBDHN Cc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375130609 418608647 /nfs/dbraw/zinc/60/86/47/418608647.db2.gz JASDOPRWXWDSAK-WDEREUQCSA-N 0 3 320.349 1.313 20 5 DDBDHN Cc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375130609 418608648 /nfs/dbraw/zinc/60/86/48/418608648.db2.gz JASDOPRWXWDSAK-WDEREUQCSA-N 0 3 320.349 1.313 20 5 DDBDHN C[C@H](CO)N1CCCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000375509505 418651489 /nfs/dbraw/zinc/65/14/89/418651489.db2.gz WCAYVFXLMZRSIY-SNVBAGLBSA-N 0 3 321.337 1.024 20 5 DDBDHN O=[N+]([O-])c1cnn([C@@H]2CCCN(CCCN3CCOCC3)C2)c1 ZINC000375404207 418636427 /nfs/dbraw/zinc/63/64/27/418636427.db2.gz NPRMPOYEFKFXGN-CQSZACIVSA-N 0 3 323.397 1.151 20 5 DDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[C@H](F)CN1 ZINC000368191843 418700630 /nfs/dbraw/zinc/70/06/30/418700630.db2.gz CNFMOQTVXPSGTI-QWRGUYRKSA-N 0 3 310.329 1.213 20 5 DDBDHN C[C@H](CO)N1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000364923908 418822859 /nfs/dbraw/zinc/82/28/59/418822859.db2.gz RYSYZPYTUULFJE-NFBGWVBBSA-N 0 3 319.405 1.997 20 5 DDBDHN CNC(=O)[C@@H]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000420975175 419396943 /nfs/dbraw/zinc/39/69/43/419396943.db2.gz NUVULYASXZUUSE-LLVKDONJSA-N 0 3 323.349 1.050 20 5 DDBDHN Cc1c(CNC(=O)N2CCN[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000418082585 419519361 /nfs/dbraw/zinc/51/93/61/419519361.db2.gz QQILTMJZPHTKSP-VXGBXAGGSA-N 0 3 306.366 1.795 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(CC)[C@H](C)C2)n1 ZINC000427844431 419752599 /nfs/dbraw/zinc/75/25/99/419752599.db2.gz CUKBEFAKMNOQFE-NEPJUHHUSA-N 0 3 323.397 1.756 20 5 DDBDHN CN(C)C[C@@](C)(O)CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412203259 419719383 /nfs/dbraw/zinc/71/93/83/419719383.db2.gz GHXMUWSSRLSWEC-LZWOXQAQSA-N 0 3 321.377 1.127 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN1CCCCC1 ZINC000299265599 229016558 /nfs/dbraw/zinc/01/65/58/229016558.db2.gz WTFZLSGSGVSNFW-UHFFFAOYSA-N 0 3 309.370 1.092 20 5 DDBDHN CC1(C)C[C@H](NC[C@@H]2CNCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000423580177 420087366 /nfs/dbraw/zinc/08/73/66/420087366.db2.gz XHTIRRHKOZJKPL-WFASDCNBSA-N 0 3 305.378 1.895 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1CN(C)C1CCN(CCO)CC1 ZINC000430194026 420088901 /nfs/dbraw/zinc/08/89/01/420088901.db2.gz HTKBTARJSCNWAN-UHFFFAOYSA-N 0 3 323.393 1.492 20 5 DDBDHN CN1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000432146007 420241206 /nfs/dbraw/zinc/24/12/06/420241206.db2.gz YMQXUVPDXXKMHH-UHFFFAOYSA-N 0 3 303.322 2.151 20 5 DDBDHN CN(C(=O)c1cc([N+](=O)[O-])cnc1N)C(C)(C)CN1CCCC1 ZINC000416336055 420335405 /nfs/dbraw/zinc/33/54/05/420335405.db2.gz XTCYCSDTVXXMEV-UHFFFAOYSA-N 0 3 321.381 1.518 20 5 DDBDHN CN(C)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000416511514 420402601 /nfs/dbraw/zinc/40/26/01/420402601.db2.gz XVNYYMRLHUOFRS-UHFFFAOYSA-N 0 3 301.368 1.213 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](n3ccnn3)C2)cc1 ZINC000425504905 420403555 /nfs/dbraw/zinc/40/35/55/420403555.db2.gz XOBLWHNGIPACMW-AWEZNQCLSA-N 0 3 317.349 1.902 20 5 DDBDHN CCc1n[nH]c(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000457115292 420619854 /nfs/dbraw/zinc/61/98/54/420619854.db2.gz KWSBUMIMKVJRGB-SNVBAGLBSA-N 0 3 309.370 1.435 20 5 DDBDHN COCC[C@@]1(NCc2ccc([N+](=O)[O-])c(OC)c2)CCOC1 ZINC000447396840 420771280 /nfs/dbraw/zinc/77/12/80/420771280.db2.gz XHKBNOHQUPTAHH-OAHLLOKOSA-N 0 3 310.350 1.889 20 5 DDBDHN COc1ccc(CN[C@@H](C)C[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC000422951211 533684451 /nfs/dbraw/zinc/68/44/51/533684451.db2.gz ZWAARSCEDWYBJX-WCQYABFASA-N 0 3 309.366 1.460 20 5 DDBDHN O=C(NC[C@H]1CCCCN1CCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000454269364 420827904 /nfs/dbraw/zinc/82/79/04/420827904.db2.gz FNSCDMOKEDHGAP-CQSZACIVSA-N 0 3 322.365 1.563 20 5 DDBDHN CC[C@@H]1OCC[C@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000459765204 420868116 /nfs/dbraw/zinc/86/81/16/420868116.db2.gz CJEOYBVMLQFPOM-KFWWJZLASA-N 0 3 319.361 1.857 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@H]1CN(C)CCN1C ZINC000449138850 420957491 /nfs/dbraw/zinc/95/74/91/420957491.db2.gz JEMXUEFKZVUKRL-HIFRSBDPSA-N 0 3 306.410 1.361 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CN(C)CCN1C ZINC000449138849 420957955 /nfs/dbraw/zinc/95/79/55/420957955.db2.gz JEMXUEFKZVUKRL-DZGCQCFKSA-N 0 3 306.410 1.361 20 5 DDBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCCN2CCCO)c(F)c1 ZINC000449384160 421002397 /nfs/dbraw/zinc/00/23/97/421002397.db2.gz AGVMMESPKGQIKS-AWEZNQCLSA-N 0 3 311.357 1.670 20 5 DDBDHN COc1cc(CN2C[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000449520278 421019963 /nfs/dbraw/zinc/01/99/63/421019963.db2.gz RSVXHTGLAMSOCO-SMDDNHRTSA-N 0 3 321.377 1.748 20 5 DDBDHN CNc1nc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000455879219 421072871 /nfs/dbraw/zinc/07/28/71/421072871.db2.gz CBBPRZDXJQOUEJ-VHSXEESVSA-N 0 3 319.365 1.387 20 5 DDBDHN CN(C)CCOc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000548739738 421469598 /nfs/dbraw/zinc/46/95/98/421469598.db2.gz RIHSXBNYAXXGKL-UHFFFAOYSA-N 0 3 319.321 1.511 20 5 DDBDHN C[NH+](C)CCOc1ccc(NC(=O)c2c[n-]nc2[N+](=O)[O-])cc1 ZINC000548739738 421469601 /nfs/dbraw/zinc/46/96/01/421469601.db2.gz RIHSXBNYAXXGKL-UHFFFAOYSA-N 0 3 319.321 1.511 20 5 DDBDHN COc1ccc(CC(=O)N2C[C@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000575398931 422295781 /nfs/dbraw/zinc/29/57/81/422295781.db2.gz FRRQNOFWUYOZFC-WDEREUQCSA-N 0 3 307.350 1.355 20 5 DDBDHN Cc1c(CN)c(NC(=O)c2cccc([N+](=O)[O-])c2C)nn1C ZINC000595960943 422359631 /nfs/dbraw/zinc/35/96/31/422359631.db2.gz GTYOMNYVVAVMOM-UHFFFAOYSA-N 0 3 303.322 1.656 20 5 DDBDHN C[C@@H]1CN(CCCCNc2ccc(N)c([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000590584696 422321064 /nfs/dbraw/zinc/32/10/64/422321064.db2.gz ACIYOHRFQBJYKB-TXEJJXNPSA-N 0 3 323.397 1.873 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000577729398 422416390 /nfs/dbraw/zinc/41/63/90/422416390.db2.gz MXRAALMAYCMEBV-UWVGGRQHSA-N 0 3 301.368 1.307 20 5 DDBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@H]1N(C)C ZINC000270923759 274182560 /nfs/dbraw/zinc/18/25/60/274182560.db2.gz BEKZGSDZRVWLIK-GHMZBOCLSA-N 0 3 323.378 1.613 20 5 DDBDHN CCS(=O)(=O)C[C@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000121050829 276388974 /nfs/dbraw/zinc/38/89/74/276388974.db2.gz WUYZNTMKSOUTIG-NSHDSACASA-N 0 3 300.380 1.550 20 5 DDBDHN CN1CC[C@H]2[C@@H](CCCN2c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000248683298 290239996 /nfs/dbraw/zinc/23/99/96/290239996.db2.gz XTDHZEGWSRCGDX-STQMWFEESA-N 0 3 318.377 1.614 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CNC(C)(C)C(C)(C)O ZINC000356259505 298744929 /nfs/dbraw/zinc/74/49/29/298744929.db2.gz TWZWLGFPOUSMSH-UHFFFAOYSA-N 0 3 309.366 1.981 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCCC[C@@H]2Cn2cccn2)n1 ZINC000370027046 301261432 /nfs/dbraw/zinc/26/14/32/301261432.db2.gz NMCWFPGRRKLTIT-CYBMUJFWSA-N 0 3 304.354 1.543 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c(=O)[n-]1 ZINC000370263411 301304490 /nfs/dbraw/zinc/30/44/90/301304490.db2.gz XOXPIIFZKQIUQI-CMPLNLGQSA-N 0 3 320.349 1.170 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])c(=O)[n-]1 ZINC000370263411 301304492 /nfs/dbraw/zinc/30/44/92/301304492.db2.gz XOXPIIFZKQIUQI-CMPLNLGQSA-N 0 3 320.349 1.170 20 5 DDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000370465580 301344801 /nfs/dbraw/zinc/34/48/01/301344801.db2.gz TWVADDFRNRVSHC-NWDGAFQWSA-N 0 3 323.324 1.327 20 5 DDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)N1CCC(C)CC1 ZINC000532145906 303277569 /nfs/dbraw/zinc/27/75/69/303277569.db2.gz RSNQNWCUYCWICJ-LBPRGKRZSA-N 0 3 306.366 1.840 20 5 DDBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCN2CCC1CC2 ZINC000560067003 303799057 /nfs/dbraw/zinc/79/90/57/303799057.db2.gz MHKXYQRGZNYVAM-UHFFFAOYSA-N 0 3 304.350 1.584 20 5 DDBDHN O=C(CCN1C[C@H](O)C2(CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000364444974 307045864 /nfs/dbraw/zinc/04/58/64/307045864.db2.gz RFHMFASCNZFKKW-ZDUSSCGKSA-N 0 3 305.334 1.380 20 5 DDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000364905435 307053470 /nfs/dbraw/zinc/05/34/70/307053470.db2.gz LVXJPPHNFUMHJX-SNVBAGLBSA-N 0 3 319.365 1.319 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000371555458 307153329 /nfs/dbraw/zinc/15/33/29/307153329.db2.gz UJOFSJKOXGIUOC-SWLSCSKDSA-N 0 3 318.377 1.559 20 5 DDBDHN O=[N+]([O-])c1cnn([C@@H]2CCCN(CCN3CCCCC3)C2)c1 ZINC000372284316 307167406 /nfs/dbraw/zinc/16/74/06/307167406.db2.gz YSYVJOMVSZYUKD-CQSZACIVSA-N 0 3 307.398 1.914 20 5 DDBDHN CN1CC[C@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)[C@H]2C1 ZINC000378507649 307290637 /nfs/dbraw/zinc/29/06/37/307290637.db2.gz WPDYHAQXBHKEEU-QWRGUYRKSA-N 0 3 302.338 1.168 20 5 DDBDHN CC(COC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C)[N+](=O)[O-] ZINC000496902903 307368124 /nfs/dbraw/zinc/36/81/24/307368124.db2.gz PFTZKKRANYHQSW-MXWKQRLJSA-N 0 3 316.354 1.840 20 5 DDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cccc2c1CCNC2 ZINC000576627452 308328044 /nfs/dbraw/zinc/32/80/44/308328044.db2.gz RCWNAJHCPNCBBF-UHFFFAOYSA-N 0 3 315.333 1.466 20 5 DDBDHN CN(C)Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000579288671 308520317 /nfs/dbraw/zinc/52/03/17/308520317.db2.gz JNLJVXFNKSGTNT-UHFFFAOYSA-N 0 3 315.333 1.886 20 5 DDBDHN C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)N1CCCC1 ZINC000388817856 325773189 /nfs/dbraw/zinc/77/31/89/325773189.db2.gz AWOWHPPJKRKKNH-SECBINFHSA-N 0 3 310.329 1.530 20 5 DDBDHN COc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c([N+](=O)[O-])cc1F ZINC000590767509 483927901 /nfs/dbraw/zinc/92/79/01/483927901.db2.gz ILGYEBQLIKQDOU-RNCFNFMXSA-N 0 3 323.324 1.519 20 5 DDBDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414666864 534147602 /nfs/dbraw/zinc/14/76/02/534147602.db2.gz WYBHRPPZINGZNI-JOYOIKCWSA-N 0 3 308.338 1.829 20 5 DDBDHN Cc1cccc(C(=O)NC[C@@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000452345523 534606021 /nfs/dbraw/zinc/60/60/21/534606021.db2.gz FFOFPWADSJTUSW-ZDUSSCGKSA-N 0 3 321.377 1.480 20 5 DDBDHN CCC[C@H](NC[C@H](O)Cn1ccnn1)c1cccc([N+](=O)[O-])c1 ZINC000414181886 528225251 /nfs/dbraw/zinc/22/52/51/528225251.db2.gz MMSHQBAUZLZFJM-GJZGRUSLSA-N 0 3 319.365 1.678 20 5 DDBDHN CN(C1CCCC1)C(C)(C)C(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000754878772 700535682 /nfs/dbraw/zinc/53/56/82/700535682.db2.gz MYHRJRJRFRZOMQ-UHFFFAOYSA-N 0 3 324.381 1.988 20 5 DDBDHN COC(=O)[C@@]1(C)CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839665961 701772333 /nfs/dbraw/zinc/77/23/33/701772333.db2.gz JJUMYRBMWKJWQP-ZBFHGGJFSA-N 0 3 322.361 1.903 20 5 DDBDHN CCS(=O)(=O)CCCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840889139 702272208 /nfs/dbraw/zinc/27/22/08/702272208.db2.gz OVXIRNQQDASSCC-SNVBAGLBSA-N 0 3 315.395 1.652 20 5 DDBDHN COc1ccc(-n2nnc(C(=O)OCC(C)[N+](=O)[O-])c2C)cc1 ZINC000813107320 702294263 /nfs/dbraw/zinc/29/42/63/702294263.db2.gz PDFTWBUZUWZTEM-SECBINFHSA-N 0 3 320.305 1.406 20 5 DDBDHN Cc1nn(C)c2nc(C3CC3)cc(C(=O)OCC(C)[N+](=O)[O-])c12 ZINC000813107589 702294376 /nfs/dbraw/zinc/29/43/76/702294376.db2.gz ORGDYERZNYHRHI-QMMMGPOBSA-N 0 3 318.333 1.976 20 5 DDBDHN CCc1ccc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813108477 702295400 /nfs/dbraw/zinc/29/54/00/702295400.db2.gz YWCSLFFBBPGLPF-WCQYABFASA-N 0 3 320.345 1.810 20 5 DDBDHN Cc1cnn(-c2c(C(=O)OCC(C)[N+](=O)[O-])c(C)nn2C)c1 ZINC000813108743 702295455 /nfs/dbraw/zinc/29/54/55/702295455.db2.gz LJLZXKDFPORATA-SECBINFHSA-N 0 3 307.310 1.045 20 5 DDBDHN CC(COC(=O)c1ccc(CN2CCCC2=O)cc1)[N+](=O)[O-] ZINC000813110095 702295794 /nfs/dbraw/zinc/29/57/94/702295794.db2.gz SEAXGQKHMKARNE-NSHDSACASA-N 0 3 306.318 1.631 20 5 DDBDHN CC(COC(=O)c1cn(-c2ccc(Cl)cc2)nn1)[N+](=O)[O-] ZINC000813113074 702298093 /nfs/dbraw/zinc/29/80/93/702298093.db2.gz WYXVNGPHXBJLIL-QMMMGPOBSA-N 0 3 310.697 1.743 20 5 DDBDHN CC(COC(=O)c1cc(Cl)ccc1-n1cncn1)[N+](=O)[O-] ZINC000842801750 702776464 /nfs/dbraw/zinc/77/64/64/702776464.db2.gz KRGXZETVZITCRX-MRVPVSSYSA-N 0 3 310.697 1.743 20 5 DDBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@@H]1CNCCO1)CC2 ZINC000843492902 702892683 /nfs/dbraw/zinc/89/26/83/702892683.db2.gz AFAOZOXZEQLZIO-GFCCVEGCSA-N 0 3 305.334 1.171 20 5 DDBDHN O=[N+]([O-])c1cnn(CCNC[C@@H](O)c2ccc(F)cc2F)c1 ZINC000819177851 704082161 /nfs/dbraw/zinc/08/21/61/704082161.db2.gz XGMCLVWVCDGJLC-CYBMUJFWSA-N 0 3 312.276 1.393 20 5 DDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)CN(C)C ZINC000854465638 704402034 /nfs/dbraw/zinc/40/20/34/704402034.db2.gz RYRHXYFXJGLKNV-YKWSONSWSA-N 0 3 307.350 1.037 20 5 DDBDHN O=[N+]([O-])c1ccc2nc(NCCN3CC[C@@H](O)C3)sc2c1 ZINC000858812849 704760814 /nfs/dbraw/zinc/76/08/14/704760814.db2.gz VNGOJRMPHUPKGD-SNVBAGLBSA-N 0 3 308.363 1.683 20 5 DDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000874843458 705198507 /nfs/dbraw/zinc/19/85/07/705198507.db2.gz NMZLDTOULMOHFI-HUUCEWRRSA-N 0 3 318.377 1.702 20 5 DDBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@@](C)(O)c1ccccc1 ZINC000823592243 705275115 /nfs/dbraw/zinc/27/51/15/705275115.db2.gz QLZAVHRHJOJNME-OAHLLOKOSA-N 0 3 304.350 1.631 20 5 DDBDHN CC(COC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1)[N+](=O)[O-] ZINC000860776147 705279366 /nfs/dbraw/zinc/27/93/66/705279366.db2.gz CCGVBWXJZCBYPJ-DGCLKSJQSA-N 0 3 306.318 1.357 20 5 DDBDHN CC(COC(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21)[N+](=O)[O-] ZINC000860777578 705279923 /nfs/dbraw/zinc/27/99/23/705279923.db2.gz QSAWICMQTXXJBF-YUMQZZPRSA-N 0 3 321.255 1.988 20 5 DDBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1(CO)COC1 ZINC000872050859 707285714 /nfs/dbraw/zinc/28/57/14/707285714.db2.gz CZFSIZGZPHYZQG-JTQLQIEISA-N 0 3 312.391 1.976 20 5 DDBDHN CN(CCOC(=O)Cn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000837446498 707650832 /nfs/dbraw/zinc/65/08/32/707650832.db2.gz OCTDQOOFEUHHLO-UHFFFAOYSA-N 0 3 318.333 1.467 20 5 DDBDHN CCN1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000910285166 709866275 /nfs/dbraw/zinc/86/62/75/709866275.db2.gz RAXXGUCSOSSIEO-LBPRGKRZSA-N 0 3 323.397 1.469 20 5 DDBDHN CC1(C)CNCCN1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911849087 711030809 /nfs/dbraw/zinc/03/08/09/711030809.db2.gz YZFXIJZCIRNNQJ-UONOGXRCSA-N 0 3 303.362 1.909 20 5 DDBDHN COc1cc([C@H](C)N[C@@H](C)[C@@H]2CN(C)CCO2)cc([N+](=O)[O-])c1 ZINC000903125515 711040592 /nfs/dbraw/zinc/04/05/92/711040592.db2.gz MTGSMMQRYZPQPD-MKBNYLNASA-N 0 3 323.393 1.973 20 5 DDBDHN CN1CCC(NC(=S)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000921271831 713726710 /nfs/dbraw/zinc/72/67/10/713726710.db2.gz MVCKGRVYJNVNAT-UHFFFAOYSA-N 0 3 308.407 1.653 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923269446 714291634 /nfs/dbraw/zinc/29/16/34/714291634.db2.gz MNOWYAJFEISNCS-YPMHNXCESA-N 0 3 319.361 1.912 20 5 DDBDHN C[C@H]1COC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000932493415 714345733 /nfs/dbraw/zinc/34/57/33/714345733.db2.gz FYFRRPOIRYJCHB-GXFFZTMASA-N 0 3 305.334 1.108 20 5 DDBDHN O=[N+]([O-])c1cc(CN2CC[C@H]3[C@@H]2CCCN3CCO)cs1 ZINC000934258099 714777719 /nfs/dbraw/zinc/77/77/19/714777719.db2.gz PWLFCIIGQNUBOP-STQMWFEESA-N 0 3 311.407 1.687 20 5 DDBDHN C[C@H](NC[C@H](O)C1(O)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC001197661594 747225856 /nfs/dbraw/zinc/22/58/56/747225856.db2.gz XCWDDHHXGRIVQV-FZMZJTMJSA-N 0 3 310.350 1.148 20 5 DDBDHN Cc1cccnc1[C@@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001198642328 747559998 /nfs/dbraw/zinc/55/99/98/747559998.db2.gz YVQMTKSCFULRJN-YPMHNXCESA-N 0 3 305.338 1.206 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cncs1 ZINC001124238654 747790678 /nfs/dbraw/zinc/79/06/78/747790678.db2.gz RYMGFLPOGHNHTH-UHFFFAOYSA-N 0 3 306.347 1.571 20 5 DDBDHN COCCCCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001124573058 748333616 /nfs/dbraw/zinc/33/36/16/748333616.db2.gz MFIRNSNUBYVWQU-UHFFFAOYSA-N 0 3 309.366 1.617 20 5 DDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(Cc3ccccn3)CC2)C1 ZINC001169025317 762203404 /nfs/dbraw/zinc/20/34/04/762203404.db2.gz YPIICSGFOJSZDH-GOEBONIOSA-N 0 3 304.394 1.645 20 5 DDBDHN NCc1ccc2c(n1)N(c1ncnc(Cl)c1[N+](=O)[O-])CCC2 ZINC001169584728 762545001 /nfs/dbraw/zinc/54/50/01/762545001.db2.gz QKZXNAPLTVRSRR-UHFFFAOYSA-N 0 3 320.740 1.976 20 5 DDBDHN Cc1nc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001086364200 761501030 /nfs/dbraw/zinc/50/10/30/761501030.db2.gz WNAGRTWDXFILSG-FPQZTECRSA-N 0 3 324.406 1.101 20 5 DDBDHN C[C@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)[C@@H]1CNCCO1 ZINC001170568507 768178949 /nfs/dbraw/zinc/17/89/49/768178949.db2.gz IOMXDFURLZYDST-HZMBPMFUSA-N 0 3 306.366 1.657 20 5 DDBDHN CCc1oncc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001134546846 771046298 /nfs/dbraw/zinc/04/62/98/771046298.db2.gz XQZBAZXBZUKAOT-UHFFFAOYSA-N 0 3 318.333 1.665 20 5 DDBDHN C[C@H](CN1CCCCC1)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001136189443 771913637 /nfs/dbraw/zinc/91/36/37/771913637.db2.gz SJWQBAIJNIAINF-SNVBAGLBSA-N 0 3 307.354 1.176 20 5 DDBDHN Cc1cc(NCCNC(=O)CN(C)C(C)C)ccc1[N+](=O)[O-] ZINC001093673977 774988341 /nfs/dbraw/zinc/98/83/41/774988341.db2.gz GWVPBFJRWIRHHV-UHFFFAOYSA-N 0 3 308.382 1.772 20 5 DDBDHN CN(C)C(=O)CN(C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172915524 776929957 /nfs/dbraw/zinc/92/99/57/776929957.db2.gz NXVUPSKIAFRQSE-AWEZNQCLSA-N 0 3 305.378 1.862 20 5 DDBDHN CCN(CC)CC(=O)N(C)CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001101628487 777323149 /nfs/dbraw/zinc/32/31/49/777323149.db2.gz MIBVUZHPPRAPEL-UHFFFAOYSA-N 0 3 323.397 1.510 20 5 DDBDHN Cc1ccoc1C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001154603825 861269956 /nfs/dbraw/zinc/26/99/56/861269956.db2.gz MIOZKTXQPMNCCP-UHFFFAOYSA-N 0 3 321.337 1.139 20 5 DDBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1ccon1 ZINC001155143782 861769117 /nfs/dbraw/zinc/76/91/17/861769117.db2.gz PJYFITQMYJEMBW-UHFFFAOYSA-N 0 3 310.335 1.554 20 5 DDBDHN C/C(=C\C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC001155166454 861790774 /nfs/dbraw/zinc/79/07/74/861790774.db2.gz SLFINXVAXWVBLG-DHZHZOJOSA-N 0 3 321.381 1.281 20 5 DDBDHN Cc1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)on1 ZINC001123422758 859229907 /nfs/dbraw/zinc/22/99/07/859229907.db2.gz AHWYFBHZIORCGD-UHFFFAOYSA-N 0 3 304.306 1.411 20 5 DDBDHN O=C(CCn1cccn1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001123712758 859374086 /nfs/dbraw/zinc/37/40/86/859374086.db2.gz VRAKEBRFWZUMTO-UHFFFAOYSA-N 0 3 317.349 1.087 20 5 DDBDHN CC(C)OCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001123835333 859434477 /nfs/dbraw/zinc/43/44/77/859434477.db2.gz YOFVSOKIJXIGQO-UHFFFAOYSA-N 0 3 309.366 1.616 20 5 DDBDHN Cn1ccc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])c1 ZINC001156552926 863140828 /nfs/dbraw/zinc/14/08/28/863140828.db2.gz SDRKSFDJOLUTFJ-UHFFFAOYSA-N 0 3 316.361 1.843 20 5 DDBDHN COc1cnc(N2CCO[C@@H](CN3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001158309953 864565402 /nfs/dbraw/zinc/56/54/02/864565402.db2.gz VIJQVJIDFJYBCP-ZDUSSCGKSA-N 0 3 322.365 1.299 20 5 DDBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001304085059 871184999 /nfs/dbraw/zinc/18/49/99/871184999.db2.gz QDYVJPLJUQBQOQ-SNVBAGLBSA-N 0 3 323.324 1.245 20 5 DDBDHN C[C@@](CO)(NC[C@@H]1CCc2ncnn21)c1cccc([N+](=O)[O-])c1 ZINC001308000382 871463490 /nfs/dbraw/zinc/46/34/90/871463490.db2.gz UFLZTXFQVUARMK-ZFWWWQNUSA-N 0 3 317.349 1.171 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@H](c3ncccn3)C2)cc1 ZINC001308111071 871471563 /nfs/dbraw/zinc/47/15/63/871471563.db2.gz BMDWUSCEEIVSQE-DZGCQCFKSA-N 0 3 314.345 1.908 20 5 DDBDHN COc1c([O-])ccc(C[NH2+][C@@H](C)Cc2cnn(C)c2)c1[N+](=O)[O-] ZINC001308769026 871528199 /nfs/dbraw/zinc/52/81/99/871528199.db2.gz WHBRKKUVNQFQDT-JTQLQIEISA-N 0 3 320.349 1.763 20 5 DDBDHN Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)OCC(C)[N+](=O)[O-])C2 ZINC001344996309 873214803 /nfs/dbraw/zinc/21/48/03/873214803.db2.gz DBGXKHLACGMXDR-BONVTDFDSA-N 0 3 307.302 1.675 20 5 DDBDHN COc1cc(CC[N+](=O)[O-])ccc1OCCN1CC[C@@H](OC)C1 ZINC001233984332 887525232 /nfs/dbraw/zinc/52/52/32/887525232.db2.gz GQRAZZWGLDOMLX-CQSZACIVSA-N 0 3 324.377 1.614 20 5 DDBDHN CCCOCC(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001235137561 888430836 /nfs/dbraw/zinc/43/08/36/888430836.db2.gz OHGLYNGQZZCGIV-UHFFFAOYSA-N 0 3 323.393 1.960 20 5 DDBDHN CCN1CCCC[C@H]1CNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001293327197 914416681 /nfs/dbraw/zinc/41/66/81/914416681.db2.gz DIWDQXOJEJMNCT-NSHDSACASA-N 0 3 307.354 1.176 20 5 DDBDHN O=C(NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)C(F)F ZINC001263853342 900768465 /nfs/dbraw/zinc/76/84/65/900768465.db2.gz QWHKLDZDFDLOEX-HOMQSWHASA-N 0 3 313.304 1.844 20 5 DDBDHN CCn1nccc1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000278741750 214368935 /nfs/dbraw/zinc/36/89/35/214368935.db2.gz AAEGVVGLDIWFOL-UHFFFAOYSA-N 0 3 318.381 1.887 20 5 DDBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451634545 231146698 /nfs/dbraw/zinc/14/66/98/231146698.db2.gz RQCMMHGSWHRGIR-SLEUVZQESA-N 0 3 318.377 1.558 20 5 DDBDHN COc1ccc(OCCN[C@H]2COCC2(C)C)c([N+](=O)[O-])c1 ZINC000451810118 231200733 /nfs/dbraw/zinc/20/07/33/231200733.db2.gz OBVMFGJIXDBWQX-AWEZNQCLSA-N 0 3 310.350 1.997 20 5 DDBDHN CCC(CC)Nc1ccncc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000563634252 303967516 /nfs/dbraw/zinc/96/75/16/303967516.db2.gz CWHUXQOJBGSMQG-UHFFFAOYSA-N 0 3 318.337 1.988 20 5 DDBDHN CN1C[C@@H]2CCCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000425060995 529821697 /nfs/dbraw/zinc/82/16/97/529821697.db2.gz XEULJONHWSURBR-WCQYABFASA-N 0 3 321.381 1.079 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000286853069 219196208 /nfs/dbraw/zinc/19/62/08/219196208.db2.gz BHLXKWIXKPRLRF-JTQLQIEISA-N 0 3 306.366 1.849 20 5 DDBDHN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000272659566 210065587 /nfs/dbraw/zinc/06/55/87/210065587.db2.gz BRSGBXCBIVDJNX-LBPRGKRZSA-N 0 3 319.361 1.740 20 5 DDBDHN CC[C@@]1(NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCOC1 ZINC000616865656 362853981 /nfs/dbraw/zinc/85/39/81/362853981.db2.gz ZYCRCCXTQFHSNZ-OAHLLOKOSA-N 0 3 323.349 1.701 20 5 DDBDHN COc1ccc(CNC(=O)N[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000286995145 219260081 /nfs/dbraw/zinc/26/00/81/219260081.db2.gz BVVOHEOBDYYLOI-JTQLQIEISA-N 0 3 310.354 1.353 20 5 DDBDHN C[C@@H](NCCCNS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000173304707 186174524 /nfs/dbraw/zinc/17/45/24/186174524.db2.gz OCKZTISKBCXNMI-SNVBAGLBSA-N 0 3 301.368 1.185 20 5 DDBDHN C[C@@H]1NCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000262843958 186311931 /nfs/dbraw/zinc/31/19/31/186311931.db2.gz YBCAWQWSRYSDHL-RYUDHWBXSA-N 0 3 306.366 1.606 20 5 DDBDHN COCCCN(C)CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601235249 358458502 /nfs/dbraw/zinc/45/85/02/358458502.db2.gz NESCJRFERVPUFK-UHFFFAOYSA-N 0 3 313.329 1.432 20 5 DDBDHN C[C@H](c1cccc(O)c1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072630226 191206143 /nfs/dbraw/zinc/20/61/43/191206143.db2.gz QFZOFCAXHORIPK-ABAIWWIYSA-N 0 3 320.349 1.551 20 5 DDBDHN C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000052641423 352621217 /nfs/dbraw/zinc/62/12/17/352621217.db2.gz BXRHUFDQAYFTSS-CYBMUJFWSA-N 0 3 320.393 1.997 20 5 DDBDHN CN(C)C/C=C\C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000491861390 234317803 /nfs/dbraw/zinc/31/78/03/234317803.db2.gz AMLVKVMXTDCNHG-VSQXVHSFSA-N 0 3 319.365 1.120 20 5 DDBDHN Cc1cc(NC[C@H](C(C)C)N2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000073000320 353231358 /nfs/dbraw/zinc/23/13/58/353231358.db2.gz JIBQCRMLVQKSCB-CQSZACIVSA-N 0 3 321.425 1.982 20 5 DDBDHN CN(CCCN1CCN(C)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000174722407 198375475 /nfs/dbraw/zinc/37/54/75/198375475.db2.gz PRLUPIFBUWKXOX-UHFFFAOYSA-N 0 3 306.410 1.664 20 5 DDBDHN Cc1nn(C)c(NC2CCN(CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000079884813 353580654 /nfs/dbraw/zinc/58/06/54/353580654.db2.gz YVKMGJKJPZEDMB-UHFFFAOYSA-N 0 3 310.402 1.075 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(CC2CC2)C1 ZINC000108299434 353949641 /nfs/dbraw/zinc/94/96/41/353949641.db2.gz IZGNSAOMMZAHLV-AWEZNQCLSA-N 0 3 303.362 1.738 20 5 DDBDHN CC[C@@H](CO)N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093739809 353904485 /nfs/dbraw/zinc/90/44/85/353904485.db2.gz GHIUXUQVNRVYPE-YERXGYGTSA-N 0 3 319.405 1.997 20 5 DDBDHN COC[C@@H](C)OC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1C ZINC000319763481 354523302 /nfs/dbraw/zinc/52/33/02/354523302.db2.gz QJOPVSBWLQNYOX-RISCZKNCSA-N 0 3 312.366 1.405 20 5 DDBDHN C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000588683516 354928219 /nfs/dbraw/zinc/92/82/19/354928219.db2.gz KTJAEZAPSSJIGT-GWCFXTLKSA-N 0 3 317.349 1.739 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@]1(C)CCO[C@H]1C ZINC000494252580 235012291 /nfs/dbraw/zinc/01/22/91/235012291.db2.gz ZBGIULMSGHNTNZ-NHYWBVRUSA-N 0 3 307.350 1.999 20 5 DDBDHN CN(C(=O)CN1CC[C@H]2CN(C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000590012327 355040726 /nfs/dbraw/zinc/04/07/26/355040726.db2.gz QWZXLAMFDMQCFV-WFASDCNBSA-N 0 3 318.377 1.194 20 5 DDBDHN C[C@H](C(=O)N1CC[C@@H]2CN(C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000590045685 355043448 /nfs/dbraw/zinc/04/34/48/355043448.db2.gz SVRKMGJNYXVODN-RWSFTLGLSA-N 0 3 321.352 2.000 20 5 DDBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000590589572 355122471 /nfs/dbraw/zinc/12/24/71/355122471.db2.gz PFNTTWIFGWSBMV-MFKMUULPSA-N 0 3 313.379 1.308 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000590442263 355096350 /nfs/dbraw/zinc/09/63/50/355096350.db2.gz FCGFGKYRIZNOIE-CABZTGNLSA-N 0 3 319.317 1.100 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590443440 355097180 /nfs/dbraw/zinc/09/71/80/355097180.db2.gz IRCCTHOBQYUGRL-SMDDNHRTSA-N 0 3 305.334 1.136 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000590446620 355099676 /nfs/dbraw/zinc/09/96/76/355099676.db2.gz TYJAIVXHGVBAHF-HZMBPMFUSA-N 0 3 314.345 1.852 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000590446351 355099797 /nfs/dbraw/zinc/09/97/97/355099797.db2.gz UTPAZNMRFOSNOL-FZMZJTMJSA-N 0 3 321.402 1.849 20 5 DDBDHN CCC1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)COC1 ZINC000590661318 355139627 /nfs/dbraw/zinc/13/96/27/355139627.db2.gz JJDSSLFSSVQBPA-UHFFFAOYSA-N 0 3 308.334 1.882 20 5 DDBDHN Cn1c(C(=O)N2CCc3ccccc3[C@@H]2CN)ccc1[N+](=O)[O-] ZINC000592566943 355631188 /nfs/dbraw/zinc/63/11/88/355631188.db2.gz FHTFARRMGOGJOJ-AWEZNQCLSA-N 0 3 314.345 1.632 20 5 DDBDHN CCCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000592831323 355707317 /nfs/dbraw/zinc/70/73/17/355707317.db2.gz KSRDFPWAWNACLA-ZDUSSCGKSA-N 0 3 320.393 1.949 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)n1 ZINC000594198978 356138052 /nfs/dbraw/zinc/13/80/52/356138052.db2.gz WXAPPBXZEBOZSJ-QWRGUYRKSA-N 0 3 307.354 1.075 20 5 DDBDHN CCN1CCN([C@@H]2CCN(Cc3onc(C)c3[N+](=O)[O-])C2)CC1 ZINC000595315302 356446991 /nfs/dbraw/zinc/44/69/91/356446991.db2.gz ZYQJMFIVSKJVLR-CYBMUJFWSA-N 0 3 323.397 1.103 20 5 DDBDHN C[C@H](N[C@H]1C[C@@H](O)C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595779212 356648899 /nfs/dbraw/zinc/64/88/99/356648899.db2.gz APXJTVPARBEPQN-LEWSCRJBSA-N 0 3 319.361 1.815 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC2(COC2)C1 ZINC000595835712 356671485 /nfs/dbraw/zinc/67/14/85/356671485.db2.gz XBKCYAWIPLJJGY-LBPRGKRZSA-N 0 3 308.334 1.057 20 5 DDBDHN CCN1CCC(N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596072203 356762091 /nfs/dbraw/zinc/76/20/91/356762091.db2.gz ZMONLFBLBOPYMF-UHFFFAOYSA-N 0 3 306.366 1.614 20 5 DDBDHN CCN1CCN(CCNc2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000596073591 356762515 /nfs/dbraw/zinc/76/25/15/356762515.db2.gz NGYBTXHIFJEYMA-UHFFFAOYSA-N 0 3 322.409 1.961 20 5 DDBDHN Cc1nn(C)c(N2CCC(N3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000596269341 356838732 /nfs/dbraw/zinc/83/87/32/356838732.db2.gz RPHUZBGNFIWJCZ-UHFFFAOYSA-N 0 3 323.397 1.328 20 5 DDBDHN COc1cc(OCC(=O)N2C[C@@H](C)NC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000237225976 202195543 /nfs/dbraw/zinc/19/55/43/202195543.db2.gz JHRVOPLUIPHMGD-MNOVXSKESA-N 0 3 323.349 1.191 20 5 DDBDHN CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000597946004 357393680 /nfs/dbraw/zinc/39/36/80/357393680.db2.gz MKQIXAHPBPAMNO-JTQLQIEISA-N 0 3 309.370 1.608 20 5 DDBDHN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000597946004 357393684 /nfs/dbraw/zinc/39/36/84/357393684.db2.gz MKQIXAHPBPAMNO-JTQLQIEISA-N 0 3 309.370 1.608 20 5 DDBDHN CCCN1CC[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000598342334 357545600 /nfs/dbraw/zinc/54/56/00/357545600.db2.gz MDOCILWLKDQCNA-NSHDSACASA-N 0 3 309.370 1.127 20 5 DDBDHN CCCN1CC[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000598342782 357545930 /nfs/dbraw/zinc/54/59/30/357545930.db2.gz QDEVTLBGHGNAMX-NSHDSACASA-N 0 3 321.333 1.538 20 5 DDBDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000599625487 357996807 /nfs/dbraw/zinc/99/68/07/357996807.db2.gz MHESYJLWLJYMTL-JBBSTSQOSA-N 0 3 321.377 1.959 20 5 DDBDHN Cn1cc(CN2CC[C@@](C)(O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180184296 199127401 /nfs/dbraw/zinc/12/74/01/199127401.db2.gz KGXZNPNSUZEACJ-MRXNPFEDSA-N 0 3 316.361 1.952 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000600473145 358234664 /nfs/dbraw/zinc/23/46/64/358234664.db2.gz RXWLVDIBCCQWHH-GFCCVEGCSA-N 0 3 306.366 1.680 20 5 DDBDHN CN(CCN1CCCC1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601113429 358407686 /nfs/dbraw/zinc/40/76/86/358407686.db2.gz GDZIWBVAEPRQRW-UHFFFAOYSA-N 0 3 321.303 1.879 20 5 DDBDHN C[C@@H]1CN(CCO)CCN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601172728 358432314 /nfs/dbraw/zinc/43/23/14/358432314.db2.gz HOACFGCBXCGJGP-GFCCVEGCSA-N 0 3 316.361 1.646 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000602795884 359197405 /nfs/dbraw/zinc/19/74/05/359197405.db2.gz BYAGAKDJUMSECD-OLZOCXBDSA-N 0 3 321.381 1.090 20 5 DDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000602821805 359215914 /nfs/dbraw/zinc/21/59/14/359215914.db2.gz ACWYRPRIPKJFLL-IAGOWNOFSA-N 0 3 322.405 1.981 20 5 DDBDHN C[C@]1(CO)C[C@H](O)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000602899318 359281165 /nfs/dbraw/zinc/28/11/65/359281165.db2.gz PNCNHHNHGNOMIP-DZGCQCFKSA-N 0 3 310.350 1.181 20 5 DDBDHN CCO[C@@H]1C[C@](N)(C(=O)NCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000186736507 200000634 /nfs/dbraw/zinc/00/06/34/200000634.db2.gz SBUYMKNSCYIPBS-CJNGLKHVSA-N 0 3 321.377 1.744 20 5 DDBDHN O=[N+]([O-])c1ncccc1N1CCN(CC2CCOCC2)CC1 ZINC000609894320 360362391 /nfs/dbraw/zinc/36/23/91/360362391.db2.gz LZTWUHJWUYLBGE-UHFFFAOYSA-N 0 3 306.366 1.538 20 5 DDBDHN O=C(CCN1CCc2cn[nH]c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000611008633 360599486 /nfs/dbraw/zinc/59/94/86/360599486.db2.gz FFDSUVXDHAPYAL-UHFFFAOYSA-N 0 3 315.333 1.705 20 5 DDBDHN Cc1cc(NCCc2nnnn2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000611931079 360861915 /nfs/dbraw/zinc/86/19/15/360861915.db2.gz PUYUFMJDKYSGFM-UHFFFAOYSA-N 0 3 313.321 1.051 20 5 DDBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000619578935 364070939 /nfs/dbraw/zinc/07/09/39/364070939.db2.gz UZDOEUORQHKZIL-LBPRGKRZSA-N 0 3 306.366 1.855 20 5 DDBDHN Cc1cc(C(=O)N2CCC[C@](O)(CN(C)C)C2)cc([N+](=O)[O-])c1 ZINC000619574287 364067206 /nfs/dbraw/zinc/06/72/06/364067206.db2.gz NSPSMQIVEXZDNE-INIZCTEOSA-N 0 3 321.377 1.432 20 5 DDBDHN O=C(CCOC1CNC1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000349010271 283803364 /nfs/dbraw/zinc/80/33/64/283803364.db2.gz XSRUJVZVDPXPNG-UHFFFAOYSA-N 0 3 321.377 1.412 20 5 DDBDHN C[C@H](NC(=O)C[C@@H]1CSCCN1)c1cccc([N+](=O)[O-])c1 ZINC000091135438 193001514 /nfs/dbraw/zinc/00/15/14/193001514.db2.gz KDNRZEQWCOKVOO-CMPLNLGQSA-N 0 3 309.391 1.867 20 5 DDBDHN Cc1n[nH]c(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288473198 220164888 /nfs/dbraw/zinc/16/48/88/220164888.db2.gz QNIACTBUTYEIDS-KOLCDFICSA-N 0 3 307.354 1.325 20 5 DDBDHN Cc1cc(N2CCN(C[C@@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC000267399842 206037950 /nfs/dbraw/zinc/03/79/50/206037950.db2.gz PFDVZCVVPJWSKW-ZDUSSCGKSA-N 0 3 306.366 1.457 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCNCC2)c(Cl)c1 ZINC000021787935 182289074 /nfs/dbraw/zinc/28/90/74/182289074.db2.gz WTKGMVGRCRQXFF-UHFFFAOYSA-N 0 3 319.770 1.232 20 5 DDBDHN COCCN1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000267998223 206385094 /nfs/dbraw/zinc/38/50/94/206385094.db2.gz ULCWXUVLZJZGPS-CQSZACIVSA-N 0 3 321.377 1.364 20 5 DDBDHN COCCN(CCN(C)C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000267962672 206361723 /nfs/dbraw/zinc/36/17/23/206361723.db2.gz DERCQPMXSKUHEP-UHFFFAOYSA-N 0 3 323.393 1.564 20 5 DDBDHN CC(C)[C@@H](CCO)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274072484 211330043 /nfs/dbraw/zinc/33/00/43/211330043.db2.gz RMMPREQZRSSLOF-VXGBXAGGSA-N 0 3 309.366 1.918 20 5 DDBDHN Cn1nccc1CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000338546992 250025571 /nfs/dbraw/zinc/02/55/71/250025571.db2.gz PXUKNRUXCKGBFZ-GFCCVEGCSA-N 0 3 316.365 1.452 20 5 DDBDHN COCCOC[C@@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000294887106 533109587 /nfs/dbraw/zinc/10/95/87/533109587.db2.gz CQZMAJFVUMBAGI-JSGCOSHPSA-N 0 3 312.366 1.578 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425069416 533134653 /nfs/dbraw/zinc/13/46/53/533134653.db2.gz VBVIGHCVOGLDOP-SMDDNHRTSA-N 0 3 319.361 1.770 20 5 DDBDHN COc1ccc(CNC2(CO)CCSCC2)cc1[N+](=O)[O-] ZINC000459741203 533658818 /nfs/dbraw/zinc/65/88/18/533658818.db2.gz ZRRKALFYABHCTL-UHFFFAOYSA-N 0 3 312.391 1.951 20 5 DDBDHN CSc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000570322838 304406670 /nfs/dbraw/zinc/40/66/70/304406670.db2.gz NZFWHNWDVSWCBZ-GFCCVEGCSA-N 0 3 323.378 1.059 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCOCC3CC3)C2)nc1 ZINC000072665241 406884439 /nfs/dbraw/zinc/88/44/39/406884439.db2.gz IJPCRYODZKALBM-ZDUSSCGKSA-N 0 3 306.366 1.903 20 5 DDBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000073990392 406898615 /nfs/dbraw/zinc/89/86/15/406898615.db2.gz WJWHLVXSVZEPID-DZGCQCFKSA-N 0 3 303.362 1.832 20 5 DDBDHN CS(=O)(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000037562733 406990875 /nfs/dbraw/zinc/99/08/75/406990875.db2.gz QUNMVMCBUUKPLV-UHFFFAOYSA-N 0 3 319.408 1.170 20 5 DDBDHN C[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000053711845 407172780 /nfs/dbraw/zinc/17/27/80/407172780.db2.gz OYFBZIKLQCCKSJ-AOOOYVTPSA-N 0 3 313.379 1.185 20 5 DDBDHN C[C@@H](CN1CCCCC1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102331058 407321462 /nfs/dbraw/zinc/32/14/62/407321462.db2.gz WIBHGJOUXMEMTK-LBPRGKRZSA-N 0 3 323.397 1.517 20 5 DDBDHN C[C@@H]1C[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000124497306 407360353 /nfs/dbraw/zinc/36/03/53/407360353.db2.gz ANOYWGXQRWWUGK-TZMCWYRMSA-N 0 3 321.377 1.915 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1N(C)C ZINC000271019432 407473025 /nfs/dbraw/zinc/47/30/25/407473025.db2.gz HTLVLBULCOQFDK-PSASIEDQSA-N 0 3 315.420 1.774 20 5 DDBDHN O=C(NC[C@H](O)CN1CCCCC1)c1csc([N+](=O)[O-])c1 ZINC000178506832 407476673 /nfs/dbraw/zinc/47/66/73/407476673.db2.gz JJFATZOQXNQTIM-NSHDSACASA-N 0 3 313.379 1.233 20 5 DDBDHN CN1CCC(O)(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265805795 407462581 /nfs/dbraw/zinc/46/25/81/407462581.db2.gz RHAVFVLERUELFS-UHFFFAOYSA-N 0 3 308.338 1.173 20 5 DDBDHN CC(C)(O)CN1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000171149270 407612218 /nfs/dbraw/zinc/61/22/18/407612218.db2.gz QRZFVZYGFBOHEL-UHFFFAOYSA-N 0 3 323.393 1.362 20 5 DDBDHN Cc1nn(C)c(C(=O)N(C)CC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000171561728 407703879 /nfs/dbraw/zinc/70/38/79/407703879.db2.gz FXVDKXURQVIXKB-UHFFFAOYSA-N 0 3 309.370 1.051 20 5 DDBDHN COCCNCCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000234669121 407713203 /nfs/dbraw/zinc/71/32/03/407713203.db2.gz AQHZNPGVDCMPRP-UHFFFAOYSA-N 0 3 308.260 1.657 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CCC[C@@H]2CN2CCCC2)c1[N+](=O)[O-] ZINC000171665965 407735629 /nfs/dbraw/zinc/73/56/29/407735629.db2.gz ARXZETMKNIRIDY-LLVKDONJSA-N 0 3 321.381 1.581 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CCC[C@@H]2CN2CCCC2)c1[N+](=O)[O-] ZINC000171665965 407735636 /nfs/dbraw/zinc/73/56/36/407735636.db2.gz ARXZETMKNIRIDY-LLVKDONJSA-N 0 3 321.381 1.581 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[NH2+]2)s1 ZINC000237970554 407860937 /nfs/dbraw/zinc/86/09/37/407860937.db2.gz GAHSJVMQUJEASD-MRVPVSSYSA-N 0 3 305.381 1.077 20 5 DDBDHN CC[C@H](C)[C@@H](N)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000262700277 407905537 /nfs/dbraw/zinc/90/55/37/407905537.db2.gz HKXHRHCSKSTUEC-COPLHBTASA-N 0 3 321.381 1.376 20 5 DDBDHN Cc1nc(N2CCN(C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000268458892 408053772 /nfs/dbraw/zinc/05/37/72/408053772.db2.gz HHYYZGPELYVOJU-ZDUSSCGKSA-N 0 3 306.366 1.457 20 5 DDBDHN COC(=O)[C@H](O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000135376818 408010304 /nfs/dbraw/zinc/01/03/04/408010304.db2.gz HSFAVAOFCCOQQI-OAHLLOKOSA-N 0 3 322.361 1.383 20 5 DDBDHN C[C@H]1CN(CC(C)(C)O)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000189431051 408014069 /nfs/dbraw/zinc/01/40/69/408014069.db2.gz HBKFPJNVPUCTFB-AWEZNQCLSA-N 0 3 321.421 1.914 20 5 DDBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000182259747 408111008 /nfs/dbraw/zinc/11/10/08/408111008.db2.gz RLDNYIMREMTOMM-VXGBXAGGSA-N 0 3 312.391 1.772 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000121206046 408161700 /nfs/dbraw/zinc/16/17/00/408161700.db2.gz LMOXTLVGWZTGPC-IINYFYTJSA-N 0 3 306.366 1.710 20 5 DDBDHN CCOCCN(CC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273346901 408164021 /nfs/dbraw/zinc/16/40/21/408164021.db2.gz OROZCSRQEZFXAE-ZDUSSCGKSA-N 0 3 312.366 1.693 20 5 DDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1ccc([N+](=O)[O-])cn1 ZINC000263761504 408243632 /nfs/dbraw/zinc/24/36/32/408243632.db2.gz USLDQLRHTSYWEL-ZDUSSCGKSA-N 0 3 321.381 1.344 20 5 DDBDHN CCc1n[nH]c(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000263666838 408197619 /nfs/dbraw/zinc/19/76/19/408197619.db2.gz LCJKLHUCUXTDBR-WDEREUQCSA-N 0 3 323.397 1.731 20 5 DDBDHN CSCCN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000151155775 408265390 /nfs/dbraw/zinc/26/53/90/408265390.db2.gz VGJZMZOSDGGPAH-GFCCVEGCSA-N 0 3 300.380 1.629 20 5 DDBDHN COc1ccc(OCCN2CC[C@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000190401685 408236223 /nfs/dbraw/zinc/23/62/23/408236223.db2.gz SKIBTXCYIIUYPB-SMDDNHRTSA-N 0 3 310.350 1.685 20 5 DDBDHN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCO1 ZINC000183113583 408329329 /nfs/dbraw/zinc/32/93/29/408329329.db2.gz MHZLWDOYAXSHNR-ABAIWWIYSA-N 0 3 319.361 1.641 20 5 DDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]1CN1CCCCC1 ZINC000263897412 408305027 /nfs/dbraw/zinc/30/50/27/408305027.db2.gz BHORYFKNRWYQGY-CYBMUJFWSA-N 0 3 321.381 1.268 20 5 DDBDHN C[C@@H](CN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000264387793 408471064 /nfs/dbraw/zinc/47/10/64/408471064.db2.gz JZGVFCYTJFYWDT-JTQLQIEISA-N 0 3 320.353 1.179 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000177133867 408532628 /nfs/dbraw/zinc/53/26/28/408532628.db2.gz FNIMYLZJIQDGDJ-NEPJUHHUSA-N 0 3 319.361 1.715 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000192777565 408647308 /nfs/dbraw/zinc/64/73/08/408647308.db2.gz JEGQJXVINRUCSG-NSHDSACASA-N 0 3 306.366 1.902 20 5 DDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000177797062 408714945 /nfs/dbraw/zinc/71/49/45/408714945.db2.gz HUIRMFBMVDMKAH-OLZOCXBDSA-N 0 3 321.381 1.267 20 5 DDBDHN C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000249542584 408738392 /nfs/dbraw/zinc/73/83/92/408738392.db2.gz FJBBQDJVHUNRMA-SMDDNHRTSA-N 0 3 307.350 1.626 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](O)[C@@H](C)C1 ZINC000249536713 408739173 /nfs/dbraw/zinc/73/91/73/408739173.db2.gz CQJOBKLCANJOJP-SWLSCSKDSA-N 0 3 321.377 1.935 20 5 DDBDHN CCN1CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265553100 408691185 /nfs/dbraw/zinc/69/11/85/408691185.db2.gz YYVYQUGVPDQCMG-CYBMUJFWSA-N 0 3 320.393 1.949 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000250243000 408777019 /nfs/dbraw/zinc/77/70/19/408777019.db2.gz UJBDVVJBXVMRNI-VXGBXAGGSA-N 0 3 323.397 1.336 20 5 DDBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CCN(C2CCC2)C1 ZINC000291621532 408896782 /nfs/dbraw/zinc/89/67/82/408896782.db2.gz ATSSNMXPUGGIIT-SNVBAGLBSA-N 0 3 306.370 1.278 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCCN1CCN(CC)CC1 ZINC000192494599 163225285 /nfs/dbraw/zinc/22/52/85/163225285.db2.gz CLSRSLYIHXHYLV-UHFFFAOYSA-N 0 3 324.429 1.559 20 5 DDBDHN C[C@H]1COCC[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000277496511 408952092 /nfs/dbraw/zinc/95/20/92/408952092.db2.gz PDOQQJNLQUSEAL-FZMZJTMJSA-N 0 3 319.361 1.499 20 5 DDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCCN1C1CC1 ZINC000277570284 408968093 /nfs/dbraw/zinc/96/80/93/408968093.db2.gz ZTERFYPKXJKZHP-NSHDSACASA-N 0 3 319.365 1.518 20 5 DDBDHN CN1CC[C@]2(CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292126284 408985660 /nfs/dbraw/zinc/98/56/60/408985660.db2.gz GXCNGAITXYUACP-INIZCTEOSA-N 0 3 303.362 1.692 20 5 DDBDHN CCNC(=O)[C@@H](NCCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000293413079 409108667 /nfs/dbraw/zinc/10/86/67/409108667.db2.gz ZDERHUBTLIBXCJ-AWEZNQCLSA-N 0 3 309.366 1.724 20 5 DDBDHN CCOc1ccc(C(=O)N2CCN[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262782436 163877859 /nfs/dbraw/zinc/87/78/59/163877859.db2.gz LSRKCOPXCLNIDQ-MNOVXSKESA-N 0 3 307.350 1.816 20 5 DDBDHN C[C@@H](CO)N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CCC1 ZINC000280606610 409377599 /nfs/dbraw/zinc/37/75/99/409377599.db2.gz VOJRYVKWANPIQF-NSHDSACASA-N 0 3 321.377 1.677 20 5 DDBDHN NC(=O)c1ccnc(NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000290562714 409445738 /nfs/dbraw/zinc/44/57/38/409445738.db2.gz SALZQRZFVBHJBM-UHFFFAOYSA-N 0 3 307.354 1.377 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000347020518 164098377 /nfs/dbraw/zinc/09/83/77/164098377.db2.gz YFTMKMDPPYOKSK-ZDUSSCGKSA-N 0 3 321.381 1.185 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(CO)CC1 ZINC000303113374 409536423 /nfs/dbraw/zinc/53/64/23/409536423.db2.gz OZUMEPAHFFLZLK-UHFFFAOYSA-N 0 3 321.377 1.936 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000342452887 409640905 /nfs/dbraw/zinc/64/09/05/409640905.db2.gz QPLOYVQMBSLFLY-YPMHNXCESA-N 0 3 319.361 1.573 20 5 DDBDHN COc1c(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331591927 409672707 /nfs/dbraw/zinc/67/27/07/409672707.db2.gz XZBUEQYHXSLZJN-QWRGUYRKSA-N 0 3 319.361 1.958 20 5 DDBDHN O=C1CCCN1CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331686636 409766907 /nfs/dbraw/zinc/76/69/07/409766907.db2.gz VIPYPDAYTQTBJW-UHFFFAOYSA-N 0 3 307.354 1.051 20 5 DDBDHN Cn1c(C(=O)NC[C@H]2CCCCN2C2CC2)ccc1[N+](=O)[O-] ZINC000347319729 410467602 /nfs/dbraw/zinc/46/76/02/410467602.db2.gz OKCOCRYHROZTGE-GFCCVEGCSA-N 0 3 306.366 1.680 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC2CC2)CC1 ZINC000301064364 410649425 /nfs/dbraw/zinc/64/94/25/410649425.db2.gz AUYYOFJXGLHHKK-UHFFFAOYSA-N 0 3 318.377 1.486 20 5 DDBDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)CN1C ZINC000337310861 410708920 /nfs/dbraw/zinc/70/89/20/410708920.db2.gz BOQVATCONKFUIF-CHWSQXEVSA-N 0 3 320.393 1.948 20 5 DDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N1CCC[C@@H](C)C1 ZINC000330586045 410802450 /nfs/dbraw/zinc/80/24/50/410802450.db2.gz SIRJJKNKNLOYKY-VXGBXAGGSA-N 0 3 308.382 1.784 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N(CCN(C)C)C2CC2)c1[N+](=O)[O-] ZINC000356293084 410948958 /nfs/dbraw/zinc/94/89/58/410948958.db2.gz HFAWHDGEQMWZHL-UHFFFAOYSA-N 0 3 309.370 1.608 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N(CCN(C)C)C2CC2)c1[N+](=O)[O-] ZINC000356293084 410948961 /nfs/dbraw/zinc/94/89/61/410948961.db2.gz HFAWHDGEQMWZHL-UHFFFAOYSA-N 0 3 309.370 1.608 20 5 DDBDHN CN(CCCN(C)Cc1c([N+](=O)[O-])ncn1C)Cc1ccco1 ZINC000353544636 411056241 /nfs/dbraw/zinc/05/62/41/411056241.db2.gz PEOXFAKORLHATL-UHFFFAOYSA-N 0 3 321.381 1.875 20 5 DDBDHN Cc1cc(OCC(=O)N[C@@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000331201529 411015400 /nfs/dbraw/zinc/01/54/00/411015400.db2.gz QJKPRYYDDORZGF-CHWSQXEVSA-N 0 3 321.377 1.881 20 5 DDBDHN CNc1nccc(C(=O)N(C)C[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000519180178 416896923 /nfs/dbraw/zinc/89/69/23/416896923.db2.gz KNASUCLAZKLQPH-SNVBAGLBSA-N 0 3 307.354 1.198 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](c3ccco3)C2)c1 ZINC000374139251 418494156 /nfs/dbraw/zinc/49/41/56/418494156.db2.gz ABKDLWAHKNDYTF-WCQYABFASA-N 0 3 306.322 1.235 20 5 DDBDHN C[C@@H]1COCCN1CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000374173166 418501259 /nfs/dbraw/zinc/50/12/59/418501259.db2.gz HETUWDNFOSHJLS-CYBMUJFWSA-N 0 3 323.397 1.149 20 5 DDBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])nn1C)C1CCCCC1 ZINC000360804509 418522654 /nfs/dbraw/zinc/52/26/54/418522654.db2.gz WUEXWAROSZKBBU-UHFFFAOYSA-N 0 3 323.397 1.665 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C[C@H]21 ZINC000374821241 418566878 /nfs/dbraw/zinc/56/68/78/418566878.db2.gz DYRXLKABHMWOTP-YMTOWFKASA-N 0 3 322.340 1.482 20 5 DDBDHN CNc1c(C(=O)N[C@@H]2CCCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000360931169 418549730 /nfs/dbraw/zinc/54/97/30/418549730.db2.gz MHWBMPPJSHRXCT-CMPLNLGQSA-N 0 3 306.366 1.849 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)n1 ZINC000191772475 222109025 /nfs/dbraw/zinc/10/90/25/222109025.db2.gz QSCYALNLGWISIQ-RYUDHWBXSA-N 0 3 323.397 1.661 20 5 DDBDHN Cc1ccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000367461257 418601087 /nfs/dbraw/zinc/60/10/87/418601087.db2.gz UBWYAPNUYYCMIM-DOTOQJQBSA-N 0 3 319.405 1.934 20 5 DDBDHN CN(CCc1ccccc1[N+](=O)[O-])CCN1CCCOCC1 ZINC000361379595 418640871 /nfs/dbraw/zinc/64/08/71/418640871.db2.gz VRVOCTBPUOQFMT-UHFFFAOYSA-N 0 3 307.394 1.791 20 5 DDBDHN CO[C@@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000361385456 418641613 /nfs/dbraw/zinc/64/16/13/418641613.db2.gz QCEJCVUXWNBXSE-GFCCVEGCSA-N 0 3 321.333 1.614 20 5 DDBDHN CNc1c(C(=O)NC[C@@H](C)N2CCCC2)cccc1[N+](=O)[O-] ZINC000387757882 418744577 /nfs/dbraw/zinc/74/45/77/418744577.db2.gz FALUGZNETGBXEO-LLVKDONJSA-N 0 3 306.366 1.851 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCN(C)C(=O)C1 ZINC000424194388 228244533 /nfs/dbraw/zinc/24/45/33/228244533.db2.gz WKEIBTWLVRABCR-GFCCVEGCSA-N 0 3 321.377 1.952 20 5 DDBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000420975361 419397711 /nfs/dbraw/zinc/39/77/11/419397711.db2.gz QMFJVIDPGRGLCJ-UHFFFAOYSA-N 0 3 313.379 1.215 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C[C@@H]1CCCN1C ZINC000420998105 419435250 /nfs/dbraw/zinc/43/52/50/419435250.db2.gz HWFKNEPOUXGRKW-ZDUSSCGKSA-N 0 3 320.393 1.868 20 5 DDBDHN Cc1nn(CCC(=O)N(C)C[C@H]2CCCN2C)c(C)c1[N+](=O)[O-] ZINC000421705516 419685880 /nfs/dbraw/zinc/68/58/80/419685880.db2.gz RMSZUXAVNIRYFN-CYBMUJFWSA-N 0 3 323.397 1.351 20 5 DDBDHN COC(=O)[C@@H]1CSCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000412092349 419648661 /nfs/dbraw/zinc/64/86/61/419648661.db2.gz ZISQZDVNKYPDQU-ZDUSSCGKSA-N 0 3 324.402 1.975 20 5 DDBDHN N[C@@H](CC(F)F)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423842751 420221137 /nfs/dbraw/zinc/22/11/37/420221137.db2.gz KGQNSSSRZSQDCI-VIFPVBQESA-N 0 3 307.684 1.847 20 5 DDBDHN C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H](N)c1ccccc1 ZINC000423891751 420248050 /nfs/dbraw/zinc/24/80/50/420248050.db2.gz BUURMTVJKPAEPY-BXUZGUMPSA-N 0 3 317.349 1.244 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000444697968 230122963 /nfs/dbraw/zinc/12/29/63/230122963.db2.gz RIFCAGAKKRDMMC-GXSJLCMTSA-N 0 3 322.287 1.427 20 5 DDBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CNCCC1(F)F ZINC000493094680 420756826 /nfs/dbraw/zinc/75/68/26/420756826.db2.gz RPVDIBMVBBLNKP-MJRJWQSSSA-N 0 3 311.288 1.721 20 5 DDBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CNCCC1(F)F ZINC000449661177 421051355 /nfs/dbraw/zinc/05/13/55/421051355.db2.gz ZHPQAGYIYLNNJM-LLVKDONJSA-N 0 3 315.276 1.087 20 5 DDBDHN CNc1nc(C(=O)N2CCC[C@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000455363570 421002875 /nfs/dbraw/zinc/00/28/75/421002875.db2.gz XRYUYDSKNOCAPD-JTQLQIEISA-N 0 3 307.354 1.198 20 5 DDBDHN CC(COC(=O)[C@@H](C)NC(=O)OCc1ccccc1)[N+](=O)[O-] ZINC000495904103 421088247 /nfs/dbraw/zinc/08/82/47/421088247.db2.gz NWYJQRLCSHGKRI-WDEREUQCSA-N 0 3 310.306 1.510 20 5 DDBDHN COc1cc(CN[C@@H]2CC[C@H](C(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000449746639 421072616 /nfs/dbraw/zinc/07/26/16/421072616.db2.gz SOHCHTSENMQBEM-GXSJLCMTSA-N 0 3 323.349 1.356 20 5 DDBDHN CNc1nccc(C(=O)N[C@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000563706205 421536977 /nfs/dbraw/zinc/53/69/77/421536977.db2.gz GJZFTGZWCDMTQD-LLVKDONJSA-N 0 3 321.381 1.636 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000542778312 421829290 /nfs/dbraw/zinc/82/92/90/421829290.db2.gz KUWDZIAQYYHDGQ-HIFRSBDPSA-N 0 3 318.377 1.830 20 5 DDBDHN C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000577294239 422383904 /nfs/dbraw/zinc/38/39/04/422383904.db2.gz MGMOGRLPXSVXFO-MNOVXSKESA-N 0 3 321.381 1.565 20 5 DDBDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000597605244 422388692 /nfs/dbraw/zinc/38/86/92/422388692.db2.gz OTQWARRXCOUBTG-NSHDSACASA-N 0 3 321.381 1.588 20 5 DDBDHN CC(C)(C)N1CC[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000597922620 422392488 /nfs/dbraw/zinc/39/24/88/422392488.db2.gz JKTMMTUJDMYVLH-VIFPVBQESA-N 0 3 307.354 1.175 20 5 DDBDHN NC(=O)c1ccc(CN2CCCCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000342074447 271291211 /nfs/dbraw/zinc/29/12/11/271291211.db2.gz XEZPBTHPHPACLH-CQSZACIVSA-N 0 3 321.377 1.821 20 5 DDBDHN COC(=O)[C@](C)(O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000343997911 271928711 /nfs/dbraw/zinc/92/87/11/271928711.db2.gz YDNUFDCETJTWJP-OAHLLOKOSA-N 0 3 310.350 1.729 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000344593447 272066589 /nfs/dbraw/zinc/06/65/89/272066589.db2.gz CCUIQKISQUWMBO-LBPRGKRZSA-N 0 3 323.397 1.336 20 5 DDBDHN C[C@H](N[C@H]1COCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451815381 274530467 /nfs/dbraw/zinc/53/04/67/274530467.db2.gz ZMYBXVMIIKNOKV-GWCFXTLKSA-N 0 3 307.350 1.936 20 5 DDBDHN CCN(CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-])C1CC1 ZINC000263702448 276130073 /nfs/dbraw/zinc/13/00/73/276130073.db2.gz IXSRPAYEYLVWFF-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)N(C)C ZINC000449341205 278220689 /nfs/dbraw/zinc/22/06/89/278220689.db2.gz YEXCGOMCYSNCAA-LLVKDONJSA-N 0 3 315.395 1.007 20 5 DDBDHN C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272738699 278330129 /nfs/dbraw/zinc/33/01/29/278330129.db2.gz CLEHEUDGEADIMX-SNVBAGLBSA-N 0 3 304.350 1.557 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1ccnn1C ZINC000459719051 279382378 /nfs/dbraw/zinc/38/23/78/279382378.db2.gz RROHWKLXCMXSCC-YPMHNXCESA-N 0 3 304.350 1.583 20 5 DDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCN1CCCC1 ZINC000089898163 281027068 /nfs/dbraw/zinc/02/70/68/281027068.db2.gz PEZPFUXKDPJKAG-ZDUSSCGKSA-N 0 3 320.393 1.949 20 5 DDBDHN Cc1ccnc(NC2CCN([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000301741048 281469916 /nfs/dbraw/zinc/46/99/16/281469916.db2.gz XVNNUORZELPUMF-CYBMUJFWSA-N 0 3 306.366 1.963 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(c2cn[nH]c2)CC1 ZINC000363148891 300220433 /nfs/dbraw/zinc/22/04/33/300220433.db2.gz RWVWEZHDBNVRKL-UHFFFAOYSA-N 0 3 317.349 1.359 20 5 DDBDHN CN(C)CCN1CCCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000364188275 300355235 /nfs/dbraw/zinc/35/52/35/300355235.db2.gz FQULYQCXTPJIGS-UHFFFAOYSA-N 0 3 310.373 1.808 20 5 DDBDHN CN1CC[C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C[C@H]21 ZINC000364300809 300372330 /nfs/dbraw/zinc/37/23/30/300372330.db2.gz GURFOZRAFNSNMS-VHSXEESVSA-N 0 3 307.379 1.834 20 5 DDBDHN CN(C)CCN1CCCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000364428209 300395021 /nfs/dbraw/zinc/39/50/21/300395021.db2.gz WEBCHSXYTVQAHA-UHFFFAOYSA-N 0 3 310.373 1.808 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000368590252 301060214 /nfs/dbraw/zinc/06/02/14/301060214.db2.gz KJKJCAFWGXTFHR-IINYFYTJSA-N 0 3 307.325 1.900 20 5 DDBDHN O=[N+]([O-])c1ccccc1CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000369282391 301156193 /nfs/dbraw/zinc/15/61/93/301156193.db2.gz ZUHJQAROACAONE-HOTGVXAUSA-N 0 3 305.378 1.626 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC3(CCO3)CC2)c1 ZINC000369326428 301165425 /nfs/dbraw/zinc/16/54/25/301165425.db2.gz HMJZGLGKZFTHNN-CQSZACIVSA-N 0 3 322.361 1.589 20 5 DDBDHN CCCN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000370092584 301274476 /nfs/dbraw/zinc/27/44/76/301274476.db2.gz ZGUVTBJZNJIKIT-UHFFFAOYSA-N 0 3 306.366 1.735 20 5 DDBDHN COC(=O)c1cc(NC(=O)[C@@H]2CCCCCN2)cc([N+](=O)[O-])c1 ZINC000372492017 301581343 /nfs/dbraw/zinc/58/13/43/301581343.db2.gz QDTGCVMGOJKCTC-ZDUSSCGKSA-N 0 3 321.333 1.852 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCCC[NH2+]C1 ZINC000070120761 302049585 /nfs/dbraw/zinc/04/95/85/302049585.db2.gz IZBCTLDMPKVDTF-NSHDSACASA-N 0 3 313.379 1.324 20 5 DDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000376398157 302072383 /nfs/dbraw/zinc/07/23/83/302072383.db2.gz UTPYUGMPSWTDEK-MNOVXSKESA-N 0 3 307.354 1.027 20 5 DDBDHN O=C(Nc1cnc2c(c1)CNCC2)c1ccc([N+](=O)[O-])s1 ZINC000378394897 302320833 /nfs/dbraw/zinc/32/08/33/302320833.db2.gz ANWRBPCVKHJVPL-UHFFFAOYSA-N 0 3 304.331 1.949 20 5 DDBDHN CN(C)C1(CNc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000397813185 302356153 /nfs/dbraw/zinc/35/61/53/302356153.db2.gz ZKJBZTPSYKTKQV-UHFFFAOYSA-N 0 3 315.171 1.680 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2c2ccccn2)c1 ZINC000530963067 303222818 /nfs/dbraw/zinc/22/28/18/303222818.db2.gz BJBIZILWCHPDFY-UKRRQHHQSA-N 0 3 317.349 1.384 20 5 DDBDHN COC(=O)[C@@]12CCC[C@H]1CN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000376268387 307242062 /nfs/dbraw/zinc/24/20/62/307242062.db2.gz VKHIKEGCHHZLGN-SMDDNHRTSA-N 0 3 308.338 1.066 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)C[C@H]21 ZINC000376662928 307252467 /nfs/dbraw/zinc/25/24/67/307252467.db2.gz DANQRIJTORCLAL-GXFFZTMASA-N 0 3 307.325 1.900 20 5 DDBDHN C[C@@H]1CCN(CC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000567178776 308075119 /nfs/dbraw/zinc/07/51/19/308075119.db2.gz PSIHNVINLIDZSW-CYBMUJFWSA-N 0 3 305.378 1.938 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H](O)C1CCOCC1 ZINC000569472980 308145301 /nfs/dbraw/zinc/14/53/01/308145301.db2.gz UDUHFCWWMPBLAY-HOCLYGCPSA-N 0 3 306.362 1.959 20 5 DDBDHN O=C(CCN[C@@H](CO)CC(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000582122763 325975097 /nfs/dbraw/zinc/97/50/97/325975097.db2.gz YXZMVHUGQQZLHZ-SECBINFHSA-N 0 3 317.292 1.529 20 5 DDBDHN O=C(NC[C@@H]1CCCN1CCCO)c1csc([N+](=O)[O-])c1 ZINC000452348121 534573679 /nfs/dbraw/zinc/57/36/79/534573679.db2.gz KOINODGLXODLFB-NSHDSACASA-N 0 3 313.379 1.233 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(CC)C2)c1 ZINC000412880633 528612178 /nfs/dbraw/zinc/61/21/78/528612178.db2.gz RMMQGIFZQGCBDS-NSHDSACASA-N 0 3 307.350 1.818 20 5 DDBDHN COc1ccc(S(=O)(=O)[N-][C@@H](C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000336847711 536877793 /nfs/dbraw/zinc/87/77/93/536877793.db2.gz GBHINMNQLLIWJX-VIFPVBQESA-N 0 3 317.367 1.009 20 5 DDBDHN CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC000736537511 598352710 /nfs/dbraw/zinc/35/27/10/598352710.db2.gz VLSXCRSXXFZGMS-UHFFFAOYSA-N 0 3 319.369 1.917 20 5 DDBDHN CC[N@@H+](CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC000736537511 598352711 /nfs/dbraw/zinc/35/27/11/598352711.db2.gz VLSXCRSXXFZGMS-UHFFFAOYSA-N 0 3 319.369 1.917 20 5 DDBDHN CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)C ZINC000736537511 598352713 /nfs/dbraw/zinc/35/27/13/598352713.db2.gz VLSXCRSXXFZGMS-UHFFFAOYSA-N 0 3 319.369 1.917 20 5 DDBDHN CC[N@@H+](CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)C ZINC000736537511 598352715 /nfs/dbraw/zinc/35/27/15/598352715.db2.gz VLSXCRSXXFZGMS-UHFFFAOYSA-N 0 3 319.369 1.917 20 5 DDBDHN CN(C)C1(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCC1 ZINC000119395514 696680253 /nfs/dbraw/zinc/68/02/53/696680253.db2.gz ZWYPMFIBDJZSJE-UHFFFAOYSA-N 0 3 303.362 1.964 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)CC2CC2)C1 ZINC000982999072 697199727 /nfs/dbraw/zinc/19/97/27/697199727.db2.gz YYKKOKDOWDNUMF-HAQNSBGRSA-N 0 3 321.381 1.113 20 5 DDBDHN COc1ccc(CNC[C@H](O)c2ccc(F)cn2)cc1[N+](=O)[O-] ZINC000799612056 700153209 /nfs/dbraw/zinc/15/32/09/700153209.db2.gz GAMAEGAIQODMHE-AWEZNQCLSA-N 0 3 321.308 1.961 20 5 DDBDHN COc1ccc(CNC[C@@H](O)c2ccc(F)cn2)cc1[N+](=O)[O-] ZINC000799612057 700153368 /nfs/dbraw/zinc/15/33/68/700153368.db2.gz GAMAEGAIQODMHE-CQSZACIVSA-N 0 3 321.308 1.961 20 5 DDBDHN Cc1n[nH]c(C(=O)NC[C@H]2NCCc3ccccc32)c1[N+](=O)[O-] ZINC000262426923 698469316 /nfs/dbraw/zinc/46/93/16/698469316.db2.gz SJSYMTWMOYWBQP-GFCCVEGCSA-N 0 3 315.333 1.243 20 5 DDBDHN COc1ccc(NC(=O)[C@H](C)N[C@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000771817611 701332979 /nfs/dbraw/zinc/33/29/79/701332979.db2.gz HQVJPHLQMNBDML-TVQRCGJNSA-N 0 3 323.349 1.291 20 5 DDBDHN CC(COC(=O)CCCn1c(=O)oc2ccccc21)[N+](=O)[O-] ZINC000813101910 702291316 /nfs/dbraw/zinc/29/13/16/702291316.db2.gz LGFXRFGNQQKFLG-SNVBAGLBSA-N 0 3 308.290 1.583 20 5 DDBDHN CC(COC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1)[N+](=O)[O-] ZINC000813103757 702291878 /nfs/dbraw/zinc/29/18/78/702291878.db2.gz SKKHBNRWHPGTIX-VHSXEESVSA-N 0 3 305.294 1.110 20 5 DDBDHN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105176 702293027 /nfs/dbraw/zinc/29/30/27/702293027.db2.gz WPJNKEQWKMJPIB-MWLCHTKSSA-N 0 3 304.302 1.710 20 5 DDBDHN CC(C)C[C@@H](C(=O)OCC(C)[N+](=O)[O-])N1CCCCC1=O ZINC000813106977 702294416 /nfs/dbraw/zinc/29/44/16/702294416.db2.gz JHLFOGOASNLATI-NEPJUHHUSA-N 0 3 300.355 1.622 20 5 DDBDHN CC(COC(=O)c1cnnn1-c1ccccc1Cl)[N+](=O)[O-] ZINC000813108324 702294824 /nfs/dbraw/zinc/29/48/24/702294824.db2.gz XLWRAMGIOMFRSP-QMMMGPOBSA-N 0 3 310.697 1.743 20 5 DDBDHN CC(COC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)[N+](=O)[O-] ZINC000813108737 702295056 /nfs/dbraw/zinc/29/50/56/702295056.db2.gz AFGNUGVPJSOTNE-KOLCDFICSA-N 0 3 316.379 1.287 20 5 DDBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)[N+](=O)[O-] ZINC000813109785 702296102 /nfs/dbraw/zinc/29/61/02/702296102.db2.gz WQUPMDFXUJYGAV-NXEZZACHSA-N 0 3 310.281 1.387 20 5 DDBDHN CC(COC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000813113020 702297985 /nfs/dbraw/zinc/29/79/85/702297985.db2.gz WKAOECHMWHOBSH-QWRGUYRKSA-N 0 3 316.354 1.842 20 5 DDBDHN CC(C)[C@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000879601136 706733961 /nfs/dbraw/zinc/73/39/61/706733961.db2.gz JXZNRKNEBDPHJX-HZPDHXFCSA-N 0 3 307.394 1.900 20 5 DDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000848353160 703542249 /nfs/dbraw/zinc/54/22/49/703542249.db2.gz YIITWRMBONOIPY-OLZOCXBDSA-N 0 3 319.365 1.319 20 5 DDBDHN O=C1OCCN1[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000852432208 704044856 /nfs/dbraw/zinc/04/48/56/704044856.db2.gz JANRVEWSTGLAQR-CQSZACIVSA-N 0 3 305.334 1.664 20 5 DDBDHN CCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CCN(CC)C1 ZINC000855490880 704487543 /nfs/dbraw/zinc/48/75/43/704487543.db2.gz LGRBEUSZTVFDPO-GFCCVEGCSA-N 0 3 306.366 1.733 20 5 DDBDHN CC(C)(CCC(=O)NC1CCN([C@H]2CCOC2)CC1)[N+](=O)[O-] ZINC000856098889 704513382 /nfs/dbraw/zinc/51/33/82/704513382.db2.gz VJRATEKZVQWNOK-ZDUSSCGKSA-N 0 3 313.398 1.191 20 5 DDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000874834294 705192280 /nfs/dbraw/zinc/19/22/80/705192280.db2.gz QWBCFIGOYMITMK-KGLIPLIRSA-N 0 3 304.350 1.486 20 5 DDBDHN C[C@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000828905414 706253415 /nfs/dbraw/zinc/25/34/15/706253415.db2.gz WPIPNMOQBOVGAA-XHDPSFHLSA-N 0 3 319.361 1.395 20 5 DDBDHN Cn1nnnc1CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000878327032 706360768 /nfs/dbraw/zinc/36/07/68/706360768.db2.gz XNLCTCLJSHSADL-UHFFFAOYSA-N 0 3 302.338 1.325 20 5 DDBDHN COc1cc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c([N+](=O)[O-])cc1[O-] ZINC000865691533 706498110 /nfs/dbraw/zinc/49/81/10/706498110.db2.gz BNJKIPJPABTPAJ-AQKDURSXSA-N 0 3 320.345 1.822 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2C[C@H](O)CC3(CCOCC3)C2)cc1 ZINC000880585227 707027861 /nfs/dbraw/zinc/02/78/61/707027861.db2.gz FSFPIYXVMGDBGZ-OAHLLOKOSA-N 0 3 306.362 1.958 20 5 DDBDHN COc1c(O)ccc(CN[C@@H]2COC[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000898380075 708627620 /nfs/dbraw/zinc/62/76/20/708627620.db2.gz LHBUTHWEBUJVNZ-NWDGAFQWSA-N 0 3 308.334 1.824 20 5 DDBDHN O=[N+]([O-])c1ncccc1CN1CCN(C2CCOCC2)CC1 ZINC000886030781 708685191 /nfs/dbraw/zinc/68/51/91/708685191.db2.gz UNLFMFIFCSVULN-UHFFFAOYSA-N 0 3 306.366 1.286 20 5 DDBDHN O=C1C[C@H]([C@H]2CCCCN2Cc2cccnc2[N+](=O)[O-])CN1 ZINC000886098678 708697939 /nfs/dbraw/zinc/69/79/39/708697939.db2.gz PKHFKEMSRIYGQE-QWHCGFSZSA-N 0 3 304.350 1.480 20 5 DDBDHN COc1cc([N+](=O)[O-])cnc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000892144412 710379822 /nfs/dbraw/zinc/37/98/22/710379822.db2.gz OAHJCJKAVALSSE-ZYHUDNBSSA-N 0 3 308.338 1.274 20 5 DDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000892417912 710434127 /nfs/dbraw/zinc/43/41/27/710434127.db2.gz KGYDYGUNERFCSF-CABCVRRESA-N 0 3 318.377 1.973 20 5 DDBDHN C[C@@]1(NC(=O)COc2cccc([N+](=O)[O-])c2)CN2CCC1CC2 ZINC000892789698 710499298 /nfs/dbraw/zinc/49/92/98/710499298.db2.gz RWDCPSKCLBPYJR-MRXNPFEDSA-N 0 3 319.361 1.574 20 5 DDBDHN C[C@@]1(NC(=O)COc2ccccc2[N+](=O)[O-])CN2CCC1CC2 ZINC000892801435 710502715 /nfs/dbraw/zinc/50/27/15/710502715.db2.gz SLGKEZAVZOXHHT-MRXNPFEDSA-N 0 3 319.361 1.574 20 5 DDBDHN C[C@H]1[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCN1C ZINC000928439690 713196523 /nfs/dbraw/zinc/19/65/23/713196523.db2.gz JVQKRKDKVNHQOG-GXSJLCMTSA-N 0 3 302.334 1.899 20 5 DDBDHN Cc1nn(C)c(NC[C@@H]2CCN2C2CCOCC2)c1[N+](=O)[O-] ZINC000896515828 711736479 /nfs/dbraw/zinc/73/64/79/711736479.db2.gz KOCLAVCLDRLEAJ-LBPRGKRZSA-N 0 3 309.370 1.302 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000914290941 713371576 /nfs/dbraw/zinc/37/15/76/713371576.db2.gz FIQKQXVWVFYDJR-MFKMUULPSA-N 0 3 322.365 1.495 20 5 DDBDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1NCC[N+](=O)[O-] ZINC000930477343 713844674 /nfs/dbraw/zinc/84/46/74/713844674.db2.gz PGVIPXRROCIAPY-WOPDTQHZSA-N 0 3 301.387 1.887 20 5 DDBDHN COc1ccc(NC(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000930770131 713916057 /nfs/dbraw/zinc/91/60/57/713916057.db2.gz VUFUOCDWENYWIM-ZWNOBZJWSA-N 0 3 320.349 1.771 20 5 DDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C1CNC1 ZINC000923593894 714421766 /nfs/dbraw/zinc/42/17/66/714421766.db2.gz DNOBVSBFMUVMQB-UHFFFAOYSA-N 0 3 313.379 1.107 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@H]1[C@@H]1CCCO1 ZINC001198685211 747577054 /nfs/dbraw/zinc/57/70/54/747577054.db2.gz HZUCEWJFBCCKJK-GJZGRUSLSA-N 0 3 321.377 1.790 20 5 DDBDHN Cc1ncoc1CN1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001005383679 749937931 /nfs/dbraw/zinc/93/79/31/749937931.db2.gz VIFICQSMIXLPMT-CHWSQXEVSA-N 0 3 322.365 1.071 20 5 DDBDHN NCc1ccc2c(n1)N(c1c(F)c([N+](=O)[O-])cc[n+]1[O-])CCC2 ZINC001169583354 762543517 /nfs/dbraw/zinc/54/35/17/762543517.db2.gz DLIBNOIKBRNEDK-UHFFFAOYSA-N 0 3 319.296 1.305 20 5 DDBDHN C[C@@]1(Nc2cc3c(cc2[N+](=O)[O-])CNC3)CCS(=O)(=O)C1 ZINC001170555608 768007628 /nfs/dbraw/zinc/00/76/28/768007628.db2.gz GIBBQVLRHHQFOH-CYBMUJFWSA-N 0 3 311.363 1.187 20 5 DDBDHN CC(=O)Nc1ccc(N[C@H](C)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170576395 768252287 /nfs/dbraw/zinc/25/22/87/768252287.db2.gz ZXYVDYQBMJYEGC-YMTOWFKASA-N 0 3 308.338 1.342 20 5 DDBDHN COc1nc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)co1 ZINC001131920892 768489087 /nfs/dbraw/zinc/48/90/87/768489087.db2.gz NQPNAGVYEWGKCF-UHFFFAOYSA-N 0 3 320.305 1.111 20 5 DDBDHN CCN(CC)CC(=O)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001093646891 774947550 /nfs/dbraw/zinc/94/75/50/774947550.db2.gz PTLALTGUQHYZMK-UHFFFAOYSA-N 0 3 312.345 1.604 20 5 DDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H]1COCCC12OCCO2 ZINC001173216283 777047822 /nfs/dbraw/zinc/04/78/22/777047822.db2.gz IFAQVLHGRDXTGB-DOMZBBRYSA-N 0 3 322.361 1.647 20 5 DDBDHN CNC(=O)N[C@H]1CCCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173235889 777063851 /nfs/dbraw/zinc/06/38/51/777063851.db2.gz CBLYZLMFSAWQKM-JSGCOSHPSA-N 0 3 320.393 1.919 20 5 DDBDHN Cc1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC001123623134 859328955 /nfs/dbraw/zinc/32/89/55/859328955.db2.gz QHCZFHCFBGQGLL-UHFFFAOYSA-N 0 3 314.345 1.818 20 5 DDBDHN CSc1nc(Cl)c([N+](=O)[O-])c(-n2ccc([C@H](C)N)n2)n1 ZINC001158348897 864594263 /nfs/dbraw/zinc/59/42/63/864594263.db2.gz MVZDNZHXQGAKPI-YFKPBYRVSA-N 0 3 314.758 1.966 20 5 DDBDHN COc1cnc(NCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001161703977 866912875 /nfs/dbraw/zinc/91/28/75/866912875.db2.gz VGSRJXDPAAREMH-UHFFFAOYSA-N 0 3 309.370 1.048 20 5 DDBDHN COc1ccc(CC(=O)N[C@H]2CN3CCC2CC3)cc1[N+](=O)[O-] ZINC001337410967 869476145 /nfs/dbraw/zinc/47/61/45/869476145.db2.gz UQOYNNVLTXRGSW-ZDUSSCGKSA-N 0 3 319.361 1.356 20 5 DDBDHN CN1CCCC[C@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001339264381 870427891 /nfs/dbraw/zinc/42/78/91/870427891.db2.gz KWMAYMIZBVQCHB-NSHDSACASA-N 0 3 321.333 1.538 20 5 DDBDHN COC(=O)N1CCC[C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC001308240195 871482150 /nfs/dbraw/zinc/48/21/50/871482150.db2.gz DLJFRFJKBSXSJK-GFCCVEGCSA-N 0 3 323.349 1.924 20 5 DDBDHN CCS(=O)(=O)Nc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC001344448264 873008660 /nfs/dbraw/zinc/00/86/60/873008660.db2.gz NYKSZWXVMCPHAR-SECBINFHSA-N 0 3 316.335 1.270 20 5 DDBDHN NCc1ccc(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)cn1 ZINC001214115466 876178692 /nfs/dbraw/zinc/17/86/92/876178692.db2.gz NNKCTKLDGALMFZ-UHFFFAOYSA-N 0 3 316.252 1.700 20 5 DDBDHN c1ccc2nc3cc(O[C@@H]4CN5C[C@H]4NCC5)ccc3nc2c1 ZINC001218110259 877398951 /nfs/dbraw/zinc/39/89/51/877398951.db2.gz WZXPUEFPTHODFV-QZTJIDSGSA-N 0 3 306.369 1.818 20 5 DDBDHN C[C@@](O)(CNC[C@H](O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC001262572131 900254147 /nfs/dbraw/zinc/25/41/47/900254147.db2.gz LTQRAQAPMNVSKU-WDEREUQCSA-N 0 3 308.256 1.531 20 5 DDBDHN CC(C)(C)C(=O)N(CCO)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001279886502 903442527 /nfs/dbraw/zinc/44/25/27/903442527.db2.gz NIWASYMPSGGWFZ-UHFFFAOYSA-N 0 3 323.393 1.551 20 5 DDBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)n1 ZINC001294222911 914991795 /nfs/dbraw/zinc/99/17/95/914991795.db2.gz DNIUGACFBDNANT-NEPJUHHUSA-N 0 3 304.350 1.607 20 5 DDBDHN CS[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000451308207 231063628 /nfs/dbraw/zinc/06/36/28/231063628.db2.gz AFGFPSSGHFQTRT-JSGCOSHPSA-N 0 3 312.391 1.772 20 5 DDBDHN O=[N+]([O-])c1cc(Br)ccc1OC[C@@H]1CNCCO1 ZINC000088086558 185239446 /nfs/dbraw/zinc/23/94/46/185239446.db2.gz DZHBGXFCZDPQDB-VIFPVBQESA-N 0 3 317.139 1.725 20 5 DDBDHN CCN(CCc1nccs1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090589606 185305465 /nfs/dbraw/zinc/30/54/65/185305465.db2.gz OJJNAXWHDHDDDT-UHFFFAOYSA-N 0 3 322.390 1.778 20 5 DDBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc([S@@](C)=O)cc1 ZINC000090539599 185301615 /nfs/dbraw/zinc/30/16/15/185301615.db2.gz AJEANENIKJWAOG-SAHAZLINSA-N 0 3 322.390 1.880 20 5 DDBDHN CN1CC[C@@](O)(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413232431 529801037 /nfs/dbraw/zinc/80/10/37/529801037.db2.gz NGHKJMSHALDTCA-LLVKDONJSA-N 0 3 320.271 1.487 20 5 DDBDHN Cc1ccc([C@H](C)NCCN2C(=O)CNC2=O)cc1[N+](=O)[O-] ZINC000181808992 199355574 /nfs/dbraw/zinc/35/55/74/199355574.db2.gz HJXLQJQKXMVGBZ-JTQLQIEISA-N 0 3 306.322 1.106 20 5 DDBDHN C[C@H]1[C@H](N(C)C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000601227819 358455831 /nfs/dbraw/zinc/45/58/31/358455831.db2.gz WPPMBDMHPGURDE-GXFFZTMASA-N 0 3 320.349 1.084 20 5 DDBDHN C[C@H](CN(C)C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000358506854 299178197 /nfs/dbraw/zinc/17/81/97/299178197.db2.gz UJHXUJLGSADDKT-LLVKDONJSA-N 0 3 322.365 1.318 20 5 DDBDHN CN(C)Cc1ccccc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000052666198 352621756 /nfs/dbraw/zinc/62/17/56/352621756.db2.gz SGRTYOQPXMDEJQ-UHFFFAOYSA-N 0 3 303.322 1.492 20 5 DDBDHN COCCN1CC[C@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000491564790 234204240 /nfs/dbraw/zinc/20/42/40/234204240.db2.gz ZAIKOVMKVHMVPY-GXMNPTEKSA-N 0 3 319.361 1.445 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000061648926 352891839 /nfs/dbraw/zinc/89/18/39/352891839.db2.gz HVEBEGFFEYNWLO-UONOGXRCSA-N 0 3 319.361 1.496 20 5 DDBDHN CN1CCC(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000066042608 352974637 /nfs/dbraw/zinc/97/46/37/352974637.db2.gz QYYSNSXREURYTA-UHFFFAOYSA-N 0 3 316.361 1.760 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[NH+]2CCCC2)s1 ZINC000066327466 352989372 /nfs/dbraw/zinc/98/93/72/352989372.db2.gz VQACDHCAVNUGEI-UHFFFAOYSA-N 0 3 319.408 1.421 20 5 DDBDHN Nc1c(C(=O)N[C@H]2CCN(CC3CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000108297133 353948559 /nfs/dbraw/zinc/94/85/59/353948559.db2.gz AKIFPYRRZNTZAA-NSHDSACASA-N 0 3 322.340 1.530 20 5 DDBDHN CN(CC(=O)N1CC[C@@H]2CN(C)C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000590046408 355043713 /nfs/dbraw/zinc/04/37/13/355043713.db2.gz CKRSECMEWLYSPC-DOMZBBRYSA-N 0 3 318.377 1.194 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1 ZINC000590442952 355097868 /nfs/dbraw/zinc/09/78/68/355097868.db2.gz IGLRAPYLOKYOIF-YGRLFVJLSA-N 0 3 305.334 1.380 20 5 DDBDHN CC1(C)CN[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000592028326 355470153 /nfs/dbraw/zinc/47/01/53/355470153.db2.gz YPOFDIBVEXILKO-CQSZACIVSA-N 0 3 318.377 1.241 20 5 DDBDHN CC(C)[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCN1 ZINC000592247744 355546689 /nfs/dbraw/zinc/54/66/89/355546689.db2.gz SXOKGDHNVXEBFJ-LLVKDONJSA-N 0 3 310.329 1.386 20 5 DDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000592523781 355612003 /nfs/dbraw/zinc/61/20/03/355612003.db2.gz PYXCBPQXLBYZNA-NSHDSACASA-N 0 3 324.356 1.286 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593519676 355912278 /nfs/dbraw/zinc/91/22/78/355912278.db2.gz AOBQPXFRMSGWTM-YGRLFVJLSA-N 0 3 321.352 1.875 20 5 DDBDHN CN1CCC[C@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593454270 355889342 /nfs/dbraw/zinc/88/93/42/355889342.db2.gz HCVOQSPUFQHIRA-LLVKDONJSA-N 0 3 309.341 1.734 20 5 DDBDHN COc1ccc(OCCN(C[C@@H](C)O)C2CC2)c([N+](=O)[O-])c1 ZINC000594066320 356103474 /nfs/dbraw/zinc/10/34/74/356103474.db2.gz VPGMSRBSAMKBOS-LLVKDONJSA-N 0 3 310.350 1.827 20 5 DDBDHN O=C1C[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CN1C1CC1 ZINC000594500369 356238674 /nfs/dbraw/zinc/23/86/74/356238674.db2.gz RSXYFIHHIBNKHZ-IINYFYTJSA-N 0 3 301.346 1.935 20 5 DDBDHN Cn1nnc2c1CC[C@@H](NCc1ccc([N+](=O)[O-])cc1F)C2 ZINC000594517001 356241821 /nfs/dbraw/zinc/24/18/21/356241821.db2.gz TZMYZVQGFFONPQ-SNVBAGLBSA-N 0 3 305.313 1.510 20 5 DDBDHN C[NH2+]C[C@@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000595121482 356385837 /nfs/dbraw/zinc/38/58/37/356385837.db2.gz KMTSYIAAUBPJFG-SECBINFHSA-N 0 3 301.368 1.098 20 5 DDBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cnc[nH]1 ZINC000595593368 356566105 /nfs/dbraw/zinc/56/61/05/356566105.db2.gz DRTFIYYFWIRVCL-UHFFFAOYSA-N 0 3 303.322 1.779 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3ccco3)CC2)c1 ZINC000595619071 356580305 /nfs/dbraw/zinc/58/03/05/356580305.db2.gz ZQUQSEVQDXEWQM-AWEZNQCLSA-N 0 3 320.349 1.625 20 5 DDBDHN COc1ccc(OCCN2C[C@@H](C)C(O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000595742409 356631200 /nfs/dbraw/zinc/63/12/00/356631200.db2.gz GARUDNIRZYTCEU-VXGBXAGGSA-N 0 3 324.377 1.931 20 5 DDBDHN CC[C@H](C)[C@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237011411 202121824 /nfs/dbraw/zinc/12/18/24/202121824.db2.gz ZCWCENSBECHEEQ-WFASDCNBSA-N 0 3 320.393 1.617 20 5 DDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCNC1 ZINC000236983474 202107870 /nfs/dbraw/zinc/10/78/70/202107870.db2.gz JZRXDIVWIJFJCX-LLVKDONJSA-N 0 3 313.379 1.188 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H]2COC[C@@H]2C1 ZINC000595836996 356672606 /nfs/dbraw/zinc/67/26/06/356672606.db2.gz ZQIPEGFZQVMEAB-MELADBBJSA-N 0 3 322.361 1.303 20 5 DDBDHN CC[C@H](C)N1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596258908 356834945 /nfs/dbraw/zinc/83/49/45/356834945.db2.gz NWNZHZSDQMNKRA-NSHDSACASA-N 0 3 306.366 1.614 20 5 DDBDHN COC(=O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@H]21 ZINC000599659041 358012586 /nfs/dbraw/zinc/01/25/86/358012586.db2.gz OAXNDBFFFKBLNB-BFHYXJOUSA-N 0 3 322.365 1.455 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000600228489 358162402 /nfs/dbraw/zinc/16/24/02/358162402.db2.gz BTAJWUXRCXLZFL-LBPRGKRZSA-N 0 3 321.381 1.465 20 5 DDBDHN O=C(NC[C@H]1CCN1C1CCCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000600228809 358163520 /nfs/dbraw/zinc/16/35/20/358163520.db2.gz FWOZIMIDOPTOBI-LLVKDONJSA-N 0 3 307.354 1.455 20 5 DDBDHN CC[C@H]1CN(C)CCCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000601189387 358440118 /nfs/dbraw/zinc/44/01/18/358440118.db2.gz QPAQAWFKLAFQHS-NSHDSACASA-N 0 3 306.366 1.614 20 5 DDBDHN CN(C)[C@@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181200235 199264212 /nfs/dbraw/zinc/26/42/12/199264212.db2.gz CMRTUFXBWUWMDY-SNVBAGLBSA-N 0 3 307.306 1.100 20 5 DDBDHN COC[C@]1(C(=O)NCc2ccccc2[N+](=O)[O-])CCCCN1 ZINC000602439241 358976602 /nfs/dbraw/zinc/97/66/02/358976602.db2.gz INJGVWGMXDMLQE-HNNXBMFYSA-N 0 3 307.350 1.370 20 5 DDBDHN CCN[C@H](C)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000602454644 358988700 /nfs/dbraw/zinc/98/87/00/358988700.db2.gz MPBNGRSEMNUIOF-GFCCVEGCSA-N 0 3 308.382 1.819 20 5 DDBDHN CCN[C@@H](C)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000602454645 358988748 /nfs/dbraw/zinc/98/87/48/358988748.db2.gz MPBNGRSEMNUIOF-LBPRGKRZSA-N 0 3 308.382 1.819 20 5 DDBDHN COCCN(CCN(C)C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602656807 359105368 /nfs/dbraw/zinc/10/53/68/359105368.db2.gz NUADIPDSIWIKOX-UHFFFAOYSA-N 0 3 322.365 1.746 20 5 DDBDHN C[C@@H]1OCC[C@@H]1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000602837529 359227929 /nfs/dbraw/zinc/22/79/29/359227929.db2.gz ONSKEDOGUJJSSX-QWHCGFSZSA-N 0 3 306.366 1.537 20 5 DDBDHN CN(C)C1(CN(C)C(=O)c2cccc([N+](=O)[O-])c2N)CCC1 ZINC000187942018 200180456 /nfs/dbraw/zinc/18/04/56/200180456.db2.gz PAPKPERPOJMQRX-UHFFFAOYSA-N 0 3 306.366 1.733 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000604467914 359753986 /nfs/dbraw/zinc/75/39/86/359753986.db2.gz ZNVPXAMLXVSAON-GFCCVEGCSA-N 0 3 306.366 1.634 20 5 DDBDHN COc1ccc(C(=O)NC2(CN(C)C)CCC2)cc1[N+](=O)[O-] ZINC000281115265 216088242 /nfs/dbraw/zinc/08/82/42/216088242.db2.gz RQJYHMHNIKSQRD-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN O=[N+]([O-])c1cnccc1N1CCCN(C[C@H]2CCCO2)CC1 ZINC000610489263 360450327 /nfs/dbraw/zinc/45/03/27/360450327.db2.gz UOUUTYIQHHUOIB-CYBMUJFWSA-N 0 3 306.366 1.681 20 5 DDBDHN CN1CC=C(CNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000272003799 209375360 /nfs/dbraw/zinc/37/53/60/209375360.db2.gz RXJVIMXKXZXSQL-UHFFFAOYSA-N 0 3 305.334 1.352 20 5 DDBDHN CCN1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000612030669 360895109 /nfs/dbraw/zinc/89/51/09/360895109.db2.gz WIWJMUGNOLWRJS-UONOGXRCSA-N 0 3 323.393 1.361 20 5 DDBDHN O=c1ccccn1CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618760292 363752057 /nfs/dbraw/zinc/75/20/57/363752057.db2.gz NBVWVQBVGRUFGL-UHFFFAOYSA-N 0 3 317.349 1.290 20 5 DDBDHN COc1cc(N2CCN(CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000275457178 212345811 /nfs/dbraw/zinc/34/58/11/212345811.db2.gz HHUPTGOQJMQTIH-GFCCVEGCSA-N 0 3 323.393 1.885 20 5 DDBDHN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000275155021 212156597 /nfs/dbraw/zinc/15/65/97/212156597.db2.gz HNELKNZWZWWHPF-CMPLNLGQSA-N 0 3 306.322 1.408 20 5 DDBDHN CN(CCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000264609146 204026969 /nfs/dbraw/zinc/02/69/69/204026969.db2.gz FBBOFINVHHCOMQ-UHFFFAOYSA-N 0 3 310.373 1.808 20 5 DDBDHN C[C@H]1C[C@@H](CO)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000288573630 220251906 /nfs/dbraw/zinc/25/19/06/220251906.db2.gz BLLUILYXXDOUDF-KCQAQPDRSA-N 0 3 324.377 1.427 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H](O)CN1CCCCC1 ZINC000159926700 197373846 /nfs/dbraw/zinc/37/38/46/197373846.db2.gz PCZAWUJCESYYMS-HNNXBMFYSA-N 0 3 321.377 1.100 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]1CN(C)C ZINC000267538970 206132857 /nfs/dbraw/zinc/13/28/57/206132857.db2.gz UNZGZPJNSNQXTF-LBPRGKRZSA-N 0 3 309.370 1.042 20 5 DDBDHN NC(=O)CCN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000174813149 248380057 /nfs/dbraw/zinc/38/00/57/248380057.db2.gz FVQXFAUJAAXFSW-UHFFFAOYSA-N 0 3 317.349 1.169 20 5 DDBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000337230277 249399590 /nfs/dbraw/zinc/39/95/90/249399590.db2.gz VTSRBBVFJCKHIZ-GRYCIOLGSA-N 0 3 307.350 1.936 20 5 DDBDHN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCN1C[C@@H](C)O ZINC000105825356 194138551 /nfs/dbraw/zinc/13/85/51/194138551.db2.gz ZLMUXWNHUOOKLZ-HIFRSBDPSA-N 0 3 307.394 1.872 20 5 DDBDHN Cc1ccc(CNC[C@@H]2CN(C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000106379922 194204032 /nfs/dbraw/zinc/20/40/32/194204032.db2.gz CAPBBKPBVSPGMX-OAHLLOKOSA-N 0 3 305.378 1.856 20 5 DDBDHN C[C@@H](NCCNC(=O)c1ccco1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285181658 218322706 /nfs/dbraw/zinc/32/27/06/218322706.db2.gz NHSBSLHECUKDBA-SNVBAGLBSA-N 0 3 318.333 1.851 20 5 DDBDHN CCN1CCCC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000109966739 194300643 /nfs/dbraw/zinc/30/06/43/194300643.db2.gz VEHCQVZXAIHOKJ-CYBMUJFWSA-N 0 3 323.397 1.480 20 5 DDBDHN Cc1cc(NC[C@H](O)[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000340780848 251208742 /nfs/dbraw/zinc/20/87/42/251208742.db2.gz QGBXFZBCISOBRY-ZBEGNZNMSA-N 0 3 317.345 1.683 20 5 DDBDHN O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(C2CC2)C1 ZINC000340967281 251308559 /nfs/dbraw/zinc/30/85/59/251308559.db2.gz APIIOZLTLMXDTA-LLVKDONJSA-N 0 3 304.350 1.360 20 5 DDBDHN Cc1cc(N2CCS(=O)(=O)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272866651 291938387 /nfs/dbraw/zinc/93/83/87/291938387.db2.gz RQEIDCKNFUAKER-UHFFFAOYSA-N 0 3 321.358 1.686 20 5 DDBDHN O=[N+]([O-])c1cc(I)cc(CNCCO)c1 ZINC000289777746 221219436 /nfs/dbraw/zinc/21/94/36/221219436.db2.gz GXHGLSQISZSUGE-UHFFFAOYSA-N 0 3 322.102 1.281 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000423062424 533223234 /nfs/dbraw/zinc/22/32/34/533223234.db2.gz NADBCYNSAMDKEY-GXFFZTMASA-N 0 3 307.350 1.608 20 5 DDBDHN COCCN(C)CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000068336856 406633219 /nfs/dbraw/zinc/63/32/19/406633219.db2.gz WALZMXZAHUKVBS-VOTSOKGWSA-N 0 3 307.350 1.302 20 5 DDBDHN CN(C)CCN(CCN(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000078489926 407030683 /nfs/dbraw/zinc/03/06/83/407030683.db2.gz YRNOWTKIKUSMGQ-UHFFFAOYSA-N 0 3 323.397 1.552 20 5 DDBDHN COCCN(CCN(C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000078508459 407030806 /nfs/dbraw/zinc/03/08/06/407030806.db2.gz BCFMKDQFFOCXBA-UHFFFAOYSA-N 0 3 309.366 1.174 20 5 DDBDHN COc1ccc(CNC[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000038084206 406999773 /nfs/dbraw/zinc/99/97/73/406999773.db2.gz ACOLZVUUZLAAOL-NSHDSACASA-N 0 3 314.363 1.128 20 5 DDBDHN O=C(NCCCn1ccnc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000068005037 407293987 /nfs/dbraw/zinc/29/39/87/407293987.db2.gz MDJOOHSMSUEKAG-UHFFFAOYSA-N 0 3 314.305 1.488 20 5 DDBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCN1C ZINC000127574747 407442603 /nfs/dbraw/zinc/44/26/03/407442603.db2.gz HOTGFEGXIAZZMS-KOLCDFICSA-N 0 3 324.356 1.871 20 5 DDBDHN NC(=O)CCC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000270995334 407458587 /nfs/dbraw/zinc/45/85/87/407458587.db2.gz BVLFSLHKBXOVKX-UHFFFAOYSA-N 0 3 321.377 1.951 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCNC[C@@H]2c2cccc(F)c2)c1 ZINC000261826375 407631562 /nfs/dbraw/zinc/63/15/62/407631562.db2.gz SPNONFJXMRXDFH-OAHLLOKOSA-N 0 3 319.340 1.577 20 5 DDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000115433354 407679352 /nfs/dbraw/zinc/67/93/52/407679352.db2.gz SPZKTZXODZYNCI-ZDUSSCGKSA-N 0 3 321.377 1.774 20 5 DDBDHN CCc1n[nH]c(C(=O)NCCN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000171399678 407681142 /nfs/dbraw/zinc/68/11/42/407681142.db2.gz KRYJLRLANDFREK-UHFFFAOYSA-N 0 3 309.370 1.342 20 5 DDBDHN CN1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000179338561 407770978 /nfs/dbraw/zinc/77/09/78/407770978.db2.gz KGDKJGXCIKJHIH-FZMZJTMJSA-N 0 3 315.333 1.493 20 5 DDBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)CN1C1CC1 ZINC000133535609 407855901 /nfs/dbraw/zinc/85/59/01/407855901.db2.gz DVHHENDGNCALHP-IUCAKERBSA-N 0 3 305.338 1.126 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)cnc1NC[C@H](O)CN1CCCCC1 ZINC000153584786 407859095 /nfs/dbraw/zinc/85/90/95/407859095.db2.gz BEAHXVWGHZGLCV-NSHDSACASA-N 0 3 314.773 1.902 20 5 DDBDHN Cc1c([C@@H](C)NCCN2C(=O)CNC2=O)cccc1[N+](=O)[O-] ZINC000134089423 407884233 /nfs/dbraw/zinc/88/42/33/407884233.db2.gz HLMLAXJYZUULLN-SNVBAGLBSA-N 0 3 306.322 1.106 20 5 DDBDHN O=C([C@@H]1CCCCN1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237937908 407850188 /nfs/dbraw/zinc/85/01/88/407850188.db2.gz BSVKOPACJLWSRI-AAEUAGOBSA-N 0 3 319.365 1.145 20 5 DDBDHN CCO[C@@H]1C[C@@H](O)C12CCN(CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000174873090 407997135 /nfs/dbraw/zinc/99/71/35/407997135.db2.gz MSPHBJAGDIAIIL-ZIAGYGMSSA-N 0 3 324.381 1.043 20 5 DDBDHN C[C@H](O)[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000136330825 408097443 /nfs/dbraw/zinc/09/74/43/408097443.db2.gz GTLRIYNNDSIICG-GUTXKFCHSA-N 0 3 324.377 1.427 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)NCCN1CCCCC1 ZINC000131476977 162016503 /nfs/dbraw/zinc/01/65/03/162016503.db2.gz DCVFOEFYNGFADM-UHFFFAOYSA-N 0 3 309.341 1.879 20 5 DDBDHN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1CCCO1 ZINC000183187208 408348366 /nfs/dbraw/zinc/34/83/66/408348366.db2.gz PDOQNCGMGYLTPF-NILFDRSVSA-N 0 3 319.361 1.857 20 5 DDBDHN COCCN1CCC[C@H]1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173540901 162347382 /nfs/dbraw/zinc/34/73/82/162347382.db2.gz FNGKZLMAUCRFSL-ZDUSSCGKSA-N 0 3 321.377 1.744 20 5 DDBDHN Cc1cc(N[C@H](C)CCN2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000274526533 408439301 /nfs/dbraw/zinc/43/93/01/408439301.db2.gz XSVCGDVLLBPTMK-CYBMUJFWSA-N 0 3 307.398 1.736 20 5 DDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000191666763 408468627 /nfs/dbraw/zinc/46/86/27/408468627.db2.gz ALUDMJDUYGUVBR-NSHDSACASA-N 0 3 306.366 1.591 20 5 DDBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000248465298 408573189 /nfs/dbraw/zinc/57/31/89/408573189.db2.gz RLDNYIMREMTOMM-NWDGAFQWSA-N 0 3 312.391 1.772 20 5 DDBDHN COC[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248466415 408573395 /nfs/dbraw/zinc/57/33/95/408573395.db2.gz SIPZURBNOKEKJI-ZIAGYGMSSA-N 0 3 324.377 1.693 20 5 DDBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285853550 408876643 /nfs/dbraw/zinc/87/66/43/408876643.db2.gz QHPFRHDJNVXVLC-LLVKDONJSA-N 0 3 317.349 1.568 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H](CN3CCOCC3)C2)cc1F ZINC000276288049 408829548 /nfs/dbraw/zinc/82/95/48/408829548.db2.gz HDFFUVQXHVMMOJ-AWEZNQCLSA-N 0 3 323.368 1.888 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000285754072 408856715 /nfs/dbraw/zinc/85/67/15/408856715.db2.gz KCJBPZNPLNBSJG-YPMHNXCESA-N 0 3 321.381 1.185 20 5 DDBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H](c1ccccc1)N(C)C ZINC000285984759 408902391 /nfs/dbraw/zinc/90/23/91/408902391.db2.gz FZONWUZDTCOFLD-IINYFYTJSA-N 0 3 317.349 1.739 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@](CO)(c3ccccc3)C2)n1 ZINC000291925582 408945806 /nfs/dbraw/zinc/94/58/06/408945806.db2.gz SNFSXELCUPSXFU-MRXNPFEDSA-N 0 3 316.361 1.427 20 5 DDBDHN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCCNCC1 ZINC000238170146 163399669 /nfs/dbraw/zinc/39/96/69/163399669.db2.gz VKZGANRYCKUELA-UHFFFAOYSA-N 0 3 318.377 1.631 20 5 DDBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCN(C2CCC2)C1 ZINC000292256956 409010912 /nfs/dbraw/zinc/01/09/12/409010912.db2.gz FDGCEOTWDHSOGU-NSHDSACASA-N 0 3 306.366 1.869 20 5 DDBDHN CC[C@H](NC(=O)[C@@H](N)CCC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000288830878 409185552 /nfs/dbraw/zinc/18/55/52/409185552.db2.gz UZVWDRFEWQFCIA-STQMWFEESA-N 0 3 323.349 1.443 20 5 DDBDHN C[C@H](CN1CCN(C)CC1)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293762892 409176500 /nfs/dbraw/zinc/17/65/00/409176500.db2.gz PDSGYYYLJNBECO-OLZOCXBDSA-N 0 3 321.425 1.464 20 5 DDBDHN CO[C@H]1COC[C@@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000290156759 409311795 /nfs/dbraw/zinc/31/17/95/409311795.db2.gz OGUZSBBTFINRJL-KBPBESRZSA-N 0 3 323.349 1.235 20 5 DDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN(CCCO)C1 ZINC000296075454 409421267 /nfs/dbraw/zinc/42/12/67/409421267.db2.gz CYMPETPSDHLOHQ-ZDUSSCGKSA-N 0 3 322.365 1.563 20 5 DDBDHN CNC(=O)[C@]1(C)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000280721289 409425722 /nfs/dbraw/zinc/42/57/22/409425722.db2.gz IAYJDADTFAWPQV-UKRRQHHQSA-N 0 3 307.350 1.086 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)CCC[NH3+] ZINC000313555687 164010756 /nfs/dbraw/zinc/01/07/56/164010756.db2.gz SPQIEVKOFGLKMV-SNVBAGLBSA-N 0 3 301.368 1.309 20 5 DDBDHN O=C(NCCCNCc1cccnc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000314544732 164015681 /nfs/dbraw/zinc/01/56/81/164015681.db2.gz UNOYFFSMPWJKDF-UHFFFAOYSA-N 0 3 303.322 1.228 20 5 DDBDHN COc1ccc([C@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000321307690 164043804 /nfs/dbraw/zinc/04/38/04/164043804.db2.gz WGNDFCCWVXDAFU-SMDDNHRTSA-N 0 3 320.349 1.512 20 5 DDBDHN COC[C@@]1(C(=O)OC)CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000296311655 409500360 /nfs/dbraw/zinc/50/03/60/409500360.db2.gz OEVHPXSPBSAWDC-MRXNPFEDSA-N 0 3 322.361 1.915 20 5 DDBDHN CN(C)CCn1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000303065373 409528375 /nfs/dbraw/zinc/52/83/75/409528375.db2.gz ZMTBKLXGILEKOD-UHFFFAOYSA-N 0 3 317.349 1.534 20 5 DDBDHN CN1CCC(CCO)(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000354143113 409694251 /nfs/dbraw/zinc/69/42/51/409694251.db2.gz LGVQOHTVTUNMMR-UHFFFAOYSA-N 0 3 307.350 1.171 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCC1=CCN(C)CC1 ZINC000354566601 409943234 /nfs/dbraw/zinc/94/32/34/409943234.db2.gz CYZIELYSEBSPCK-UHFFFAOYSA-N 0 3 304.350 1.628 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)Cn1cccn1 ZINC000354920746 410174105 /nfs/dbraw/zinc/17/41/05/410174105.db2.gz OFUPNVVPKGQTNK-LBPRGKRZSA-N 0 3 317.349 1.717 20 5 DDBDHN C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N1CCCC[C@@H]1C ZINC000347012138 410311848 /nfs/dbraw/zinc/31/18/48/410311848.db2.gz LSJBRUAPOIIYCR-WDEREUQCSA-N 0 3 309.370 1.321 20 5 DDBDHN NC(=O)CC[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000339708513 410405965 /nfs/dbraw/zinc/40/59/65/410405965.db2.gz MLPXYUYANZHDBX-ZDUSSCGKSA-N 0 3 321.377 1.951 20 5 DDBDHN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000348211748 410857507 /nfs/dbraw/zinc/85/75/07/410857507.db2.gz FXNIZQZDTQYCEX-ZDUSSCGKSA-N 0 3 318.377 1.702 20 5 DDBDHN Cc1c(NC(=O)CCN2CCN(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000330679535 410871840 /nfs/dbraw/zinc/87/18/40/410871840.db2.gz XUKXPQRVZUZRBZ-GFCCVEGCSA-N 0 3 320.393 1.868 20 5 DDBDHN CN(C)CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000348436392 410964820 /nfs/dbraw/zinc/96/48/20/410964820.db2.gz XAPVYDDDEMQCPJ-CQSZACIVSA-N 0 3 303.366 1.569 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N2CCC(OCCN(C)C)CC2)n1 ZINC000360868620 418537207 /nfs/dbraw/zinc/53/72/07/418537207.db2.gz BOMDJVYGCGFJCD-UHFFFAOYSA-N 0 3 308.382 1.845 20 5 DDBDHN CCc1nn(C)c(NCCCN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000360950191 418553593 /nfs/dbraw/zinc/55/35/93/418553593.db2.gz ZFRWFHNOTPHVEG-UHFFFAOYSA-N 0 3 311.386 1.149 20 5 DDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000367888857 418653250 /nfs/dbraw/zinc/65/32/50/418653250.db2.gz ZDBQZLCPIQNPTP-NSHDSACASA-N 0 3 318.377 1.924 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000365668957 418892077 /nfs/dbraw/zinc/89/20/77/418892077.db2.gz FRJSIHHGNJGEEN-OLZOCXBDSA-N 0 3 319.361 1.496 20 5 DDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000421710518 419696672 /nfs/dbraw/zinc/69/66/72/419696672.db2.gz KZMHHZAJUCLMOH-NSHDSACASA-N 0 3 317.349 1.637 20 5 DDBDHN C[C@H]1C[C@@H]1N1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000429005574 419961872 /nfs/dbraw/zinc/96/18/72/419961872.db2.gz MNMRJNRJCPYETF-AGIUHOORSA-N 0 3 307.398 1.490 20 5 DDBDHN C[C@H]1CCN[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000423185242 419986246 /nfs/dbraw/zinc/98/62/46/419986246.db2.gz NDWMHOWAEOTPAW-NHYWBVRUSA-N 0 3 303.362 1.868 20 5 DDBDHN O=C(COC1CNC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423722661 420143225 /nfs/dbraw/zinc/14/32/25/420143225.db2.gz KNGFRGRZPHYIRD-UHFFFAOYSA-N 0 3 305.334 1.074 20 5 DDBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCNC[C@@](C)(F)C1 ZINC000420339296 420221303 /nfs/dbraw/zinc/22/13/03/420221303.db2.gz SHBLWHNXZCWTJQ-XHDPSFHLSA-N 0 3 324.356 1.555 20 5 DDBDHN Cc1cc(OCC(=O)N2CCN(C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000431989412 420242354 /nfs/dbraw/zinc/24/23/54/420242354.db2.gz ANOVAQUYDJSSCO-CYBMUJFWSA-N 0 3 321.377 1.835 20 5 DDBDHN COC(=O)c1cc(C)nc(N2C[C@@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000450782924 420529880 /nfs/dbraw/zinc/52/98/80/420529880.db2.gz ZHINPYKGAHUIAT-CMPLNLGQSA-N 0 3 320.349 1.225 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)CN2CCCC2)n1 ZINC000457054758 420598260 /nfs/dbraw/zinc/59/82/60/420598260.db2.gz QSJBEZYYAZBTSR-UHFFFAOYSA-N 0 3 309.370 1.415 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000440834632 420611844 /nfs/dbraw/zinc/61/18/44/420611844.db2.gz AOTJEOCLUCDYMI-NSHDSACASA-N 0 3 313.379 1.099 20 5 DDBDHN CNc1nc(C(=O)N[C@H](CC(C)C)CN(C)C)ccc1[N+](=O)[O-] ZINC000455013088 420957205 /nfs/dbraw/zinc/95/72/05/420957205.db2.gz FXTAVHDMQNSYST-LLVKDONJSA-N 0 3 323.397 1.738 20 5 DDBDHN CNc1nc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455906630 421075353 /nfs/dbraw/zinc/07/53/53/421075353.db2.gz GLAYHKVWDQNKHC-JQWIXIFHSA-N 0 3 321.381 1.490 20 5 DDBDHN C[C@H]1CCN(CCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000525291527 421284358 /nfs/dbraw/zinc/28/43/58/421284358.db2.gz IIPWSALUPBIWIJ-LBPRGKRZSA-N 0 3 307.350 1.432 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCN1C ZINC000525620060 421294017 /nfs/dbraw/zinc/29/40/17/421294017.db2.gz ZESTYBXVEDMQJH-NXEZZACHSA-N 0 3 321.333 1.536 20 5 DDBDHN Cc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000562492747 421373902 /nfs/dbraw/zinc/37/39/02/421373902.db2.gz BNAUVCBWTKVQDB-ZDUSSCGKSA-N 0 3 308.313 1.390 20 5 DDBDHN CNc1nccc(C(=O)N[C@@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000563706211 421536478 /nfs/dbraw/zinc/53/64/78/421536478.db2.gz GJZFTGZWCDMTQD-NSHDSACASA-N 0 3 321.381 1.636 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000571577376 421727397 /nfs/dbraw/zinc/72/73/97/421727397.db2.gz OWLBBQTYIFDNEC-WDEREUQCSA-N 0 3 318.377 1.992 20 5 DDBDHN CC1(C)CN[C@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000592070587 422329656 /nfs/dbraw/zinc/32/96/56/422329656.db2.gz RMBHIKQTZYLLNI-ZDUSSCGKSA-N 0 3 315.333 1.921 20 5 DDBDHN O=[N+]([O-])c1cnc2ccc(N[C@H]3CCCN4CCCC[C@@H]34)nn21 ZINC000594602479 422351808 /nfs/dbraw/zinc/35/18/08/422351808.db2.gz QSPYHSOGWXNCFB-RYUDHWBXSA-N 0 3 316.365 2.066 20 5 DDBDHN CCN1CCN(CCNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000031794224 263253038 /nfs/dbraw/zinc/25/30/38/263253038.db2.gz XDJBVXSLBSQCJN-UHFFFAOYSA-N 0 3 321.381 1.354 20 5 DDBDHN CC[C@@H](NCCCS(=O)(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000342290848 271368279 /nfs/dbraw/zinc/36/82/79/271368279.db2.gz GXLDDDGCHKYRIA-CYBMUJFWSA-N 0 3 315.395 1.575 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(C(N)=O)nc1 ZINC000449194370 274231116 /nfs/dbraw/zinc/23/11/16/274231116.db2.gz XTKIQQNTZJUYDF-NSHDSACASA-N 0 3 314.345 1.810 20 5 DDBDHN CC(C)[C@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N(C)C ZINC000278155003 276013184 /nfs/dbraw/zinc/01/31/84/276013184.db2.gz OTNUQVHONPHHSR-CQSZACIVSA-N 0 3 319.365 1.674 20 5 DDBDHN C[C@@H](CN1CCOCC1)N(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000279763102 278262901 /nfs/dbraw/zinc/26/29/01/278262901.db2.gz RSTWUHWVSBAOHP-AWEZNQCLSA-N 0 3 307.394 1.790 20 5 DDBDHN C[C@H](N[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(=O)NCCF ZINC000337502578 279530746 /nfs/dbraw/zinc/53/07/46/279530746.db2.gz LYZYGLSHINKFSQ-SMDDNHRTSA-N 0 3 323.368 1.980 20 5 DDBDHN CC[C@@H](NCC1(C(N)=O)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153172340 280185350 /nfs/dbraw/zinc/18/53/50/280185350.db2.gz CGWILPMVZHIYBM-CQSZACIVSA-N 0 3 321.377 1.918 20 5 DDBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000075889608 280363033 /nfs/dbraw/zinc/36/30/33/280363033.db2.gz FDPURMBQYBJYJV-QGZVFWFLSA-N 0 3 319.405 1.934 20 5 DDBDHN COC[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000136626629 281619469 /nfs/dbraw/zinc/61/94/69/281619469.db2.gz LKGJSELISYXYMO-HUUCEWRRSA-N 0 3 319.361 1.715 20 5 DDBDHN CS[C@H](C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000572993125 304568423 /nfs/dbraw/zinc/56/84/23/304568423.db2.gz OLTHNFGDJRBJDI-SNVBAGLBSA-N 0 3 318.420 1.710 20 5 DDBDHN COCCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CC[C@H](C)C1 ZINC000362153845 300017852 /nfs/dbraw/zinc/01/78/52/300017852.db2.gz GIWMKFKJKPWSKO-KBPBESRZSA-N 0 3 323.393 1.894 20 5 DDBDHN CN1CCC(CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362443263 300064527 /nfs/dbraw/zinc/06/45/27/300064527.db2.gz XTVZXPADSNDPAV-UHFFFAOYSA-N 0 3 320.393 1.855 20 5 DDBDHN Cn1nccc1[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000363327062 300251716 /nfs/dbraw/zinc/25/17/16/300251716.db2.gz IZAHKWPCXLDNTJ-GFCCVEGCSA-N 0 3 304.354 1.404 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCCC[C@@H]2Cn2cccn2)c1 ZINC000369996421 301254993 /nfs/dbraw/zinc/25/49/93/301254993.db2.gz LWPDTHMDDJCBQP-CYBMUJFWSA-N 0 3 304.354 1.543 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CCCN(CC(C)C)CC2)c1[N+](=O)[O-] ZINC000370067031 301269865 /nfs/dbraw/zinc/26/98/65/301269865.db2.gz WIPZSVJFYJJEOY-UHFFFAOYSA-N 0 3 323.397 1.684 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CCCN(CC(C)C)CC2)c1[N+](=O)[O-] ZINC000370067031 301269869 /nfs/dbraw/zinc/26/98/69/301269869.db2.gz WIPZSVJFYJJEOY-UHFFFAOYSA-N 0 3 323.397 1.684 20 5 DDBDHN O=[N+]([O-])c1ccc2[nH]c(N[C@@H](CO)CN3CCCCC3)nc2c1 ZINC000295666507 304804814 /nfs/dbraw/zinc/80/48/14/304804814.db2.gz IZRJZOUTMDAKLG-LLVKDONJSA-N 0 3 319.365 1.730 20 5 DDBDHN COc1cnccc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000360255530 306979357 /nfs/dbraw/zinc/97/93/57/306979357.db2.gz BTQMVFNTNCYRMU-UHFFFAOYSA-N 0 3 315.333 1.720 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2CC[C@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000362254137 307015605 /nfs/dbraw/zinc/01/56/05/307015605.db2.gz BOCBYPWNTBCYJH-PWSUYJOCSA-N 0 3 321.381 1.437 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2CC[C@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000362254137 307015606 /nfs/dbraw/zinc/01/56/06/307015606.db2.gz BOCBYPWNTBCYJH-PWSUYJOCSA-N 0 3 321.381 1.437 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000367142501 307087105 /nfs/dbraw/zinc/08/71/05/307087105.db2.gz XKUSYUFGUVJORP-CHWSQXEVSA-N 0 3 307.350 1.115 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCCN([C@@H](C)CO)CC1 ZINC000373973119 307198767 /nfs/dbraw/zinc/19/87/67/307198767.db2.gz BBAQTIDEPAXKDX-ZDUSSCGKSA-N 0 3 323.393 1.492 20 5 DDBDHN Cc1cc(N2CCCN(CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000374221225 307204182 /nfs/dbraw/zinc/20/41/82/307204182.db2.gz VUFLQPNPVRIEEB-UHFFFAOYSA-N 0 3 306.410 1.977 20 5 DDBDHN CC(COC(=O)CCN(C)C(=O)OCc1ccccc1)[N+](=O)[O-] ZINC000496386870 307338795 /nfs/dbraw/zinc/33/87/95/307338795.db2.gz XIEGQKBGJRKKGN-LBPRGKRZSA-N 0 3 324.333 1.854 20 5 DDBDHN C[C@H]1COCCN1CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566571514 308057580 /nfs/dbraw/zinc/05/75/80/308057580.db2.gz DJCNXRKWUOOYRW-SWLSCSKDSA-N 0 3 305.378 1.892 20 5 DDBDHN COc1cc(C[NH2+]CCCc2cnn(C)n2)c([N+](=O)[O-])cc1[O-] ZINC000292825643 533875729 /nfs/dbraw/zinc/87/57/29/533875729.db2.gz AETJXXYVDOFRPQ-UHFFFAOYSA-N 0 3 321.337 1.160 20 5 DDBDHN C[C@H](NC[C@H](O)C1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294686976 533900570 /nfs/dbraw/zinc/90/05/70/533900570.db2.gz IJQJHJDDHTTYCH-BONVTDFDSA-N 0 3 309.366 1.615 20 5 DDBDHN C[C@@H]1NCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000417232139 534127618 /nfs/dbraw/zinc/12/76/18/534127618.db2.gz LZFFDIXVFZYAPM-RYUDHWBXSA-N 0 3 306.366 1.529 20 5 DDBDHN Cc1cc(CN)cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000457374534 534172054 /nfs/dbraw/zinc/17/20/54/534172054.db2.gz LQDPHXLHGMBTKF-UHFFFAOYSA-N 0 3 303.322 1.587 20 5 DDBDHN NC(=O)[C@@H]1CCCN(CCCNc2sccc2[N+](=O)[O-])C1 ZINC000302005400 534426413 /nfs/dbraw/zinc/42/64/13/534426413.db2.gz UONNHDRLQGKZFB-SNVBAGLBSA-N 0 3 312.395 1.656 20 5 DDBDHN CCOCC[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000444657232 528870367 /nfs/dbraw/zinc/87/03/67/528870367.db2.gz KBVXXSFWOBKWDQ-JSGCOSHPSA-N 0 3 324.381 1.264 20 5 DDBDHN CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000104530710 696620526 /nfs/dbraw/zinc/62/05/26/696620526.db2.gz NTZFQFIYKZMOBC-UHFFFAOYSA-N 0 3 324.337 1.917 20 5 DDBDHN COC[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000789384751 699383211 /nfs/dbraw/zinc/38/32/11/699383211.db2.gz ZQDOITRPNQAWHQ-ZNMIVQPWSA-N 0 3 310.350 1.412 20 5 DDBDHN CN(C)CCn1nnnc1S/C=C\c1ccc([N+](=O)[O-])o1 ZINC000789906760 699419059 /nfs/dbraw/zinc/41/90/59/699419059.db2.gz CMDAWXLDVSNVRV-YVMONPNESA-N 0 3 310.339 1.499 20 5 DDBDHN CN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801876302 700349815 /nfs/dbraw/zinc/34/98/15/700349815.db2.gz KNLBOQFONMSTAW-UHFFFAOYSA-N 0 3 310.329 1.484 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](CCO)c1cccs1 ZINC000754392087 700499602 /nfs/dbraw/zinc/49/96/02/700499602.db2.gz ZIIAQAHKYONEAK-GFCCVEGCSA-N 0 3 323.374 1.531 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)[C@H](C)C1 ZINC000761072087 700839263 /nfs/dbraw/zinc/83/92/63/700839263.db2.gz DPSALZQHGCTENT-CYBMUJFWSA-N 0 3 320.393 1.868 20 5 DDBDHN CC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000839726122 701798888 /nfs/dbraw/zinc/79/88/88/701798888.db2.gz MQUNQWXRHKLCGR-BZUAXINKSA-N 0 3 317.389 1.775 20 5 DDBDHN CC(COC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)[N+](=O)[O-] ZINC000813100119 702290281 /nfs/dbraw/zinc/29/02/81/702290281.db2.gz NDPLLZJLFCYPOI-YPMHNXCESA-N 0 3 321.333 1.142 20 5 DDBDHN Cc1cccc([C@H](CC(=O)OCC(C)[N+](=O)[O-])NC(N)=O)c1 ZINC000813102401 702290823 /nfs/dbraw/zinc/29/08/23/702290823.db2.gz QYDUGOPXSYZJOK-PWSUYJOCSA-N 0 3 309.322 1.303 20 5 DDBDHN CCCNC(=O)Nc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813103333 702291351 /nfs/dbraw/zinc/29/13/51/702291351.db2.gz OKUMRFSWSHCSLG-NSHDSACASA-N 0 3 323.349 1.969 20 5 DDBDHN CC(COC(=O)c1ccccc1N(C)C(=O)C1CC1)[N+](=O)[O-] ZINC000813105216 702293229 /nfs/dbraw/zinc/29/32/29/702293229.db2.gz KOKPIVDDVFHJOS-JTQLQIEISA-N 0 3 306.318 1.881 20 5 DDBDHN CC(COC(=O)CCC(=O)c1ccc2c(c1)OCCO2)[N+](=O)[O-] ZINC000813109295 702294886 /nfs/dbraw/zinc/29/48/86/702294886.db2.gz RDFSQNIILHBIJG-SNVBAGLBSA-N 0 3 323.301 1.629 20 5 DDBDHN CC(COC(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1)[N+](=O)[O-] ZINC000813111040 702297076 /nfs/dbraw/zinc/29/70/76/702297076.db2.gz AZMJYBCWMWOXLL-BDAKNGLRSA-N 0 3 319.310 1.196 20 5 DDBDHN CC(COC(=O)C1CCC(NC(=O)C(C)(C)C)CC1)[N+](=O)[O-] ZINC000813112717 702298224 /nfs/dbraw/zinc/29/82/24/702298224.db2.gz UBYAHUYCGSKKDK-VOMCLLRMSA-N 0 3 314.382 1.916 20 5 DDBDHN CC(COC(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1)[N+](=O)[O-] ZINC000813114461 702299367 /nfs/dbraw/zinc/29/93/67/702299367.db2.gz BVATWLNPRIFQBX-QZQSVVMZSA-N 0 3 312.366 1.622 20 5 DDBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCC(=O)NCC1CC1 ZINC000866336785 706676384 /nfs/dbraw/zinc/67/63/84/706676384.db2.gz MNIIQNVPCUHMSG-SNVBAGLBSA-N 0 3 309.341 1.781 20 5 DDBDHN CC(C)(CCc1noc(C[C@H]2CSCCN2)n1)[N+](=O)[O-] ZINC000843232766 702846720 /nfs/dbraw/zinc/84/67/20/702846720.db2.gz BULDXLUMLDSABB-VIFPVBQESA-N 0 3 300.384 1.305 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(C3(O)CC3)CC2)cc1 ZINC000844363118 703019902 /nfs/dbraw/zinc/01/99/02/703019902.db2.gz NLDZEQGUQAJKBH-HNNXBMFYSA-N 0 3 306.362 1.865 20 5 DDBDHN CN1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1(C)C ZINC000871157339 704233686 /nfs/dbraw/zinc/23/36/86/704233686.db2.gz LTKPCXCQNAHSMK-AWEZNQCLSA-N 0 3 321.377 1.571 20 5 DDBDHN Cc1nn(CN(C)CC2CN(C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000853553662 704267164 /nfs/dbraw/zinc/26/71/64/704267164.db2.gz RLGDQBYYCGYSGW-UHFFFAOYSA-N 0 3 304.354 1.099 20 5 DDBDHN C[C@@H]([N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000857766936 704622384 /nfs/dbraw/zinc/62/23/84/704622384.db2.gz YVEZGABAVZQPTF-JGVFFNPUSA-N 0 3 303.265 1.418 20 5 DDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823125434 705147735 /nfs/dbraw/zinc/14/77/35/705147735.db2.gz YZZZIJNEVDBXNO-CYBMUJFWSA-N 0 3 315.414 1.391 20 5 DDBDHN COc1cc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)ccc1[N+](=O)[O-] ZINC000874840449 705195587 /nfs/dbraw/zinc/19/55/87/705195587.db2.gz OBJVCMICRZAPKI-QWHCGFSZSA-N 0 3 319.361 1.912 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@H](n3ccnn3)C2)cc1 ZINC000823468834 705250308 /nfs/dbraw/zinc/25/03/08/705250308.db2.gz LIBKLMXKOFIXLQ-LSDHHAIUSA-N 0 3 317.349 1.557 20 5 DDBDHN COCCN1CCC[C@H]1COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000861037749 705357705 /nfs/dbraw/zinc/35/77/05/705357705.db2.gz ILLOXQZQBHMTKN-LBPRGKRZSA-N 0 3 302.371 1.476 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CCN1CCCCC1 ZINC000824115136 705378442 /nfs/dbraw/zinc/37/84/42/705378442.db2.gz KOLSRXJXNVYTIB-UHFFFAOYSA-N 0 3 309.370 1.044 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000827137222 705938013 /nfs/dbraw/zinc/93/80/13/705938013.db2.gz VHAHOYQPYMMQOU-RBSFLKMASA-N 0 3 303.362 1.909 20 5 DDBDHN O=C1NCCC12CCN(Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000877782925 706209992 /nfs/dbraw/zinc/20/99/92/706209992.db2.gz VFVGDAQFLSEBMQ-UHFFFAOYSA-N 0 3 307.325 1.836 20 5 DDBDHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000897683207 708418743 /nfs/dbraw/zinc/41/87/43/708418743.db2.gz ATSMIWYWIBSXOU-ABAIWWIYSA-N 0 3 316.361 1.808 20 5 DDBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCN(C)CCO ZINC000912605533 713044931 /nfs/dbraw/zinc/04/49/31/713044931.db2.gz YTUDVBNAGZEWGA-SEYXRHQNSA-N 0 3 321.377 1.381 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(C(=O)NCCN(C)CCO)cc1Cl ZINC000899738862 709184694 /nfs/dbraw/zinc/18/46/94/709184694.db2.gz OJOQWQQPIDYBNL-UHFFFAOYSA-N 0 3 315.757 1.211 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1C ZINC000928441883 713197462 /nfs/dbraw/zinc/19/74/62/713197462.db2.gz PTMZBRMUWIOEHC-QMTHXVAHSA-N 0 3 316.361 1.827 20 5 DDBDHN COc1cc(C(=O)N[C@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000928457576 713205437 /nfs/dbraw/zinc/20/54/37/713205437.db2.gz XJIMFBWRCBCTSG-KOLCDFICSA-N 0 3 323.349 1.434 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000928459992 713206315 /nfs/dbraw/zinc/20/63/15/713206315.db2.gz YYGSZSDOSAXUHI-MFKMUULPSA-N 0 3 317.349 1.153 20 5 DDBDHN Cn1c2ccccc2c(N2CCN3CC[C@H]2C3)c([N+](=O)[O-])c1=O ZINC000894024412 710932819 /nfs/dbraw/zinc/93/28/19/710932819.db2.gz YFWWETQRGNZUKY-NSHDSACASA-N 0 3 314.345 1.341 20 5 DDBDHN COc1cc([C@H](C)NC[C@H]2CN(C)CCN2C)cc([N+](=O)[O-])c1 ZINC000903091854 711029735 /nfs/dbraw/zinc/02/97/35/711029735.db2.gz BMJJVKYGMXKSJU-WFASDCNBSA-N 0 3 322.409 1.500 20 5 DDBDHN COc1cc([C@@H](C)NCCN2CCCC2=O)cc([N+](=O)[O-])c1 ZINC000903193082 711060212 /nfs/dbraw/zinc/06/02/12/711060212.db2.gz CCYLYXDLJHJXHW-LLVKDONJSA-N 0 3 307.350 1.876 20 5 DDBDHN CN1CCC(N(CCO)C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000911934651 711075596 /nfs/dbraw/zinc/07/55/96/711075596.db2.gz JZQZLEMRZZIMTM-UHFFFAOYSA-N 0 3 313.379 1.185 20 5 DDBDHN COc1c([O-])ccc(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000895844011 711623501 /nfs/dbraw/zinc/62/35/01/711623501.db2.gz QUPOVPYPHJETEN-WCQYABFASA-N 0 3 321.377 1.835 20 5 DDBDHN COc1c([O-])ccc(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000895844011 711623502 /nfs/dbraw/zinc/62/35/02/711623502.db2.gz QUPOVPYPHJETEN-WCQYABFASA-N 0 3 321.377 1.835 20 5 DDBDHN Cn1nnc2c1C[C@H](NCc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000922994823 714207378 /nfs/dbraw/zinc/20/73/78/714207378.db2.gz SQTVJXUTSAYQAW-SNVBAGLBSA-N 0 3 305.313 1.510 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(O)(C2CCC2)CC1 ZINC000932813087 714418273 /nfs/dbraw/zinc/41/82/73/714418273.db2.gz BUQAUQOKAHMGDF-UHFFFAOYSA-N 0 3 308.382 1.727 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933749724 714662966 /nfs/dbraw/zinc/66/29/66/714662966.db2.gz FWCJIWXQLOTYKU-LRDDRELGSA-N 0 3 319.361 1.691 20 5 DDBDHN Cc1ccnc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)n1 ZINC001126468407 740281491 /nfs/dbraw/zinc/28/14/91/740281491.db2.gz USAFOWBCOLAHEF-UHFFFAOYSA-N 0 3 315.333 1.213 20 5 DDBDHN Cc1nccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)n1 ZINC001151306855 743785402 /nfs/dbraw/zinc/78/54/02/743785402.db2.gz UYQKOJQLMQWUBV-UHFFFAOYSA-N 0 3 315.333 1.213 20 5 DDBDHN Cc1cccnc1[C@@H](C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC001198640497 747560122 /nfs/dbraw/zinc/56/01/22/747560122.db2.gz DIPKPHGZUVWYEO-GFCCVEGCSA-N 0 3 302.334 1.811 20 5 DDBDHN COc1ccc(OC)c(C(=O)CN[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168959411 762155123 /nfs/dbraw/zinc/15/51/23/762155123.db2.gz VRRYJOJCFPBUAR-VXGBXAGGSA-N 0 3 322.361 1.922 20 5 DDBDHN C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@@H]1CNCCO1 ZINC001170570923 768192398 /nfs/dbraw/zinc/19/23/98/768192398.db2.gz OLUSDMDTPCGNAC-CBAPKCEASA-N 0 3 309.351 1.388 20 5 DDBDHN CCCN(C)CC(=O)NCCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001094517194 775972645 /nfs/dbraw/zinc/97/26/45/775972645.db2.gz FJTBBOHEPZBSSC-UHFFFAOYSA-N 0 3 323.397 1.558 20 5 DDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2[C@H](C1)OCCN2C ZINC001173220965 777053403 /nfs/dbraw/zinc/05/34/03/777053403.db2.gz DTOUANAQJFLNGQ-MAZHCROVSA-N 0 3 305.378 1.541 20 5 DDBDHN CN(C)C1(C(=O)N(C)CCNc2ccc([N+](=O)[O-])cn2)CCC1 ZINC001101811124 777550936 /nfs/dbraw/zinc/55/09/36/777550936.db2.gz LQGYBWTWCLAREJ-UHFFFAOYSA-N 0 3 321.381 1.344 20 5 DDBDHN CN(C)CCONC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001118762459 781235723 /nfs/dbraw/zinc/23/57/23/781235723.db2.gz BYPMDBYVPNUOMM-UHFFFAOYSA-N 0 3 319.321 1.004 20 5 DDBDHN CC/C=C(\C)C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001155293233 861938987 /nfs/dbraw/zinc/93/89/87/861938987.db2.gz ZELPUUMNQLALDZ-IZZDOVSWSA-N 0 3 309.370 1.281 20 5 DDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001121939124 858640399 /nfs/dbraw/zinc/64/03/99/858640399.db2.gz ZYXSDKHFOCUETM-IDTSFGKNSA-N 0 3 303.362 1.907 20 5 DDBDHN CC(C)[C@H](C(=O)OCC(C)[N+](=O)[O-])N1Cc2ccccc2C1=O ZINC001123042250 859068169 /nfs/dbraw/zinc/06/81/69/859068169.db2.gz KVBOPUPVNXJEAU-BXUZGUMPSA-N 0 3 320.345 1.875 20 5 DDBDHN Cc1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001124229329 859640573 /nfs/dbraw/zinc/64/05/73/859640573.db2.gz NGPRHDIGBVSDLS-UHFFFAOYSA-N 0 3 303.322 1.146 20 5 DDBDHN Cn1cc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)cn1 ZINC001154510467 861159612 /nfs/dbraw/zinc/15/96/12/861159612.db2.gz XOOHTAHSRMNAAX-UHFFFAOYSA-N 0 3 323.378 1.300 20 5 DDBDHN CN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001158366057 864606170 /nfs/dbraw/zinc/60/61/70/864606170.db2.gz VFNZCCVFZMSXAT-VIFPVBQESA-N 0 3 310.329 1.530 20 5 DDBDHN C[C@H](Nc1ncnc2cccc([N+](=O)[O-])c21)[C@@H]1CNCCO1 ZINC001159502430 865360865 /nfs/dbraw/zinc/36/08/65/865360865.db2.gz MXEPXAAQTURTNR-CABZTGNLSA-N 0 3 303.322 1.327 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC001322508681 868212082 /nfs/dbraw/zinc/21/20/82/868212082.db2.gz DSCBPRSDGRWPMN-BONVTDFDSA-N 0 3 318.377 1.849 20 5 DDBDHN CN(C)C1CN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)C1 ZINC001163942767 868814139 /nfs/dbraw/zinc/81/41/39/868814139.db2.gz OIRCUXGHPGNKMA-UHFFFAOYSA-N 0 3 317.324 1.941 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CC2)CNCCO3)c1 ZINC001342710420 872346887 /nfs/dbraw/zinc/34/68/87/872346887.db2.gz DTGQIIKGAUUPAC-UHFFFAOYSA-N 0 3 319.361 1.498 20 5 DDBDHN CN(CCCNC(=O)c1cn[nH]c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001234368253 887910582 /nfs/dbraw/zinc/91/05/82/887910582.db2.gz BRDHZRZYYLHXOF-UHFFFAOYSA-N 0 3 317.349 1.570 20 5 DDBDHN COc1ccc(NC(=O)N2CCN3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000272809073 210211249 /nfs/dbraw/zinc/21/12/49/210211249.db2.gz IWSBTQUUXYHOHR-LBPRGKRZSA-N 0 3 320.349 1.915 20 5 DDBDHN Cc1cc(NCC2(CO)COC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181532700 199312912 /nfs/dbraw/zinc/31/29/12/199312912.db2.gz RNOBTHFZFGRFQV-UHFFFAOYSA-N 0 3 303.318 1.872 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(CO)CC1 ZINC000181549331 199316304 /nfs/dbraw/zinc/31/63/04/199316304.db2.gz CGORVJRVIPLWOH-CYBMUJFWSA-N 0 3 310.350 1.039 20 5 DDBDHN CN1CC[C@@]2(CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292406069 529801282 /nfs/dbraw/zinc/80/12/82/529801282.db2.gz ZENBIKWCNXTRFN-MRXNPFEDSA-N 0 3 303.362 1.692 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000299331512 530058004 /nfs/dbraw/zinc/05/80/04/530058004.db2.gz ZKFYKYRDCFOUES-LLVKDONJSA-N 0 3 302.334 1.900 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000330860125 232119945 /nfs/dbraw/zinc/11/99/45/232119945.db2.gz VWMOXXFDSLBUBO-HZSPNIEDSA-N 0 3 323.393 1.359 20 5 DDBDHN Cc1c(CNC(=O)N[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000616200570 362584217 /nfs/dbraw/zinc/58/42/17/362584217.db2.gz JANWMVWOLJUKHG-ZDUSSCGKSA-N 0 3 306.366 1.797 20 5 DDBDHN COC(=O)COc1ccc(CN[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000342304959 282547171 /nfs/dbraw/zinc/54/71/71/282547171.db2.gz FXWIOZYJTRCKQC-GFCCVEGCSA-N 0 3 324.333 1.415 20 5 DDBDHN CCN1CCC(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000029606904 352242294 /nfs/dbraw/zinc/24/22/94/352242294.db2.gz IUJPOCASNZJJIZ-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN CCN1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000028933545 352233663 /nfs/dbraw/zinc/23/36/63/352233663.db2.gz XWMDLPLNWVEGLQ-UHFFFAOYSA-N 0 3 307.350 1.574 20 5 DDBDHN CCN1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000042309689 352334216 /nfs/dbraw/zinc/33/42/16/352334216.db2.gz QXSDXFZLSXVKOR-UHFFFAOYSA-N 0 3 323.397 1.070 20 5 DDBDHN Cc1sc(C(=O)Nc2cnn(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000061635272 352892089 /nfs/dbraw/zinc/89/20/89/352892089.db2.gz PLWTYURQAWFFKV-UHFFFAOYSA-N 0 3 323.378 1.975 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CCO)C1CC1 ZINC000067965662 353077655 /nfs/dbraw/zinc/07/76/55/353077655.db2.gz MJJDORVPDYQEGP-UHFFFAOYSA-N 0 3 307.350 1.689 20 5 DDBDHN COCCN1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000069529207 353165706 /nfs/dbraw/zinc/16/57/06/353165706.db2.gz WRAKFHNQQNVCCX-AWEZNQCLSA-N 0 3 307.350 1.435 20 5 DDBDHN CNc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000073993039 353283562 /nfs/dbraw/zinc/28/35/62/353283562.db2.gz ZJMSLXWWINAYMP-OLZOCXBDSA-N 0 3 318.377 1.945 20 5 DDBDHN COCCN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000174808640 198387647 /nfs/dbraw/zinc/38/76/47/198387647.db2.gz HSSWNIULOGTAOL-UHFFFAOYSA-N 0 3 304.350 1.940 20 5 DDBDHN CCOC(=O)CC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000161896678 354244804 /nfs/dbraw/zinc/24/48/04/354244804.db2.gz OOZDCDBJHSJWGU-ZDUSSCGKSA-N 0 3 324.381 1.847 20 5 DDBDHN CCN(CCN1CCCCCC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000346289304 283056145 /nfs/dbraw/zinc/05/61/45/283056145.db2.gz GOWZDFSJPHOROI-UHFFFAOYSA-N 0 3 323.397 1.516 20 5 DDBDHN COC(=O)c1cc(C(=O)N2CCNCC2(C)C)cc([N+](=O)[O-])c1 ZINC000592473495 355592599 /nfs/dbraw/zinc/59/25/99/355592599.db2.gz XPJKWLDHTZOXHZ-UHFFFAOYSA-N 0 3 321.333 1.205 20 5 DDBDHN CC1(OCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CNC1 ZINC000592558380 355628837 /nfs/dbraw/zinc/62/88/37/355628837.db2.gz KUSACVICUDTVSD-UHFFFAOYSA-N 0 3 319.361 1.464 20 5 DDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000346715501 283144904 /nfs/dbraw/zinc/14/49/04/283144904.db2.gz AVVHTWHGOJAULP-GFCCVEGCSA-N 0 3 324.381 1.116 20 5 DDBDHN C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000594503447 356238306 /nfs/dbraw/zinc/23/83/06/356238306.db2.gz WPPDNACTMDYSLI-PJODQICGSA-N 0 3 305.378 1.891 20 5 DDBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594534253 356244628 /nfs/dbraw/zinc/24/46/28/356244628.db2.gz CTWLINVVEWTPMW-WDEREUQCSA-N 0 3 324.312 1.017 20 5 DDBDHN CC(C)NCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595924166 356706093 /nfs/dbraw/zinc/70/60/93/356706093.db2.gz HGMNJLKEEALEFS-NSHDSACASA-N 0 3 307.354 1.001 20 5 DDBDHN CCCN1CC[C@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000598343860 357546976 /nfs/dbraw/zinc/54/69/76/357546976.db2.gz WYEAXESMVXJHCR-JTQLQIEISA-N 0 3 309.370 1.655 20 5 DDBDHN C[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598648528 357669078 /nfs/dbraw/zinc/66/90/78/357669078.db2.gz UCQWXYUOKGHQGN-MGPQQGTHSA-N 0 3 324.377 1.285 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](O)[C@@H]1CCCO1 ZINC000599067273 357806672 /nfs/dbraw/zinc/80/66/72/357806672.db2.gz YRUNIZCAOYPHDX-GDLCADMTSA-N 0 3 310.350 1.794 20 5 DDBDHN Cc1cc(NCCN2CC[C@@H](O)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000599175439 357840488 /nfs/dbraw/zinc/84/04/88/357840488.db2.gz BFYMKNIGCUSCTC-GFCCVEGCSA-N 0 3 316.361 1.930 20 5 DDBDHN CC[C@@H]1CN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000599178095 357841003 /nfs/dbraw/zinc/84/10/03/357841003.db2.gz ABNNXTCCPOOBDU-GXSJLCMTSA-N 0 3 308.338 1.353 20 5 DDBDHN Cc1cc(NCCN2CC[C@H](O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000599200128 357847818 /nfs/dbraw/zinc/84/78/18/357847818.db2.gz XMDSSYMDQMDURJ-ZDUSSCGKSA-N 0 3 316.361 1.352 20 5 DDBDHN O=c1[nH]cccc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600760523 358310394 /nfs/dbraw/zinc/31/03/94/358310394.db2.gz VIKQNKFXYWDWPV-GFCCVEGCSA-N 0 3 319.317 1.225 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3COCCN3)o2)cc1 ZINC000600679077 358281170 /nfs/dbraw/zinc/28/11/70/358281170.db2.gz ZATHKFXMNFPVTQ-CYBMUJFWSA-N 0 3 317.345 1.933 20 5 DDBDHN CN(C)CCCS(=O)(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000601358385 358514418 /nfs/dbraw/zinc/51/44/18/358514418.db2.gz QBNIVIDGOROVHB-UHFFFAOYSA-N 0 3 315.395 1.008 20 5 DDBDHN Cc1cn(C[C@@]2(O)CCN(Cc3ccccc3)C2)nc1[N+](=O)[O-] ZINC000601956013 358752361 /nfs/dbraw/zinc/75/23/61/358752361.db2.gz CUHUQJRFIBYCII-MRXNPFEDSA-N 0 3 316.361 1.737 20 5 DDBDHN COCCN(C)CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602531676 359030408 /nfs/dbraw/zinc/03/04/08/359030408.db2.gz WNTIUNSZOBLIFK-UHFFFAOYSA-N 0 3 308.338 1.404 20 5 DDBDHN Cc1ccc(CN2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000602729682 359153386 /nfs/dbraw/zinc/15/33/86/359153386.db2.gz AZVKLXPMRINQKM-IYBDPMFKSA-N 0 3 317.345 1.388 20 5 DDBDHN O=[N+]([O-])c1ncccc1N1CCC(CN2CCOCC2)CC1 ZINC000603862430 359689271 /nfs/dbraw/zinc/68/92/71/359689271.db2.gz TYBSDYQRLOFRGQ-UHFFFAOYSA-N 0 3 306.366 1.538 20 5 DDBDHN C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)CN1 ZINC000237639800 202314062 /nfs/dbraw/zinc/31/40/62/202314062.db2.gz PYIISFVIGGMCLO-BDAKNGLRSA-N 0 3 303.322 1.294 20 5 DDBDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000189428725 200399467 /nfs/dbraw/zinc/39/94/67/200399467.db2.gz UJGNDYMAHXQACJ-ZDUSSCGKSA-N 0 3 307.394 1.872 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(CCN(C)C)c2)c1 ZINC000610227382 360393050 /nfs/dbraw/zinc/39/30/50/360393050.db2.gz OXPNMIBTKGROMO-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN CC[C@@H](CN1CCCC1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000609851223 360356707 /nfs/dbraw/zinc/35/67/07/360356707.db2.gz WTPVTQKFJHQJJA-ZDUSSCGKSA-N 0 3 321.377 1.964 20 5 DDBDHN C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000359029748 299311731 /nfs/dbraw/zinc/31/17/31/299311731.db2.gz SOWIHTXJBXYJCS-VXGBXAGGSA-N 0 3 321.381 1.796 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000611234726 360671353 /nfs/dbraw/zinc/67/13/53/360671353.db2.gz NZOKIHOYOYQBBC-LLVKDONJSA-N 0 3 307.354 1.029 20 5 DDBDHN CC1CCN(CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000611525516 360747095 /nfs/dbraw/zinc/74/70/95/360747095.db2.gz IMSVORYQKPFLAR-UHFFFAOYSA-N 0 3 308.382 1.813 20 5 DDBDHN O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CCN(CC2CC2)C1 ZINC000611599958 360775262 /nfs/dbraw/zinc/77/52/62/360775262.db2.gz XIGYIXBDSCWHHY-NSHDSACASA-N 0 3 305.338 1.018 20 5 DDBDHN CN1CC=C(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000271898636 209306106 /nfs/dbraw/zinc/30/61/06/209306106.db2.gz GIVHSAGPSQTZPJ-UHFFFAOYSA-N 0 3 319.361 1.742 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CCCCCC1 ZINC000193288692 201020285 /nfs/dbraw/zinc/02/02/85/201020285.db2.gz COQWEUICILSSGI-UHFFFAOYSA-N 0 3 306.366 1.904 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(NCCCN2CCN(C)CC2)n1 ZINC000359110915 299328418 /nfs/dbraw/zinc/32/84/18/299328418.db2.gz TYPRLJDRPUKVRL-UHFFFAOYSA-N 0 3 307.398 1.656 20 5 DDBDHN C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000275155028 212155257 /nfs/dbraw/zinc/15/52/57/212155257.db2.gz HNELKNZWZWWHPF-PWSUYJOCSA-N 0 3 306.322 1.408 20 5 DDBDHN C[C@H](O)C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000264731300 204110459 /nfs/dbraw/zinc/11/04/59/204110459.db2.gz POJNKIGCSORZQE-WFASDCNBSA-N 0 3 324.377 1.427 20 5 DDBDHN COC(=O)CC[C@@H](N)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000288507482 220186419 /nfs/dbraw/zinc/18/64/19/220186419.db2.gz BQLGDWCWDQEJKD-CMPLNLGQSA-N 0 3 323.349 1.361 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000440800001 229835766 /nfs/dbraw/zinc/83/57/66/229835766.db2.gz DFSJXNLOPOAKKV-WDEREUQCSA-N 0 3 313.379 1.180 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCCNCC1 ZINC000422705476 284666222 /nfs/dbraw/zinc/66/62/22/284666222.db2.gz CENNOGFATROOHU-UHFFFAOYSA-N 0 3 300.318 1.579 20 5 DDBDHN C[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(C)C ZINC000339056439 250272442 /nfs/dbraw/zinc/27/24/42/250272442.db2.gz LLYISNUIKUVIPG-LLVKDONJSA-N 0 3 317.349 1.460 20 5 DDBDHN CC(COC(=O)CN(C)C(=O)OCc1ccccc1)[N+](=O)[O-] ZINC000495610822 307311650 /nfs/dbraw/zinc/31/16/50/307311650.db2.gz JMCIGSGGNGHVBD-NSHDSACASA-N 0 3 310.306 1.463 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000341009071 251333669 /nfs/dbraw/zinc/33/36/69/251333669.db2.gz AHJGRHFAVIKMMT-YPMHNXCESA-N 0 3 306.366 1.877 20 5 DDBDHN CCCN(CCN1CCN(CC)CC1)c1ncccc1[N+](=O)[O-] ZINC000341022056 251342108 /nfs/dbraw/zinc/34/21/08/251342108.db2.gz ACIATEAICPPQIP-UHFFFAOYSA-N 0 3 321.425 1.844 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000567796240 304243040 /nfs/dbraw/zinc/24/30/40/304243040.db2.gz MDQJISUIVLKWBF-INWMFGNUSA-N 0 3 322.361 1.445 20 5 DDBDHN CNc1ccc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000568079227 304267144 /nfs/dbraw/zinc/26/71/44/304267144.db2.gz KXTWETDKOPYWJZ-SWLSCSKDSA-N 0 3 318.377 1.803 20 5 DDBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1N(C)C ZINC000413204626 224154278 /nfs/dbraw/zinc/15/42/78/224154278.db2.gz JGXOEODFTULHRM-MNOVXSKESA-N 0 3 300.359 1.611 20 5 DDBDHN COc1ccc(CNC(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000417197832 533597040 /nfs/dbraw/zinc/59/70/40/533597040.db2.gz QMJNJTQOFWMLFJ-UHFFFAOYSA-N 0 3 308.338 1.108 20 5 DDBDHN Cc1n[nH]c(C(=O)NCCN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000299516980 533665375 /nfs/dbraw/zinc/66/53/75/533665375.db2.gz HZJMFCRGQQDFSE-UHFFFAOYSA-N 0 3 317.349 1.488 20 5 DDBDHN C[C@@H]1CCCCN1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000068121399 406619020 /nfs/dbraw/zinc/61/90/20/406619020.db2.gz YXKMTMHHGIWMSV-SNVBAGLBSA-N 0 3 324.356 1.920 20 5 DDBDHN CC[C@H](NC[C@@H](O)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000089515126 407137883 /nfs/dbraw/zinc/13/78/83/407137883.db2.gz DUEYZMVZBTYISY-CABCVRRESA-N 0 3 321.377 1.619 20 5 DDBDHN CCC[NH2+]CC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000054266455 407181671 /nfs/dbraw/zinc/18/16/71/407181671.db2.gz DWYVEKXRGMKTQD-UHFFFAOYSA-N 0 3 315.395 1.490 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N(C)C2CC2)c1 ZINC000057701191 407217006 /nfs/dbraw/zinc/21/70/06/407217006.db2.gz QLMTWQWNYPKIAH-JTQLQIEISA-N 0 3 307.350 1.816 20 5 DDBDHN COc1cc(C(=O)NC[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000108339284 407384639 /nfs/dbraw/zinc/38/46/39/407384639.db2.gz JKWZVHJSGZOIHU-LLVKDONJSA-N 0 3 307.350 1.675 20 5 DDBDHN C[C@H](NCCn1cccn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000112548133 407432161 /nfs/dbraw/zinc/43/21/61/407432161.db2.gz JNXAVZLTFCRBLY-NSHDSACASA-N 0 3 303.322 1.408 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2C[C@H](O)c2ccco2)n1 ZINC000151792884 407498964 /nfs/dbraw/zinc/49/89/64/407498964.db2.gz OGPODFUSTUFHKG-STQMWFEESA-N 0 3 320.349 1.972 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c1[N+](=O)[O-] ZINC000185774987 407499891 /nfs/dbraw/zinc/49/98/91/407499891.db2.gz AQKWFDRVPVZNHT-VHSXEESVSA-N 0 3 307.354 1.189 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c1[N+](=O)[O-] ZINC000185774987 407499897 /nfs/dbraw/zinc/49/98/97/407499897.db2.gz AQKWFDRVPVZNHT-VHSXEESVSA-N 0 3 307.354 1.189 20 5 DDBDHN C[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCN(C)CC1 ZINC000127716783 407457878 /nfs/dbraw/zinc/45/78/78/407457878.db2.gz NRILAAWMYZHLJG-KGLIPLIRSA-N 0 3 306.410 1.881 20 5 DDBDHN Cc1c(CN2CCNC[C@H]2c2nccn2C)cccc1[N+](=O)[O-] ZINC000261665610 407572967 /nfs/dbraw/zinc/57/29/67/407572967.db2.gz BJJSLQQJLSWCIE-HNNXBMFYSA-N 0 3 315.377 1.783 20 5 DDBDHN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCOC1 ZINC000128579284 407550135 /nfs/dbraw/zinc/55/01/35/407550135.db2.gz XRYLBFMZEALRGU-LLVKDONJSA-N 0 3 311.313 1.783 20 5 DDBDHN NC(=O)CCC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271280787 407613152 /nfs/dbraw/zinc/61/31/52/407613152.db2.gz ZKMNKHIWDMAMAP-UHFFFAOYSA-N 0 3 321.377 1.951 20 5 DDBDHN O=C(C[C@@H]1CSCCN1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000238053896 407877502 /nfs/dbraw/zinc/87/75/02/407877502.db2.gz FUIKBDKQOMONRY-GFCCVEGCSA-N 0 3 324.406 1.218 20 5 DDBDHN C[C@H]1NCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000262774907 407924486 /nfs/dbraw/zinc/92/44/86/407924486.db2.gz KQSGYQVXJGYYBE-GHMZBOCLSA-N 0 3 309.391 1.896 20 5 DDBDHN CNC(=O)CC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000175031302 408031955 /nfs/dbraw/zinc/03/19/55/408031955.db2.gz PQZNCMDGCQIKJT-UHFFFAOYSA-N 0 3 321.377 1.822 20 5 DDBDHN O=C(C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1)N1CCCC1 ZINC000174813734 407992179 /nfs/dbraw/zinc/99/21/79/407992179.db2.gz YOOOADHESIWYDT-UHFFFAOYSA-N 0 3 321.381 1.126 20 5 DDBDHN C[C@H]1CCC[C@H](CO)N1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182220784 408098711 /nfs/dbraw/zinc/09/87/11/408098711.db2.gz DQGXXAUHODJIDV-MJBXVCDLSA-N 0 3 324.377 1.570 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246524874 408282625 /nfs/dbraw/zinc/28/26/25/408282625.db2.gz WAWRXJKWWOFGMD-GHMZBOCLSA-N 0 3 323.397 1.731 20 5 DDBDHN COCCN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000176197893 408307830 /nfs/dbraw/zinc/30/78/30/408307830.db2.gz LAUOAUXBQBVHMW-UHFFFAOYSA-N 0 3 322.365 1.018 20 5 DDBDHN CC(C)(C)N(CCCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000131375857 162012950 /nfs/dbraw/zinc/01/29/50/162012950.db2.gz HQRNVLJCKMHXRI-UHFFFAOYSA-N 0 3 309.366 1.950 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000274427202 408402272 /nfs/dbraw/zinc/40/22/72/408402272.db2.gz FIPJTARBIVLSKI-ZDUSSCGKSA-N 0 3 323.397 1.479 20 5 DDBDHN COCCOCCOCCCNCc1ccc([N+](=O)[O-])cc1 ZINC000274444709 408409663 /nfs/dbraw/zinc/40/96/63/408409663.db2.gz VESNCUQPYPFKHZ-UHFFFAOYSA-N 0 3 312.366 1.754 20 5 DDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000274543559 408444559 /nfs/dbraw/zinc/44/45/59/408444559.db2.gz UUUKGIOXRAHXEU-HZMBPMFUSA-N 0 3 306.366 1.589 20 5 DDBDHN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000178207284 408787430 /nfs/dbraw/zinc/78/74/30/408787430.db2.gz FGMBNLOYUKQBJJ-NSHDSACASA-N 0 3 307.350 1.938 20 5 DDBDHN O=C(NCC1CCN(CCO)CC1)c1csc([N+](=O)[O-])c1 ZINC000178297774 408800126 /nfs/dbraw/zinc/80/01/26/408800126.db2.gz DFILTEQLQJBFKV-UHFFFAOYSA-N 0 3 313.379 1.090 20 5 DDBDHN COCCN(CCN(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000163102399 408758996 /nfs/dbraw/zinc/75/89/96/408758996.db2.gz GFOPVVVKOSDLBT-UHFFFAOYSA-N 0 3 324.381 1.945 20 5 DDBDHN COC(=O)c1ccc(OC[C@H](O)CN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000290798887 408834637 /nfs/dbraw/zinc/83/46/37/408834637.db2.gz PIGADPSQTIYVMJ-GFCCVEGCSA-N 0 3 324.333 1.215 20 5 DDBDHN COC(=O)c1cnc(N2CC[C@H]3CC[C@@H](C2)N3C)c([N+](=O)[O-])c1 ZINC000276775818 408896070 /nfs/dbraw/zinc/89/60/70/408896070.db2.gz NTCYXVDWVMFVRH-NEPJUHHUSA-N 0 3 320.349 1.449 20 5 DDBDHN Cc1nn(C)c(C(=O)NCC(C)(C)N2CCCCC2)c1[N+](=O)[O-] ZINC000194487673 163285717 /nfs/dbraw/zinc/28/57/17/163285717.db2.gz NQYLWJZQXOOMLX-UHFFFAOYSA-N 0 3 323.397 1.631 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CCN(C)C3)C2)c1 ZINC000292053773 408970588 /nfs/dbraw/zinc/97/05/88/408970588.db2.gz AEOWKPKPEGDIFX-INIZCTEOSA-N 0 3 319.361 1.771 20 5 DDBDHN COCCN1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000286412625 408980722 /nfs/dbraw/zinc/98/07/22/408980722.db2.gz AUYSGCATKYGCIS-VIFPVBQESA-N 0 3 323.378 1.732 20 5 DDBDHN CN(C)C/C=C/C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277904308 409032969 /nfs/dbraw/zinc/03/29/69/409032969.db2.gz GKOLCNFNEVGFJY-ONEGZZNKSA-N 0 3 303.322 1.205 20 5 DDBDHN CN(C)C(=O)C1(NCCn2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000295163927 409350466 /nfs/dbraw/zinc/35/04/66/409350466.db2.gz PCJFOLZZJKHLOI-UHFFFAOYSA-N 0 3 309.370 1.172 20 5 DDBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(C)CO ZINC000295164058 409351046 /nfs/dbraw/zinc/35/10/46/409351046.db2.gz FRTXTPVWMKNYMN-CYBMUJFWSA-N 0 3 312.366 1.285 20 5 DDBDHN COc1ccc(CNCC2([S@](C)=O)CCC2)cc1[N+](=O)[O-] ZINC000280687427 409409385 /nfs/dbraw/zinc/40/93/85/409409385.db2.gz RGNGDYFEFLCBPG-NRFANRHFSA-N 0 3 312.391 1.994 20 5 DDBDHN Cc1ccc(C(=O)Nc2ccn(CCN(C)C)n2)cc1[N+](=O)[O-] ZINC000303010023 409523013 /nfs/dbraw/zinc/52/30/13/409523013.db2.gz JWAJJRBUYZZJSA-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN CCN(CCN1CCCCCC1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000331602539 409682615 /nfs/dbraw/zinc/68/26/15/409682615.db2.gz ZGGKEVZRDXFSIB-UHFFFAOYSA-N 0 3 323.397 1.964 20 5 DDBDHN CCN(CCN1CCCCCC1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000331602539 409682621 /nfs/dbraw/zinc/68/26/21/409682621.db2.gz ZGGKEVZRDXFSIB-UHFFFAOYSA-N 0 3 323.397 1.964 20 5 DDBDHN Cc1nc([C@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)n[nH]1 ZINC000349372598 409813269 /nfs/dbraw/zinc/81/32/69/409813269.db2.gz MWBFIJVSYGSFIE-NSHDSACASA-N 0 3 305.342 1.097 20 5 DDBDHN Cc1n[nH]c([C@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000349372598 409813276 /nfs/dbraw/zinc/81/32/76/409813276.db2.gz MWBFIJVSYGSFIE-NSHDSACASA-N 0 3 305.342 1.097 20 5 DDBDHN Cc1nnc([C@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)[nH]1 ZINC000349372598 409813283 /nfs/dbraw/zinc/81/32/83/409813283.db2.gz MWBFIJVSYGSFIE-NSHDSACASA-N 0 3 305.342 1.097 20 5 DDBDHN C[C@@H]1C[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CN1C1CC1 ZINC000357513645 410078705 /nfs/dbraw/zinc/07/87/05/410078705.db2.gz NPRREUVXTCNYLQ-RKDXNWHRSA-N 0 3 305.338 1.126 20 5 DDBDHN CCN1CC[C@@H]2OCCN(Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000339399025 410161185 /nfs/dbraw/zinc/16/11/85/410161185.db2.gz YNBATDFBURBILB-CVEARBPZSA-N 0 3 305.378 1.890 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCN1C ZINC000332695033 410218685 /nfs/dbraw/zinc/21/86/85/410218685.db2.gz RJERJTBNEAAPTB-MWLCHTKSSA-N 0 3 321.333 1.536 20 5 DDBDHN CCN(CC)CCn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000357739708 410220098 /nfs/dbraw/zinc/22/00/98/410220098.db2.gz ISFQCFMAXWNYMQ-UHFFFAOYSA-N 0 3 306.322 1.753 20 5 DDBDHN CN(CCN1CCCC1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000343454305 410464194 /nfs/dbraw/zinc/46/41/94/410464194.db2.gz AFLKRQIBRXLMLU-UHFFFAOYSA-N 0 3 321.377 1.918 20 5 DDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(C2CC2)C1 ZINC000340088160 410667184 /nfs/dbraw/zinc/66/71/84/410667184.db2.gz IOHJJXLZKQLDTC-ZDUSSCGKSA-N 0 3 318.377 1.673 20 5 DDBDHN CCN1CCN([C@@H](C)CNc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000301271967 410690217 /nfs/dbraw/zinc/69/02/17/410690217.db2.gz HUJHCTKWSBVCKH-ZDUSSCGKSA-N 0 3 307.398 1.736 20 5 DDBDHN O=[N+]([O-])c1cnc2ccc(NCCN3CCCCCC3)nn21 ZINC000301838151 410809505 /nfs/dbraw/zinc/80/95/05/410809505.db2.gz NEROBMAEYUZQKU-UHFFFAOYSA-N 0 3 304.354 1.925 20 5 DDBDHN COC(=O)COc1ccc(CN[C@@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000353204292 410851386 /nfs/dbraw/zinc/85/13/86/410851386.db2.gz BSAMBAOXVVIKED-HNNXBMFYSA-N 0 3 324.333 1.415 20 5 DDBDHN COC(=O)COc1ccc(CN[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000353224816 410863132 /nfs/dbraw/zinc/86/31/32/410863132.db2.gz MGFVFPNMZBHQRI-NSHDSACASA-N 0 3 310.306 1.025 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](CO)C1CCOCC1 ZINC000359853590 410917382 /nfs/dbraw/zinc/91/73/82/410917382.db2.gz WHHIJMRVAUPCPW-CQSZACIVSA-N 0 3 310.350 1.481 20 5 DDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356319014 410962858 /nfs/dbraw/zinc/96/28/58/410962858.db2.gz YTYLLAMMRNCNDP-GHMZBOCLSA-N 0 3 307.354 1.027 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N(C)C[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000331250740 411041609 /nfs/dbraw/zinc/04/16/09/411041609.db2.gz ZYWNFEGAXGSVJG-SNVBAGLBSA-N 0 3 309.370 1.608 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N(C)C[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000331250740 411041613 /nfs/dbraw/zinc/04/16/13/411041613.db2.gz ZYWNFEGAXGSVJG-SNVBAGLBSA-N 0 3 309.370 1.608 20 5 DDBDHN COc1cccc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000331430501 411086735 /nfs/dbraw/zinc/08/67/35/411086735.db2.gz CDGQKCSYECETFG-GXFFZTMASA-N 0 3 319.361 1.816 20 5 DDBDHN C[C@H](O)CN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000130782267 196109227 /nfs/dbraw/zinc/10/92/27/196109227.db2.gz KHZHTBNXSASBIW-NSHDSACASA-N 0 3 304.350 1.808 20 5 DDBDHN COC[C@@]1(C)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000296665999 226104527 /nfs/dbraw/zinc/10/45/27/226104527.db2.gz KJOKVXOJRGIMRP-HOCLYGCPSA-N 0 3 324.377 1.693 20 5 DDBDHN O=C1NCCCC[C@@H]1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373277929 418417575 /nfs/dbraw/zinc/41/75/75/418417575.db2.gz JTYJWYOOHMNHQQ-LBPRGKRZSA-N 0 3 307.354 1.097 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](c3ccco3)C2)c1 ZINC000374139250 418493768 /nfs/dbraw/zinc/49/37/68/418493768.db2.gz ABKDLWAHKNDYTF-DGCLKSJQSA-N 0 3 306.322 1.235 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)n1 ZINC000191678724 222107297 /nfs/dbraw/zinc/10/72/97/222107297.db2.gz WECAAVLCWGPBQZ-NWDGAFQWSA-N 0 3 321.381 1.368 20 5 DDBDHN CN1CC[C@@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000375052762 418596006 /nfs/dbraw/zinc/59/60/06/418596006.db2.gz ZLZVUUFUZYGOEC-QMTHXVAHSA-N 0 3 304.350 1.224 20 5 DDBDHN C[C@H]1OCC[C@H]1N(CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000361586780 418688131 /nfs/dbraw/zinc/68/81/31/418688131.db2.gz UJOCKURRZLRCRE-CHWSQXEVSA-N 0 3 310.350 1.445 20 5 DDBDHN CC[C@H](NCCNc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000361985291 418735311 /nfs/dbraw/zinc/73/53/11/418735311.db2.gz XUCJSIOVELUYPE-AWEZNQCLSA-N 0 3 301.350 2.538 20 5 DDBDHN COCc1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000390921666 418756704 /nfs/dbraw/zinc/75/67/04/418756704.db2.gz HSEXDCKVRNJPID-HNNXBMFYSA-N 0 3 320.349 1.088 20 5 DDBDHN COc1ccc(CN[C@H](C2CC2)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000422936395 227268325 /nfs/dbraw/zinc/26/83/25/227268325.db2.gz BNIXBNRPQNYNGA-JKSUJKDBSA-N 0 3 321.377 1.460 20 5 DDBDHN COCCCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000372014015 418831400 /nfs/dbraw/zinc/83/14/00/418831400.db2.gz SUCDDWSFVDLVSF-UHFFFAOYSA-N 0 3 322.365 1.174 20 5 DDBDHN NC(=O)c1ccc(CN[C@@H]2CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000372810276 418904157 /nfs/dbraw/zinc/90/41/57/418904157.db2.gz PBVVIWYAFSAWSJ-TZMCWYRMSA-N 0 3 305.334 1.351 20 5 DDBDHN COC(=O)[C@@H]1CN(C)CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000411915477 419484292 /nfs/dbraw/zinc/48/42/92/419484292.db2.gz ZHEDROKJBCKGPO-CYBMUJFWSA-N 0 3 307.350 1.131 20 5 DDBDHN Cc1cc(OCC(=O)N(C)CCN2CCCC2)ccc1[N+](=O)[O-] ZINC000431644046 229048369 /nfs/dbraw/zinc/04/83/69/229048369.db2.gz GLBPECMQNMYAGS-UHFFFAOYSA-N 0 3 321.377 1.836 20 5 DDBDHN CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(N)=O ZINC000429143336 419975057 /nfs/dbraw/zinc/97/50/57/419975057.db2.gz OYFDZDUHOSQZIN-UHFFFAOYSA-N 0 3 322.365 1.429 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC(C)(C)CN ZINC000415378062 420041961 /nfs/dbraw/zinc/04/19/61/420041961.db2.gz GYWLZDOAZHGZMV-UHFFFAOYSA-N 0 3 308.338 1.004 20 5 DDBDHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429770334 420045270 /nfs/dbraw/zinc/04/52/70/420045270.db2.gz FJKNWLRGAXBMCO-GHMZBOCLSA-N 0 3 320.349 1.038 20 5 DDBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@H]1CNCCC1(F)F ZINC000415632677 420131726 /nfs/dbraw/zinc/13/17/26/420131726.db2.gz OZAUDQCYSPOUCN-JTQLQIEISA-N 0 3 318.255 1.853 20 5 DDBDHN Cc1ccc(S(=O)(=O)NC(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000416506477 420400314 /nfs/dbraw/zinc/40/03/14/420400314.db2.gz GLBNZJBPMRROBJ-UHFFFAOYSA-N 0 3 315.395 1.522 20 5 DDBDHN O=C(NC[C@H]1CCCN1CCCO)Nc1cccc([N+](=O)[O-])c1 ZINC000454150248 420807284 /nfs/dbraw/zinc/80/72/84/420807284.db2.gz QJVRXOKNIPOJBV-CQSZACIVSA-N 0 3 322.365 1.563 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCC[C@]1(C)CO ZINC000493390959 420836819 /nfs/dbraw/zinc/83/68/19/420836819.db2.gz VMZLMBQUUONHEZ-GOEBONIOSA-N 0 3 321.377 1.982 20 5 DDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCN1CCCC1 ZINC000448601280 420868358 /nfs/dbraw/zinc/86/83/58/420868358.db2.gz RMDGXUCNJVHNFN-UHFFFAOYSA-N 0 3 307.350 1.819 20 5 DDBDHN C[C@@H](CN(C)CCn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000459803599 420878123 /nfs/dbraw/zinc/87/81/23/420878123.db2.gz JYQDBDVVDOSTBT-NSHDSACASA-N 0 3 312.370 1.701 20 5 DDBDHN CNc1nc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000455769098 421060143 /nfs/dbraw/zinc/06/01/43/421060143.db2.gz YUSJAPJMERAGML-NXEZZACHSA-N 0 3 307.354 1.244 20 5 DDBDHN CN(C)CCN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450025551 421129689 /nfs/dbraw/zinc/12/96/89/421129689.db2.gz SUUNWKYTTNXFAU-UHFFFAOYSA-N 0 3 317.349 1.414 20 5 DDBDHN CC[C@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NC ZINC000449773605 421079290 /nfs/dbraw/zinc/07/92/90/421079290.db2.gz KKIITDFVVHGOAV-GWCFXTLKSA-N 0 3 322.365 1.426 20 5 DDBDHN CN(C)CCN(Cc1ccccn1)c1ccc([N+](=O)[O-])nc1 ZINC000450389557 421192135 /nfs/dbraw/zinc/19/21/35/421192135.db2.gz JYXNQOWULMFLRX-UHFFFAOYSA-N 0 3 301.350 1.953 20 5 DDBDHN COc1ccc(C(=O)NCCN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000525293088 421287631 /nfs/dbraw/zinc/28/76/31/421287631.db2.gz WHMPMZQFESVUTB-NSHDSACASA-N 0 3 307.350 1.675 20 5 DDBDHN CO[C@@H]1COC[C@H]1N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000563535184 421517830 /nfs/dbraw/zinc/51/78/30/421517830.db2.gz PSZHKZCGNBMOKY-ZLKJLUDKSA-N 0 3 323.349 1.315 20 5 DDBDHN CCN1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000531634750 421642091 /nfs/dbraw/zinc/64/20/91/421642091.db2.gz JOTPWECCMASVLG-NWDGAFQWSA-N 0 3 306.366 1.935 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCCN(C)C2)n1 ZINC000519666052 421715502 /nfs/dbraw/zinc/71/55/02/421715502.db2.gz YMAOHAFMFXDKEC-NSHDSACASA-N 0 3 322.365 1.554 20 5 DDBDHN CN1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000572672816 421810834 /nfs/dbraw/zinc/81/08/34/421810834.db2.gz NKAVBRHCTMFOMV-HNNXBMFYSA-N 0 3 304.350 1.548 20 5 DDBDHN CCCC[C@H](N)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000236844745 263559978 /nfs/dbraw/zinc/55/99/78/263559978.db2.gz ATDLGIXSIDFWDK-LBPRGKRZSA-N 0 3 309.322 1.837 20 5 DDBDHN C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCN(C2CCC2)C1 ZINC000344732966 272103964 /nfs/dbraw/zinc/10/39/64/272103964.db2.gz ULVQEXCAVYWYKK-LLVKDONJSA-N 0 3 321.381 1.275 20 5 DDBDHN N[C@H](CC(F)F)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000345747592 272323256 /nfs/dbraw/zinc/32/32/56/272323256.db2.gz AVIZUDLMJVNHOT-SNVBAGLBSA-N 0 3 302.281 1.105 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC(N(C)C)C1 ZINC000277739561 274000851 /nfs/dbraw/zinc/00/08/51/274000851.db2.gz IMLNTDMUQQJKSF-UHFFFAOYSA-N 0 3 313.741 1.785 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000450780244 274004711 /nfs/dbraw/zinc/00/47/11/274004711.db2.gz PVVFIYBQCVVQKV-SMDDNHRTSA-N 0 3 305.334 1.522 20 5 DDBDHN O=[N+]([O-])c1ccc2c(ccnc2N2CCCN(CCO)CC2)c1 ZINC000450319525 275038638 /nfs/dbraw/zinc/03/86/38/275038638.db2.gz ZAOGTPNAOBLWTO-UHFFFAOYSA-N 0 3 316.361 1.647 20 5 DDBDHN CCN1CC[C@@H]2OCCN(Cc3csc([N+](=O)[O-])c3)[C@H]2C1 ZINC000339396123 276220874 /nfs/dbraw/zinc/22/08/74/276220874.db2.gz TWECKCWIRXRMQP-STQMWFEESA-N 0 3 311.407 1.951 20 5 DDBDHN CN1CC[C@@H]2[C@@H](CCCN2c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290732632 290175406 /nfs/dbraw/zinc/17/54/06/290175406.db2.gz GCQVBDUUNXUHKH-CMPLNLGQSA-N 0 3 319.365 1.009 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)[C@@H]1CCOC1 ZINC000162737549 298201765 /nfs/dbraw/zinc/20/17/65/298201765.db2.gz FWQJGMNMVNNYPT-VXGBXAGGSA-N 0 3 307.350 1.856 20 5 DDBDHN COc1ccc(C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000362287588 300044374 /nfs/dbraw/zinc/04/43/74/300044374.db2.gz OKAYVEIMXGJVHB-SMDDNHRTSA-N 0 3 319.361 1.770 20 5 DDBDHN COCCO[C@H]1COCC[C@H]1NCc1ccc([N+](=O)[O-])cc1C ZINC000362506478 300081216 /nfs/dbraw/zinc/08/12/16/300081216.db2.gz AYGQQSIMSPFXIA-CVEARBPZSA-N 0 3 324.377 1.813 20 5 DDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)Nc1cccc([N+](=O)[O-])c1 ZINC000363094695 300209364 /nfs/dbraw/zinc/20/93/64/300209364.db2.gz HJUNASPVYGGADS-UONOGXRCSA-N 0 3 320.349 1.580 20 5 DDBDHN COc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000367062031 300794933 /nfs/dbraw/zinc/79/49/33/300794933.db2.gz JESCTCWKCPULCO-WBMJQRKESA-N 0 3 319.361 1.750 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)[C@H](C)[NH3+])c1C ZINC000420450661 301859629 /nfs/dbraw/zinc/85/96/29/301859629.db2.gz YOUBATWYVUFSCT-UWVGGRQHSA-N 0 3 301.368 1.226 20 5 DDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882867 303263209 /nfs/dbraw/zinc/26/32/09/303263209.db2.gz TYSJVOLNDDNDGX-CYBMUJFWSA-N 0 3 322.365 1.173 20 5 DDBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000558732704 303781762 /nfs/dbraw/zinc/78/17/62/303781762.db2.gz SAWVJSBYYXJRRP-LBPRGKRZSA-N 0 3 317.349 1.221 20 5 DDBDHN CN(C(=O)CN[C@H]1CCO[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000365192360 307061432 /nfs/dbraw/zinc/06/14/32/307061432.db2.gz QDGGGWRJKDTQFJ-HOCLYGCPSA-N 0 3 319.361 1.715 20 5 DDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC1CC(N2CCCCC2)C1 ZINC000369557807 307124089 /nfs/dbraw/zinc/12/40/89/307124089.db2.gz WVXUDAGJIWKGHX-UHFFFAOYSA-N 0 3 319.365 1.518 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)C[C@@H]21 ZINC000376662929 307252456 /nfs/dbraw/zinc/25/24/56/307252456.db2.gz DANQRIJTORCLAL-MFKMUULPSA-N 0 3 307.325 1.900 20 5 DDBDHN CC(COC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496764136 307360142 /nfs/dbraw/zinc/36/01/42/307360142.db2.gz QOKRRVQWJNXNIX-MNOVXSKESA-N 0 3 316.354 1.984 20 5 DDBDHN COc1ccc(F)cc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000563707479 307979674 /nfs/dbraw/zinc/97/96/74/307979674.db2.gz OWUIZVILNHJOEY-ZDUSSCGKSA-N 0 3 324.312 1.090 20 5 DDBDHN C[C@@H]1COCCN1CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566571513 308057811 /nfs/dbraw/zinc/05/78/11/308057811.db2.gz DJCNXRKWUOOYRW-IUODEOHRSA-N 0 3 305.378 1.892 20 5 DDBDHN CC(=O)N1CC(N[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000583703536 337092202 /nfs/dbraw/zinc/09/22/02/337092202.db2.gz AKJOPORSDRFWTR-QWHCGFSZSA-N 0 3 307.354 1.095 20 5 DDBDHN CC(C)OC[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000493796298 484239564 /nfs/dbraw/zinc/23/95/64/484239564.db2.gz OTSKTBCHCUMZAA-JSGCOSHPSA-N 0 3 324.381 1.262 20 5 DDBDHN CCCC[C@@H](C[NH3+])[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000150321334 500586481 /nfs/dbraw/zinc/58/64/81/500586481.db2.gz ZNKPZBUPRRXVHJ-NSHDSACASA-N 0 3 315.395 1.699 20 5 DDBDHN COC(=O)[C@H](C)CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153920812 696923959 /nfs/dbraw/zinc/92/39/59/696923959.db2.gz WOEMMHMHEKODFY-ABAIWWIYSA-N 0 3 322.361 1.902 20 5 DDBDHN COC(=O)[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000787326595 699206344 /nfs/dbraw/zinc/20/63/44/699206344.db2.gz IMCGWWXDCBCSOX-ZLKJLUDKSA-N 0 3 308.334 1.512 20 5 DDBDHN CN(C1CCCC1)C(C)(C)C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000754873326 700535255 /nfs/dbraw/zinc/53/52/55/700535255.db2.gz OIFNRVFIAXIOKI-UHFFFAOYSA-N 0 3 324.381 1.988 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](CO)C1CC1 ZINC000763064223 700923547 /nfs/dbraw/zinc/92/35/47/700923547.db2.gz DTFUYKOBNATIQN-ZANVPECISA-N 0 3 323.349 1.291 20 5 DDBDHN C[C@@](CO)(NCCC1OCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000879274637 706636713 /nfs/dbraw/zinc/63/67/13/706636713.db2.gz SFWMKRJDCWKVIT-HNNXBMFYSA-N 0 3 310.350 1.545 20 5 DDBDHN COc1ccc([C@@H](CC(=O)OCC(C)[N+](=O)[O-])NC(C)=O)cc1 ZINC000813100032 702290115 /nfs/dbraw/zinc/29/01/15/702290115.db2.gz KLBZCJAJCQKFHD-QMTHXVAHSA-N 0 3 324.333 1.471 20 5 DDBDHN CC(COC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[N+](=O)[O-] ZINC000813104221 702291990 /nfs/dbraw/zinc/29/19/90/702291990.db2.gz YJBYHUJYENLMHC-VIFPVBQESA-N 0 3 320.261 1.603 20 5 DDBDHN CC(COC(=O)[C@@H](C)n1ccc2ccccc2c1=O)[N+](=O)[O-] ZINC000813103673 702292036 /nfs/dbraw/zinc/29/20/36/702292036.db2.gz DQDZRROIYCMBRM-WDEREUQCSA-N 0 3 304.302 1.771 20 5 DDBDHN CC(COC(=O)c1cnn(C)c1Cc1ccccc1)[N+](=O)[O-] ZINC000813112121 702296915 /nfs/dbraw/zinc/29/69/15/702296915.db2.gz BUDVBEUVHBHRRD-LLVKDONJSA-N 0 3 303.318 1.833 20 5 DDBDHN CC(COC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813111446 702297342 /nfs/dbraw/zinc/29/73/42/702297342.db2.gz HJSVQDBRBUBQTD-SECBINFHSA-N 0 3 320.261 1.603 20 5 DDBDHN CC(COC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)[N+](=O)[O-] ZINC000813112769 702297954 /nfs/dbraw/zinc/29/79/54/702297954.db2.gz KQYNOHPCIRKTHX-VIFPVBQESA-N 0 3 317.301 1.165 20 5 DDBDHN CC(COC(=O)c1cnn(-c2cccc(Cl)c2)n1)[N+](=O)[O-] ZINC000813112299 702298492 /nfs/dbraw/zinc/29/84/92/702298492.db2.gz PCPGIXOUHRMEFC-MRVPVSSYSA-N 0 3 310.697 1.743 20 5 DDBDHN CC(COC(=O)CN1C(=O)CSc2ccccc21)[N+](=O)[O-] ZINC000813114828 702298845 /nfs/dbraw/zinc/29/88/45/702298845.db2.gz HKANWNPJWNDRMB-VIFPVBQESA-N 0 3 310.331 1.334 20 5 DDBDHN C[C@H](N[C@@H]1CNCCC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817979516 702541518 /nfs/dbraw/zinc/54/15/18/702541518.db2.gz BOZXZSLNIQTCAX-QPUJVOFHSA-N 0 3 300.309 1.825 20 5 DDBDHN O=C1O[C@@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000848679179 703574921 /nfs/dbraw/zinc/57/49/21/703574921.db2.gz RQCCGPHNZPBXML-KBPBESRZSA-N 0 3 321.333 1.201 20 5 DDBDHN CCC[C@H](C)C(=O)NCCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819330493 704108555 /nfs/dbraw/zinc/10/85/55/704108555.db2.gz SSJCRPZEVBZZPW-SWLSCSKDSA-N 0 3 323.393 1.770 20 5 DDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000874822361 705181766 /nfs/dbraw/zinc/18/17/66/705181766.db2.gz ARBBDDZLZGIVMT-UONOGXRCSA-N 0 3 321.352 1.972 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874839959 705196119 /nfs/dbraw/zinc/19/61/19/705196119.db2.gz YOHLHBPDTOZNQS-GHMZBOCLSA-N 0 3 321.381 1.750 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874839959 705196120 /nfs/dbraw/zinc/19/61/20/705196120.db2.gz YOHLHBPDTOZNQS-GHMZBOCLSA-N 0 3 321.381 1.750 20 5 DDBDHN CCCN(C(=O)Cn1c(C)ncc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000823500096 705256170 /nfs/dbraw/zinc/25/61/70/705256170.db2.gz UPURNWSOZZZJIO-LBPRGKRZSA-N 0 3 309.370 1.042 20 5 DDBDHN CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000860777778 705280015 /nfs/dbraw/zinc/28/00/15/705280015.db2.gz VVZBUGYFPLETLM-ZJUUUORDSA-N 0 3 304.343 1.840 20 5 DDBDHN CO[C@@H]1CN(C)[C@](C)(COC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000861352437 705441142 /nfs/dbraw/zinc/44/11/42/705441142.db2.gz JDISQSIEPGTBPT-FZMZJTMJSA-N 0 3 302.371 1.474 20 5 DDBDHN Cc1ccc(N2CN(CCN(C)C)C(=O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000826685237 705845139 /nfs/dbraw/zinc/84/51/39/705845139.db2.gz GYIMZYYZMMCXMO-GFCCVEGCSA-N 0 3 306.366 1.459 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](c2ccnn2C)C1 ZINC000877976684 706256419 /nfs/dbraw/zinc/25/64/19/706256419.db2.gz YAJUFZGHYKAIBB-ZDUSSCGKSA-N 0 3 318.381 1.713 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[C@@H]1CNC(=O)C1 ZINC000926981741 712926473 /nfs/dbraw/zinc/92/64/73/712926473.db2.gz VKNSBDMXGQFSHG-QWRGUYRKSA-N 0 3 307.350 1.780 20 5 DDBDHN CN(C)CCN(C)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000896822188 708155883 /nfs/dbraw/zinc/15/58/83/708155883.db2.gz ZXAZKPYXXSZASA-UHFFFAOYSA-N 0 3 316.361 1.964 20 5 DDBDHN Cc1cc(N2CC[C@@H]3[C@H]2CCCN3CCO)ncc1[N+](=O)[O-] ZINC000897220415 708258555 /nfs/dbraw/zinc/25/85/55/708258555.db2.gz AYBTWJRBMLILOM-CHWSQXEVSA-N 0 3 306.366 1.334 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CCN(C)C2)c1C ZINC000897397984 708315182 /nfs/dbraw/zinc/31/51/82/708315182.db2.gz PENAQBOCEMSDCF-OAHLLOKOSA-N 0 3 307.350 1.008 20 5 DDBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)CCO ZINC000899737206 709183816 /nfs/dbraw/zinc/18/38/16/709183816.db2.gz DDWPZFBTVZJZLT-AWEZNQCLSA-N 0 3 323.393 1.204 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000928435833 713194622 /nfs/dbraw/zinc/19/46/22/713194622.db2.gz DEAFQGRXNCMFBS-NEPJUHHUSA-N 0 3 306.366 1.240 20 5 DDBDHN CCOc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928452606 713203839 /nfs/dbraw/zinc/20/38/39/713203839.db2.gz NFAFISGKRFEFLQ-ZYHUDNBSSA-N 0 3 307.350 1.816 20 5 DDBDHN CN1C[C@@H]2CCN(c3c([N+](=O)[O-])c(C(F)(F)F)nn3C)[C@@H]2C1 ZINC000893936007 710892634 /nfs/dbraw/zinc/89/26/34/710892634.db2.gz TYNZPZWGTDGQJQ-JGVFFNPUSA-N 0 3 319.287 1.487 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000930877557 713947988 /nfs/dbraw/zinc/94/79/88/713947988.db2.gz VOARABLXKHBRDW-LLVKDONJSA-N 0 3 307.354 1.278 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)C[C@H]1CCC(=O)N1 ZINC000924956017 714707993 /nfs/dbraw/zinc/70/79/93/714707993.db2.gz WWTUFWRQZMCUEO-ZYHUDNBSSA-N 0 3 307.350 1.750 20 5 DDBDHN Cc1nnc([C@@H]2CCCN(Cc3cccnc3[N+](=O)[O-])C2)[nH]1 ZINC001192730221 745869758 /nfs/dbraw/zinc/86/97/58/745869758.db2.gz GEOKNURBELMTKR-LLVKDONJSA-N 0 3 302.338 1.796 20 5 DDBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C/C=C/Cl)CC1 ZINC001005382963 749934238 /nfs/dbraw/zinc/93/42/38/749934238.db2.gz SCXKRKLMXPXSCV-JAVOVTSZSA-N 0 3 301.774 1.327 20 5 DDBDHN Cc1cccnc1N1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007692 762175883 /nfs/dbraw/zinc/17/58/83/762175883.db2.gz PIQYGCIGWSFKDT-GJZGRUSLSA-N 0 3 304.394 1.957 20 5 DDBDHN COc1cc(N2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)ccn1 ZINC001169052518 762208112 /nfs/dbraw/zinc/20/81/12/762208112.db2.gz GWERHMZDROXNGH-KGLIPLIRSA-N 0 3 320.393 1.658 20 5 DDBDHN CCN(CC)CC(=O)NCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001093646586 774946219 /nfs/dbraw/zinc/94/62/19/774946219.db2.gz GXTKIMQJVHDDKZ-UHFFFAOYSA-N 0 3 309.370 1.168 20 5 DDBDHN CCCN(C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001110193524 778065963 /nfs/dbraw/zinc/06/59/63/778065963.db2.gz KXRLKIMIJCTSRB-UHFFFAOYSA-N 0 3 320.393 1.997 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1COC[C@H]1C ZINC001176355947 778132944 /nfs/dbraw/zinc/13/29/44/778132944.db2.gz PSBGAQMNZOHFJL-NRUUGDAUSA-N 0 3 323.349 1.555 20 5 DDBDHN CN1C[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001178709317 779154627 /nfs/dbraw/zinc/15/46/27/779154627.db2.gz MDOBQLYLOGHHHL-CYBMUJFWSA-N 0 3 309.341 1.733 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(CC3CCC(O)CC3)CC2)cn1 ZINC001118491883 781138505 /nfs/dbraw/zinc/13/85/05/781138505.db2.gz DHMBECQUKUMKNN-UHFFFAOYSA-N 0 3 320.393 1.663 20 5 DDBDHN CN(C)C[C@H](CO)Nc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001119958774 781698576 /nfs/dbraw/zinc/69/85/76/781698576.db2.gz KLNSSEDJKXXMPD-SNVBAGLBSA-N 0 3 308.313 1.038 20 5 DDBDHN COc1cccc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC001273359497 849661070 /nfs/dbraw/zinc/66/10/70/849661070.db2.gz HMMGGYBVYLCLSK-PWSUYJOCSA-N 0 3 305.334 1.380 20 5 DDBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NOCCN(C)C ZINC001328308916 862888563 /nfs/dbraw/zinc/88/85/63/862888563.db2.gz FAOVQRBDZKRSPH-ZDUSSCGKSA-N 0 3 309.366 1.773 20 5 DDBDHN Cc1cnc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)cn1 ZINC001122916303 859005174 /nfs/dbraw/zinc/00/51/74/859005174.db2.gz FJXBDROQHSDUNX-UHFFFAOYSA-N 0 3 315.333 1.213 20 5 DDBDHN Cc1c(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cnn1C ZINC001123592293 859316595 /nfs/dbraw/zinc/31/65/95/859316595.db2.gz ROXPJPYJUSIKRF-UHFFFAOYSA-N 0 3 317.349 1.156 20 5 DDBDHN Cc1ncsc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001124042120 859545729 /nfs/dbraw/zinc/54/57/29/859545729.db2.gz PSEONHXBGMKCAY-UHFFFAOYSA-N 0 3 320.374 1.879 20 5 DDBDHN Nc1ccnc(N[C@H]2CCCC[C@@]23CNCCO3)c1[N+](=O)[O-] ZINC001163645656 868587733 /nfs/dbraw/zinc/58/77/33/868587733.db2.gz ZWQUARFZXGWPEU-SMDDNHRTSA-N 0 3 307.354 1.285 20 5 DDBDHN N[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C[C@@H]1F ZINC001165116960 869385879 /nfs/dbraw/zinc/38/58/79/869385879.db2.gz LIQYIWXYVPGDBS-JGVFFNPUSA-N 0 3 310.663 1.674 20 5 DDBDHN CCn1c(C[N+](=O)[O-])nnc1N1CCN(C2CCCC2)CC1 ZINC001340868903 871400649 /nfs/dbraw/zinc/40/06/49/871400649.db2.gz ZAMRIUUQJKZAFZ-UHFFFAOYSA-N 0 3 308.386 1.139 20 5 DDBDHN OC[C@H]1CN(Cc2ccc3ccc4cccnc4c3n2)C[C@@H]1O ZINC001232219396 886166212 /nfs/dbraw/zinc/16/62/12/886166212.db2.gz TZIRRFBKKKXJGR-ZBFHGGJFSA-N 0 3 309.369 1.568 20 5 DDBDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001290769109 913505732 /nfs/dbraw/zinc/50/57/32/913505732.db2.gz IBDFYENJLRLJOQ-NSHDSACASA-N 0 3 306.366 1.781 20 5 DDBDHN COc1cc(N2CCC(N(C)C3COC3)CC2)ccc1[N+](=O)[O-] ZINC001256098941 897282562 /nfs/dbraw/zinc/28/25/62/897282562.db2.gz GJIGLXOYSKSMCX-UHFFFAOYSA-N 0 3 321.377 1.903 20 5 DDBDHN Cc1c(CC(=O)N[C@H]2CN3CCC2CC3)cccc1[N+](=O)[O-] ZINC001262639063 900282924 /nfs/dbraw/zinc/28/29/24/900282924.db2.gz RHSPKWJSBICKAM-AWEZNQCLSA-N 0 3 303.362 1.656 20 5 DDBDHN O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCN2CCC[C@H]2C1 ZINC000255417900 282255992 /nfs/dbraw/zinc/25/59/92/282255992.db2.gz NBTVRIHNBQAFBW-DANTVBBOSA-N 0 3 301.346 1.915 20 5 DDBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000255831611 282280426 /nfs/dbraw/zinc/28/04/26/282280426.db2.gz KGURSSPIIOIYIP-GDBMZVCRSA-N 0 3 324.377 1.835 20 5 DDBDHN CN(C)c1ncc(CNCCc2ccccc2[N+](=O)[O-])n1C ZINC000414357635 529809217 /nfs/dbraw/zinc/80/92/17/529809217.db2.gz JRMVCRDJIWSNHJ-UHFFFAOYSA-N 0 3 303.366 1.727 20 5 DDBDHN CN1C[C@@H]2CCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425063977 529822718 /nfs/dbraw/zinc/82/27/18/529822718.db2.gz GVOLTCURYFQOMQ-GXFFZTMASA-N 0 3 304.350 1.343 20 5 DDBDHN C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272748878 210152282 /nfs/dbraw/zinc/15/22/82/210152282.db2.gz NYZOGGJQKYFWBP-LBPRGKRZSA-N 0 3 303.362 1.904 20 5 DDBDHN C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)CN1 ZINC000272646694 210049985 /nfs/dbraw/zinc/04/99/85/210049985.db2.gz YLZWUTVXZBBIOA-UWVGGRQHSA-N 0 3 311.313 1.322 20 5 DDBDHN COC(=O)c1cc(C)nc(NCCN2CCCC2)c1[N+](=O)[O-] ZINC000287070418 219296171 /nfs/dbraw/zinc/29/61/71/219296171.db2.gz SWJRKFBDHCBXKN-UHFFFAOYSA-N 0 3 308.338 1.593 20 5 DDBDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000138226314 186014744 /nfs/dbraw/zinc/01/47/44/186014744.db2.gz NENGFHYCNVQBEL-JTQLQIEISA-N 0 3 309.370 1.558 20 5 DDBDHN CCCC[C@H](C[NH3+])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000150310559 186056592 /nfs/dbraw/zinc/05/65/92/186056592.db2.gz QZAGJTGSYRVVQK-SNVBAGLBSA-N 0 3 301.368 1.391 20 5 DDBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000152606024 186088798 /nfs/dbraw/zinc/08/87/98/186088798.db2.gz HLXSHIDWGCZIOJ-CYBMUJFWSA-N 0 3 315.757 1.291 20 5 DDBDHN CC[C@@H]1CCCCN1CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000172041311 198030048 /nfs/dbraw/zinc/03/00/48/198030048.db2.gz UTQRTFHLXYIGHF-GFCCVEGCSA-N 0 3 309.370 1.172 20 5 DDBDHN O=C(COc1ccccc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000029091526 352235105 /nfs/dbraw/zinc/23/51/05/352235105.db2.gz XMQJQQZINFJKBU-UHFFFAOYSA-N 0 3 319.361 1.717 20 5 DDBDHN CC(C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000055467230 352735223 /nfs/dbraw/zinc/73/52/23/352735223.db2.gz ACHQLVGDNWBZEI-DTWKUNHWSA-N 0 3 300.336 1.205 20 5 DDBDHN CN(CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000066924606 353025785 /nfs/dbraw/zinc/02/57/85/353025785.db2.gz VUCWYACYRDTNSX-UHFFFAOYSA-N 0 3 321.333 1.190 20 5 DDBDHN COc1ccc(CC(=O)N(C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000069550282 353167693 /nfs/dbraw/zinc/16/76/93/353167693.db2.gz HZRSVFHPNXELKV-UHFFFAOYSA-N 0 3 321.377 1.699 20 5 DDBDHN CCN1CCN([C@H](C)CNc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078630669 353526293 /nfs/dbraw/zinc/52/62/93/353526293.db2.gz JLWQZJYKHWNDOR-CYBMUJFWSA-N 0 3 307.398 1.736 20 5 DDBDHN Cc1cnc(N2CCN(CC3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000078665273 353527241 /nfs/dbraw/zinc/52/72/41/353527241.db2.gz HAPGEFWGQDLKFM-UHFFFAOYSA-N 0 3 320.393 1.847 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C[C@H](C)[NH3+])cc1C ZINC000320756191 354529194 /nfs/dbraw/zinc/52/91/94/354529194.db2.gz WNKUKTKPDNVEGU-QWRGUYRKSA-N 0 3 315.395 1.616 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CC23CC3)cc1 ZINC000584775542 354764449 /nfs/dbraw/zinc/76/44/49/354764449.db2.gz NBZDMQLTIZXCHJ-LLVKDONJSA-N 0 3 310.375 1.758 20 5 DDBDHN CN1CC[C@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000346292085 283058412 /nfs/dbraw/zinc/05/84/12/283058412.db2.gz AZGNKBRZTKIUHA-INIZCTEOSA-N 0 3 321.352 1.831 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](CCO)C(C)C)c1 ZINC000589506567 354997999 /nfs/dbraw/zinc/99/79/99/354997999.db2.gz DEQQSRXZNYKLNR-ZDUSSCGKSA-N 0 3 310.350 1.878 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@H]2C1 ZINC000590044700 355043521 /nfs/dbraw/zinc/04/35/21/355043521.db2.gz MFTWICXGYRRWNP-RISCZKNCSA-N 0 3 314.345 1.852 20 5 DDBDHN Nc1ccc(N2CCC(CN3CCOCC3)CC2)nc1[N+](=O)[O-] ZINC000590573232 355117699 /nfs/dbraw/zinc/11/76/99/355117699.db2.gz VLFKNPLCVJSRIZ-UHFFFAOYSA-N 0 3 321.381 1.121 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H](O)C1CCC1)OCCO2 ZINC000590663619 355139575 /nfs/dbraw/zinc/13/95/75/355139575.db2.gz LPLYJKRTPDTEEC-CYBMUJFWSA-N 0 3 308.334 1.617 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@@H]21 ZINC000590776537 355176421 /nfs/dbraw/zinc/17/64/21/355176421.db2.gz VWLJFNZFBBZPIK-BMIGLBTASA-N 0 3 314.345 1.852 20 5 DDBDHN COC(=O)[C@@H]1CNCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000592489376 355597865 /nfs/dbraw/zinc/59/78/65/355597865.db2.gz RQDKADKEEQJXAX-ZDUSSCGKSA-N 0 3 311.313 1.071 20 5 DDBDHN Cn1c(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594204727 356139028 /nfs/dbraw/zinc/13/90/28/356139028.db2.gz XSYHNFBNPQEGOI-RYUDHWBXSA-N 0 3 306.366 1.680 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CN(C)CCN1C ZINC000595017606 356372800 /nfs/dbraw/zinc/37/28/00/356372800.db2.gz KSTURMJKVCDXLH-JSGCOSHPSA-N 0 3 322.409 1.500 20 5 DDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595260813 356424469 /nfs/dbraw/zinc/42/44/69/356424469.db2.gz LOHALOUZTGMBEH-NXEZZACHSA-N 0 3 311.313 1.505 20 5 DDBDHN Cc1noc(CN2CCN([C@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000595370768 356468219 /nfs/dbraw/zinc/46/82/19/356468219.db2.gz JFLYPOQYSKVLTK-ZDUSSCGKSA-N 0 3 323.397 1.103 20 5 DDBDHN COCCN(C)C[C@H](O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000565224453 304055083 /nfs/dbraw/zinc/05/50/83/304055083.db2.gz JCUAANSZRLUIGI-AWEZNQCLSA-N 0 3 314.407 1.767 20 5 DDBDHN O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000595967136 356727507 /nfs/dbraw/zinc/72/75/07/356727507.db2.gz XMEGTTKSCJNZFH-CQSZACIVSA-N 0 3 316.317 1.836 20 5 DDBDHN CCN1CCN(CCNc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596073123 356762854 /nfs/dbraw/zinc/76/28/54/356762854.db2.gz GHZNVXZOYNAHGJ-UHFFFAOYSA-N 0 3 313.789 1.115 20 5 DDBDHN C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1=CCN(C)CC1 ZINC000596186504 356806196 /nfs/dbraw/zinc/80/61/96/356806196.db2.gz LILQSWMSGICHFX-JTQLQIEISA-N 0 3 304.350 1.756 20 5 DDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN(C2CC2)C1 ZINC000596255404 356834425 /nfs/dbraw/zinc/83/44/25/356834425.db2.gz OKKSUUPBOWELEO-NSHDSACASA-N 0 3 318.377 1.614 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000598343407 357545628 /nfs/dbraw/zinc/54/56/28/357545628.db2.gz ULIMWFNLZVIXGB-CYBMUJFWSA-N 0 3 320.393 1.632 20 5 DDBDHN CC1(C)CC[C@@H](CO)N(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000598650039 357670423 /nfs/dbraw/zinc/67/04/23/357670423.db2.gz XLOPKFKOYCRIBN-ZDUSSCGKSA-N 0 3 309.366 1.239 20 5 DDBDHN CN(C)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000598957255 357776143 /nfs/dbraw/zinc/77/61/43/357776143.db2.gz KTIDQUASUVOIHP-UHFFFAOYSA-N 0 3 321.312 1.211 20 5 DDBDHN CN1CCN(CC2CN(c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000599105833 357817406 /nfs/dbraw/zinc/81/74/06/357817406.db2.gz HUOPFYXCOFZPGJ-UHFFFAOYSA-N 0 3 324.812 1.932 20 5 DDBDHN CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CCN(C)CC1 ZINC000179844797 199087062 /nfs/dbraw/zinc/08/70/62/199087062.db2.gz WOKWCPMAOHIKDA-UHFFFAOYSA-N 0 3 321.333 1.490 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN2C2CCCC2)n1 ZINC000600470450 358233209 /nfs/dbraw/zinc/23/32/09/358233209.db2.gz OLHOWSIOBMQLBC-LBPRGKRZSA-N 0 3 321.381 1.558 20 5 DDBDHN NCc1cccc2c1N(CCn1cc([N+](=O)[O-])cn1)CCC2 ZINC000600721370 358295306 /nfs/dbraw/zinc/29/53/06/358295306.db2.gz LSAUZOQPYJZPAO-UHFFFAOYSA-N 0 3 301.350 1.703 20 5 DDBDHN CN(C)CCn1cc(C(=O)NCc2ccccc2[N+](=O)[O-])cn1 ZINC000600999959 358376688 /nfs/dbraw/zinc/37/66/88/358376688.db2.gz KGVFNDRWZOIMLB-UHFFFAOYSA-N 0 3 317.349 1.283 20 5 DDBDHN O=[N+]([O-])c1ccc(CCNC[C@H]2CCCCS2(=O)=O)cc1 ZINC000602603553 359066949 /nfs/dbraw/zinc/06/69/49/359066949.db2.gz CPJNFJOZJOVFBZ-CQSZACIVSA-N 0 3 312.391 1.694 20 5 DDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000602696283 359132062 /nfs/dbraw/zinc/13/20/62/359132062.db2.gz KUWLCXOCSFBDJG-ZDUSSCGKSA-N 0 3 320.393 1.189 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(CC(=O)N(C)C)CC1 ZINC000602809142 359205659 /nfs/dbraw/zinc/20/56/59/359205659.db2.gz ZCPIIWGYMHJXKY-UHFFFAOYSA-N 0 3 323.397 1.290 20 5 DDBDHN O=c1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc[nH]1 ZINC000602816882 359211746 /nfs/dbraw/zinc/21/17/46/359211746.db2.gz DSRBTWQODQTFJI-UHFFFAOYSA-N 0 3 303.322 1.729 20 5 DDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000602821807 359215835 /nfs/dbraw/zinc/21/58/35/359215835.db2.gz ACWYRPRIPKJFLL-SJORKVTESA-N 0 3 322.405 1.981 20 5 DDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000602821806 359215908 /nfs/dbraw/zinc/21/59/08/359215908.db2.gz ACWYRPRIPKJFLL-IRXDYDNUSA-N 0 3 322.405 1.981 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000602904031 359284241 /nfs/dbraw/zinc/28/42/41/359284241.db2.gz HYNBAWGFFQFLAD-IYBDPMFKSA-N 0 3 320.393 1.992 20 5 DDBDHN C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000565666777 304083308 /nfs/dbraw/zinc/08/33/08/304083308.db2.gz STZBYVURNRLREI-ZWKOPEQDSA-N 0 3 307.350 1.671 20 5 DDBDHN CC[C@@H](CN1CCCC1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000609833288 360354232 /nfs/dbraw/zinc/35/42/32/360354232.db2.gz GCIHQCOVRXTMDB-ZDUSSCGKSA-N 0 3 321.377 1.964 20 5 DDBDHN O=[N+]([O-])c1cccnc1N1CCCN(C[C@H]2CCCO2)CC1 ZINC000610489119 360449645 /nfs/dbraw/zinc/44/96/45/360449645.db2.gz FBZLIWUEYBVLBV-CYBMUJFWSA-N 0 3 306.366 1.681 20 5 DDBDHN COCCN1CC[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611704746 360799348 /nfs/dbraw/zinc/79/93/48/360799348.db2.gz DLFNOUJRQIYARG-LLVKDONJSA-N 0 3 317.349 1.671 20 5 DDBDHN CC(C)[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000193381457 201042740 /nfs/dbraw/zinc/04/27/40/201042740.db2.gz UBVAEJYFPLNVHO-MRXNPFEDSA-N 0 3 321.425 1.861 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1NCCN1CCN(C)C(C)(C)C1 ZINC000281543055 216373139 /nfs/dbraw/zinc/37/31/39/216373139.db2.gz BHTQKHUDNVKVGM-UHFFFAOYSA-N 0 3 307.398 1.736 20 5 DDBDHN O=C(N[C@H]1CNCCC1(F)F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000449658205 284245416 /nfs/dbraw/zinc/24/54/16/284245416.db2.gz SDFZGYOFPAVGLR-JTQLQIEISA-N 0 3 319.695 1.975 20 5 DDBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H](C)C(=O)NCCF ZINC000282750743 217225090 /nfs/dbraw/zinc/22/50/90/217225090.db2.gz NTERRHPYADZKCL-VXGBXAGGSA-N 0 3 311.357 1.980 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000288512300 220190032 /nfs/dbraw/zinc/19/00/32/220190032.db2.gz OWXWVXHOZJPDBO-VIFPVBQESA-N 0 3 320.353 1.220 20 5 DDBDHN CN(C)[C@@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000173015391 248327668 /nfs/dbraw/zinc/32/76/68/248327668.db2.gz OPOJNDJWCWFZAI-CYBMUJFWSA-N 0 3 320.393 1.584 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)[C@@H]1CCOC1 ZINC000337220612 249395802 /nfs/dbraw/zinc/39/58/02/249395802.db2.gz LTVLRFWWEADULH-VXGBXAGGSA-N 0 3 307.350 1.856 20 5 DDBDHN COc1cc(C(=O)N2CCC[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000106363870 194200914 /nfs/dbraw/zinc/20/09/14/194200914.db2.gz HEVUREQXOGBZHL-LBPRGKRZSA-N 0 3 307.350 1.770 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2CC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000109621883 194277843 /nfs/dbraw/zinc/27/78/43/194277843.db2.gz KGKLFZGOYFPNKQ-NSHDSACASA-N 0 3 321.381 1.581 20 5 DDBDHN COCCN1CC[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000491559809 532976143 /nfs/dbraw/zinc/97/61/43/532976143.db2.gz BJYCJJTYMZGVIA-HJHHMULASA-N 0 3 319.361 1.445 20 5 DDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000120549187 195189062 /nfs/dbraw/zinc/18/90/62/195189062.db2.gz NFQPZUUGNMGDEL-JSGCOSHPSA-N 0 3 305.378 1.936 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000120633266 195204509 /nfs/dbraw/zinc/20/45/09/195204509.db2.gz YJRHJSDDHGTPRD-CQSZACIVSA-N 0 3 306.366 1.531 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000423062426 533223333 /nfs/dbraw/zinc/22/33/33/533223333.db2.gz NADBCYNSAMDKEY-ZWNOBZJWSA-N 0 3 307.350 1.608 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@](C)(CO)C(C)C ZINC000352914598 285384544 /nfs/dbraw/zinc/38/45/44/285384544.db2.gz PRGYYLWGBRRHER-OAHLLOKOSA-N 0 3 309.366 1.838 20 5 DDBDHN COC(=O)COc1ccc(CNCC(C)(C)O)cc1[N+](=O)[O-] ZINC000353742292 285902444 /nfs/dbraw/zinc/90/24/44/285902444.db2.gz WAGQPZMCOVYCSC-UHFFFAOYSA-N 0 3 312.322 1.007 20 5 DDBDHN CCc1cnccc1[C@@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361133264 299805340 /nfs/dbraw/zinc/80/53/40/299805340.db2.gz VYKSQWKOBJGQFY-RISCZKNCSA-N 0 3 319.365 1.460 20 5 DDBDHN CN(C)C(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000071951595 406869384 /nfs/dbraw/zinc/86/93/84/406869384.db2.gz KXYBMRCHSVIONS-UHFFFAOYSA-N 0 3 305.378 1.938 20 5 DDBDHN COCCN1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000078644206 407038712 /nfs/dbraw/zinc/03/87/12/407038712.db2.gz YCOCNYWGLCMUSA-AWEZNQCLSA-N 0 3 322.365 1.827 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(Cc2ccncc2)C2CC2)c1 ZINC000124860832 407371882 /nfs/dbraw/zinc/37/18/82/407371882.db2.gz BAPWVLVMJVBGOC-HNNXBMFYSA-N 0 3 317.349 1.212 20 5 DDBDHN Cc1c(CC(=O)N(C)[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000125428075 407388186 /nfs/dbraw/zinc/38/81/86/407388186.db2.gz MFGOUYOCESJODV-AWEZNQCLSA-N 0 3 305.378 1.998 20 5 DDBDHN COc1ccc(CN[C@@H](C)CC[S@](C)=O)cc1[N+](=O)[O-] ZINC000125569760 407392337 /nfs/dbraw/zinc/39/23/37/407392337.db2.gz BBMJNFKHTOZSKP-WVDJIFEKSA-N 0 3 300.380 1.850 20 5 DDBDHN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000111304114 407406571 /nfs/dbraw/zinc/40/65/71/407406571.db2.gz FIEHOVSTMHHCPZ-QMMMGPOBSA-N 0 3 307.759 1.264 20 5 DDBDHN CC[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N(C)C ZINC000126425890 407413328 /nfs/dbraw/zinc/41/33/28/407413328.db2.gz QZIYNTZKOJKVFV-HNNXBMFYSA-N 0 3 320.393 1.584 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCCN(C3CC3)CC2)c1 ZINC000178858390 407630073 /nfs/dbraw/zinc/63/00/73/407630073.db2.gz NVWYJMMKYISOBF-MRXNPFEDSA-N 0 3 305.378 1.798 20 5 DDBDHN COCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152733530 407677678 /nfs/dbraw/zinc/67/76/78/407677678.db2.gz KBNXRZDRANGQCV-UHFFFAOYSA-N 0 3 315.757 1.556 20 5 DDBDHN CCCc1n[nH]c(C(=O)N(C)C[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000115716899 407701839 /nfs/dbraw/zinc/70/18/39/407701839.db2.gz ZVPFZAPJUWFYPQ-NSHDSACASA-N 0 3 323.397 1.684 20 5 DDBDHN C[C@@H](NCCC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173337502 407875025 /nfs/dbraw/zinc/87/50/25/407875025.db2.gz ZMKHWHNRYQJGDO-GFCCVEGCSA-N 0 3 307.350 1.494 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000272428630 407914678 /nfs/dbraw/zinc/91/46/78/407914678.db2.gz HJCOHNICAFFRFT-STQMWFEESA-N 0 3 321.381 1.042 20 5 DDBDHN O=[N+]([O-])c1cc(CN2CCN(C3CCOCC3)CC2)cs1 ZINC000175466401 408136571 /nfs/dbraw/zinc/13/65/71/408136571.db2.gz PNUNUFGTQMVBIL-UHFFFAOYSA-N 0 3 311.407 1.953 20 5 DDBDHN CC(C)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000155626267 408190402 /nfs/dbraw/zinc/19/04/02/408190402.db2.gz GHFOWOFHYQSSDX-UHFFFAOYSA-N 0 3 319.358 1.352 20 5 DDBDHN C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N1CCC(C)CC1 ZINC000164488584 162151482 /nfs/dbraw/zinc/15/14/82/162151482.db2.gz STYMYNDTRSGTIH-LLVKDONJSA-N 0 3 309.370 1.179 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CN1C1CC1 ZINC000177121092 408525758 /nfs/dbraw/zinc/52/57/58/408525758.db2.gz UMKKDXRQWQXLLT-UWVGGRQHSA-N 0 3 304.350 1.532 20 5 DDBDHN Cc1ccnc(NC2CCN(CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000265238529 408588286 /nfs/dbraw/zinc/58/82/86/408588286.db2.gz OIFVPBYERNFEGU-UHFFFAOYSA-N 0 3 307.398 1.736 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](O)CN1CCCCC1 ZINC000192496358 408598447 /nfs/dbraw/zinc/59/84/47/408598447.db2.gz DEHHHELQBPFPIG-LBPRGKRZSA-N 0 3 311.386 1.378 20 5 DDBDHN Cc1c(CN2CCN(C[C@H](C)O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000249492438 408731652 /nfs/dbraw/zinc/73/16/52/408731652.db2.gz FNXHOTOTDUYEIS-OLZOCXBDSA-N 0 3 307.394 1.790 20 5 DDBDHN Cc1c(NC(=O)CCN2CC[C@H](O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249582260 408745452 /nfs/dbraw/zinc/74/54/52/408745452.db2.gz ROXWVCJZHQSACB-NHYWBVRUSA-N 0 3 321.377 1.935 20 5 DDBDHN Cc1cc(CN(C)C)cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000285631590 408832635 /nfs/dbraw/zinc/83/26/35/408832635.db2.gz AUNYAHKSMZZUIM-UHFFFAOYSA-N 0 3 303.322 1.940 20 5 DDBDHN C[C@@H]1C[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CN1C1CC1 ZINC000290840041 408842852 /nfs/dbraw/zinc/84/28/52/408842852.db2.gz VQPLXSDNOHAHHA-MWLCHTKSSA-N 0 3 304.350 1.731 20 5 DDBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCC(=O)NCC(F)F ZINC000280971101 408867183 /nfs/dbraw/zinc/86/71/83/408867183.db2.gz VLGKZNZSEPLIMM-JTQLQIEISA-N 0 3 315.320 1.887 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276501247 408872263 /nfs/dbraw/zinc/87/22/63/408872263.db2.gz JMWODCZBGYTLRB-LKFCYVNXSA-N 0 3 304.350 1.390 20 5 DDBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H](O)CO)s1 ZINC000276781581 408896256 /nfs/dbraw/zinc/89/62/56/408896256.db2.gz PPTXCNNJAISYOS-SNVBAGLBSA-N 0 3 308.359 1.766 20 5 DDBDHN C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CCN1CC(C)(C)O ZINC000189881910 163123555 /nfs/dbraw/zinc/12/35/55/163123555.db2.gz LYTPFWYFHASZGP-ZDUSSCGKSA-N 0 3 307.394 1.872 20 5 DDBDHN COc1ccc(NC(=O)CN[C@@H]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000277498259 408952585 /nfs/dbraw/zinc/95/25/85/408952585.db2.gz PGVOFMDADFKFJZ-CMPLNLGQSA-N 0 3 323.349 1.557 20 5 DDBDHN CN(C)C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000278466083 409084289 /nfs/dbraw/zinc/08/42/89/409084289.db2.gz NEUDFIDVVWTVIZ-LLVKDONJSA-N 0 3 305.338 1.238 20 5 DDBDHN C[C@H]1C[C@@H](CO)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000289044596 409211451 /nfs/dbraw/zinc/21/14/51/409211451.db2.gz PVXWHSINWAOKJG-MELADBBJSA-N 0 3 324.377 1.427 20 5 DDBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H](CO)[C@@H]2CCOC2)c1 ZINC000280251344 409278092 /nfs/dbraw/zinc/27/80/92/409278092.db2.gz IXLWRYUFORINKF-PWSUYJOCSA-N 0 3 314.769 1.983 20 5 DDBDHN Cc1cc(OCC(=O)NC[C@@H](C)N(C)C2CC2)ccc1[N+](=O)[O-] ZINC000280628377 409385769 /nfs/dbraw/zinc/38/57/69/409385769.db2.gz UINXVKUASPUTQO-GFCCVEGCSA-N 0 3 321.377 1.881 20 5 DDBDHN CCO[C@H]1C[C@@](N)(C(=O)NCc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000186737278 306718053 /nfs/dbraw/zinc/71/80/53/306718053.db2.gz XGXWQVJTABIEHT-XJKSGUPXSA-N 0 3 321.377 1.744 20 5 DDBDHN CNc1c(C(=O)N2CCC[C@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000317388608 164027318 /nfs/dbraw/zinc/02/73/18/164027318.db2.gz FOJCNLVHAMJIQT-NSHDSACASA-N 0 3 306.366 1.803 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000408098567 164226899 /nfs/dbraw/zinc/22/68/99/164226899.db2.gz GTGPLNFDKQNCGP-ZDUSSCGKSA-N 0 3 318.377 1.999 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000295454280 409491376 /nfs/dbraw/zinc/49/13/76/409491376.db2.gz WULLYATUGVUAMH-LLVKDONJSA-N 0 3 321.381 1.042 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1ccncc1 ZINC000338072821 409697006 /nfs/dbraw/zinc/69/70/06/409697006.db2.gz ZUYIELPQMRYPGU-UHFFFAOYSA-N 0 3 316.317 1.262 20 5 DDBDHN C[C@H](CN(C)C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000346152331 409825093 /nfs/dbraw/zinc/82/50/93/409825093.db2.gz HHZAACJLHGCKAR-LLVKDONJSA-N 0 3 304.350 1.616 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000346131783 409807714 /nfs/dbraw/zinc/80/77/14/409807714.db2.gz HWWRAODQWMJBTG-LBPRGKRZSA-N 0 3 308.382 1.853 20 5 DDBDHN COc1c(C(=O)N2CC[C@@]3(CCN(C)C3)C2)cccc1[N+](=O)[O-] ZINC000346316721 409911602 /nfs/dbraw/zinc/91/16/02/409911602.db2.gz IAPXYKOSDCXJHG-MRXNPFEDSA-N 0 3 319.361 1.771 20 5 DDBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H](C)C1 ZINC000346224443 409861475 /nfs/dbraw/zinc/86/14/75/409861475.db2.gz NUHFUYOGNIDLPV-GVXVVHGQSA-N 0 3 306.366 1.725 20 5 DDBDHN C[C@H](O)CN1CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000342857474 409952646 /nfs/dbraw/zinc/95/26/46/409952646.db2.gz MFSPIUBWGDDFOX-UWERJEOXSA-N 0 3 319.405 1.995 20 5 DDBDHN Cn1c(C(=O)N2CCC[C@@H]2CN2CCCC2)ccc1[N+](=O)[O-] ZINC000338682864 410035037 /nfs/dbraw/zinc/03/50/37/410035037.db2.gz URXYSCODCYKAEL-GFCCVEGCSA-N 0 3 306.366 1.634 20 5 DDBDHN C[C@@H]1C[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CN1C1CC1 ZINC000357534203 410087692 /nfs/dbraw/zinc/08/76/92/410087692.db2.gz QSAFVXGTPYHUAP-NXEZZACHSA-N 0 3 304.350 1.731 20 5 DDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N1CCCC[C@@H]1C ZINC000343076664 410125472 /nfs/dbraw/zinc/12/54/72/410125472.db2.gz NHECTAVUUKKFOV-NWDGAFQWSA-N 0 3 308.382 1.926 20 5 DDBDHN CCOc1ccc([C@H](C)NC[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358251981 410420283 /nfs/dbraw/zinc/42/02/83/410420283.db2.gz NDFMMNRJFANMOT-BLLLJJGKSA-N 0 3 323.393 1.711 20 5 DDBDHN C[C@H]1CN(c2ccncc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000343425654 410441665 /nfs/dbraw/zinc/44/16/65/410441665.db2.gz LOMMRCJCGHTIIF-KBPBESRZSA-N 0 3 319.409 1.452 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000355594269 410599506 /nfs/dbraw/zinc/59/95/06/410599506.db2.gz DNFXYLCOYXZVAL-OAHLLOKOSA-N 0 3 322.365 1.400 20 5 DDBDHN CN(C)C[C@@](C)(O)CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000343571790 410542786 /nfs/dbraw/zinc/54/27/86/410542786.db2.gz TVJUTNYZFQODTG-INIZCTEOSA-N 0 3 323.393 1.301 20 5 DDBDHN CNC(=O)c1ccc(N2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301149048 410667010 /nfs/dbraw/zinc/66/70/10/410667010.db2.gz LTQOOMNRQOQRHE-CYBMUJFWSA-N 0 3 318.377 1.629 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2CC[C@@H](C1)N2C ZINC000301443393 410719870 /nfs/dbraw/zinc/71/98/70/410719870.db2.gz WTDUMZLDELTZEO-YPMHNXCESA-N 0 3 318.377 1.627 20 5 DDBDHN C[C@@H](N[C@H](CC(N)=O)C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000348279098 410895167 /nfs/dbraw/zinc/89/51/67/410895167.db2.gz OJMNHGMZKROUJL-BXUZGUMPSA-N 0 3 321.377 1.916 20 5 DDBDHN CN1CCC[C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135541348 196484782 /nfs/dbraw/zinc/48/47/82/196484782.db2.gz XZWAFRJLCNNKKW-AAEUAGOBSA-N 0 3 319.365 1.097 20 5 DDBDHN CN1CC[C@@](O)(CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000613049714 416674089 /nfs/dbraw/zinc/67/40/89/416674089.db2.gz ORKFNVVUYQPFPU-CQSZACIVSA-N 0 3 303.322 1.017 20 5 DDBDHN CNc1nccc(C(=O)N(C)CC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000515069822 416690810 /nfs/dbraw/zinc/69/08/10/416690810.db2.gz PSLKMJUDWIGPST-UHFFFAOYSA-N 0 3 321.381 1.445 20 5 DDBDHN COc1cccc(C(=O)N2CC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000192498491 418523573 /nfs/dbraw/zinc/52/35/73/418523573.db2.gz RAYPNUNWYODWPH-GFCCVEGCSA-N 0 3 319.361 1.914 20 5 DDBDHN CN(C)CCN1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000367165665 418567153 /nfs/dbraw/zinc/56/71/53/418567153.db2.gz OTQMFUGVTNLRTH-UHFFFAOYSA-N 0 3 307.398 1.251 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)n1 ZINC000191772459 222108156 /nfs/dbraw/zinc/10/81/56/222108156.db2.gz QSCYALNLGWISIQ-NWDGAFQWSA-N 0 3 323.397 1.661 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000294231584 418583070 /nfs/dbraw/zinc/58/30/70/418583070.db2.gz RNIGAPARVNNCMZ-HNNXBMFYSA-N 0 3 321.381 1.044 20 5 DDBDHN CN(C)[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C1CC1 ZINC000342000643 418627178 /nfs/dbraw/zinc/62/71/78/418627178.db2.gz CCGNDWAJLQEIOE-ZDUSSCGKSA-N 0 3 317.349 1.996 20 5 DDBDHN CO[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000361363660 418635794 /nfs/dbraw/zinc/63/57/94/418635794.db2.gz ZFLIWQIZMPODAU-CYBMUJFWSA-N 0 3 307.350 1.953 20 5 DDBDHN O=C1NC[C@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]12 ZINC000368064695 418683597 /nfs/dbraw/zinc/68/35/97/418683597.db2.gz QNHFRCFPTHJPCW-FZMZJTMJSA-N 0 3 305.334 1.042 20 5 DDBDHN C[C@@H]1OCC[C@@H]1N(CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000361587117 418688090 /nfs/dbraw/zinc/68/80/90/418688090.db2.gz UWNFTDBMEYHTSN-WFASDCNBSA-N 0 3 310.350 1.445 20 5 DDBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C(N)=O ZINC000411765812 419404278 /nfs/dbraw/zinc/40/42/78/419404278.db2.gz AHUKHWYMBGONAN-UHFFFAOYSA-N 0 3 308.338 1.119 20 5 DDBDHN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCN2CCC[C@H]2C1 ZINC000299399637 229097926 /nfs/dbraw/zinc/09/79/26/229097926.db2.gz KEORYNAYEXGBGY-LBPRGKRZSA-N 0 3 314.345 1.996 20 5 DDBDHN C[C@]1(F)CNCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000420328165 420212986 /nfs/dbraw/zinc/21/29/86/420212986.db2.gz DXDKJUVDZJMLBW-AWEZNQCLSA-N 0 3 310.329 1.167 20 5 DDBDHN C[C@H]1[NH2+]CCC[C@H]1[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420251667 420169104 /nfs/dbraw/zinc/16/91/04/420169104.db2.gz XPMLTGJDEJCZRI-BXKDBHETSA-N 0 3 303.322 2.197 20 5 DDBDHN CN(C)C[C@H](O)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433124556 420247775 /nfs/dbraw/zinc/24/77/75/420247775.db2.gz DFUFHWRUKBKWQV-IUODEOHRSA-N 0 3 307.394 1.829 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)[C@H](C)[NH3+])c1C ZINC000420450662 420296532 /nfs/dbraw/zinc/29/65/32/420296532.db2.gz YOUBATWYVUFSCT-VHSXEESVSA-N 0 3 301.368 1.226 20 5 DDBDHN CC1(C)CCCN1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000457080290 420604162 /nfs/dbraw/zinc/60/41/62/420604162.db2.gz UIQIDNDZWYKQSR-UHFFFAOYSA-N 0 3 321.377 1.964 20 5 DDBDHN C[C@@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)CS(C)(=O)=O ZINC000451105250 420591391 /nfs/dbraw/zinc/59/13/91/420591391.db2.gz LWJBFQCKWVKZOC-QWRGUYRKSA-N 0 3 300.380 1.926 20 5 DDBDHN O=C(CCN[C@@H](CO)[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000447907622 420815085 /nfs/dbraw/zinc/81/50/85/420815085.db2.gz ACPKIGSPLXMXES-JSGCOSHPSA-N 0 3 323.349 1.053 20 5 DDBDHN CC[C@@H]1OCC[C@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000459781347 420871312 /nfs/dbraw/zinc/87/13/12/420871312.db2.gz SHQLNWCZYGIROM-YPMHNXCESA-N 0 3 307.350 1.999 20 5 DDBDHN CCOC(=O)N[C@H](Cc1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000495808249 421069222 /nfs/dbraw/zinc/06/92/22/421069222.db2.gz MSAYHXAGMUMZKU-DGCLKSJQSA-N 0 3 324.333 1.552 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](CO)CN1CCCCC1 ZINC000450516074 421205935 /nfs/dbraw/zinc/20/59/35/421205935.db2.gz ANSKATPTJSSWSV-LBPRGKRZSA-N 0 3 311.386 1.378 20 5 DDBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547755798 421363900 /nfs/dbraw/zinc/36/39/00/421363900.db2.gz AFWFOVWHCOSHSN-GMTAPVOTSA-N 0 3 309.370 1.414 20 5 DDBDHN CN(C)CCN(CCN(C)C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000530880574 421618192 /nfs/dbraw/zinc/61/81/92/421618192.db2.gz IZMMHVMKCQDBDE-UHFFFAOYSA-N 0 3 314.411 1.222 20 5 DDBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000553785428 421625548 /nfs/dbraw/zinc/62/55/48/421625548.db2.gz ZEFLTRVISQPIRV-ZOWXZIJZSA-N 0 3 318.377 1.792 20 5 DDBDHN CN(C)CCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000556690032 421722279 /nfs/dbraw/zinc/72/22/79/421722279.db2.gz UEXIZQDZEYCLDS-UHFFFAOYSA-N 0 3 314.411 1.222 20 5 DDBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000521672131 421796575 /nfs/dbraw/zinc/79/65/75/421796575.db2.gz OPMSHGIVHKSCGB-TXEJJXNPSA-N 0 3 308.382 1.926 20 5 DDBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000572605466 421806258 /nfs/dbraw/zinc/80/62/58/421806258.db2.gz LOTOCSZDDDVWGV-LLVKDONJSA-N 0 3 320.393 1.979 20 5 DDBDHN Nc1nccc(C(=O)NC[C@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000594345123 422346312 /nfs/dbraw/zinc/34/63/12/422346312.db2.gz UEENKVZFCYAHFT-LLVKDONJSA-N 0 3 319.365 1.319 20 5 DDBDHN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C1(NC2CC2)CCC1 ZINC000595952635 422359503 /nfs/dbraw/zinc/35/95/03/422359503.db2.gz QWCIYEWUUFAONO-UHFFFAOYSA-N 0 3 315.333 2.084 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000577729396 422416307 /nfs/dbraw/zinc/41/63/07/422416307.db2.gz MXRAALMAYCMEBV-NXEZZACHSA-N 0 3 301.368 1.307 20 5 DDBDHN CC[C@H]1CN(C)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578589558 422600113 /nfs/dbraw/zinc/60/01/13/422600113.db2.gz ZVUCRLSZDBDBCQ-DZGCQCFKSA-N 0 3 323.393 1.361 20 5 DDBDHN C[C@@H](CN1CCCCC1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180925193 274217448 /nfs/dbraw/zinc/21/74/48/274217448.db2.gz CHTMRVGYBYNSGJ-NSHDSACASA-N 0 3 306.366 1.781 20 5 DDBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1N(C)C ZINC000413204630 278168459 /nfs/dbraw/zinc/16/84/59/278168459.db2.gz JGXOEODFTULHRM-QWRGUYRKSA-N 0 3 300.359 1.611 20 5 DDBDHN CN(C)CCN(C)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272790909 289130002 /nfs/dbraw/zinc/13/00/02/289130002.db2.gz JRSMJYVKWFEGQQ-CQSZACIVSA-N 0 3 320.349 1.108 20 5 DDBDHN [NH3+]C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000087384051 295264281 /nfs/dbraw/zinc/26/42/81/295264281.db2.gz VWYZPGZSZKQAKO-VIFPVBQESA-N 0 3 319.770 1.264 20 5 DDBDHN Cn1cc(C[C@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000363352639 300255711 /nfs/dbraw/zinc/25/57/11/300255711.db2.gz NHXLFWGFSAYPRF-GFCCVEGCSA-N 0 3 304.354 1.089 20 5 DDBDHN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000364350385 300382016 /nfs/dbraw/zinc/38/20/16/300382016.db2.gz XTEZEFSDJIXDSR-LSDHHAIUSA-N 0 3 321.381 1.267 20 5 DDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CNCC[C@H]1C ZINC000193398506 301014624 /nfs/dbraw/zinc/01/46/24/301014624.db2.gz PKMYYUQZIJFBRR-MWLCHTKSSA-N 0 3 313.379 1.180 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c(=O)[n-]1 ZINC000370263412 301304850 /nfs/dbraw/zinc/30/48/50/301304850.db2.gz XOXPIIFZKQIUQI-JQWIXIFHSA-N 0 3 320.349 1.170 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c(=O)[n-]1 ZINC000370263412 301304853 /nfs/dbraw/zinc/30/48/53/301304853.db2.gz XOXPIIFZKQIUQI-JQWIXIFHSA-N 0 3 320.349 1.170 20 5 DDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000370465581 301344470 /nfs/dbraw/zinc/34/44/70/301344470.db2.gz TWVADDFRNRVSHC-RYUDHWBXSA-N 0 3 323.324 1.327 20 5 DDBDHN COc1cc(N2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000375901682 302013203 /nfs/dbraw/zinc/01/32/03/302013203.db2.gz CRIOCWMJSJGTAX-ZFWWWQNUSA-N 0 3 321.377 1.639 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H]3OCC[C@H]3C2)c1 ZINC000376034707 302028370 /nfs/dbraw/zinc/02/83/70/302028370.db2.gz MDQJISUIVLKWBF-JGGQBBKZSA-N 0 3 322.361 1.445 20 5 DDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])C12CCCN1CCC2 ZINC000377905554 302249076 /nfs/dbraw/zinc/24/90/76/302249076.db2.gz SURAIBVRXCCJRY-UHFFFAOYSA-N 0 3 303.362 1.882 20 5 DDBDHN CNc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000538714001 303390045 /nfs/dbraw/zinc/39/00/45/303390045.db2.gz GFVUDZNREXXXAJ-ABAIWWIYSA-N 0 3 318.377 1.803 20 5 DDBDHN O=C(CCN1C[C@H]2[C@H](CO)[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000366442182 307073877 /nfs/dbraw/zinc/07/38/77/307073877.db2.gz QDSSICFBGNWCHN-GDNZZTSVSA-N 0 3 305.334 1.094 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCCN(C2CCOCC2)CC1 ZINC000369543747 307123219 /nfs/dbraw/zinc/12/32/19/307123219.db2.gz LRRFUBONVLOHRS-UHFFFAOYSA-N 0 3 323.349 1.515 20 5 DDBDHN O=C(CCN1C[C@H](O)C2(CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000372297519 307167969 /nfs/dbraw/zinc/16/79/69/307167969.db2.gz VKEVZPPGVCPWTH-ZDUSSCGKSA-N 0 3 305.334 1.380 20 5 DDBDHN CN1CCC(N2CC[C@@H](Nc3ncc([N+](=O)[O-])s3)C2)CC1 ZINC000374422491 307208074 /nfs/dbraw/zinc/20/80/74/307208074.db2.gz KDFYPZOKTPIHFU-SNVBAGLBSA-N 0 3 311.411 1.632 20 5 DDBDHN C[C@@H]1CC[C@@H](O)CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000421021461 307300703 /nfs/dbraw/zinc/30/07/03/307300703.db2.gz OBYSYWSVYKWLTO-UPJWGTAASA-N 0 3 310.350 1.180 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(C3CC3)cc2)c1 ZINC000580185830 308585852 /nfs/dbraw/zinc/58/58/52/308585852.db2.gz YABISZOZIAKNKU-MRXNPFEDSA-N 0 3 316.361 1.819 20 5 DDBDHN CSC1(CNc2ncc([N+](=O)[O-])c(N)n2)CCN(C)CC1 ZINC000357575423 484510158 /nfs/dbraw/zinc/51/01/58/484510158.db2.gz BZCFVWPGLWBYPE-UHFFFAOYSA-N 0 3 312.399 1.206 20 5 DDBDHN COC(=O)Cc1ccc(NCC2=CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000294846192 533762479 /nfs/dbraw/zinc/76/24/79/533762479.db2.gz BVEDTASELDSGTQ-UHFFFAOYSA-N 0 3 319.361 1.984 20 5 DDBDHN C[C@H](NCCN1C(=O)NC(C)(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000296807668 533857827 /nfs/dbraw/zinc/85/78/27/533857827.db2.gz URBHHCUVPIWVAK-JTQLQIEISA-N 0 3 320.349 1.576 20 5 DDBDHN C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1C ZINC000331338430 534461538 /nfs/dbraw/zinc/46/15/38/534461538.db2.gz JMEIXTJWSHQKBG-CHWSQXEVSA-N 0 3 320.393 1.948 20 5 DDBDHN CC(C)OC[C@H](CO)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000433266842 528024591 /nfs/dbraw/zinc/02/45/91/528024591.db2.gz BRZGMOQSBOHKKF-ZDUSSCGKSA-N 0 3 312.366 1.691 20 5 DDBDHN C[NH+]1CCC(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000736850050 598247046 /nfs/dbraw/zinc/24/70/46/598247046.db2.gz YKBGJSKILPBSTA-UHFFFAOYSA-N 0 3 317.353 1.529 20 5 DDBDHN C[NH+]1CCC(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000736850050 598247048 /nfs/dbraw/zinc/24/70/48/598247048.db2.gz YKBGJSKILPBSTA-UHFFFAOYSA-N 0 3 317.353 1.529 20 5 DDBDHN CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736328956 598420868 /nfs/dbraw/zinc/42/08/68/598420868.db2.gz ZMTWTQCFYGRWRP-JTQLQIEISA-N 0 3 319.369 1.917 20 5 DDBDHN CC[C@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736328956 598420870 /nfs/dbraw/zinc/42/08/70/598420870.db2.gz ZMTWTQCFYGRWRP-JTQLQIEISA-N 0 3 319.369 1.917 20 5 DDBDHN CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736328956 598420872 /nfs/dbraw/zinc/42/08/72/598420872.db2.gz ZMTWTQCFYGRWRP-JTQLQIEISA-N 0 3 319.369 1.917 20 5 DDBDHN CC[C@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736328956 598420873 /nfs/dbraw/zinc/42/08/73/598420873.db2.gz ZMTWTQCFYGRWRP-JTQLQIEISA-N 0 3 319.369 1.917 20 5 DDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCCN(C/C=C/Cl)C2 ZINC000981764129 696907221 /nfs/dbraw/zinc/90/72/21/696907221.db2.gz NNMVCUKBWWYBLT-VNPHXJNISA-N 0 3 313.785 1.329 20 5 DDBDHN CON(C)C(=O)CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000799127760 700120856 /nfs/dbraw/zinc/12/08/56/700120856.db2.gz XOAQNYNWGDHGCJ-UHFFFAOYSA-N 0 3 307.350 1.969 20 5 DDBDHN O=[N+]([O-])c1ccc(F)cc1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000178489993 697425242 /nfs/dbraw/zinc/42/52/42/697425242.db2.gz SZIBTDYXUQLRIK-CYBMUJFWSA-N 0 3 323.368 1.888 20 5 DDBDHN CC1(C)CCNCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000725372930 699331452 /nfs/dbraw/zinc/33/14/52/699331452.db2.gz COGXJHZTJWXZIK-UHFFFAOYSA-N 0 3 313.379 1.357 20 5 DDBDHN COc1c(C(=O)NCCN2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000795271000 699855025 /nfs/dbraw/zinc/85/50/25/699855025.db2.gz PNFDDHCXADJCES-NSHDSACASA-N 0 3 307.350 1.818 20 5 DDBDHN CC(COC(=O)c1cn(-c2cccc(Cl)c2)nn1)[N+](=O)[O-] ZINC000813109984 702295866 /nfs/dbraw/zinc/29/58/66/702295866.db2.gz QXDJJRNOOOQUPA-MRVPVSSYSA-N 0 3 310.697 1.743 20 5 DDBDHN CC(COC(=O)c1cccc(CS(C)(=O)=O)c1)[N+](=O)[O-] ZINC000813111247 702296975 /nfs/dbraw/zinc/29/69/75/702296975.db2.gz DSULWSDDGJUSFK-SECBINFHSA-N 0 3 301.320 1.053 20 5 DDBDHN COc1ccccc1N1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813113395 702297975 /nfs/dbraw/zinc/29/79/75/702297975.db2.gz CYQAGWWUALHKPN-QWRGUYRKSA-N 0 3 322.317 1.257 20 5 DDBDHN CCc1nc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1ccccc1 ZINC000813112748 702298362 /nfs/dbraw/zinc/29/83/62/702298362.db2.gz KIMQVSKBEFQVEG-SNVBAGLBSA-N 0 3 304.306 1.652 20 5 DDBDHN CC1(C)CNCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818524135 702658396 /nfs/dbraw/zinc/65/83/96/702658396.db2.gz COZCSBBJDAVPLM-UHFFFAOYSA-N 0 3 317.349 1.155 20 5 DDBDHN Cc1c(C(=O)N2CCNCC2(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818524082 702658489 /nfs/dbraw/zinc/65/84/89/702658489.db2.gz AMDUYDOIFYAXKK-UHFFFAOYSA-N 0 3 322.321 1.635 20 5 DDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000843455381 702885482 /nfs/dbraw/zinc/88/54/82/702885482.db2.gz NOPPKFNIIJHILP-DTWKUNHWSA-N 0 3 322.321 1.634 20 5 DDBDHN CC(COC(=O)c1ccc(C(=O)OC(C)(C)C)nc1)[N+](=O)[O-] ZINC000845577591 703177539 /nfs/dbraw/zinc/17/75/39/703177539.db2.gz XICOGNXDYBXPFZ-VIFPVBQESA-N 0 3 310.306 1.859 20 5 DDBDHN CC([C@@H](OC(=O)c1cnn(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845882595 703211939 /nfs/dbraw/zinc/21/19/39/703211939.db2.gz OUWCWCVBRZKWMF-PRHODGIISA-N 0 3 308.269 1.518 20 5 DDBDHN Cc1noc(CN2CCC(N3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000879595300 706732049 /nfs/dbraw/zinc/73/20/49/706732049.db2.gz XZJCHMJTYOWDBT-UHFFFAOYSA-N 0 3 323.397 1.103 20 5 DDBDHN C[C@@H](C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000848580632 703565193 /nfs/dbraw/zinc/56/51/93/703565193.db2.gz CBRQNIIDNCJIKW-VIFPVBQESA-N 0 3 317.292 1.633 20 5 DDBDHN CC(COC(=O)c1ccc2[nH]c(=O)n(C3CC3)c2c1)[N+](=O)[O-] ZINC000851036918 703774973 /nfs/dbraw/zinc/77/49/73/703774973.db2.gz NQUCJIFKMUBQCT-MRVPVSSYSA-N 0 3 305.290 1.899 20 5 DDBDHN CC(COC(=O)c1c(C(F)F)nc2n1CCCC2)[N+](=O)[O-] ZINC000870378407 704015449 /nfs/dbraw/zinc/01/54/49/704015449.db2.gz WLEHTFIVJISTTF-SSDOTTSWSA-N 0 3 303.265 1.979 20 5 DDBDHN C[C@@H]1CCCCN1CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825099413 705599263 /nfs/dbraw/zinc/59/92/63/705599263.db2.gz ZCLTXVLJADWJHE-IUODEOHRSA-N 0 3 321.377 1.619 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827035608 705916003 /nfs/dbraw/zinc/91/60/03/705916003.db2.gz RPHTYFSOPSWULA-VCTAVGKDSA-N 0 3 319.361 1.227 20 5 DDBDHN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@H]1CCCN1CCCO ZINC000828421710 706176445 /nfs/dbraw/zinc/17/64/45/706176445.db2.gz LZIKCMNPTRKKFJ-LLVKDONJSA-N 0 3 324.337 1.762 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCN1C ZINC000830110205 706456323 /nfs/dbraw/zinc/45/63/23/706456323.db2.gz BQSDJGYEUARYBU-AQNFWKISSA-N 0 3 303.362 1.907 20 5 DDBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000867307883 706954822 /nfs/dbraw/zinc/95/48/22/706954822.db2.gz DQPLNOAVOBHSPB-SCZZXKLOSA-N 0 3 319.408 1.369 20 5 DDBDHN CCN(CCn1cc([N+](=O)[O-])cn1)[C@H](CO)c1ccccc1 ZINC000880460705 706981860 /nfs/dbraw/zinc/98/18/60/706981860.db2.gz BNSOSEYWAZWBGQ-OAHLLOKOSA-N 0 3 304.350 1.847 20 5 DDBDHN CC(COC(=O)c1ccc(NC(=O)C(C)(C)C)nc1)[N+](=O)[O-] ZINC000835453813 707255139 /nfs/dbraw/zinc/25/51/39/707255139.db2.gz GWLYNBSMLOUSTE-SECBINFHSA-N 0 3 309.322 1.888 20 5 DDBDHN CC(C)(C)OCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000882331897 707588277 /nfs/dbraw/zinc/58/82/77/707588277.db2.gz MHIMEQXPAIXYIW-CHWSQXEVSA-N 0 3 313.398 1.001 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCCN3CCO)n1 ZINC000897221940 708259338 /nfs/dbraw/zinc/25/93/38/708259338.db2.gz QOMCJTZXKNQCEC-OLZOCXBDSA-N 0 3 306.366 1.334 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CO)CN2CCCC2)c1C ZINC000897766613 708443617 /nfs/dbraw/zinc/44/36/17/708443617.db2.gz QIMVBKHVCOIRKR-ZDUSSCGKSA-N 0 3 321.377 1.398 20 5 DDBDHN C[C@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CN2CCC1CC2 ZINC000892798892 710502037 /nfs/dbraw/zinc/50/20/37/710502037.db2.gz FWBWQLAEMIJTPT-INIZCTEOSA-N 0 3 303.362 1.738 20 5 DDBDHN COc1cc([C@H](C)NCCNC(=O)C2CC2)cc([N+](=O)[O-])c1 ZINC000903057671 711018991 /nfs/dbraw/zinc/01/89/91/711018991.db2.gz KIAYBKLCXUMRLZ-JTQLQIEISA-N 0 3 307.350 1.780 20 5 DDBDHN COc1cc([C@H](C)N[C@@H](C)[C@H]2CN(C)CCO2)cc([N+](=O)[O-])c1 ZINC000903125516 711040679 /nfs/dbraw/zinc/04/06/79/711040679.db2.gz MTGSMMQRYZPQPD-MQIPJXDCSA-N 0 3 323.393 1.973 20 5 DDBDHN COc1cc([C@H](C)N[C@H](C)[C@H]2CN(C)CCO2)cc([N+](=O)[O-])c1 ZINC000903125513 711040840 /nfs/dbraw/zinc/04/08/40/711040840.db2.gz MTGSMMQRYZPQPD-HWWQOWPSSA-N 0 3 323.393 1.973 20 5 DDBDHN Cc1ccc([C@@H](C)NC[C@]2(CO)COCCN2C)cc1[N+](=O)[O-] ZINC000903285920 711089203 /nfs/dbraw/zinc/08/92/03/711089203.db2.gz WTZZCEKOIZQUEN-CJNGLKHVSA-N 0 3 323.393 1.247 20 5 DDBDHN CNc1ccc(C(=O)N[C@]2(C)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000912384336 711303759 /nfs/dbraw/zinc/30/37/59/711303759.db2.gz VIFRMHCQCSZIQG-MRXNPFEDSA-N 0 3 318.377 1.851 20 5 DDBDHN COc1c([O-])ccc(CN(C)C[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000894981424 711349453 /nfs/dbraw/zinc/34/94/53/711349453.db2.gz IFUVBUPBGVTVQW-LBPRGKRZSA-N 0 3 309.366 1.835 20 5 DDBDHN COc1c([O-])ccc(CN(C)C[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000894981424 711349457 /nfs/dbraw/zinc/34/94/57/711349457.db2.gz IFUVBUPBGVTVQW-LBPRGKRZSA-N 0 3 309.366 1.835 20 5 DDBDHN COc1cc(CN[C@H]2COC[C@H]2C2CC2)c([N+](=O)[O-])cc1O ZINC000914432766 713395035 /nfs/dbraw/zinc/39/50/35/713395035.db2.gz DMKXZBDEWKXPKC-RYUDHWBXSA-N 0 3 308.334 1.824 20 5 DDBDHN CC(C)(CO)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000916573036 713458686 /nfs/dbraw/zinc/45/86/86/713458686.db2.gz UOEJQSPQXFGQGI-UHFFFAOYSA-N 0 3 301.730 1.547 20 5 DDBDHN C[C@@](CO)(NC[C@@H]1CCC2(COC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000931468802 714104775 /nfs/dbraw/zinc/10/47/75/714104775.db2.gz FTCQXCMDLNPRGN-GJZGRUSLSA-N 0 3 322.361 1.340 20 5 DDBDHN COc1cc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c([N+](=O)[O-])cc1[O-] ZINC000922724095 714128042 /nfs/dbraw/zinc/12/80/42/714128042.db2.gz RAQCCWKELFLIOC-UHTWSYAYSA-N 0 3 320.345 1.990 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933757254 714665190 /nfs/dbraw/zinc/66/51/90/714665190.db2.gz MMLOVRYGUCOCSV-LRDDRELGSA-N 0 3 319.361 1.691 20 5 DDBDHN Cc1nc(N2CCC(N3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000866212865 749158973 /nfs/dbraw/zinc/15/89/73/749158973.db2.gz JXBTXBIRACOQQG-UHFFFAOYSA-N 0 3 319.409 1.514 20 5 DDBDHN O=C(CCC(F)F)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001131394185 768111522 /nfs/dbraw/zinc/11/15/22/768111522.db2.gz KNBUDJMSAXHBPZ-UHFFFAOYSA-N 0 3 301.293 1.846 20 5 DDBDHN CCOC(=O)c1ccc(N[C@H](C)[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001170569516 768182679 /nfs/dbraw/zinc/18/26/79/768182679.db2.gz JFTJYBKFDQGVKH-YGRLFVJLSA-N 0 3 323.349 1.560 20 5 DDBDHN CCC1([N-]c2nc(Cl)nc(SC)c2[N+](=O)[O-])C[NH2+]C1 ZINC001157784462 766634989 /nfs/dbraw/zinc/63/49/89/766634989.db2.gz CWCAMJGXURQOBM-UHFFFAOYSA-N 0 3 303.775 1.924 20 5 DDBDHN O=C(CC1=CCOCC1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001133398752 769770204 /nfs/dbraw/zinc/77/02/04/769770204.db2.gz LUQZQVVSPWQBBY-UHFFFAOYSA-N 0 3 319.361 1.537 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1(CF)CCC1 ZINC001134037188 770575418 /nfs/dbraw/zinc/57/54/18/770575418.db2.gz VLNLESCBKRHNCX-UHFFFAOYSA-N 0 3 309.341 1.940 20 5 DDBDHN CCn1ccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)n1 ZINC001134770531 771166692 /nfs/dbraw/zinc/16/66/92/771166692.db2.gz YBDFEZFEDPIKGR-UHFFFAOYSA-N 0 3 317.349 1.331 20 5 DDBDHN CC1(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001135357086 771460977 /nfs/dbraw/zinc/46/09/77/771460977.db2.gz SNVHCVHLEFOUIX-UHFFFAOYSA-N 0 3 321.377 1.617 20 5 DDBDHN C[C@]1(NC(=O)c2cccc([N+](=O)[O-])c2N)CN2CCC1CC2 ZINC001146873312 772974791 /nfs/dbraw/zinc/97/47/91/772974791.db2.gz GRRMFPUEBIIAOD-HNNXBMFYSA-N 0 3 304.350 1.391 20 5 DDBDHN CC(C)N(C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001110158579 775939452 /nfs/dbraw/zinc/93/94/52/775939452.db2.gz MIBBZPNKGUPKHA-UHFFFAOYSA-N 0 3 320.393 1.996 20 5 DDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(N2CCN(C)CC2)C1 ZINC001173231633 777063218 /nfs/dbraw/zinc/06/32/18/777063218.db2.gz NFUQPFZWZPHAAY-CQSZACIVSA-N 0 3 318.421 1.457 20 5 DDBDHN CCN(CC)CC(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1 ZINC001101628564 777323983 /nfs/dbraw/zinc/32/39/83/777323983.db2.gz QYMCWTWJWMWMSM-UHFFFAOYSA-N 0 3 308.382 1.807 20 5 DDBDHN COC(=O)[C@H]1CCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001116836106 780565854 /nfs/dbraw/zinc/56/58/54/780565854.db2.gz ZXIJHMAIQXQPAH-RYUDHWBXSA-N 0 3 321.333 1.125 20 5 DDBDHN CC(C)(O)CC(=O)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001273990666 851787535 /nfs/dbraw/zinc/78/75/35/851787535.db2.gz JLWWCNDPVDVWNZ-ARJAWSKDSA-N 0 3 321.377 1.518 20 5 DDBDHN COc1nc(C)c([N+](=O)[O-])c(N[C@H]2CCN(C3CCC3)C2)n1 ZINC001161177803 859978981 /nfs/dbraw/zinc/97/89/81/859978981.db2.gz UOCVEWPWIWBDQU-JTQLQIEISA-N 0 3 307.354 1.741 20 5 DDBDHN NCc1cc(-c2ccncc2)nn1-c1ncc([N+](=O)[O-])cc1N ZINC001160339299 865792168 /nfs/dbraw/zinc/79/21/68/865792168.db2.gz HBJISGBBMZHVFT-UHFFFAOYSA-N 0 3 311.305 1.278 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1-c1nc([C@H]2CN3CCC2CC3)no1 ZINC001321126766 867338460 /nfs/dbraw/zinc/33/84/60/867338460.db2.gz XCPBJUGVPYMDSG-NSHDSACASA-N 0 3 303.322 1.793 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@]1(C)CCCN(C)C1 ZINC001162341319 867474755 /nfs/dbraw/zinc/47/47/55/867474755.db2.gz KLEAAZHIFNNZKH-AWEZNQCLSA-N 0 3 308.338 1.673 20 5 DDBDHN COC(=O)c1cc(N[C@H]2CN3CCC2CC3)cc([N+](=O)[O-])c1 ZINC001163393975 868414806 /nfs/dbraw/zinc/41/48/06/868414806.db2.gz AOKLKMRYAPLKRH-AWEZNQCLSA-N 0 3 305.334 1.888 20 5 DDBDHN CN(CCNCc1nc2ccccc2o1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317585322 871143450 /nfs/dbraw/zinc/14/34/50/871143450.db2.gz PDJGQBPKIKHAKT-ZYHUDNBSSA-N 0 3 318.333 1.041 20 5 DDBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001341141128 871524134 /nfs/dbraw/zinc/52/41/34/871524134.db2.gz PWTLZCCQOQFRSO-RWMBFGLXSA-N 0 3 320.393 1.994 20 5 DDBDHN O=C(NCC[NH+]1CC=CC1)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC001318704980 872217827 /nfs/dbraw/zinc/21/78/27/872217827.db2.gz KMUWRVSRAMKELA-UHFFFAOYSA-N 0 3 301.306 1.073 20 5 DDBDHN O=C(CNC[C@@H]1CCCO1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345597260 873450426 /nfs/dbraw/zinc/45/04/26/873450426.db2.gz LFTOJJLIOUFMCU-AWEZNQCLSA-N 0 3 305.334 1.206 20 5 DDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001348998648 874915749 /nfs/dbraw/zinc/91/57/49/874915749.db2.gz MLTKTYAHMOTCFZ-VXGBXAGGSA-N 0 3 322.340 1.625 20 5 DDBDHN C[C@H]([NH2+]C1CCN(CC(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1 ZINC001350622694 875789241 /nfs/dbraw/zinc/78/92/41/875789241.db2.gz FODOTWRIKSVRGR-NSHDSACASA-N 0 3 307.350 1.794 20 5 DDBDHN CN1CC[C@H](Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])C1 ZINC001227448635 883026295 /nfs/dbraw/zinc/02/62/95/883026295.db2.gz HODLYXMZJYBFKL-ZDUSSCGKSA-N 0 3 312.325 1.614 20 5 DDBDHN CN(C)C1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCCC1 ZINC001290275503 913404694 /nfs/dbraw/zinc/40/46/94/913404694.db2.gz RETWXFSUXCYVTA-UHFFFAOYSA-N 0 3 320.393 1.997 20 5 DDBDHN CC(C)(C)N1CCCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001292259343 913628365 /nfs/dbraw/zinc/62/83/65/913628365.db2.gz WVZJHZRKKSTAFS-UHFFFAOYSA-N 0 3 321.381 1.518 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2coc3ccccc23)c1 ZINC000563531097 303958963 /nfs/dbraw/zinc/95/89/63/303958963.db2.gz ZYEUQLLAYBEAQN-CYBMUJFWSA-N 0 3 316.317 1.688 20 5 DDBDHN O=C1C[C@@]2(CCN(CCOc3ccccc3[N+](=O)[O-])C2)CN1 ZINC000278760989 214383067 /nfs/dbraw/zinc/38/30/67/214383067.db2.gz BNOGNRNNMGBMGG-HNNXBMFYSA-N 0 3 305.334 1.186 20 5 DDBDHN Cc1cc(C(=O)NC[C@@H]2CCCN2CCCO)cc([N+](=O)[O-])c1 ZINC000452346739 231354088 /nfs/dbraw/zinc/35/40/88/231354088.db2.gz HGJYUROXNWEBRQ-AWEZNQCLSA-N 0 3 321.377 1.480 20 5 DDBDHN CCCN(CCN1CCCC1)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000286611696 219082287 /nfs/dbraw/zinc/08/22/87/219082287.db2.gz BWTIUPXVPJCSAU-UHFFFAOYSA-N 0 3 323.397 1.585 20 5 DDBDHN CN(C[C@H]1CCCN1C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000420813313 529966627 /nfs/dbraw/zinc/96/66/27/529966627.db2.gz YGYMQIKJBWLYOC-CYBMUJFWSA-N 0 3 306.366 1.830 20 5 DDBDHN CN(C(=O)CN[C@H](CO)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000289456643 282349778 /nfs/dbraw/zinc/34/97/78/282349778.db2.gz GLMIZILJPHTYDL-OAHLLOKOSA-N 0 3 321.377 1.698 20 5 DDBDHN CN1CC[C@@]2(CCN(c3nc4sccn4c3[N+](=O)[O-])C2)C1 ZINC000292391674 282355527 /nfs/dbraw/zinc/35/55/27/282355527.db2.gz UBIXIYLJJPBOGV-CYBMUJFWSA-N 0 3 307.379 1.836 20 5 DDBDHN CN1CCN(CCC(C)(C)NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000331009141 530072123 /nfs/dbraw/zinc/07/21/23/530072123.db2.gz RCFHNKGSVVATNA-UHFFFAOYSA-N 0 3 323.397 1.069 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272562889 209979339 /nfs/dbraw/zinc/97/93/39/209979339.db2.gz UNRDILDCLUKAFC-TZMCWYRMSA-N 0 3 319.361 1.526 20 5 DDBDHN CCN1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000021481587 352173232 /nfs/dbraw/zinc/17/32/32/352173232.db2.gz YGMOLQREWOPHDT-UHFFFAOYSA-N 0 3 321.377 1.883 20 5 DDBDHN C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000041597159 352309661 /nfs/dbraw/zinc/30/96/61/352309661.db2.gz ADYILTRCTQFMIG-LLVKDONJSA-N 0 3 320.349 1.134 20 5 DDBDHN CN1CCC[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000052519050 352613377 /nfs/dbraw/zinc/61/33/77/352613377.db2.gz WMYVTTSXKJSPTE-ZDUSSCGKSA-N 0 3 321.381 1.400 20 5 DDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCNC2CC2)c1C ZINC000054266970 352685237 /nfs/dbraw/zinc/68/52/37/352685237.db2.gz NONXYYFRDQLYBH-UHFFFAOYSA-N 0 3 313.379 1.242 20 5 DDBDHN C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)N1CCCC[C@@H]1C ZINC000055362621 352730128 /nfs/dbraw/zinc/73/01/28/352730128.db2.gz HYFYOIFIFATVMS-RYUDHWBXSA-N 0 3 309.370 1.170 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000057716566 352825833 /nfs/dbraw/zinc/82/58/33/352825833.db2.gz AHQZNMYGUSGGNL-SNVBAGLBSA-N 0 3 307.350 1.816 20 5 DDBDHN C[C@H]1CCCCN1CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000063812469 352925930 /nfs/dbraw/zinc/92/59/30/352925930.db2.gz HPBFNSLFFWLSGP-LBPRGKRZSA-N 0 3 309.370 1.172 20 5 DDBDHN COc1ccc(CC(=O)NCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000067907065 353074950 /nfs/dbraw/zinc/07/49/50/353074950.db2.gz IKGVHYBSJIDRSQ-UHFFFAOYSA-N 0 3 321.377 1.748 20 5 DDBDHN COCCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000069502311 353164522 /nfs/dbraw/zinc/16/45/22/353164522.db2.gz NQAFUKCBSYIPOU-CQSZACIVSA-N 0 3 321.377 1.744 20 5 DDBDHN Cn1cc(CCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000072665167 353208047 /nfs/dbraw/zinc/20/80/47/353208047.db2.gz FBXFJFOMKCVVEJ-CYBMUJFWSA-N 0 3 316.365 1.452 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](CO)CC1 ZINC000293056327 354453279 /nfs/dbraw/zinc/45/32/79/354453279.db2.gz IFHQJXOLRKTUPR-UONOGXRCSA-N 0 3 324.377 1.429 20 5 DDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cncn1C ZINC000289700911 354441517 /nfs/dbraw/zinc/44/15/17/354441517.db2.gz IOZBOHKMJYSNTL-LLVKDONJSA-N 0 3 317.349 1.835 20 5 DDBDHN CN(C)C[C@H](CO)Nc1ncc([N+](=O)[O-])cc1Br ZINC000589101770 354959588 /nfs/dbraw/zinc/95/95/88/354959588.db2.gz KMWVYDDKAZIDSM-SSDOTTSWSA-N 0 3 319.159 1.087 20 5 DDBDHN CN1C[C@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC000590012856 355041897 /nfs/dbraw/zinc/04/18/97/355041897.db2.gz ZWWMMEGCKZHOJH-YGRLFVJLSA-N 0 3 301.350 1.607 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590047002 355043649 /nfs/dbraw/zinc/04/36/49/355043649.db2.gz SCONKIOSKQMRRM-UKRRQHHQSA-N 0 3 303.362 1.690 20 5 DDBDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000590753060 355165212 /nfs/dbraw/zinc/16/52/12/355165212.db2.gz ZXIJHMAIQXQPAH-NEPJUHHUSA-N 0 3 321.333 1.125 20 5 DDBDHN NC(=O)[C@@H]1CC[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590663643 355139799 /nfs/dbraw/zinc/13/97/99/355139799.db2.gz VVKHMGRAJSJBPS-KOLCDFICSA-N 0 3 321.333 1.110 20 5 DDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000591686250 355362373 /nfs/dbraw/zinc/36/23/73/355362373.db2.gz YGZHYHDAUXQSRC-UWVGGRQHSA-N 0 3 311.313 1.423 20 5 DDBDHN CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)O ZINC000592431090 355580937 /nfs/dbraw/zinc/58/09/37/355580937.db2.gz ZMRFPCLIEJIXMN-MFKMUULPSA-N 0 3 316.379 1.118 20 5 DDBDHN CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000593070123 355786497 /nfs/dbraw/zinc/78/64/97/355786497.db2.gz QEOYVGDPXCAEGZ-CYBMUJFWSA-N 0 3 309.341 1.829 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000594026411 356093305 /nfs/dbraw/zinc/09/33/05/356093305.db2.gz AXDRKFNUAXPFEZ-LSDHHAIUSA-N 0 3 321.377 1.244 20 5 DDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000346715502 283145096 /nfs/dbraw/zinc/14/50/96/283145096.db2.gz AVVHTWHGOJAULP-LBPRGKRZSA-N 0 3 324.381 1.116 20 5 DDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000594613781 356266385 /nfs/dbraw/zinc/26/63/85/356266385.db2.gz UORWFRXNXYLKQP-RVDBLKIQSA-N 0 3 317.389 1.749 20 5 DDBDHN O=[N+]([O-])c1cc([O-])ccc1-n1cc(CC[NH+]2CCCCC2)nn1 ZINC000594652893 356276227 /nfs/dbraw/zinc/27/62/27/356276227.db2.gz QAUJZQXUKOELEG-UHFFFAOYSA-N 0 3 317.349 1.910 20 5 DDBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCNC1=O ZINC000595053294 356377027 /nfs/dbraw/zinc/37/70/27/356377027.db2.gz FYKOTSIQSRGERL-QWRGUYRKSA-N 0 3 309.391 1.944 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595228840 356412471 /nfs/dbraw/zinc/41/24/71/356412471.db2.gz OPKPGNBOWBRCHG-NXEZZACHSA-N 0 3 312.301 1.506 20 5 DDBDHN N[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1F ZINC000595907450 356700608 /nfs/dbraw/zinc/70/06/08/356700608.db2.gz UOHIIWVYRQJERA-VXGBXAGGSA-N 0 3 321.312 1.516 20 5 DDBDHN O=c1[n-]ccc(NCC2([NH+]3CCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000596114702 356777990 /nfs/dbraw/zinc/77/79/90/356777990.db2.gz NAQWAGHKBPUFAH-UHFFFAOYSA-N 0 3 322.365 1.752 20 5 DDBDHN O=[N+]([O-])c1cccnc1N1CCC(N2CCCOCC2)CC1 ZINC000596268207 356838610 /nfs/dbraw/zinc/83/86/10/356838610.db2.gz HXAZWCWSSIFDBR-UHFFFAOYSA-N 0 3 306.366 1.681 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000597859806 357362549 /nfs/dbraw/zinc/36/25/49/357362549.db2.gz YHYYXJJETDVDPL-LBPRGKRZSA-N 0 3 323.397 1.479 20 5 DDBDHN CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@@H]1CCN(C)C1 ZINC000597946291 357395045 /nfs/dbraw/zinc/39/50/45/357395045.db2.gz NKFYEUQTEJYECG-CYBMUJFWSA-N 0 3 323.397 1.351 20 5 DDBDHN COC(=O)c1ccnc(N[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598599465 357648951 /nfs/dbraw/zinc/64/89/51/357648951.db2.gz OIWMFSGPDNZREM-VHSXEESVSA-N 0 3 308.338 1.671 20 5 DDBDHN COC(=O)c1ccnc(NCC2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000598614727 357654372 /nfs/dbraw/zinc/65/43/72/357654372.db2.gz SIKWJJLSEZIURZ-UHFFFAOYSA-N 0 3 306.322 1.450 20 5 DDBDHN O=C(NC[C@H]1CNCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598916233 357757772 /nfs/dbraw/zinc/75/77/72/357757772.db2.gz TYBOVUISEAKGOH-SECBINFHSA-N 0 3 314.729 1.358 20 5 DDBDHN COC(=O)C1C[C@H](C)N(CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000599688682 358026141 /nfs/dbraw/zinc/02/61/41/358026141.db2.gz LLJMCMRKGCJBPJ-QWRGUYRKSA-N 0 3 310.354 1.453 20 5 DDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCN1C1CCCCC1 ZINC000600229133 358163540 /nfs/dbraw/zinc/16/35/40/358163540.db2.gz PWLAWDBKMXZPGW-CYBMUJFWSA-N 0 3 321.381 1.315 20 5 DDBDHN Cc1ncccc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600762298 358310254 /nfs/dbraw/zinc/31/02/54/358310254.db2.gz QHDTXHDJQIZBLS-HNNXBMFYSA-N 0 3 317.345 1.828 20 5 DDBDHN CS[C@H]1CN(c2ncc(F)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000601136254 358417020 /nfs/dbraw/zinc/41/70/20/358417020.db2.gz YWXZNAYOZWAOOT-MNOVXSKESA-N 0 3 300.359 1.611 20 5 DDBDHN CN1CCN(CCNc2ncc(F)cc2[N+](=O)[O-])CC1(C)C ZINC000601159971 358426448 /nfs/dbraw/zinc/42/64/48/358426448.db2.gz OTCBRLNPVCHKSX-UHFFFAOYSA-N 0 3 311.361 1.567 20 5 DDBDHN CN(C[C@H]1CCCN1C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601175890 358434258 /nfs/dbraw/zinc/43/42/58/358434258.db2.gz RJFRCSYSFSARAW-MRVPVSSYSA-N 0 3 321.303 1.878 20 5 DDBDHN O=[N+]([O-])c1ccc2nccc(N3CC(N4CC[C@@H](O)C4)C3)c2c1 ZINC000601185339 358438532 /nfs/dbraw/zinc/43/85/32/358438532.db2.gz WOUXPWZOFWIYNO-CYBMUJFWSA-N 0 3 314.345 1.398 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000602839812 359229351 /nfs/dbraw/zinc/22/93/51/359229351.db2.gz IVAMJXIHFUMBNX-HUUCEWRRSA-N 0 3 316.361 1.908 20 5 DDBDHN C[C@@H]1CN(CCN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000602963675 359326045 /nfs/dbraw/zinc/32/60/45/359326045.db2.gz YHHHEXCGIUBFBN-CZUORRHYSA-N 0 3 323.393 1.113 20 5 DDBDHN CCN1CCN(C[C@H](C)CNc2cccnc2[N+](=O)[O-])CC1 ZINC000609111599 360260574 /nfs/dbraw/zinc/26/05/74/360260574.db2.gz PIQMSQXLXHZROA-CYBMUJFWSA-N 0 3 307.398 1.675 20 5 DDBDHN CN1CCC[C@H](N2CCN(c3cccnc3[N+](=O)[O-])CC2)C1 ZINC000609675160 360344127 /nfs/dbraw/zinc/34/41/27/360344127.db2.gz ZVPIIDLMKINKNR-ZDUSSCGKSA-N 0 3 305.382 1.206 20 5 DDBDHN CN1CCC[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000609471160 360312001 /nfs/dbraw/zinc/31/20/01/360312001.db2.gz CWHGPHBJPFHBAN-LBPRGKRZSA-N 0 3 322.365 1.367 20 5 DDBDHN CN1CCC(N(CCO)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000610476719 360444449 /nfs/dbraw/zinc/44/44/49/360444449.db2.gz UYCPOACNWZETME-UHFFFAOYSA-N 0 3 311.357 1.622 20 5 DDBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000612086860 360913976 /nfs/dbraw/zinc/91/39/76/360913976.db2.gz YZYIHLRJYCOCLA-GXTWGEPZSA-N 0 3 310.350 1.037 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CC[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000193254245 201014065 /nfs/dbraw/zinc/01/40/65/201014065.db2.gz ARSDYONFZATIDE-JTQLQIEISA-N 0 3 301.368 1.227 20 5 DDBDHN Cn1nnnc1CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618985529 363827887 /nfs/dbraw/zinc/82/78/87/363827887.db2.gz GIWWUHSIMRWKNW-ZDUSSCGKSA-N 0 3 316.365 1.673 20 5 DDBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCN(CC2CCC2)CC1 ZINC000619879243 364172153 /nfs/dbraw/zinc/17/21/53/364172153.db2.gz NWPWSFRGJMMGFS-UHFFFAOYSA-N 0 3 307.354 1.266 20 5 DDBDHN Cc1c(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cnn1C ZINC000566111199 304118835 /nfs/dbraw/zinc/11/88/35/304118835.db2.gz ADYUSBKMKMCMPR-AWEZNQCLSA-N 0 3 320.349 1.166 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1N1CCCC1 ZINC000274977253 212053444 /nfs/dbraw/zinc/05/34/44/212053444.db2.gz BEJLSWMTYBERAA-NWDGAFQWSA-N 0 3 324.406 1.575 20 5 DDBDHN C[C@@H](O)C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000264731290 204112302 /nfs/dbraw/zinc/11/23/02/204112302.db2.gz POJNKIGCSORZQE-IUODEOHRSA-N 0 3 324.377 1.427 20 5 DDBDHN Cc1nn(C)c(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288382075 220121568 /nfs/dbraw/zinc/12/15/68/220121568.db2.gz LUXDJURGMBVELM-JQWIXIFHSA-N 0 3 321.381 1.336 20 5 DDBDHN COc1ccccc1CCN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000174847597 248384628 /nfs/dbraw/zinc/38/46/28/248384628.db2.gz KYYIEJQQXLGAMA-UHFFFAOYSA-N 0 3 304.350 1.974 20 5 DDBDHN COC(=O)c1cn(CCN[C@@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000284591607 218092200 /nfs/dbraw/zinc/09/22/00/218092200.db2.gz XZUADRCRZTZAAU-JTQLQIEISA-N 0 3 319.321 1.324 20 5 DDBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H]1CN1CCCCC1 ZINC000285240872 218347035 /nfs/dbraw/zinc/34/70/35/218347035.db2.gz GNSPREPQTOQPNP-NSHDSACASA-N 0 3 307.354 1.408 20 5 DDBDHN Cc1c([C@H](C)NCCCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000268957226 207121509 /nfs/dbraw/zinc/12/15/09/207121509.db2.gz YZZBCQDJQIXOHD-NSHDSACASA-N 0 3 300.380 1.989 20 5 DDBDHN CC(COC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000495858560 307321045 /nfs/dbraw/zinc/32/10/45/307321045.db2.gz YRRFTXBKERZRKV-SNVBAGLBSA-N 0 3 316.354 1.842 20 5 DDBDHN COc1ccc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272944065 210328869 /nfs/dbraw/zinc/32/88/69/210328869.db2.gz MEKOGDSSZPPAPL-LLVKDONJSA-N 0 3 319.361 1.984 20 5 DDBDHN O=[N+]([O-])c1cnc(NC[C@@H](O)CN2CCCCC2)c(Cl)c1 ZINC000122627383 285180301 /nfs/dbraw/zinc/18/03/01/285180301.db2.gz COMKEDRNUZGCSX-LLVKDONJSA-N 0 3 314.773 1.902 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C[C@@H]1COCCN1 ZINC000422711135 533222782 /nfs/dbraw/zinc/22/27/82/533222782.db2.gz GRAUZRNZMPFUIJ-WCQYABFASA-N 0 3 309.366 1.460 20 5 DDBDHN CNC(=O)CN1CCC(N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000121794757 195349005 /nfs/dbraw/zinc/34/90/05/195349005.db2.gz AHVULSHNIUHOSJ-LBPRGKRZSA-N 0 3 320.393 1.456 20 5 DDBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])CCN1CCOCC1 ZINC000092974696 407193374 /nfs/dbraw/zinc/19/33/74/407193374.db2.gz WDAYHAZRIKAWCK-GQCTYLIASA-N 0 3 305.378 1.872 20 5 DDBDHN CC[NH+](CC)[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066327755 407248468 /nfs/dbraw/zinc/24/84/68/407248468.db2.gz BQRWTCHLQLFSNP-SECBINFHSA-N 0 3 321.424 1.665 20 5 DDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(C)C2)c1 ZINC000104188958 407349243 /nfs/dbraw/zinc/34/92/43/407349243.db2.gz KLEWDCXARQCRPB-JTQLQIEISA-N 0 3 309.391 1.998 20 5 DDBDHN CCCCN(C)CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000112309288 407425528 /nfs/dbraw/zinc/42/55/28/407425528.db2.gz JBFAJZRUFIBJHC-UHFFFAOYSA-N 0 3 311.386 1.375 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000271122555 407525707 /nfs/dbraw/zinc/52/57/07/407525707.db2.gz LBYGTYVTOWNOMU-NXEZZACHSA-N 0 3 315.420 1.774 20 5 DDBDHN CN(CC(=O)N(C)[C@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC000266333749 407537538 /nfs/dbraw/zinc/53/75/38/407537538.db2.gz WJELZZUJZGSIGL-ZDUSSCGKSA-N 0 3 320.393 1.584 20 5 DDBDHN CN(Cc1ccc(Cl)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266381960 407538192 /nfs/dbraw/zinc/53/81/92/407538192.db2.gz AXAXNQDQOGCESE-AWEZNQCLSA-N 0 3 324.768 1.938 20 5 DDBDHN CCN(C)CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000271304598 407627487 /nfs/dbraw/zinc/62/74/87/407627487.db2.gz JQGLWVZHMYRODT-UHFFFAOYSA-N 0 3 309.351 1.281 20 5 DDBDHN C[C@H](NCCCN1CCC[C@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000266820974 407648308 /nfs/dbraw/zinc/64/83/08/407648308.db2.gz ZDLAJTJCQAGOIE-WFASDCNBSA-N 0 3 320.393 1.585 20 5 DDBDHN COCCN(CCN(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000171648918 407729868 /nfs/dbraw/zinc/72/98/68/407729868.db2.gz FGVXTMKFURXXCF-UHFFFAOYSA-N 0 3 310.354 1.637 20 5 DDBDHN CCN1CCN(CCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000130500327 407696744 /nfs/dbraw/zinc/69/67/44/407696744.db2.gz BXTAWVNOKSJOEU-UHFFFAOYSA-N 0 3 320.393 1.869 20 5 DDBDHN CN(C)[C@@]1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CCSC1 ZINC000267148711 407767995 /nfs/dbraw/zinc/76/79/95/407767995.db2.gz WENMHZAXTRPPAH-OAHLLOKOSA-N 0 3 323.418 1.691 20 5 DDBDHN CN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000153493416 407836107 /nfs/dbraw/zinc/83/61/07/407836107.db2.gz BEQJOTKGWPLPSF-CYBMUJFWSA-N 0 3 321.377 1.916 20 5 DDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000262774913 407925058 /nfs/dbraw/zinc/92/50/58/407925058.db2.gz KQSGYQVXJGYYBE-WDEREUQCSA-N 0 3 309.391 1.896 20 5 DDBDHN C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000273060355 408038633 /nfs/dbraw/zinc/03/86/33/408038633.db2.gz YJKRMQOLEQXAJS-GFCCVEGCSA-N 0 3 318.377 1.773 20 5 DDBDHN COCCN(C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000119440136 408070479 /nfs/dbraw/zinc/07/04/79/408070479.db2.gz ZJYZFBNUKLGITF-UHFFFAOYSA-N 0 3 309.366 1.140 20 5 DDBDHN COC[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000136650331 408117343 /nfs/dbraw/zinc/11/73/43/408117343.db2.gz SMHOVADPEDMQJX-HZMBPMFUSA-N 0 3 307.350 1.936 20 5 DDBDHN C[C@@H](O)CN1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000189572957 408055944 /nfs/dbraw/zinc/05/59/44/408055944.db2.gz OQOOYPUHRYIPNQ-UONOGXRCSA-N 0 3 307.394 1.524 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@]1(O)CCSC1 ZINC000176751518 408432206 /nfs/dbraw/zinc/43/22/06/408432206.db2.gz SMTHIPXRWCELQB-CQSZACIVSA-N 0 3 312.391 1.951 20 5 DDBDHN CN1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000247268363 408440990 /nfs/dbraw/zinc/44/09/90/408440990.db2.gz KGDKJGXCIKJHIH-SMDDNHRTSA-N 0 3 315.333 1.493 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(CCO)CC1 ZINC000160669171 408510640 /nfs/dbraw/zinc/51/06/40/408510640.db2.gz STBUDRNDKAHDHT-UHFFFAOYSA-N 0 3 321.377 1.337 20 5 DDBDHN O=C(NC[C@H](O)CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000160698603 408514838 /nfs/dbraw/zinc/51/48/38/408514838.db2.gz JFGADVHGDPMOIU-AWEZNQCLSA-N 0 3 307.350 1.171 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2c2ccncc2)c1 ZINC000270544558 408573492 /nfs/dbraw/zinc/57/34/92/408573492.db2.gz MBWJOXNFVCFQGS-LSDHHAIUSA-N 0 3 317.349 1.384 20 5 DDBDHN CC1(O)CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000177339706 408584421 /nfs/dbraw/zinc/58/44/21/408584421.db2.gz VJOQCMQCMCGSIQ-UHFFFAOYSA-N 0 3 307.350 1.770 20 5 DDBDHN COc1cccc(C(=O)N2CCO[C@@H](CN(C)C)C2)c1[N+](=O)[O-] ZINC000192584901 408614375 /nfs/dbraw/zinc/61/43/75/408614375.db2.gz WAEPTQYAYLERTD-NSHDSACASA-N 0 3 323.349 1.006 20 5 DDBDHN Cc1nn(C)c(C(=O)N(C)[C@H](C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000270736707 408657155 /nfs/dbraw/zinc/65/71/55/408657155.db2.gz BOOMWTGAMQCCNG-LLVKDONJSA-N 0 3 323.397 1.439 20 5 DDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCN2CCC1CC2 ZINC000188826235 163071899 /nfs/dbraw/zinc/07/18/99/163071899.db2.gz DZQORMZVSLLWGG-UHFFFAOYSA-N 0 3 318.377 1.703 20 5 DDBDHN Cc1nn(C)c(C(=O)NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000194189083 163277620 /nfs/dbraw/zinc/27/76/20/163277620.db2.gz KGFJYASMFFOCFV-UHFFFAOYSA-N 0 3 309.370 1.243 20 5 DDBDHN O=c1[nH]c(NCCN2CCCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000286157066 408932953 /nfs/dbraw/zinc/93/29/53/408932953.db2.gz BYIBFJIIXUNQQL-UHFFFAOYSA-N 0 3 303.322 1.751 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000286874025 409000824 /nfs/dbraw/zinc/00/08/24/409000824.db2.gz DPFKSRGMJAPMJZ-VIFPVBQESA-N 0 3 309.322 1.046 20 5 DDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000277500203 408952029 /nfs/dbraw/zinc/95/20/29/408952029.db2.gz PAAIEGIWZIAWKD-DTWKUNHWSA-N 0 3 308.294 1.325 20 5 DDBDHN COc1ccc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000292269748 409013128 /nfs/dbraw/zinc/01/31/28/409013128.db2.gz QARTYDXPLQBCIV-MRXNPFEDSA-N 0 3 319.361 1.771 20 5 DDBDHN Cn1nncc1CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000287385820 409029830 /nfs/dbraw/zinc/02/98/30/409029830.db2.gz PTGOYWCYYHCXKX-AWEZNQCLSA-N 0 3 301.350 1.834 20 5 DDBDHN CS[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1N(C)C ZINC000278165312 409075886 /nfs/dbraw/zinc/07/58/86/409075886.db2.gz ASWWARPGLORLCY-OLZOCXBDSA-N 0 3 321.406 1.953 20 5 DDBDHN CN(C)C1(CN(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCC1 ZINC000283254110 409122100 /nfs/dbraw/zinc/12/21/00/409122100.db2.gz UUKVVKNDZXMOJK-UHFFFAOYSA-N 0 3 324.356 1.872 20 5 DDBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCN(C2CCC2)C1 ZINC000293604298 409146290 /nfs/dbraw/zinc/14/62/90/409146290.db2.gz DCMHEUKNMJIJKT-SNVBAGLBSA-N 0 3 307.354 1.264 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CN1C1CC1 ZINC000279492341 409223708 /nfs/dbraw/zinc/22/37/08/409223708.db2.gz RSEFPJUUPNLAIC-RKDXNWHRSA-N 0 3 322.340 1.671 20 5 DDBDHN CN(C)C(=O)C1(NCCn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000295156454 409346816 /nfs/dbraw/zinc/34/68/16/409346816.db2.gz OEWPCYYSAWHRGE-UHFFFAOYSA-N 0 3 309.370 1.172 20 5 DDBDHN CCN1CCN([C@@H](C)CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000353919338 409560911 /nfs/dbraw/zinc/56/09/11/409560911.db2.gz XTXYHJVFFGYCGO-ZDUSSCGKSA-N 0 3 320.393 1.351 20 5 DDBDHN Cc1cccc(C(=O)NCCNc2ccncc2)c1[N+](=O)[O-] ZINC000338071178 409696451 /nfs/dbraw/zinc/69/64/51/409696451.db2.gz UKXCTLJXBVZMHX-UHFFFAOYSA-N 0 3 300.318 1.562 20 5 DDBDHN C[C@H](CN(C)C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000346189247 409855279 /nfs/dbraw/zinc/85/52/79/409855279.db2.gz FWHBJJHTTFGSIM-LLVKDONJSA-N 0 3 317.349 1.460 20 5 DDBDHN C[C@H](NCCNC(=O)c1cnccn1)c1ccc([N+](=O)[O-])cc1 ZINC000346802127 410160881 /nfs/dbraw/zinc/16/08/81/410160881.db2.gz UFMIYLYDYOULHH-NSHDSACASA-N 0 3 315.333 1.465 20 5 DDBDHN C[C@@H]1CCCCN1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000298735794 410371128 /nfs/dbraw/zinc/37/11/28/410371128.db2.gz KLTUWDHVYUVGKW-CYBMUJFWSA-N 0 3 321.377 1.964 20 5 DDBDHN CN1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299123461 410532561 /nfs/dbraw/zinc/53/25/61/410532561.db2.gz WZFZFRVGHFYIDT-UHFFFAOYSA-N 0 3 306.366 1.484 20 5 DDBDHN CNC(=O)c1ccc(NC[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000301208215 410675571 /nfs/dbraw/zinc/67/55/71/410675571.db2.gz QSUUCKRHZVLQKG-NSHDSACASA-N 0 3 306.366 1.708 20 5 DDBDHN NC(C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C(F)(F)F ZINC000352946922 410693928 /nfs/dbraw/zinc/69/39/28/410693928.db2.gz QBMKJXCDDALYFS-SNVBAGLBSA-N 0 3 303.240 1.369 20 5 DDBDHN COc1cc(CN2CCN(C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000337375107 410744124 /nfs/dbraw/zinc/74/41/24/410744124.db2.gz ZVPPBUKJRAWFPF-CHWSQXEVSA-N 0 3 323.393 1.490 20 5 DDBDHN CNC(=O)[C@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000348180924 410838644 /nfs/dbraw/zinc/83/86/44/410838644.db2.gz IZPXADJUXWCLMG-NWDGAFQWSA-N 0 3 307.350 1.608 20 5 DDBDHN COc1ccc(OCCN2C[C@@H]3CC[C@H](O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000344054453 410924516 /nfs/dbraw/zinc/92/45/16/410924516.db2.gz IXZSRJJQWUKLAJ-LNSITVRQSA-N 0 3 322.361 1.685 20 5 DDBDHN COc1ccc(OCCN2C[C@H](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000362086965 307013712 /nfs/dbraw/zinc/01/37/12/307013712.db2.gz LFXAKBUVMMJIAF-NWDGAFQWSA-N 0 3 310.350 1.542 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC(C)C)CN(C)C)n1 ZINC000191786299 222109072 /nfs/dbraw/zinc/10/90/72/222109072.db2.gz OMNBMLIDAWKYGX-NSHDSACASA-N 0 3 311.386 1.517 20 5 DDBDHN CCc1cnccc1[C@@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361133262 418591487 /nfs/dbraw/zinc/59/14/87/418591487.db2.gz VYKSQWKOBJGQFY-BXUZGUMPSA-N 0 3 319.365 1.460 20 5 DDBDHN CNc1c(C(=O)N(CCOC)CCN(C)C)cccc1[N+](=O)[O-] ZINC000361210319 418605724 /nfs/dbraw/zinc/60/57/24/418605724.db2.gz BFMQELOLJYEHLX-UHFFFAOYSA-N 0 3 324.381 1.287 20 5 DDBDHN CC1(C)[C@H](O)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000361414269 418647920 /nfs/dbraw/zinc/64/79/20/418647920.db2.gz ILSFYHKNTIMSRU-BXUZGUMPSA-N 0 3 310.350 1.180 20 5 DDBDHN COc1ccc(NC(=O)CCN2CC[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000361361351 418633846 /nfs/dbraw/zinc/63/38/46/418633846.db2.gz GBAIXFMVJSLITO-GFCCVEGCSA-N 0 3 323.349 1.653 20 5 DDBDHN CCN(CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C(C)C ZINC000357256833 418651201 /nfs/dbraw/zinc/65/12/01/418651201.db2.gz AXNTXYKJFBLMQI-UHFFFAOYSA-N 0 3 319.365 2.386 20 5 DDBDHN C[C@@H](CO)N1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375512042 418652743 /nfs/dbraw/zinc/65/27/43/418652743.db2.gz QWDJTWBJORIMIZ-LBPRGKRZSA-N 0 3 322.365 1.515 20 5 DDBDHN CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000361593755 418689688 /nfs/dbraw/zinc/68/96/88/418689688.db2.gz HICVYHGTKJRNPY-KGLIPLIRSA-N 0 3 310.350 1.445 20 5 DDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408103123 418788478 /nfs/dbraw/zinc/78/84/78/418788478.db2.gz KREGURGQMXYBNQ-GHMZBOCLSA-N 0 3 307.354 1.027 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H](C)N(C)C)c1F ZINC000411372207 418897824 /nfs/dbraw/zinc/89/78/24/418897824.db2.gz BOJDDOCUJGRFSU-SECBINFHSA-N 0 3 313.329 1.351 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@](O)(C2CC2)C1 ZINC000365839607 418914546 /nfs/dbraw/zinc/91/45/46/418914546.db2.gz RWJVSIRUOVHXNT-CJNGLKHVSA-N 0 3 322.361 1.181 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000372973149 418917601 /nfs/dbraw/zinc/91/76/01/418917601.db2.gz JCTIBSAUMWBMQP-IUODEOHRSA-N 0 3 318.377 1.559 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425049914 228355104 /nfs/dbraw/zinc/35/51/04/228355104.db2.gz PYQJLYYWWBSAPT-SMDDNHRTSA-N 0 3 304.350 1.464 20 5 DDBDHN COc1ccc(C(=O)N(C)C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000421700063 419690351 /nfs/dbraw/zinc/69/03/51/419690351.db2.gz CXXJNMBQJPLKPC-LBPRGKRZSA-N 0 3 307.350 1.770 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)CCN(C)C ZINC000422095547 419840657 /nfs/dbraw/zinc/84/06/57/419840657.db2.gz JMWBUPRMZGCDNK-INIZCTEOSA-N 0 3 323.393 1.644 20 5 DDBDHN Cc1ccc(NC(=O)C(=O)N[C@@H](CN)CC(C)C)cc1[N+](=O)[O-] ZINC000415421621 420058120 /nfs/dbraw/zinc/05/81/20/420058120.db2.gz CVMAPTDXQMBNKA-GFCCVEGCSA-N 0 3 322.365 1.331 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CNCCO1 ZINC000415664848 420141028 /nfs/dbraw/zinc/14/10/28/420141028.db2.gz UOROGOPAWNFAII-LLVKDONJSA-N 0 3 324.337 1.103 20 5 DDBDHN COCCNCCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000415479527 420084005 /nfs/dbraw/zinc/08/40/05/420084005.db2.gz FSWNDYFPVRZBAE-UHFFFAOYSA-N 0 3 310.354 1.569 20 5 DDBDHN Cc1sc(S(=O)(=O)NC[C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000416496863 420394781 /nfs/dbraw/zinc/39/47/81/420394781.db2.gz RAAAQMPMCPUICL-VIFPVBQESA-N 0 3 319.408 1.195 20 5 DDBDHN C[C@@H]1CCCN(CCNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000439102608 420479495 /nfs/dbraw/zinc/47/94/95/420479495.db2.gz TXGOKJUPKPOUGA-LLVKDONJSA-N 0 3 306.366 1.838 20 5 DDBDHN C[C@H](NC1CC1)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000449124359 420954670 /nfs/dbraw/zinc/95/46/70/420954670.db2.gz GMNIKAIVZHQXSM-JQWIXIFHSA-N 0 3 319.365 1.143 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H](CO)c1cnn(C)c1 ZINC000449210900 420970917 /nfs/dbraw/zinc/97/09/17/420970917.db2.gz SGUPBGCLYVUFAC-SMDDNHRTSA-N 0 3 304.350 1.583 20 5 DDBDHN CNc1nc(C(=O)N2CCC[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000455366544 421002910 /nfs/dbraw/zinc/00/29/10/421002910.db2.gz MKQNLBCBQZBOTA-JTQLQIEISA-N 0 3 307.354 1.198 20 5 DDBDHN C[C@H]1CCN(CCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000525804610 421303370 /nfs/dbraw/zinc/30/33/70/421303370.db2.gz FHHOMFUTJUKDLI-ZDUSSCGKSA-N 0 3 320.393 1.489 20 5 DDBDHN COc1ccc(CC(=O)NCC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000526120997 421331954 /nfs/dbraw/zinc/33/19/54/421331954.db2.gz UGONMXLVFOMRAF-UHFFFAOYSA-N 0 3 321.377 1.746 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000548403848 421434039 /nfs/dbraw/zinc/43/40/39/421434039.db2.gz HDWYBMFEWHFEPW-CYBMUJFWSA-N 0 3 308.382 1.784 20 5 DDBDHN CN(C)Cc1cccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])c1 ZINC000548410531 421435044 /nfs/dbraw/zinc/43/50/44/421435044.db2.gz OERQQYUEFQCAKP-UHFFFAOYSA-N 0 3 315.333 1.886 20 5 DDBDHN CN(C[C@@H]1CCCN1C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000571512964 421722272 /nfs/dbraw/zinc/72/22/72/421722272.db2.gz ZGZJERIJVSQVSM-AWEZNQCLSA-N 0 3 306.366 1.830 20 5 DDBDHN CNS(=O)(=O)CCCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000342334483 271380005 /nfs/dbraw/zinc/38/00/05/271380005.db2.gz CDDOWFBDTUZANJ-LLVKDONJSA-N 0 3 315.395 1.493 20 5 DDBDHN CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CN2CCC1CC2 ZINC000347946521 272788481 /nfs/dbraw/zinc/78/84/81/272788481.db2.gz KOLJFORNPLDTTI-OAHLLOKOSA-N 0 3 319.361 1.526 20 5 DDBDHN O=C(c1n[nH]c2c1CNCC2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000188572952 275010275 /nfs/dbraw/zinc/01/02/75/275010275.db2.gz ZGJPDGFVLWLMJA-UHFFFAOYSA-N 0 3 313.317 1.167 20 5 DDBDHN CCN(C)CCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000183120774 279031887 /nfs/dbraw/zinc/03/18/87/279031887.db2.gz URVOVVWSZFOTNM-AWEZNQCLSA-N 0 3 320.349 1.156 20 5 DDBDHN C[C@]1(F)CNCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420266486 280164564 /nfs/dbraw/zinc/16/45/64/280164564.db2.gz QSTBSFVYJPTDMH-AWEZNQCLSA-N 0 3 321.312 1.783 20 5 DDBDHN CN(C)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130541534 281384853 /nfs/dbraw/zinc/38/48/53/281384853.db2.gz UXXNBHWPOOKKFE-UHFFFAOYSA-N 0 3 303.322 1.072 20 5 DDBDHN C[C@H](c1cccs1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246705829 282008168 /nfs/dbraw/zinc/00/81/68/282008168.db2.gz JXKPKNZWVOZHHW-ZYHUDNBSSA-N 0 3 310.379 1.907 20 5 DDBDHN C[C@@H]1CCN(C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000354005115 298336803 /nfs/dbraw/zinc/33/68/03/298336803.db2.gz FBRLTGKWFHQBBU-GFCCVEGCSA-N 0 3 307.350 1.526 20 5 DDBDHN COCCO[C@H]1COCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000362515666 300084018 /nfs/dbraw/zinc/08/40/18/300084018.db2.gz ITONMCAIUZJNHW-GJZGRUSLSA-N 0 3 310.350 1.505 20 5 DDBDHN Cc1cc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc([N+](=O)[O-])c1 ZINC000363125567 300215749 /nfs/dbraw/zinc/21/57/49/300215749.db2.gz RFBOOHWYROVARE-HIFRSBDPSA-N 0 3 319.361 1.496 20 5 DDBDHN C[C@@H](NCc1c([N+](=O)[O-])ncn1C)[C@@H]1COc2ccccc21 ZINC000363836611 300314983 /nfs/dbraw/zinc/31/49/83/300314983.db2.gz VBIHZVLPSODCCT-PWSUYJOCSA-N 0 3 302.334 1.983 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000368504814 301042918 /nfs/dbraw/zinc/04/29/18/301042918.db2.gz SDICCRDUEXHITK-BBRMVZONSA-N 0 3 319.361 1.750 20 5 DDBDHN C[C@@H]1CCN(CCNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000531506000 303247697 /nfs/dbraw/zinc/24/76/97/303247697.db2.gz BBDFBTLFIRGBNT-CYBMUJFWSA-N 0 3 305.378 1.985 20 5 DDBDHN COc1ccc2c(c1)CCN(CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000374390424 307207257 /nfs/dbraw/zinc/20/72/57/307207257.db2.gz WGOGYLZULQRHJP-UHFFFAOYSA-N 0 3 316.361 1.901 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CCCC23CCN(C)CC3)c1[N+](=O)[O-] ZINC000375942952 307234768 /nfs/dbraw/zinc/23/47/68/307234768.db2.gz RXBFWEUSKDVHIC-UHFFFAOYSA-N 0 3 321.381 1.581 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CCCC23CCN(C)CC3)c1[N+](=O)[O-] ZINC000375942952 307234769 /nfs/dbraw/zinc/23/47/69/307234769.db2.gz RXBFWEUSKDVHIC-UHFFFAOYSA-N 0 3 321.381 1.581 20 5 DDBDHN CC(COC(=O)CC[C@@H](C)NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000497286056 307388607 /nfs/dbraw/zinc/38/86/07/307388607.db2.gz OTCWUQMNVPIWHX-NXEZZACHSA-N 0 3 304.343 1.888 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H](O)C1CCOCC1 ZINC000569472975 308145314 /nfs/dbraw/zinc/14/53/14/308145314.db2.gz UDUHFCWWMPBLAY-GDBMZVCRSA-N 0 3 306.362 1.959 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H](O)C1CCOCC1 ZINC000569472982 308145419 /nfs/dbraw/zinc/14/54/19/308145419.db2.gz UDUHFCWWMPBLAY-ZBFHGGJFSA-N 0 3 306.362 1.959 20 5 DDBDHN CN(C)[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000571775439 308202252 /nfs/dbraw/zinc/20/22/52/308202252.db2.gz WEKUMDPWTOMESD-KBPBESRZSA-N 0 3 321.377 1.006 20 5 DDBDHN COc1ccc(NC(=O)CN[C@@]2(C)CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000494242317 534081430 /nfs/dbraw/zinc/08/14/30/534081430.db2.gz RMXAXPQPAWAFPW-BMIGLBTASA-N 0 3 323.349 1.699 20 5 DDBDHN C[C@@H]1OCC[C@@]1(C)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000494204581 534187659 /nfs/dbraw/zinc/18/76/59/534187659.db2.gz KMCMUZUERLLSOV-SGIREYDYSA-N 0 3 319.361 1.857 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](O)C12CCCC2 ZINC000292839964 534320314 /nfs/dbraw/zinc/32/03/14/534320314.db2.gz UUHSWKFYHIZJMX-ZDUSSCGKSA-N 0 3 307.350 1.136 20 5 DDBDHN NC(=O)[C@H]1CCCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444680614 534448720 /nfs/dbraw/zinc/44/87/20/534448720.db2.gz QIJOHFJRHDQHAL-WDEREUQCSA-N 0 3 317.349 1.605 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCN2CCC(n3cncn3)CC2)cc1 ZINC000156623807 527370839 /nfs/dbraw/zinc/37/08/39/527370839.db2.gz SMWNCCGEIGPAOE-UHFFFAOYSA-N 0 3 317.349 1.902 20 5 DDBDHN CC[C@H](CNS(C)(=O)=O)NCc1ccc([N+](=O)[O-])cc1C ZINC000295011361 529366900 /nfs/dbraw/zinc/36/69/00/529366900.db2.gz JLWUZQXYMLDXGF-GFCCVEGCSA-N 0 3 315.395 1.321 20 5 DDBDHN CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736328957 598420727 /nfs/dbraw/zinc/42/07/27/598420727.db2.gz ZMTWTQCFYGRWRP-SNVBAGLBSA-N 0 3 319.369 1.917 20 5 DDBDHN CC[C@@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736328957 598420728 /nfs/dbraw/zinc/42/07/28/598420728.db2.gz ZMTWTQCFYGRWRP-SNVBAGLBSA-N 0 3 319.369 1.917 20 5 DDBDHN CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736328957 598420730 /nfs/dbraw/zinc/42/07/30/598420730.db2.gz ZMTWTQCFYGRWRP-SNVBAGLBSA-N 0 3 319.369 1.917 20 5 DDBDHN CC[C@@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736328957 598420732 /nfs/dbraw/zinc/42/07/32/598420732.db2.gz ZMTWTQCFYGRWRP-SNVBAGLBSA-N 0 3 319.369 1.917 20 5 DDBDHN CC[N@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC000736536058 598500582 /nfs/dbraw/zinc/50/05/82/598500582.db2.gz AHHZECBYFWKFLI-UHFFFAOYSA-N 0 3 320.357 1.312 20 5 DDBDHN CC[N@@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC000736536058 598500584 /nfs/dbraw/zinc/50/05/84/598500584.db2.gz AHHZECBYFWKFLI-UHFFFAOYSA-N 0 3 320.357 1.312 20 5 DDBDHN CC[N@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)C ZINC000736536058 598500585 /nfs/dbraw/zinc/50/05/85/598500585.db2.gz AHHZECBYFWKFLI-UHFFFAOYSA-N 0 3 320.357 1.312 20 5 DDBDHN CC[N@@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)C ZINC000736536058 598500588 /nfs/dbraw/zinc/50/05/88/598500588.db2.gz AHHZECBYFWKFLI-UHFFFAOYSA-N 0 3 320.357 1.312 20 5 DDBDHN CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736847531 598797234 /nfs/dbraw/zinc/79/72/34/598797234.db2.gz GQTAKSLIKUUFFT-SNVBAGLBSA-N 0 3 317.353 1.163 20 5 DDBDHN CN(C[C@@H]1CC[N@@H+](C)C1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736847531 598797235 /nfs/dbraw/zinc/79/72/35/598797235.db2.gz GQTAKSLIKUUFFT-SNVBAGLBSA-N 0 3 317.353 1.163 20 5 DDBDHN CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736847531 598797237 /nfs/dbraw/zinc/79/72/37/598797237.db2.gz GQTAKSLIKUUFFT-SNVBAGLBSA-N 0 3 317.353 1.163 20 5 DDBDHN CN(C[C@@H]1CC[N@@H+](C)C1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736847531 598797239 /nfs/dbraw/zinc/79/72/39/598797239.db2.gz GQTAKSLIKUUFFT-SNVBAGLBSA-N 0 3 317.353 1.163 20 5 DDBDHN CC[N@@H+]1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821241148 606731718 /nfs/dbraw/zinc/73/17/18/606731718.db2.gz KGNQDKJJBORQJO-BXKDBHETSA-N 0 3 317.353 1.527 20 5 DDBDHN CC[N@H+]1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821241148 606731719 /nfs/dbraw/zinc/73/17/19/606731719.db2.gz KGNQDKJJBORQJO-BXKDBHETSA-N 0 3 317.353 1.527 20 5 DDBDHN CCCN(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000063762172 696330626 /nfs/dbraw/zinc/33/06/26/696330626.db2.gz CPQQTHRXSHLORR-UHFFFAOYSA-N 0 3 320.393 1.585 20 5 DDBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000194731288 697719469 /nfs/dbraw/zinc/71/94/69/697719469.db2.gz VDNBNMMSYIWDFL-NSHDSACASA-N 0 3 322.321 1.635 20 5 DDBDHN C[C@H]1CCCN1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000783923321 698892586 /nfs/dbraw/zinc/89/25/86/698892586.db2.gz YCYQHUUJOBDBAJ-JTQLQIEISA-N 0 3 321.333 1.538 20 5 DDBDHN C[C@H](N[C@@H](C)[C@@H]1CN(C)CCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788670290 699333052 /nfs/dbraw/zinc/33/30/52/699333052.db2.gz IPOLCOBCHILGPV-PGUXBMHVSA-N 0 3 308.382 1.547 20 5 DDBDHN CN(CCCN(C)Cn1cc([N+](=O)[O-])cn1)Cc1ccco1 ZINC000795751115 699889400 /nfs/dbraw/zinc/88/94/00/699889400.db2.gz ICJUJTFJHWRDSI-UHFFFAOYSA-N 0 3 307.354 1.796 20 5 DDBDHN CC(C)(NCCOc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000796581674 699941022 /nfs/dbraw/zinc/94/10/22/699941022.db2.gz GRYYSDYFMNSTPE-UHFFFAOYSA-N 0 3 321.377 1.964 20 5 DDBDHN Cc1c(NC(=O)[C@H](C)N[C@H](CO)C2CC2)cccc1[N+](=O)[O-] ZINC000771814607 701332603 /nfs/dbraw/zinc/33/26/03/701332603.db2.gz ATGBZBUVSMMCTF-GXFFZTMASA-N 0 3 307.350 1.591 20 5 DDBDHN COC(=O)[C@]1(C)CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839665958 701772932 /nfs/dbraw/zinc/77/29/32/701772932.db2.gz JJUMYRBMWKJWQP-GDBMZVCRSA-N 0 3 322.361 1.903 20 5 DDBDHN CC(COC(=O)CCC(=O)N1CCOc2ccccc21)[N+](=O)[O-] ZINC000813102092 702291017 /nfs/dbraw/zinc/29/10/17/702291017.db2.gz NTGAMZJNULOQFX-LLVKDONJSA-N 0 3 322.317 1.401 20 5 DDBDHN CC(COC(=O)Cc1ccn(-c2ccc(F)cc2)n1)[N+](=O)[O-] ZINC000813102784 702291192 /nfs/dbraw/zinc/29/11/92/702291192.db2.gz VNDSBMUVXAUCHG-JTQLQIEISA-N 0 3 307.281 1.762 20 5 DDBDHN CCn1cc(-c2nn(C)cc2C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813104475 702292106 /nfs/dbraw/zinc/29/21/06/702292106.db2.gz MZDZNYBUXCLTID-SECBINFHSA-N 0 3 307.310 1.126 20 5 DDBDHN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813106417 702292940 /nfs/dbraw/zinc/29/29/40/702292940.db2.gz BXXBBJHRLRGSAW-NHYWBVRUSA-N 0 3 320.345 1.731 20 5 DDBDHN CC(COC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[N+](=O)[O-] ZINC000813109916 702296491 /nfs/dbraw/zinc/29/64/91/702296491.db2.gz XLLPUXACMRASMJ-ZETCQYMHSA-N 0 3 312.234 1.188 20 5 DDBDHN CC(COC(=O)C1CCC(NC(=O)C(C)(C)C)CC1)[N+](=O)[O-] ZINC000813112716 702298482 /nfs/dbraw/zinc/29/84/82/702298482.db2.gz UBYAHUYCGSKKDK-UNXYVOJBSA-N 0 3 314.382 1.916 20 5 DDBDHN CC(COC(=O)CCc1nc(-c2ccccn2)no1)[N+](=O)[O-] ZINC000813115045 702298992 /nfs/dbraw/zinc/29/89/92/702298992.db2.gz ZRVZFOOTCQXQQU-SECBINFHSA-N 0 3 306.278 1.273 20 5 DDBDHN C[C@H](CO)C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000844417151 703028588 /nfs/dbraw/zinc/02/85/88/703028588.db2.gz SGDAPMVSDOECJN-WBMJQRKESA-N 0 3 308.378 1.969 20 5 DDBDHN CC([C@H](OC(=O)c1cnn(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845882593 703211917 /nfs/dbraw/zinc/21/19/17/703211917.db2.gz OUWCWCVBRZKWMF-PELKAZGASA-N 0 3 308.269 1.518 20 5 DDBDHN CN(C)c1cccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000819191212 704084112 /nfs/dbraw/zinc/08/41/12/704084112.db2.gz PAKVFXHQEBAHEV-HNNXBMFYSA-N 0 3 316.361 1.879 20 5 DDBDHN Cc1nn(CN(C)CC2CN(C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000853552564 704266655 /nfs/dbraw/zinc/26/66/55/704266655.db2.gz AZMVYTPEQKDJCT-UHFFFAOYSA-N 0 3 303.366 1.704 20 5 DDBDHN CC(C)[C@H]([NH3+])C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765573 704622154 /nfs/dbraw/zinc/62/21/54/704622154.db2.gz RHNSQPFYIKSOHH-LLVKDONJSA-N 0 3 317.292 1.666 20 5 DDBDHN CCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000861890234 705596102 /nfs/dbraw/zinc/59/61/02/705596102.db2.gz DZSZJLVMXPWBIF-HNNXBMFYSA-N 0 3 321.377 1.571 20 5 DDBDHN CCN1CCCC[C@@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825830351 705735276 /nfs/dbraw/zinc/73/52/76/705735276.db2.gz KNQHOVDEIUKUMP-CABCVRRESA-N 0 3 321.377 1.619 20 5 DDBDHN CO[C@]1(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOC1 ZINC000876530027 705747747 /nfs/dbraw/zinc/74/77/47/705747747.db2.gz IYXVBTXWEYTUFF-INIZCTEOSA-N 0 3 321.377 1.522 20 5 DDBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000826560250 705814657 /nfs/dbraw/zinc/81/46/57/705814657.db2.gz NRCKZJQGDQHYJM-UHFFFAOYSA-N 0 3 313.329 1.384 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCN2CCC3(CC2)COCCO3)cc1 ZINC000880543067 707011236 /nfs/dbraw/zinc/01/12/36/707011236.db2.gz ZUMCVCMROKKXDX-UHFFFAOYSA-N 0 3 322.361 1.855 20 5 DDBDHN CC(COC(=O)c1ccc(NC(=O)C(C)(C)C)nc1)[N+](=O)[O-] ZINC000835453814 707255429 /nfs/dbraw/zinc/25/54/29/707255429.db2.gz GWLYNBSMLOUSTE-VIFPVBQESA-N 0 3 309.322 1.888 20 5 DDBDHN CC(C)N1CCCC[C@H]1COC(=O)c1c([N+](=O)[O-])cnn1C ZINC000837609793 707695115 /nfs/dbraw/zinc/69/51/15/707695115.db2.gz PYUCAOIOIKCZHT-NSHDSACASA-N 0 3 310.354 1.748 20 5 DDBDHN Cc1ccc(CNCC[C@@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000883300821 707970756 /nfs/dbraw/zinc/97/07/56/707970756.db2.gz JIAIYGVUPLEPGN-ZDUSSCGKSA-N 0 3 312.391 1.960 20 5 DDBDHN CN(CCO)CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000884825245 708387927 /nfs/dbraw/zinc/38/79/27/708387927.db2.gz NASBFQKWDPKIBS-UHFFFAOYSA-N 0 3 316.361 1.993 20 5 DDBDHN CN(CCO)CCNc1ncc([N+](=O)[O-])cc1Br ZINC000884824790 708388141 /nfs/dbraw/zinc/38/81/41/708388141.db2.gz NUKRKOQEDURMMM-UHFFFAOYSA-N 0 3 319.159 1.088 20 5 DDBDHN O=C(NC[C@@H]1CCN1C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000885855389 708640367 /nfs/dbraw/zinc/64/03/67/708640367.db2.gz PWCJXTYBNKSKCW-HNNXBMFYSA-N 0 3 319.361 1.578 20 5 DDBDHN CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](CNCC[N+](=O)[O-])O2 ZINC000899891007 709228632 /nfs/dbraw/zinc/22/86/32/709228632.db2.gz GARICRANURZUHM-NSHDSACASA-N 0 3 315.370 1.021 20 5 DDBDHN CC1(C)CN(CCOC(=O)[C@@H]2CC2[N+](=O)[O-])CC(C)(C)O1 ZINC000893476541 710670862 /nfs/dbraw/zinc/67/08/62/710670862.db2.gz AKQXDIYKWXVLBE-GHMZBOCLSA-N 0 3 300.355 1.084 20 5 DDBDHN CN(CCO)CCN(C)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000894591808 711198630 /nfs/dbraw/zinc/19/86/30/711198630.db2.gz WBQXMKYERQHMAD-UHFFFAOYSA-N 0 3 308.382 1.229 20 5 DDBDHN CC[C@@H](NCC[N+](=O)[O-])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000905185539 711962059 /nfs/dbraw/zinc/96/20/59/711962059.db2.gz CGXITHDNGGHOSC-CABCVRRESA-N 0 3 303.366 1.821 20 5 DDBDHN CCOc1ccc(NC(=O)CNC(C)(C)CO)c([N+](=O)[O-])c1 ZINC000916572973 713458726 /nfs/dbraw/zinc/45/87/26/713458726.db2.gz RUNNLWFJRYQDAC-UHFFFAOYSA-N 0 3 311.338 1.293 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000929090337 713543712 /nfs/dbraw/zinc/54/37/12/713543712.db2.gz BDLYBPKHKQYGKA-GWCFXTLKSA-N 0 3 320.349 1.771 20 5 DDBDHN CN1CCC[C@@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000932072781 714252534 /nfs/dbraw/zinc/25/25/34/714252534.db2.gz ZJUJYOCVVYEWFS-CYBMUJFWSA-N 0 3 309.341 1.877 20 5 DDBDHN COC(=O)COc1c(C)cc(N[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC001167281240 732896616 /nfs/dbraw/zinc/89/66/16/732896616.db2.gz POVCZFQIGFGJIO-NSHDSACASA-N 0 3 323.349 1.571 20 5 DDBDHN CN(C)c1ccc(NCCCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001161710592 748478772 /nfs/dbraw/zinc/47/87/72/748478772.db2.gz TWZGDNNWZBBWME-UHFFFAOYSA-N 0 3 321.425 1.710 20 5 DDBDHN CN1CCN(C(=N)Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC001168737347 748518732 /nfs/dbraw/zinc/51/87/32/748518732.db2.gz YXKYOCFCGYSCEN-UHFFFAOYSA-N 0 3 321.366 1.194 20 5 DDBDHN CN1CCN(C(=N)Nc2ccc3nsnc3c2[N+](=O)[O-])CC1 ZINC001168737433 748524969 /nfs/dbraw/zinc/52/49/69/748524969.db2.gz WXHSEDQPZAGXGX-UHFFFAOYSA-N 0 3 321.366 1.194 20 5 DDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(Cc3cccnc3)CC2)C1 ZINC001169009700 762178020 /nfs/dbraw/zinc/17/80/20/762178020.db2.gz XHNXMEIAZKBSRF-HOCLYGCPSA-N 0 3 304.394 1.645 20 5 DDBDHN C[C@H](Nc1ncnc2cc(F)c([N+](=O)[O-])cc21)[C@@H]1CNCCO1 ZINC001170563950 768160368 /nfs/dbraw/zinc/16/03/68/768160368.db2.gz OOAPCPYWVQKUPL-SDBXPKJASA-N 0 3 321.312 1.466 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])cc1N[C@H](C)[C@@H]1CNCCO1 ZINC001170565692 768165154 /nfs/dbraw/zinc/16/51/54/768165154.db2.gz CXHRTORLTTZMKO-RNCFNFMXSA-N 0 3 309.322 1.170 20 5 DDBDHN COC(=O)Cc1ccc(N[C@H](C)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170569579 768183187 /nfs/dbraw/zinc/18/31/87/768183187.db2.gz JVDCMZVOQCMDKM-QMTHXVAHSA-N 0 3 323.349 1.099 20 5 DDBDHN COCC(=O)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001048630353 769592034 /nfs/dbraw/zinc/59/20/34/769592034.db2.gz BUDNIUYENGOFTR-OKILXGFUSA-N 0 3 319.361 1.131 20 5 DDBDHN C[C@H](Nc1nc(Cl)nc(Cl)c1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001159497497 771613444 /nfs/dbraw/zinc/61/34/44/771613444.db2.gz OGVXAESJROISKU-NTSWFWBYSA-N 0 3 322.152 1.480 20 5 DDBDHN CN(C)C1(C(=O)NCCNc2ncccc2[N+](=O)[O-])CCC1 ZINC001093926911 775219598 /nfs/dbraw/zinc/21/95/98/775219598.db2.gz QEKKUOYZEWAGCV-UHFFFAOYSA-N 0 3 307.354 1.002 20 5 DDBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2C[C@@H](O)[C@@H](O)C2)o1 ZINC001179603321 779425731 /nfs/dbraw/zinc/42/57/31/779425731.db2.gz WAGNNMINGZVINL-UVGIYENGSA-N 0 3 318.329 1.829 20 5 DDBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1cocn1 ZINC001155732145 862413357 /nfs/dbraw/zinc/41/33/57/862413357.db2.gz WYJXUMWXJLJMDR-UHFFFAOYSA-N 0 3 310.335 1.554 20 5 DDBDHN CC(F)(F)C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001154114164 864419421 /nfs/dbraw/zinc/41/94/21/864419421.db2.gz GJAQUQBGVMBXJQ-UHFFFAOYSA-N 0 3 307.322 1.907 20 5 DDBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CCN1C1CCCC1 ZINC001332008376 865498069 /nfs/dbraw/zinc/49/80/69/865498069.db2.gz ZGBBYJDSBPJNHQ-SNVBAGLBSA-N 0 3 306.370 1.420 20 5 DDBDHN COc1cc(C[NH2+]CC[C@H]2CC(=O)N(C)C2)c([N+](=O)[O-])cc1[O-] ZINC001203706375 870720758 /nfs/dbraw/zinc/72/07/58/870720758.db2.gz IMFJPMXSJSXIFA-JTQLQIEISA-N 0 3 323.349 1.267 20 5 DDBDHN Cc1ncoc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001317578984 871130338 /nfs/dbraw/zinc/13/03/38/871130338.db2.gz SPNVCRMHMJWDBF-UHFFFAOYSA-N 0 3 318.333 1.753 20 5 DDBDHN CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C(C)(C)C1 ZINC001304042933 871181033 /nfs/dbraw/zinc/18/10/33/871181033.db2.gz PDXVASBSPYWUHN-NSHDSACASA-N 0 3 307.354 1.032 20 5 DDBDHN C[C@H](CNC(=O)CNC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC001342831679 872405528 /nfs/dbraw/zinc/40/55/28/872405528.db2.gz HQZXVIXHYLNQKL-OLZOCXBDSA-N 0 3 321.377 1.583 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@]1(O)CCO[C@H]1C ZINC000278632769 214290146 /nfs/dbraw/zinc/29/01/46/214290146.db2.gz KVMFACUMQRARQZ-NHYWBVRUSA-N 0 3 310.350 1.623 20 5 DDBDHN CC(C)(C)[C@H](CO)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000278671774 214315996 /nfs/dbraw/zinc/31/59/96/214315996.db2.gz IFXLOIBAVSLQMA-AWEZNQCLSA-N 0 3 321.377 1.481 20 5 DDBDHN Cc1cc(C(=O)NC[C@H]2CCCN2CCCO)cc([N+](=O)[O-])c1 ZINC000452346740 231354267 /nfs/dbraw/zinc/35/42/67/231354267.db2.gz HGJYUROXNWEBRQ-CQSZACIVSA-N 0 3 321.377 1.480 20 5 DDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCN1CCCO ZINC000452366035 231362628 /nfs/dbraw/zinc/36/26/28/231362628.db2.gz OGUDFUXMQMJROY-OAHLLOKOSA-N 0 3 321.377 1.100 20 5 DDBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(O)c1 ZINC000181580299 199322472 /nfs/dbraw/zinc/32/24/72/199322472.db2.gz BIXWRIRFRARFLP-QMTHXVAHSA-N 0 3 306.322 1.209 20 5 DDBDHN CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000181644499 199332038 /nfs/dbraw/zinc/33/20/38/199332038.db2.gz MKFVNZSTJWOKKL-UONOGXRCSA-N 0 3 324.377 1.835 20 5 DDBDHN CN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000331330766 530071904 /nfs/dbraw/zinc/07/19/04/530071904.db2.gz HKOSICTXLRDSCY-UHFFFAOYSA-N 0 3 320.393 1.949 20 5 DDBDHN CC1(C)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000279920722 215238408 /nfs/dbraw/zinc/23/84/08/215238408.db2.gz WFHAJKWTPJWENC-CYBMUJFWSA-N 0 3 307.350 1.626 20 5 DDBDHN CCc1n[nH]c(C(=O)NCCN2CCCC[C@H]2CC)c1[N+](=O)[O-] ZINC000172163788 198049614 /nfs/dbraw/zinc/04/96/14/198049614.db2.gz VXRMJCCSSMJFBA-LLVKDONJSA-N 0 3 323.397 1.875 20 5 DDBDHN C[C@@H]1CCCCN1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000047143872 352482769 /nfs/dbraw/zinc/48/27/69/352482769.db2.gz ZWMQUKYXECALPP-CYBMUJFWSA-N 0 3 321.377 1.964 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000060792462 352879920 /nfs/dbraw/zinc/87/99/20/352879920.db2.gz WMUQOSNHKKFNMV-ZDUSSCGKSA-N 0 3 307.350 1.574 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC[C@@H]1CN(C)C ZINC000068468549 353114087 /nfs/dbraw/zinc/11/40/87/353114087.db2.gz ZLQSXHUMSYQMMV-GFCCVEGCSA-N 0 3 309.370 1.042 20 5 DDBDHN O=C(NCCN1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000072937398 353226705 /nfs/dbraw/zinc/22/67/05/353226705.db2.gz BZJWXMZKNDPUQG-UHFFFAOYSA-N 0 3 321.333 1.192 20 5 DDBDHN C[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000093342409 353896526 /nfs/dbraw/zinc/89/65/26/353896526.db2.gz VJXIKCWAOIZXTL-RISCZKNCSA-N 0 3 307.350 1.626 20 5 DDBDHN C[C@@H]1CCC[C@H](C)N1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357244416 291030128 /nfs/dbraw/zinc/03/01/28/291030128.db2.gz ZZUAFFIVDWGYHY-PHIMTYICSA-N 0 3 321.381 1.764 20 5 DDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H](CO)CN1CCCC1 ZINC000588870008 354945402 /nfs/dbraw/zinc/94/54/02/354945402.db2.gz SDJDNTOTMORMLB-CQSZACIVSA-N 0 3 321.377 1.100 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)CCN(C)C2CC2)c1 ZINC000589516369 354998701 /nfs/dbraw/zinc/99/87/01/354998701.db2.gz QMHKXWVKLQSLEI-UHFFFAOYSA-N 0 3 321.377 1.907 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000590011325 355040318 /nfs/dbraw/zinc/04/03/18/355040318.db2.gz HYVXHWXAYNKYOL-WFASDCNBSA-N 0 3 318.377 1.478 20 5 DDBDHN COC(=O)c1ccnc(NCCN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000590573514 355117723 /nfs/dbraw/zinc/11/77/23/355117723.db2.gz ZOGOEAPMODYPDR-NSHDSACASA-N 0 3 322.365 1.920 20 5 DDBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590590143 355122412 /nfs/dbraw/zinc/12/24/12/355122412.db2.gz TWGDHKQQFIQTSS-MFKMUULPSA-N 0 3 313.379 1.308 20 5 DDBDHN COC(=O)CCNC(=O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000591024238 355235368 /nfs/dbraw/zinc/23/53/68/355235368.db2.gz AEHCGKRWQXTPPZ-NSHDSACASA-N 0 3 323.349 1.315 20 5 DDBDHN CN1CCC(N2CC[C@H](Nc3ncc([N+](=O)[O-])cc3F)C2)CC1 ZINC000591147598 355255143 /nfs/dbraw/zinc/25/51/43/355255143.db2.gz STIJRALQIWJLHN-NSHDSACASA-N 0 3 323.372 1.709 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C)C[C@@H]1CN ZINC000591299009 355283225 /nfs/dbraw/zinc/28/32/25/355283225.db2.gz XDUBGTMBCVBFAB-LBPRGKRZSA-N 0 3 307.354 1.010 20 5 DDBDHN CO[C@H](CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000591722888 355370961 /nfs/dbraw/zinc/37/09/61/355370961.db2.gz AOJFGLCJMMEANI-LSDHHAIUSA-N 0 3 320.349 1.130 20 5 DDBDHN CCn1cc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000591766540 355381001 /nfs/dbraw/zinc/38/10/01/355381001.db2.gz FTBRXXOFBURZOO-ZDUSSCGKSA-N 0 3 320.349 1.341 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2CCOC[C@@H]2C)c1 ZINC000593027063 355773460 /nfs/dbraw/zinc/77/34/60/355773460.db2.gz JTVRXGGLSDGBCD-GXFFZTMASA-N 0 3 308.334 1.896 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594027790 356093830 /nfs/dbraw/zinc/09/38/30/356093830.db2.gz ZVFYKPXMTXZKLD-DZGCQCFKSA-N 0 3 324.381 1.186 20 5 DDBDHN Cc1c(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000594057375 356102561 /nfs/dbraw/zinc/10/25/61/356102561.db2.gz ZQZJXEAQYOXZMR-NWDGAFQWSA-N 0 3 320.349 1.186 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594418563 356203971 /nfs/dbraw/zinc/20/39/71/356203971.db2.gz KDZXQNSEIRHDJO-NWDGAFQWSA-N 0 3 321.381 1.627 20 5 DDBDHN O=[N+]([O-])c1cccc(N2CCN(C[C@]3(O)CCCOC3)CC2)c1 ZINC000594716583 356294439 /nfs/dbraw/zinc/29/44/39/356294439.db2.gz BGSZSBKBOUOKCS-MRXNPFEDSA-N 0 3 321.377 1.258 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCn1cncn1 ZINC000595022015 356373575 /nfs/dbraw/zinc/37/35/75/356373575.db2.gz GHQWLWWECYKCCI-NSHDSACASA-N 0 3 305.338 1.936 20 5 DDBDHN Cc1cc(S(=O)(=O)NCCNC2CC2)c(C)cc1[N+](=O)[O-] ZINC000595101843 356382806 /nfs/dbraw/zinc/38/28/06/356382806.db2.gz HBBQEFKGOFBWCV-UHFFFAOYSA-N 0 3 313.379 1.242 20 5 DDBDHN Cc1ccc(NC(=O)c2cn[n-]c2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595923684 356706046 /nfs/dbraw/zinc/70/60/46/356706046.db2.gz AWZRCFXZVCOOTK-SNVBAGLBSA-N 0 3 315.333 1.956 20 5 DDBDHN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@H](C)N1 ZINC000598531598 357622934 /nfs/dbraw/zinc/62/29/34/357622934.db2.gz MBMVSWYKEYLBBY-WDEREUQCSA-N 0 3 307.350 1.816 20 5 DDBDHN COC(=O)c1ccnc(N[C@@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000598595180 357646363 /nfs/dbraw/zinc/64/63/63/357646363.db2.gz GUVMBIIUJKWFGM-LLVKDONJSA-N 0 3 320.349 1.673 20 5 DDBDHN CCOc1ccc([C@H](C)N[C@@H]2CCOC[C@H]2O)cc1[N+](=O)[O-] ZINC000599083917 357810632 /nfs/dbraw/zinc/81/06/32/357810632.db2.gz YKDZXQLJJNIMNX-ZKYQVNSYSA-N 0 3 310.350 1.794 20 5 DDBDHN CC1(C)C[C@@H](NCCN2CC[C@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000599094848 357814302 /nfs/dbraw/zinc/81/43/02/357814302.db2.gz ZJDMZVLBZNWJNP-XJKSGUPXSA-N 0 3 319.405 1.973 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000600472136 358233590 /nfs/dbraw/zinc/23/35/90/358233590.db2.gz MXUHJTDEHMEEEZ-ZDUSSCGKSA-N 0 3 321.381 1.233 20 5 DDBDHN CCN1C[C@@H](C)N(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H]1C ZINC000348109424 283372872 /nfs/dbraw/zinc/37/28/72/283372872.db2.gz VLXMWIGSXGNZTM-WDEREUQCSA-N 0 3 304.354 1.556 20 5 DDBDHN CN1CC[C@@H]2CN(c3c([N+](=O)[O-])c(C(F)(F)F)nn3C)C[C@@H]21 ZINC000601172048 358432423 /nfs/dbraw/zinc/43/24/23/358432423.db2.gz VCJUUUOJLWONSJ-SFYZADRCSA-N 0 3 319.287 1.487 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(O[C@H]2CCOC2)CC1 ZINC000602779861 359184915 /nfs/dbraw/zinc/18/49/15/359184915.db2.gz SXTDUOUOMTYRDE-AWEZNQCLSA-N 0 3 324.381 1.370 20 5 DDBDHN O=[N+]([O-])c1ccccc1CN1CCC(CCO)(CCO)CC1 ZINC000602731984 359154527 /nfs/dbraw/zinc/15/45/27/359154527.db2.gz MKQBSZUBYITZDI-UHFFFAOYSA-N 0 3 308.378 1.942 20 5 DDBDHN C[C@@H]1CC(C)(C)C[C@](CO)(NCc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602793213 359195208 /nfs/dbraw/zinc/19/52/08/359195208.db2.gz HXJNLILJEOHGSZ-IAQYHMDHSA-N 0 3 310.398 1.995 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](Oc2ccncc2)C1 ZINC000602822491 359217117 /nfs/dbraw/zinc/21/71/17/359217117.db2.gz QWLKPUJFICRQHA-CQSZACIVSA-N 0 3 317.349 1.648 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000602951373 359317607 /nfs/dbraw/zinc/31/76/07/359317607.db2.gz JAIATILNGJUXIF-WCQYABFASA-N 0 3 319.365 1.278 20 5 DDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602938988 359308031 /nfs/dbraw/zinc/30/80/31/359308031.db2.gz ZSBZFHCTLPYWRT-VFVAKGGASA-N 0 3 317.345 1.640 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000602959527 359322402 /nfs/dbraw/zinc/32/24/02/359322402.db2.gz VYDQUDVRAHDBDX-NEPJUHHUSA-N 0 3 319.365 1.421 20 5 DDBDHN CO[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])[C@](C)(CO)C1 ZINC000602963635 359326157 /nfs/dbraw/zinc/32/61/57/359326157.db2.gz HPSSJNDNLGQSAH-DOMZBBRYSA-N 0 3 310.350 1.445 20 5 DDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)CC1(O)CCCCCC1 ZINC000187342037 200098270 /nfs/dbraw/zinc/09/82/70/200098270.db2.gz VUGZITRFHHXZFO-UHFFFAOYSA-N 0 3 323.393 1.774 20 5 DDBDHN CN(C)CC1(NC(=O)CCNc2ccccc2[N+](=O)[O-])CCC1 ZINC000281068172 216058215 /nfs/dbraw/zinc/05/82/15/216058215.db2.gz MLBZOBJNRBLMHL-UHFFFAOYSA-N 0 3 320.393 1.997 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCN(C(C)C)C2)n1 ZINC000281072520 216060668 /nfs/dbraw/zinc/06/06/68/216060668.db2.gz AQDHWBWORIBIPL-SNVBAGLBSA-N 0 3 308.338 1.671 20 5 DDBDHN CCCN(CCN(C)C)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000609045754 360258101 /nfs/dbraw/zinc/25/81/01/360258101.db2.gz CYGFXDBGEDOVQA-UHFFFAOYSA-N 0 3 323.393 1.946 20 5 DDBDHN Cc1cc(N2CCN(CC3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000610431267 360434576 /nfs/dbraw/zinc/43/45/76/360434576.db2.gz UQTODIOTDHRKBY-UHFFFAOYSA-N 0 3 320.393 1.847 20 5 DDBDHN CN(C)CCO[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000611132739 360631291 /nfs/dbraw/zinc/63/12/91/360631291.db2.gz FICOIPLVEYYOIC-LLVKDONJSA-N 0 3 314.773 1.800 20 5 DDBDHN Cc1ccc([C@H](C)NC(=O)[C@@H](N)C2CCOCC2)cc1[N+](=O)[O-] ZINC000261884881 203144386 /nfs/dbraw/zinc/14/43/86/203144386.db2.gz UZGSTQGRRLGZJX-NHYWBVRUSA-N 0 3 321.377 1.834 20 5 DDBDHN Cc1ccc([C@H](C)[NH2+]CCCOC([O-])=NC(N)=O)cc1[N+](=O)[O-] ZINC000271686403 209125730 /nfs/dbraw/zinc/12/57/30/209125730.db2.gz DBNCAFZVHGANIX-JTQLQIEISA-N 0 3 324.337 1.749 20 5 DDBDHN Cc1ccc([C@H](C)[NH2+]CCCOC(=O)N=C(N)[O-])cc1[N+](=O)[O-] ZINC000271686403 209125733 /nfs/dbraw/zinc/12/57/33/209125733.db2.gz DBNCAFZVHGANIX-JTQLQIEISA-N 0 3 324.337 1.749 20 5 DDBDHN C[C@@H]1CN(CCCCNc2ncc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000273934810 211187958 /nfs/dbraw/zinc/18/79/58/211187958.db2.gz KZEMGUSHBRJFLQ-TXEJJXNPSA-N 0 3 309.370 1.686 20 5 DDBDHN CC1(C)NC(=O)CC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000338595039 250047992 /nfs/dbraw/zinc/04/79/92/250047992.db2.gz COOFVXBHXBWIKD-GFCCVEGCSA-N 0 3 320.349 1.180 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000341025446 251345121 /nfs/dbraw/zinc/34/51/21/251345121.db2.gz JCNSXHOKDYJJTC-TZMCWYRMSA-N 0 3 320.393 1.919 20 5 DDBDHN CC(C)(C[NH3+])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000063020546 184267315 /nfs/dbraw/zinc/26/73/15/184267315.db2.gz RRBSSOKVMMKRHI-UHFFFAOYSA-N 0 3 307.759 1.264 20 5 DDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H]1CNCCO1 ZINC000269249757 207384468 /nfs/dbraw/zinc/38/44/68/207384468.db2.gz LURYASKACDZUDH-OAHLLOKOSA-N 0 3 321.377 1.710 20 5 DDBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000286486063 219014149 /nfs/dbraw/zinc/01/41/49/219014149.db2.gz XAPCLNQTMAYVIB-JQWIXIFHSA-N 0 3 319.365 1.152 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCN1CCCOCC1 ZINC000289480473 221007589 /nfs/dbraw/zinc/00/75/89/221007589.db2.gz QLSZHMRCGISUSN-UHFFFAOYSA-N 0 3 323.393 1.805 20 5 DDBDHN C[C@H]1CSC[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000352813296 285317866 /nfs/dbraw/zinc/31/78/66/285317866.db2.gz AVQIKMUWDLTGJZ-GXFFZTMASA-N 0 3 309.391 1.899 20 5 DDBDHN COCCNC(=O)C1(N[C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000414182717 224309061 /nfs/dbraw/zinc/30/90/61/224309061.db2.gz MHFNBVGCLFDISK-GFCCVEGCSA-N 0 3 321.377 1.411 20 5 DDBDHN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)CO ZINC000295877191 533350633 /nfs/dbraw/zinc/35/06/33/533350633.db2.gz ZLTYKRRZFOLWKI-RKDXNWHRSA-N 0 3 315.757 1.793 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCN(C(C)C)CC1 ZINC000068775377 406663291 /nfs/dbraw/zinc/66/32/91/406663291.db2.gz KAWJSZWKMDZUOZ-UHFFFAOYSA-N 0 3 323.397 1.433 20 5 DDBDHN CC(C)[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070447752 406816525 /nfs/dbraw/zinc/81/65/25/406816525.db2.gz LUOYCCMQGJAKDI-SNVBAGLBSA-N 0 3 321.786 1.510 20 5 DDBDHN CC[C@@H](NC[C@@H](O)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000089515127 407138130 /nfs/dbraw/zinc/13/81/30/407138130.db2.gz DUEYZMVZBTYISY-HUUCEWRRSA-N 0 3 321.377 1.619 20 5 DDBDHN C[C@H]1CCCCN1CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102332212 407321703 /nfs/dbraw/zinc/32/17/03/407321703.db2.gz VQGWXXKMWYQUGJ-LBPRGKRZSA-N 0 3 323.397 1.517 20 5 DDBDHN C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCN1C ZINC000123246325 407323903 /nfs/dbraw/zinc/32/39/03/407323903.db2.gz WHTUENXVUYFUOZ-VXGBXAGGSA-N 0 3 323.397 1.468 20 5 DDBDHN CCN1CCCC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000067709386 407281787 /nfs/dbraw/zinc/28/17/87/407281787.db2.gz MQWUQHRQYJEQOQ-HNNXBMFYSA-N 0 3 320.393 1.997 20 5 DDBDHN Cc1nn(C)c(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000126236859 407409134 /nfs/dbraw/zinc/40/91/34/407409134.db2.gz UMQOGJQANOALJJ-WDEREUQCSA-N 0 3 323.397 1.487 20 5 DDBDHN C[C@H](NCCn1cccn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000112548110 407431849 /nfs/dbraw/zinc/43/18/49/407431849.db2.gz HUSXMUNKXZZOBY-NSHDSACASA-N 0 3 303.322 1.408 20 5 DDBDHN C[C@H](NCCn1cccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000112548024 407431876 /nfs/dbraw/zinc/43/18/76/407431876.db2.gz YTKNWNHUZPNWMJ-NSHDSACASA-N 0 3 303.322 1.408 20 5 DDBDHN CC(C)(C)CN(CCCO)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000112599424 407433482 /nfs/dbraw/zinc/43/34/82/407433482.db2.gz TVRNALKHOCTFHZ-UHFFFAOYSA-N 0 3 323.393 1.924 20 5 DDBDHN COCCN(C)CCNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000185765671 407497494 /nfs/dbraw/zinc/49/74/94/407497494.db2.gz WVRYESJCWQQFMA-OUKQBFOZSA-N 0 3 321.377 1.693 20 5 DDBDHN COC[C@H]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000266543047 407551998 /nfs/dbraw/zinc/55/19/98/407551998.db2.gz QWAWGEZLDOUFMY-LBPRGKRZSA-N 0 3 310.350 1.951 20 5 DDBDHN CC(C)(C)[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000261596108 407543997 /nfs/dbraw/zinc/54/39/97/407543997.db2.gz AQYXHKIZXAMRRA-LLVKDONJSA-N 0 3 301.368 1.247 20 5 DDBDHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000186736545 407762245 /nfs/dbraw/zinc/76/22/45/407762245.db2.gz SBUYMKNSCYIPBS-CZUORRHYSA-N 0 3 321.377 1.744 20 5 DDBDHN C[C@H](CN1CCN(C)CC1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173399873 407878190 /nfs/dbraw/zinc/87/81/90/407878190.db2.gz VAEBQHUEWHQDFD-KGLIPLIRSA-N 0 3 306.410 1.881 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268245213 407967619 /nfs/dbraw/zinc/96/76/19/407967619.db2.gz VYBAKZSZCWKZTC-JOYOIKCWSA-N 0 3 321.381 1.483 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272562888 407984569 /nfs/dbraw/zinc/98/45/69/407984569.db2.gz UNRDILDCLUKAFC-OCCSQVGLSA-N 0 3 319.361 1.526 20 5 DDBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)CC(C)(CO)CO ZINC000135885516 408060397 /nfs/dbraw/zinc/06/03/97/408060397.db2.gz JFNNSJJXTDHAEI-UHFFFAOYSA-N 0 3 312.366 1.286 20 5 DDBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000245872941 408087696 /nfs/dbraw/zinc/08/76/96/408087696.db2.gz HEQZTKKFBGNFQS-MNOVXSKESA-N 0 3 309.370 1.179 20 5 DDBDHN CC(C)c1ccc(C(=O)NC[C@@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000190279854 408211404 /nfs/dbraw/zinc/21/14/04/408211404.db2.gz FAVBCINCALNVLF-MRXNPFEDSA-N 0 3 323.393 1.761 20 5 DDBDHN CCN1CCC(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000263712919 408221169 /nfs/dbraw/zinc/22/11/69/408221169.db2.gz AORRZMPFMBLOOZ-UHFFFAOYSA-N 0 3 323.397 1.399 20 5 DDBDHN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCO1 ZINC000183113609 408329875 /nfs/dbraw/zinc/32/98/75/408329875.db2.gz MHZLWDOYAXSHNR-XHDPSFHLSA-N 0 3 319.361 1.641 20 5 DDBDHN O=C(CN1CCCN(C2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000172346410 162270629 /nfs/dbraw/zinc/27/06/29/162270629.db2.gz UMHQVIVHYNBRFR-UHFFFAOYSA-N 0 3 318.377 1.703 20 5 DDBDHN NC(=O)C1(NC[C@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000269672304 408385856 /nfs/dbraw/zinc/38/58/56/408385856.db2.gz VFBPIEFRLZNLDG-ZDUSSCGKSA-N 0 3 307.350 1.406 20 5 DDBDHN CN(C)Cc1ccc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000159150735 408385994 /nfs/dbraw/zinc/38/59/94/408385994.db2.gz GNBFSYZWIMULHB-UHFFFAOYSA-N 0 3 303.322 1.310 20 5 DDBDHN CCN(CCO)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000183950526 408513974 /nfs/dbraw/zinc/51/39/74/408513974.db2.gz FGLQJWQEVYBOTN-UHFFFAOYSA-N 0 3 315.757 1.292 20 5 DDBDHN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCNCC1 ZINC000160853030 408529952 /nfs/dbraw/zinc/52/99/52/408529952.db2.gz PDERZNSOEFMQKJ-UHFFFAOYSA-N 0 3 315.333 1.216 20 5 DDBDHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191647012 408463637 /nfs/dbraw/zinc/46/36/37/408463637.db2.gz XXCHNHFZLGYWLR-VXGBXAGGSA-N 0 3 321.381 1.510 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000177154586 408536678 /nfs/dbraw/zinc/53/66/78/408536678.db2.gz XZBJJXOBUOCYFP-MWLCHTKSSA-N 0 3 304.350 1.532 20 5 DDBDHN CN(C)CCOc1cc(CNc2ncccc2[N+](=O)[O-])ccn1 ZINC000270633845 408611824 /nfs/dbraw/zinc/61/18/24/408611824.db2.gz GMZJZVZBQXKIFQ-UHFFFAOYSA-N 0 3 317.349 1.937 20 5 DDBDHN CN(C)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000193135644 408699519 /nfs/dbraw/zinc/69/95/19/408699519.db2.gz YOCCVIRXDZJEOF-AWEZNQCLSA-N 0 3 317.349 1.210 20 5 DDBDHN CCOC(=O)c1ccnc(NC[C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000265584794 408702147 /nfs/dbraw/zinc/70/21/47/408702147.db2.gz OBOSIZLEVXXLSL-JTQLQIEISA-N 0 3 308.338 1.530 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCCN2CCO[C@]3(CCOC3)C2)cc1 ZINC000185156958 408771834 /nfs/dbraw/zinc/77/18/34/408771834.db2.gz HETOECIYCUCGND-MRXNPFEDSA-N 0 3 322.361 1.855 20 5 DDBDHN CC(C)N(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000291992232 408957554 /nfs/dbraw/zinc/95/75/54/408957554.db2.gz WXKLQIDYYJDNME-UONOGXRCSA-N 0 3 324.377 1.834 20 5 DDBDHN CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000282178782 409005789 /nfs/dbraw/zinc/00/57/89/409005789.db2.gz VPHUGUMMVZRXPQ-ZDUSSCGKSA-N 0 3 320.349 1.134 20 5 DDBDHN CC(C)N(CCOCCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000283773303 409213877 /nfs/dbraw/zinc/21/38/77/409213877.db2.gz PQEHCUIKHRTBKU-OAHLLOKOSA-N 0 3 312.366 1.348 20 5 DDBDHN CC(C)c1n[n-]c(C(=O)NCC[N@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000280290279 409286026 /nfs/dbraw/zinc/28/60/26/409286026.db2.gz RDYLKHPDMVJPMK-UHFFFAOYSA-N 0 3 307.354 1.433 20 5 DDBDHN CC(C)c1n[n-]c(C(=O)NCC[N@@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000280290279 409286029 /nfs/dbraw/zinc/28/60/29/409286029.db2.gz RDYLKHPDMVJPMK-UHFFFAOYSA-N 0 3 307.354 1.433 20 5 DDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)N(C)C ZINC000294272286 409270070 /nfs/dbraw/zinc/27/00/70/409270070.db2.gz HDFCRPQTFIZUIP-VIFPVBQESA-N 0 3 312.345 1.480 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2c2ccccc2)c1 ZINC000304339052 409610012 /nfs/dbraw/zinc/61/00/12/409610012.db2.gz PGALAKOWPHARFT-HOTGVXAUSA-N 0 3 316.361 1.989 20 5 DDBDHN CCN1CCC[C@H]1CN(C)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342788904 409907849 /nfs/dbraw/zinc/90/78/49/409907849.db2.gz NYJOYXYCWNNUIR-NSHDSACASA-N 0 3 306.366 1.614 20 5 DDBDHN CN1CC[C@]2(CCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)C1 ZINC000297855308 410028480 /nfs/dbraw/zinc/02/84/80/410028480.db2.gz TXIKWKJAJGQPOZ-AWEZNQCLSA-N 0 3 305.338 1.549 20 5 DDBDHN C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)N1C ZINC000339632120 410343877 /nfs/dbraw/zinc/34/38/77/410343877.db2.gz WSMZFLLBZJAREM-CHWSQXEVSA-N 0 3 320.393 1.948 20 5 DDBDHN C[C@H]1[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343451721 410463355 /nfs/dbraw/zinc/46/33/55/410463355.db2.gz OLEBVOQRUXOEFW-QWHCGFSZSA-N 0 3 321.377 1.963 20 5 DDBDHN CCCN1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000343550615 410525687 /nfs/dbraw/zinc/52/56/87/410525687.db2.gz CCXJOILHUVPQTH-NSHDSACASA-N 0 3 306.366 1.781 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343609416 410568105 /nfs/dbraw/zinc/56/81/05/410568105.db2.gz SJUUGEFOEVFGRD-DGCLKSJQSA-N 0 3 306.366 1.877 20 5 DDBDHN CCCN1CCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000343572767 410541444 /nfs/dbraw/zinc/54/14/44/410541444.db2.gz PIVGJHPBUVPUPD-AWEZNQCLSA-N 0 3 321.377 1.964 20 5 DDBDHN C[C@H]1COCCN1CCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000352570319 410666623 /nfs/dbraw/zinc/66/66/23/410666623.db2.gz FXWNAMSRGQLEBP-AWEZNQCLSA-N 0 3 307.394 1.790 20 5 DDBDHN Cc1cc(C(=O)Nc2ccnn2CCN(C)C)ccc1[N+](=O)[O-] ZINC000359497020 410692995 /nfs/dbraw/zinc/69/29/95/410692995.db2.gz WDYBOJWKTNPUGK-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN COC1CCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000341256204 410968005 /nfs/dbraw/zinc/96/80/05/410968005.db2.gz HMUAWMXHVUXHHW-UHFFFAOYSA-N 0 3 324.381 1.542 20 5 DDBDHN NC(=O)NC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130689636 196101455 /nfs/dbraw/zinc/10/14/55/196101455.db2.gz COHHUYOKVVQCAR-UHFFFAOYSA-N 0 3 306.322 1.144 20 5 DDBDHN Cc1cc(OCC(=O)NC[C@H](C)N2CCCC2)ccc1[N+](=O)[O-] ZINC000580691174 422947690 /nfs/dbraw/zinc/94/76/90/422947690.db2.gz CDTDQMINAHGQST-ZDUSSCGKSA-N 0 3 321.377 1.883 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)n1 ZINC000191678709 222107050 /nfs/dbraw/zinc/10/70/50/222107050.db2.gz WECAAVLCWGPBQZ-NEPJUHHUSA-N 0 3 321.381 1.368 20 5 DDBDHN C[C@@H]1[NH2+]CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000193451629 222155926 /nfs/dbraw/zinc/15/59/26/222155926.db2.gz DQWSKYONVCYBDG-JGVFFNPUSA-N 0 3 305.381 1.075 20 5 DDBDHN CC(C)N(CCN1CCCCCC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000353876207 418646615 /nfs/dbraw/zinc/64/66/15/418646615.db2.gz RBADEXXGTVDJFA-UHFFFAOYSA-N 0 3 322.413 2.058 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCCN([C@H](C)CO)CC1 ZINC000375502215 418651797 /nfs/dbraw/zinc/65/17/97/418651797.db2.gz RFOYOUUEHFERSA-CYBMUJFWSA-N 0 3 323.393 1.492 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCCN2C)c1 ZINC000421706657 419692121 /nfs/dbraw/zinc/69/21/21/419692121.db2.gz VKMUPIMSJYAIFF-LLVKDONJSA-N 0 3 307.350 1.770 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCOCCN(C)C ZINC000421795400 419734349 /nfs/dbraw/zinc/73/43/49/419734349.db2.gz IBLXXPOVSDELIR-UHFFFAOYSA-N 0 3 309.366 1.520 20 5 DDBDHN C[C@@H]1[NH2+]CCC[C@H]1[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420251669 420169448 /nfs/dbraw/zinc/16/94/48/420169448.db2.gz XPMLTGJDEJCZRI-JOYOIKCWSA-N 0 3 303.322 2.197 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC2(N(C)C)CC2)c1 ZINC000416302611 420319651 /nfs/dbraw/zinc/31/96/51/420319651.db2.gz PCDPQVUFFLECFA-UHFFFAOYSA-N 0 3 321.377 1.883 20 5 DDBDHN O=[N+]([O-])c1ccc2oc(CN3CC[C@@H](c4nc[nH]n4)C3)nc2c1 ZINC000425554810 420417081 /nfs/dbraw/zinc/41/70/81/420417081.db2.gz WSWWOTDRWZDGBC-SECBINFHSA-N 0 3 314.305 1.844 20 5 DDBDHN CN(C)CCc1ccccc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000438573267 420459757 /nfs/dbraw/zinc/45/97/57/420459757.db2.gz XNOGRIFCKOOWOU-UHFFFAOYSA-N 0 3 317.349 1.685 20 5 DDBDHN CC1(C)COC[C@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451809696 420611957 /nfs/dbraw/zinc/61/19/57/420611957.db2.gz JUIZLHZEFJLJPN-ZIAGYGMSSA-N 0 3 319.361 1.715 20 5 DDBDHN CNc1nc(C(=O)NC2CCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000454427219 420856227 /nfs/dbraw/zinc/85/62/27/420856227.db2.gz OPGBKQKLBUTCEU-UHFFFAOYSA-N 0 3 319.365 1.388 20 5 DDBDHN CCN1CC[C@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493700484 420919438 /nfs/dbraw/zinc/91/94/38/420919438.db2.gz XREIQTVPRSKORQ-BPJJOFIESA-N 0 3 307.325 1.958 20 5 DDBDHN CCN(C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448975277 420926337 /nfs/dbraw/zinc/92/63/37/420926337.db2.gz GVXLYFCDEGSCSP-UHFFFAOYSA-N 0 3 317.349 1.462 20 5 DDBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455625955 421045414 /nfs/dbraw/zinc/04/54/14/421045414.db2.gz OOSWVTIMYLNURX-LLVKDONJSA-N 0 3 321.381 1.636 20 5 DDBDHN Nc1c(F)c(NC[C@@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000450590407 421213323 /nfs/dbraw/zinc/21/33/23/421213323.db2.gz DREQMIUMMJHKAI-JTQLQIEISA-N 0 3 312.345 1.575 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCN2CCCO)c1 ZINC000450593998 421214363 /nfs/dbraw/zinc/21/43/63/421214363.db2.gz JWWUYSGXEGVKEX-LBPRGKRZSA-N 0 3 309.366 1.862 20 5 DDBDHN COC(=O)c1cc(NC(=O)/C=C\CN(C)C)cc([N+](=O)[O-])c1 ZINC000491906141 421204458 /nfs/dbraw/zinc/20/44/58/421204458.db2.gz ONTIRSXHFHSCGM-PLNGDYQASA-N 0 3 307.306 1.438 20 5 DDBDHN C[C@@H]1CCN(CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000525805301 421302634 /nfs/dbraw/zinc/30/26/34/421302634.db2.gz KFCSYMZHRNAVHR-SNVBAGLBSA-N 0 3 321.333 1.395 20 5 DDBDHN CC(COC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1)[N+](=O)[O-] ZINC000496920742 421338070 /nfs/dbraw/zinc/33/80/70/421338070.db2.gz CIZNAPBVWDJZSB-KOLCDFICSA-N 0 3 316.354 1.888 20 5 DDBDHN CO[C@@H](C)[C@@H](C)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000564092647 421569594 /nfs/dbraw/zinc/56/95/94/421569594.db2.gz DUVLAODOPVRKNJ-UHIISALHSA-N 0 3 307.350 1.713 20 5 DDBDHN COc1ccc(CC(=O)N2CCNC(C)(C)C2)cc1[N+](=O)[O-] ZINC000531353872 421631818 /nfs/dbraw/zinc/63/18/18/421631818.db2.gz JEVHQKZWQASQBN-UHFFFAOYSA-N 0 3 307.350 1.356 20 5 DDBDHN CC(C)N1CCC(NC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000537777442 421734434 /nfs/dbraw/zinc/73/44/34/421734434.db2.gz UKDPRMLOQQMFSL-UHFFFAOYSA-N 0 3 307.354 1.175 20 5 DDBDHN COC(=O)c1cnc(NC[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000572090480 421764515 /nfs/dbraw/zinc/76/45/15/421764515.db2.gz LEQJCYNAQOXHNM-JTQLQIEISA-N 0 3 320.349 1.673 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000582002827 422086674 /nfs/dbraw/zinc/08/66/74/422086674.db2.gz HNQTXEPPQRPPPT-QWRGUYRKSA-N 0 3 315.395 1.616 20 5 DDBDHN COc1ccc(CNCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000321600299 271028535 /nfs/dbraw/zinc/02/85/35/271028535.db2.gz SYXRYPMZJRGLCO-UHFFFAOYSA-N 0 3 309.366 1.150 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCCC[C@H]1CCO ZINC000342070547 271290372 /nfs/dbraw/zinc/29/03/72/271290372.db2.gz WRPSCGQBBWGEDU-ZDUSSCGKSA-N 0 3 309.366 1.384 20 5 DDBDHN O=[N+]([O-])c1cnc2ccc(NC3CCN(C4CC4)CC3)nn21 ZINC000301935309 275041910 /nfs/dbraw/zinc/04/19/10/275041910.db2.gz QWJKJOSXHBWTFY-UHFFFAOYSA-N 0 3 302.338 1.676 20 5 DDBDHN Cc1[nH]nc(C(=O)Nc2ccc3c(c2)CNCCO3)c1[N+](=O)[O-] ZINC000291089137 280190672 /nfs/dbraw/zinc/19/06/72/280190672.db2.gz PRQKNDJGEGGKFA-UHFFFAOYSA-N 0 3 317.305 1.361 20 5 DDBDHN Cc1[n-]nc(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)c1[N+](=O)[O-] ZINC000291089137 280190674 /nfs/dbraw/zinc/19/06/74/280190674.db2.gz PRQKNDJGEGGKFA-UHFFFAOYSA-N 0 3 317.305 1.361 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]3COC[C@H]32)c1 ZINC000368519557 301047217 /nfs/dbraw/zinc/04/72/17/301047217.db2.gz QUANIECLBTVHRC-DUVNUKRYSA-N 0 3 322.361 1.445 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000532873514 303300292 /nfs/dbraw/zinc/30/02/92/303300292.db2.gz PCRBDDJMHNKITI-AAEUAGOBSA-N 0 3 306.366 1.490 20 5 DDBDHN CN(C)CCc1ccccc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000559040600 303787076 /nfs/dbraw/zinc/78/70/76/303787076.db2.gz KIZLTLDWFVNBMH-UHFFFAOYSA-N 0 3 303.322 1.674 20 5 DDBDHN Cc1c(CNC(=O)NC2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000358274156 306937482 /nfs/dbraw/zinc/93/74/82/306937482.db2.gz KEVOOVIGKKIHBT-UHFFFAOYSA-N 0 3 306.366 1.797 20 5 DDBDHN Cc1cnn(C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000371842729 307158813 /nfs/dbraw/zinc/15/88/13/307158813.db2.gz LOSCDOHAPVRXDB-UHFFFAOYSA-N 0 3 304.354 1.633 20 5 DDBDHN C[C@@H]1CC[C@H](O)CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000421021459 307300783 /nfs/dbraw/zinc/30/07/83/307300783.db2.gz OBYSYWSVYKWLTO-FRRDWIJNSA-N 0 3 310.350 1.180 20 5 DDBDHN COc1ccc(OCCN[C@@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000515495041 307405454 /nfs/dbraw/zinc/40/54/54/307405454.db2.gz CSSQZVSVGCQBIE-KGLIPLIRSA-N 0 3 310.350 1.731 20 5 DDBDHN COc1ccc(OCCN[C@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000515495039 307405464 /nfs/dbraw/zinc/40/54/64/307405464.db2.gz CSSQZVSVGCQBIE-KBPBESRZSA-N 0 3 310.350 1.731 20 5 DDBDHN COCC1(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000573976489 308257932 /nfs/dbraw/zinc/25/79/32/308257932.db2.gz LEVOACPAUJDZDR-UHFFFAOYSA-N 0 3 320.393 1.929 20 5 DDBDHN C[C@H](C[C@H](C)O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576992238 308354762 /nfs/dbraw/zinc/35/47/62/308354762.db2.gz HNBQUBUWMUBQSS-MNOVXSKESA-N 0 3 316.379 1.118 20 5 DDBDHN Cc1ccncc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578859333 308489844 /nfs/dbraw/zinc/48/98/44/308489844.db2.gz NRYZCWYLVWEYHE-HNNXBMFYSA-N 0 3 317.345 1.828 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccccc2Cl)c1 ZINC000037876720 337368551 /nfs/dbraw/zinc/36/85/51/337368551.db2.gz WGLFVCSUQACOPA-GFCCVEGCSA-N 0 3 310.741 1.595 20 5 DDBDHN COc1cc(C[NH2+]C[C@@H]2CCN(C)C(=O)C2)c([N+](=O)[O-])cc1[O-] ZINC000424182869 533880009 /nfs/dbraw/zinc/88/00/09/533880009.db2.gz ALVWHQCDFXCTCU-SNVBAGLBSA-N 0 3 323.349 1.267 20 5 DDBDHN COc1ccc(NC(=O)N2C[C@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000415447888 534115725 /nfs/dbraw/zinc/11/57/25/534115725.db2.gz URDQMEWZWQIGLN-VHSXEESVSA-N 0 3 308.338 1.818 20 5 DDBDHN C[C@@H]1CN(CCCCNc2c([N+](=O)[O-])ncn2C)C[C@@H](C)O1 ZINC000443951544 534462098 /nfs/dbraw/zinc/46/20/98/534462098.db2.gz KETYGTSUHUEGKC-VXGBXAGGSA-N 0 3 311.386 1.630 20 5 DDBDHN CCOC(=O)[C@@H]1NCC[C@@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000422795717 527895514 /nfs/dbraw/zinc/89/55/14/527895514.db2.gz WJFMQIBSNFUSBB-GXTWGEPZSA-N 0 3 307.350 1.021 20 5 DDBDHN COCCCOC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174873439 536600086 /nfs/dbraw/zinc/60/00/86/536600086.db2.gz UYSKKLPVHQCTBI-UHFFFAOYSA-N 0 3 312.370 1.309 20 5 DDBDHN CC1(C)CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000778307281 698259708 /nfs/dbraw/zinc/25/97/08/698259708.db2.gz PSMCCRAKJRFQSJ-UHFFFAOYSA-N 0 3 313.304 1.897 20 5 DDBDHN C[C@@H]1OCC[C@H]1N(CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796578718 699940156 /nfs/dbraw/zinc/94/01/56/699940156.db2.gz JXQYSNFJMUYYFS-GLQYFDAESA-N 0 3 310.350 1.100 20 5 DDBDHN CCCNC(=O)Nc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813103332 702291358 /nfs/dbraw/zinc/29/13/58/702291358.db2.gz OKUMRFSWSHCSLG-LLVKDONJSA-N 0 3 323.349 1.969 20 5 DDBDHN CC(COC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1)[N+](=O)[O-] ZINC000813103755 702292118 /nfs/dbraw/zinc/29/21/18/702292118.db2.gz SKKHBNRWHPGTIX-NXEZZACHSA-N 0 3 305.294 1.110 20 5 DDBDHN CC(COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1)[N+](=O)[O-] ZINC000813104418 702292267 /nfs/dbraw/zinc/29/22/67/702292267.db2.gz CGFDPHYQMXUJHE-MWLCHTKSSA-N 0 3 316.354 1.888 20 5 DDBDHN CC(COC(=O)c1ccccc1N(C)C(=O)C1CC1)[N+](=O)[O-] ZINC000813105217 702293062 /nfs/dbraw/zinc/29/30/62/702293062.db2.gz KOKPIVDDVFHJOS-SNVBAGLBSA-N 0 3 306.318 1.881 20 5 DDBDHN CC(COC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000813113019 702298035 /nfs/dbraw/zinc/29/80/35/702298035.db2.gz WKAOECHMWHOBSH-MNOVXSKESA-N 0 3 316.354 1.842 20 5 DDBDHN CC(COC(=O)[C@@H](C)NC(=O)CC1CCCCC1)[N+](=O)[O-] ZINC000813114740 702298855 /nfs/dbraw/zinc/29/88/55/702298855.db2.gz VZSPCCAUHXZKSR-GHMZBOCLSA-N 0 3 300.355 1.670 20 5 DDBDHN CC(COC(=O)C1CCN(C(=O)c2ccccc2)CC1)[N+](=O)[O-] ZINC000813114283 702299520 /nfs/dbraw/zinc/29/95/20/702299520.db2.gz ORROANDKJONMBY-GFCCVEGCSA-N 0 3 320.345 1.747 20 5 DDBDHN CC(=O)N(C)CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845878046 703211598 /nfs/dbraw/zinc/21/15/98/703211598.db2.gz SSYWRYGSBJKDJA-XPTSAGLGSA-N 0 3 312.297 1.554 20 5 DDBDHN CC([C@@H](OC(=O)[C@H]1CCC(=O)N1C)c1ccccc1F)[N+](=O)[O-] ZINC000845881853 703211981 /nfs/dbraw/zinc/21/19/81/703211981.db2.gz MMZRXQKZRJGRND-GAJTVXKRSA-N 0 3 324.308 1.696 20 5 DDBDHN CNc1nccc(C(=O)NCCN2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000848373716 703544530 /nfs/dbraw/zinc/54/45/30/703544530.db2.gz JJYRKYYHQIJQRT-JTQLQIEISA-N 0 3 307.354 1.246 20 5 DDBDHN O=[N+]([O-])c1ccc(NC(=S)N2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC000848650488 703571907 /nfs/dbraw/zinc/57/19/07/703571907.db2.gz OLOAPAZYSXOVTM-QWHCGFSZSA-N 0 3 322.390 1.042 20 5 DDBDHN CN(CC1CN(C)C1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853555609 704267908 /nfs/dbraw/zinc/26/79/08/704267908.db2.gz ZJECSXWDMVNDQQ-UHFFFAOYSA-N 0 3 316.365 1.304 20 5 DDBDHN CCN(C(=O)c1ccnc(NC)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000861890292 705595995 /nfs/dbraw/zinc/59/59/95/705595995.db2.gz GCTVFYGRIOETDR-UHFFFAOYSA-N 0 3 321.381 1.588 20 5 DDBDHN CC(C)N1CCC[C@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000829539157 706352956 /nfs/dbraw/zinc/35/29/56/706352956.db2.gz MXOCGPIHAFEPJC-ZFWWWQNUSA-N 0 3 321.377 1.617 20 5 DDBDHN C[C@@H](NC[C@@H](O)COC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000880095339 706877357 /nfs/dbraw/zinc/87/73/57/706877357.db2.gz XWIDHAGSALNVLJ-MCIONIFRSA-N 0 3 324.377 1.802 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[C@H]1CNC(=O)C1 ZINC000926981739 712926592 /nfs/dbraw/zinc/92/65/92/712926592.db2.gz VKNSBDMXGQFSHG-GHMZBOCLSA-N 0 3 307.350 1.780 20 5 DDBDHN CN(CCNc1ccc(Cl)cc1[N+](=O)[O-])CCOCCO ZINC000882951622 707867439 /nfs/dbraw/zinc/86/74/39/707867439.db2.gz NKTSNCOBCLYMDV-UHFFFAOYSA-N 0 3 317.773 1.601 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000897218461 708256441 /nfs/dbraw/zinc/25/64/41/708256441.db2.gz CUFOEWYKWTUBCP-STQMWFEESA-N 0 3 323.397 1.155 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCCN3CCO)c1 ZINC000897218132 708256681 /nfs/dbraw/zinc/25/66/81/708256681.db2.gz BCLCBHKBTOAKAM-UONOGXRCSA-N 0 3 321.377 1.639 20 5 DDBDHN CN(CCO)CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000884823974 708387681 /nfs/dbraw/zinc/38/76/81/708387681.db2.gz MJSLWMFMSMGQLP-UHFFFAOYSA-N 0 3 307.272 1.950 20 5 DDBDHN O=C1C[C@H]([C@@H]2CCCCN2Cc2cccnc2[N+](=O)[O-])CN1 ZINC000886098679 708697972 /nfs/dbraw/zinc/69/79/72/708697972.db2.gz PKHFKEMSRIYGQE-STQMWFEESA-N 0 3 304.350 1.480 20 5 DDBDHN C[C@](O)(CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(F)F ZINC000886174916 708710229 /nfs/dbraw/zinc/71/02/29/708710229.db2.gz MEUBHUJDMBIOKN-LBPRGKRZSA-N 0 3 304.297 1.444 20 5 DDBDHN CCN1CCCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000910273649 709857226 /nfs/dbraw/zinc/85/72/26/709857226.db2.gz KBFMWMNHJHPGRK-NSHDSACASA-N 0 3 321.381 1.588 20 5 DDBDHN CC(COC(=O)Cc1ccccc1N1CCCC1=O)[N+](=O)[O-] ZINC000893044375 710546243 /nfs/dbraw/zinc/54/62/43/710546243.db2.gz HXYIHYGNRAWGHK-LLVKDONJSA-N 0 3 306.318 1.564 20 5 DDBDHN CN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000893264674 710582472 /nfs/dbraw/zinc/58/24/72/710582472.db2.gz GOSGQAVRVOXNNL-CQSZACIVSA-N 0 3 320.393 1.873 20 5 DDBDHN Cc1cc(OCC(=O)N[C@@H]2CCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000928438153 713195838 /nfs/dbraw/zinc/19/58/38/713195838.db2.gz SQQVRENQUJVQMG-WCQYABFASA-N 0 3 307.350 1.491 20 5 DDBDHN CN1C[C@H]2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@H]2C1 ZINC000893939062 710893122 /nfs/dbraw/zinc/89/31/22/710893122.db2.gz HFDVBUMDOKJOLS-ABAIWWIYSA-N 0 3 316.361 1.620 20 5 DDBDHN CN(CCO)CCN(C)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000894591712 711199050 /nfs/dbraw/zinc/19/90/50/711199050.db2.gz UNPJIFFGDJLVMM-UHFFFAOYSA-N 0 3 304.350 1.503 20 5 DDBDHN COc1cc([N+](=O)[O-])cnc1NC[C@H]1CCN1C1CCOCC1 ZINC000896526577 711739147 /nfs/dbraw/zinc/73/91/47/711739147.db2.gz YZMAVFPNUNNRKB-GFCCVEGCSA-N 0 3 322.365 1.664 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1COC[C@H]1C1CC1)OCCO2 ZINC000914433376 713395233 /nfs/dbraw/zinc/39/52/33/713395233.db2.gz OKWNYJZTDFRPHZ-QWHCGFSZSA-N 0 3 320.345 1.881 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000917789287 713514055 /nfs/dbraw/zinc/51/40/55/713514055.db2.gz MLOUYNZUJNVMGO-RISCZKNCSA-N 0 3 322.365 1.365 20 5 DDBDHN O=[N+]([O-])c1cc(CNC[C@H]2CCN2C2CCOCC2)cs1 ZINC000922950106 714195307 /nfs/dbraw/zinc/19/53/07/714195307.db2.gz CFACEEZLSAMTDE-CYBMUJFWSA-N 0 3 311.407 1.999 20 5 DDBDHN C[C@]12CSC[C@H]1CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000934772767 714898464 /nfs/dbraw/zinc/89/84/64/714898464.db2.gz JBQSBNQIGDZVIB-DOMZBBRYSA-N 0 3 321.402 1.879 20 5 DDBDHN O=C(/C=C/c1ccc[nH]1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126239289 738745026 /nfs/dbraw/zinc/74/50/26/738745026.db2.gz WJSKAFCSZACCCL-VOTSOKGWSA-N 0 3 314.345 1.842 20 5 DDBDHN O=C(CC(F)(F)F)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001124419960 748209149 /nfs/dbraw/zinc/20/91/49/748209149.db2.gz QIKPKGBRUOBXSB-UHFFFAOYSA-N 0 3 305.256 1.753 20 5 DDBDHN O=c1oc2ccc(CNCCn3cc([N+](=O)[O-])cn3)cc2o1 ZINC001201191869 748431386 /nfs/dbraw/zinc/43/13/86/748431386.db2.gz ANTQTRLBEPAMAD-UHFFFAOYSA-N 0 3 304.262 1.281 20 5 DDBDHN Cc1cc(N(C)S(=O)(=O)CCN)nc2ccc([N+](=O)[O-])cc12 ZINC001156231450 762102671 /nfs/dbraw/zinc/10/26/71/762102671.db2.gz HBYACBSGNXXDJG-UHFFFAOYSA-N 0 3 324.362 1.176 20 5 DDBDHN COc1ccc(OC)c(C(=O)CN[C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168959408 762154944 /nfs/dbraw/zinc/15/49/44/762154944.db2.gz VRRYJOJCFPBUAR-NEPJUHHUSA-N 0 3 322.361 1.922 20 5 DDBDHN O=C(c1ccco1)N1CCCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169037075 762192583 /nfs/dbraw/zinc/19/25/83/762192583.db2.gz IOZMOAPQUFWNIL-UONOGXRCSA-N 0 3 321.377 1.873 20 5 DDBDHN C[C@@H](Nc1ncnc2cc(F)c([N+](=O)[O-])cc21)[C@@H]1CNCCO1 ZINC001170563949 768160235 /nfs/dbraw/zinc/16/02/35/768160235.db2.gz OOAPCPYWVQKUPL-OQPBUACISA-N 0 3 321.312 1.466 20 5 DDBDHN COc1ccc(C[C@H](C)N2CC[C@@H](O)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170334408 766256564 /nfs/dbraw/zinc/25/65/64/766256564.db2.gz DGUXSSZQEXHVRR-DETPVDSQSA-N 0 3 324.377 1.210 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1CC2(CC2)C1 ZINC001133646415 770094740 /nfs/dbraw/zinc/09/47/40/770094740.db2.gz JSRJZQBQKJSEHT-UHFFFAOYSA-N 0 3 303.362 1.991 20 5 DDBDHN CCN(CC)CC(=O)N(C)CCNc1ncc([N+](=O)[O-])cc1C ZINC001101628682 777324132 /nfs/dbraw/zinc/32/41/32/777324132.db2.gz ZANWRQIZSNOIFA-UHFFFAOYSA-N 0 3 323.397 1.510 20 5 DDBDHN CCN1C[C@@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001178860298 779215010 /nfs/dbraw/zinc/21/50/10/779215010.db2.gz AAKIRMXOVBTIJT-LLVKDONJSA-N 0 3 307.354 1.032 20 5 DDBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cnoc1 ZINC001266813497 836873928 /nfs/dbraw/zinc/87/39/28/836873928.db2.gz TYVDWVUDFUCAJN-UHFFFAOYSA-N 0 3 318.333 1.374 20 5 DDBDHN COC(=O)[C@H]1CCC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001326697750 861552478 /nfs/dbraw/zinc/55/24/78/861552478.db2.gz GHZRIBHBYVKNHD-QWRGUYRKSA-N 0 3 321.333 1.465 20 5 DDBDHN C[C@H](Nc1ncnc2cc([N+](=O)[O-])ccc21)[C@@H]1CNCCO1 ZINC001159496019 865348218 /nfs/dbraw/zinc/34/82/18/865348218.db2.gz IADFXAKUNOQMDD-ZANVPECISA-N 0 3 303.322 1.327 20 5 DDBDHN C[C@H](Nc1nccc2cc([N+](=O)[O-])ccc21)[C@H]1CNCCO1 ZINC001159499650 865355117 /nfs/dbraw/zinc/35/51/17/865355117.db2.gz BBJQJSCILDQGAE-IINYFYTJSA-N 0 3 302.334 1.932 20 5 DDBDHN O=[N+]([O-])c1cnc(N[C@H]2CCN(C3CCC3)C2)c([N+](=O)[O-])c1 ZINC001161177253 866428092 /nfs/dbraw/zinc/42/80/92/866428092.db2.gz LMOCNBOGSHBWNM-VIFPVBQESA-N 0 3 307.310 1.937 20 5 DDBDHN COc1cccc(NCc2nnn3c2CNCCC3)c1[N+](=O)[O-] ZINC001162971668 867960249 /nfs/dbraw/zinc/96/02/49/867960249.db2.gz LSVOWHXIOBTKNO-UHFFFAOYSA-N 0 3 318.337 1.300 20 5 DDBDHN Cc1c(F)cc([N+](=O)[O-])cc1NCc1nnn2c1CNCCC2 ZINC001162978796 867969036 /nfs/dbraw/zinc/96/90/36/867969036.db2.gz GMSBRYCYYYLJFP-UHFFFAOYSA-N 0 3 320.328 1.739 20 5 DDBDHN C[C@@H](CNCCNc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC001356533274 879091263 /nfs/dbraw/zinc/09/12/63/879091263.db2.gz PUWBXTZAKHOIGE-JTQLQIEISA-N 0 3 301.368 1.029 20 5 DDBDHN CCN1C[C@@H](C)N(c2nnc(C[N+](=O)[O-])n2CC(C)C)C[C@@H]1C ZINC001358057079 880310714 /nfs/dbraw/zinc/31/07/14/880310714.db2.gz HAQALPNFXSKUHY-QWHCGFSZSA-N 0 3 324.429 1.630 20 5 DDBDHN CSC[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000249464844 282158169 /nfs/dbraw/zinc/15/81/69/282158169.db2.gz QANAIYGPYLXJFD-PWSUYJOCSA-N 0 3 312.395 1.200 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000412382646 529797358 /nfs/dbraw/zinc/79/73/58/529797358.db2.gz WVEZGGJPCSZJTJ-BVUBDWEXSA-N 0 3 315.373 1.861 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H](O)CC1 ZINC000293025977 282361278 /nfs/dbraw/zinc/36/12/78/282361278.db2.gz FVSVUIIQRSXRBT-OLZOCXBDSA-N 0 3 310.350 1.181 20 5 DDBDHN COCCN1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000141381813 186029996 /nfs/dbraw/zinc/02/99/96/186029996.db2.gz VDZDMKFINJRKGZ-UHFFFAOYSA-N 0 3 313.379 1.497 20 5 DDBDHN Cc1nn(CC(=O)NC2CCN(C3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000021681264 352174188 /nfs/dbraw/zinc/17/41/88/352174188.db2.gz UBVWNTUBVWXGRY-UHFFFAOYSA-N 0 3 321.381 1.151 20 5 DDBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000056347421 352768622 /nfs/dbraw/zinc/76/86/22/352768622.db2.gz JIWDJCSRBUJCJO-ZDUSSCGKSA-N 0 3 316.361 1.826 20 5 DDBDHN CCN1CCC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000063665770 352918892 /nfs/dbraw/zinc/91/88/92/352918892.db2.gz MRLIZMIKHWDTJX-UHFFFAOYSA-N 0 3 321.377 1.964 20 5 DDBDHN COc1cc(OCC(=O)NCCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000066923943 353025920 /nfs/dbraw/zinc/02/59/20/353025920.db2.gz ANSNQFXRGPFQIE-UHFFFAOYSA-N 0 3 323.349 1.193 20 5 DDBDHN C[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000173390547 198209177 /nfs/dbraw/zinc/20/91/77/198209177.db2.gz NLXSAWLBIPJLLC-KGLIPLIRSA-N 0 3 306.410 1.881 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCN(C(C)C)CC1 ZINC000068777284 353129348 /nfs/dbraw/zinc/12/93/48/353129348.db2.gz IWUOWCKZLAANKW-UHFFFAOYSA-N 0 3 309.370 1.042 20 5 DDBDHN Cc1cc(N(C)CCCN2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000074750100 353328356 /nfs/dbraw/zinc/32/83/56/353328356.db2.gz WTPUNDBBWJDCKH-UHFFFAOYSA-N 0 3 307.398 1.372 20 5 DDBDHN O=[N+]([O-])c1ccc(CNCC[C@]2(O)CCOC2)c(Cl)c1 ZINC000404209094 354674917 /nfs/dbraw/zinc/67/49/17/354674917.db2.gz OXIGVIFBERNODY-ZDUSSCGKSA-N 0 3 300.742 1.879 20 5 DDBDHN C[C@H](C(=O)N1CC[C@@H]2CN(C)C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000590045622 355043568 /nfs/dbraw/zinc/04/35/68/355043568.db2.gz SKKDWERJXVPTKH-LNSITVRQSA-N 0 3 303.362 1.861 20 5 DDBDHN CCOc1cc(CN(C[C@H](C)O)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000276972772 213210753 /nfs/dbraw/zinc/21/07/53/213210753.db2.gz XFELUBQVIIKZMC-RYUDHWBXSA-N 0 3 312.366 1.557 20 5 DDBDHN Cc1ccc([C@@H](C)NC(=O)COC2(C)CNC2)cc1[N+](=O)[O-] ZINC000592542244 355622459 /nfs/dbraw/zinc/62/24/59/355622459.db2.gz SUTFQQAYBUUCQR-LLVKDONJSA-N 0 3 307.350 1.459 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000593588730 355935169 /nfs/dbraw/zinc/93/51/69/355935169.db2.gz LXBKQCNUTCIOFL-IAQYHMDHSA-N 0 3 321.352 1.829 20 5 DDBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CC(N2CC[C@@H](O)C2)C1 ZINC000593679839 355964767 /nfs/dbraw/zinc/96/47/67/355964767.db2.gz MWJKRRGYKLRDAX-SJDLMVEWSA-N 0 3 303.362 1.359 20 5 DDBDHN CN(CCN1CCCCC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000593883604 356041057 /nfs/dbraw/zinc/04/10/57/356041057.db2.gz PKIAUJLNJMEYLW-UHFFFAOYSA-N 0 3 309.370 1.126 20 5 DDBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC(=O)N(C)C1 ZINC000593991707 356081164 /nfs/dbraw/zinc/08/11/64/356081164.db2.gz JAMVJJOKAFLGAC-CQSZACIVSA-N 0 3 321.377 1.916 20 5 DDBDHN C[C@@H](O)CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594063066 356103300 /nfs/dbraw/zinc/10/33/00/356103300.db2.gz IGXQALUFLNGGLL-DGCLKSJQSA-N 0 3 310.350 1.180 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@@H](C)[NH+](C)C ZINC000594817925 356326841 /nfs/dbraw/zinc/32/68/41/356326841.db2.gz WDWMVEVMAIWCIT-LLVKDONJSA-N 0 3 315.395 1.522 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H](CO)CC1CC1)OCCO2 ZINC000594982371 356367856 /nfs/dbraw/zinc/36/78/56/356367856.db2.gz DBGBFSLAAMLZIK-GFCCVEGCSA-N 0 3 322.361 1.864 20 5 DDBDHN CCC[C@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236828551 202028516 /nfs/dbraw/zinc/02/85/16/202028516.db2.gz IHOATNSVZLIYEK-AWEZNQCLSA-N 0 3 306.366 1.371 20 5 DDBDHN C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1CCO ZINC000595706887 356617040 /nfs/dbraw/zinc/61/70/40/356617040.db2.gz YEYWJSSLLYJQPZ-OCCSQVGLSA-N 0 3 309.366 1.239 20 5 DDBDHN CC(C)NC(=O)[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595851957 356678825 /nfs/dbraw/zinc/67/88/25/356678825.db2.gz XDSVTKUGPDMXES-GFCCVEGCSA-N 0 3 309.370 1.028 20 5 DDBDHN Cc1c(CN)c(NC(=O)COc2ccccc2[N+](=O)[O-])nn1C ZINC000595961021 356724619 /nfs/dbraw/zinc/72/46/19/356724619.db2.gz HQCBKMJEFAYCMQ-UHFFFAOYSA-N 0 3 319.321 1.113 20 5 DDBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CCN1 ZINC000596015970 356747411 /nfs/dbraw/zinc/74/74/11/356747411.db2.gz LJRHCIGTUWYHGU-NSHDSACASA-N 0 3 324.356 1.369 20 5 DDBDHN O=[N+]([O-])c1cncc(Cl)c1NCCCN1CCC(O)CC1 ZINC000596085925 356767137 /nfs/dbraw/zinc/76/71/37/356767137.db2.gz OYILZSQXWMMTPV-UHFFFAOYSA-N 0 3 314.773 1.324 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCOC2(CNC2)C1 ZINC000596097178 356770768 /nfs/dbraw/zinc/77/07/68/356770768.db2.gz FVCPYFARSPEZIM-UHFFFAOYSA-N 0 3 311.725 1.063 20 5 DDBDHN NC(=O)c1ccnc(NC[C@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000599163073 357834732 /nfs/dbraw/zinc/83/47/32/357834732.db2.gz ATCHAGJVUDDUOQ-LLVKDONJSA-N 0 3 319.365 1.518 20 5 DDBDHN CCOC(=O)C[C@@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000599404967 357924098 /nfs/dbraw/zinc/92/40/98/357924098.db2.gz OMUCAOFIQDTGEF-CQSZACIVSA-N 0 3 310.350 1.383 20 5 DDBDHN CCN(C(=O)CNc1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000599985874 358096486 /nfs/dbraw/zinc/09/64/86/358096486.db2.gz MRZHVLYIOIMQMQ-UHFFFAOYSA-N 0 3 320.393 1.949 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNCC[C@H](O)C(F)F)OCCO2 ZINC000601147349 358421037 /nfs/dbraw/zinc/42/10/37/358421037.db2.gz LEBUHNMEDSLTGT-JTQLQIEISA-N 0 3 318.276 1.472 20 5 DDBDHN NC1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000262088695 283398429 /nfs/dbraw/zinc/39/84/29/283398429.db2.gz HTMCUYIYGVBVLG-UHFFFAOYSA-N 0 3 304.350 1.125 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](Cn2ccnn2)C1 ZINC000602797806 359199293 /nfs/dbraw/zinc/19/92/93/359199293.db2.gz DOBVEGQYLQRIPK-CYBMUJFWSA-N 0 3 319.369 1.103 20 5 DDBDHN Cn1cncc1CCCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602961465 359323875 /nfs/dbraw/zinc/32/38/75/359323875.db2.gz AEYPQKGSGRKXGG-INIZCTEOSA-N 0 3 318.377 1.758 20 5 DDBDHN Cn1cc(CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)cn1 ZINC000604532831 359762199 /nfs/dbraw/zinc/76/21/99/359762199.db2.gz OHPFHOLZWVPKKX-UHFFFAOYSA-N 0 3 318.333 1.432 20 5 DDBDHN O=C(CN1CCCC1)N1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000609132835 360262631 /nfs/dbraw/zinc/26/26/31/360262631.db2.gz PXFZLHZLMJKKSG-UHFFFAOYSA-N 0 3 324.406 1.401 20 5 DDBDHN COc1ccc(C(=O)NCC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000276082561 212666430 /nfs/dbraw/zinc/66/64/30/212666430.db2.gz XEYFXNPOEFLSNA-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN CC(C)(CO)N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000611272230 360686017 /nfs/dbraw/zinc/68/60/17/360686017.db2.gz MUBMYJARYBZJLP-FNORWQNLSA-N 0 3 319.405 1.997 20 5 DDBDHN CCN1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000612030668 360895074 /nfs/dbraw/zinc/89/50/74/360895074.db2.gz WIWJMUGNOLWRJS-KGLIPLIRSA-N 0 3 323.393 1.361 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000193257780 201014160 /nfs/dbraw/zinc/01/41/60/201014160.db2.gz LDNSEDYJGHPOKY-LLVKDONJSA-N 0 3 313.379 1.242 20 5 DDBDHN COc1ccc(OCCN[C@@H]2C(=O)NCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000193634116 201091968 /nfs/dbraw/zinc/09/19/68/201091968.db2.gz JHHADVMOVSGLBB-HZMBPMFUSA-N 0 3 323.349 1.096 20 5 DDBDHN CCN1CCC[C@@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000194632428 201266002 /nfs/dbraw/zinc/26/60/02/201266002.db2.gz WTYVKCHSCUIKMR-GFCCVEGCSA-N 0 3 307.350 1.818 20 5 DDBDHN O=C1C[C@]2(CCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)CN1 ZINC000619077475 363888181 /nfs/dbraw/zinc/88/81/81/363888181.db2.gz HKOHEUFVBHZWMF-OICCZTGUSA-N 0 3 301.346 1.820 20 5 DDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)N1CCCC[C@H]1C ZINC000350014787 284132179 /nfs/dbraw/zinc/13/21/79/284132179.db2.gz QMUXUGYLPUOYTD-MNOVXSKESA-N 0 3 321.381 1.565 20 5 DDBDHN CN(C)CCN(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359360159 299422184 /nfs/dbraw/zinc/42/21/84/299422184.db2.gz LFHQLXVESZSYGU-UHFFFAOYSA-N 0 3 317.292 1.830 20 5 DDBDHN NC(=O)[C@H](Cc1ccccc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000351340941 284319760 /nfs/dbraw/zinc/31/97/60/284319760.db2.gz PBKCMJSOMWSMTM-INIZCTEOSA-N 0 3 313.357 1.824 20 5 DDBDHN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CCN1C[C@H](C)O ZINC000266392091 205314468 /nfs/dbraw/zinc/31/44/68/205314468.db2.gz OEAXAAZFFRTDEK-QWHCGFSZSA-N 0 3 323.393 1.885 20 5 DDBDHN COc1cc(N2CCO[C@H](CN(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000159909637 197372792 /nfs/dbraw/zinc/37/27/92/197372792.db2.gz FWMHWGLFDPGMPO-SNVBAGLBSA-N 0 3 313.329 1.509 20 5 DDBDHN Cc1n[n-]c(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000267465601 206087968 /nfs/dbraw/zinc/08/79/68/206087968.db2.gz RVBYTOZUBMSKCM-LLVKDONJSA-N 0 3 318.337 1.436 20 5 DDBDHN COCCN(C)CCCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000041423200 183190779 /nfs/dbraw/zinc/19/07/79/183190779.db2.gz YQTYMTCHQVOUQL-UHFFFAOYSA-N 0 3 309.366 1.601 20 5 DDBDHN C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(C)C ZINC000339056440 250273072 /nfs/dbraw/zinc/27/30/72/250273072.db2.gz LLYISNUIKUVIPG-NSHDSACASA-N 0 3 317.349 1.460 20 5 DDBDHN CN(C)CC[N@H+](C)CCCN(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339206502 250342516 /nfs/dbraw/zinc/34/25/16/250342516.db2.gz TWZNLONRVBTWKL-UHFFFAOYSA-N 0 3 324.425 1.616 20 5 DDBDHN CN(C)CC[N@@H+](C)CCCN(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339206502 250342521 /nfs/dbraw/zinc/34/25/21/250342521.db2.gz TWZNLONRVBTWKL-UHFFFAOYSA-N 0 3 324.425 1.616 20 5 DDBDHN CN(CCCN(C)Cc1cc([O-])ccc1[N+](=O)[O-])CC[NH+](C)C ZINC000339206502 250342524 /nfs/dbraw/zinc/34/25/24/250342524.db2.gz TWZNLONRVBTWKL-UHFFFAOYSA-N 0 3 324.425 1.616 20 5 DDBDHN CC(C)[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])N(C)C ZINC000106408612 194209346 /nfs/dbraw/zinc/20/93/46/194209346.db2.gz WLIKWYUTQKXVRZ-AWEZNQCLSA-N 0 3 308.382 1.709 20 5 DDBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285096836 218289880 /nfs/dbraw/zinc/28/98/80/218289880.db2.gz NPFDZBXDMHAJGB-LBPRGKRZSA-N 0 3 317.349 1.221 20 5 DDBDHN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)Cc1ccccc1 ZINC000340467450 251070637 /nfs/dbraw/zinc/07/06/37/251070637.db2.gz PFMMSGWLGPCUTM-ZDUSSCGKSA-N 0 3 316.361 1.826 20 5 DDBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000340590701 251127815 /nfs/dbraw/zinc/12/78/15/251127815.db2.gz GIXNUUIIVGICJX-CYBMUJFWSA-N 0 3 314.345 1.927 20 5 DDBDHN O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340590701 251127819 /nfs/dbraw/zinc/12/78/19/251127819.db2.gz GIXNUUIIVGICJX-CYBMUJFWSA-N 0 3 314.345 1.927 20 5 DDBDHN O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340590701 251127823 /nfs/dbraw/zinc/12/78/23/251127823.db2.gz GIXNUUIIVGICJX-CYBMUJFWSA-N 0 3 314.345 1.927 20 5 DDBDHN Nc1ccc(C(=O)NCCN2CCCCCC2)cc1[N+](=O)[O-] ZINC000059403101 184138544 /nfs/dbraw/zinc/13/85/44/184138544.db2.gz CINAZGFQRRKPAY-UHFFFAOYSA-N 0 3 306.366 1.783 20 5 DDBDHN O=C(CN[C@H](CO)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000289597151 221093274 /nfs/dbraw/zinc/09/32/74/221093274.db2.gz RGRSBXDJZJVOSF-CYBMUJFWSA-N 0 3 307.350 1.674 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)C[C@H]1COCCN1 ZINC000422711137 533222402 /nfs/dbraw/zinc/22/24/02/533222402.db2.gz GRAUZRNZMPFUIJ-YPMHNXCESA-N 0 3 309.366 1.460 20 5 DDBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@H](CO)[C@H]1CCCOC1 ZINC000414568976 224354603 /nfs/dbraw/zinc/35/46/03/224354603.db2.gz ZDXJJPZZOIKQIH-DLRQWSEHSA-N 0 3 306.362 1.985 20 5 DDBDHN COCCN(C)CCCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000490640128 533312812 /nfs/dbraw/zinc/31/28/12/533312812.db2.gz RSVOSTGBPXYDBS-HJWRWDBZSA-N 0 3 321.377 1.693 20 5 DDBDHN COc1ccc(CNC(=O)N2CCN[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000417175994 533602557 /nfs/dbraw/zinc/60/25/57/533602557.db2.gz BRVNSOIQOAPCKG-GHMZBOCLSA-N 0 3 322.365 1.495 20 5 DDBDHN CC[NH+](CC)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593525058 397382080 /nfs/dbraw/zinc/38/20/80/397382080.db2.gz ZMLUVFSBBYWRNZ-UHFFFAOYSA-N 0 3 316.383 1.000 20 5 DDBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(c2ncccc2[N+](=O)[O-])C1 ZINC000286328008 286095325 /nfs/dbraw/zinc/09/53/25/286095325.db2.gz JQFWFDWFEHZOEI-STQMWFEESA-N 0 3 306.366 1.679 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000361064037 299797452 /nfs/dbraw/zinc/79/74/52/299797452.db2.gz YSMGWPJZMYDNST-MNOVXSKESA-N 0 3 313.427 1.601 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCC[NH2+]C1 ZINC000044502426 407025597 /nfs/dbraw/zinc/02/55/97/407025597.db2.gz FVWUMYYEHQFAAL-LLVKDONJSA-N 0 3 313.379 1.181 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC[NH2+]2)cc1C ZINC000053254420 407165608 /nfs/dbraw/zinc/16/56/08/407165608.db2.gz XBWGGGWTXYAYOR-LLVKDONJSA-N 0 3 313.379 1.242 20 5 DDBDHN Cc1c(NC(=O)CCN(C)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000106882102 407365229 /nfs/dbraw/zinc/36/52/29/407365229.db2.gz IJFCKPXCOALEPL-LBPRGKRZSA-N 0 3 307.350 1.953 20 5 DDBDHN COCCCN(C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000125495934 407389761 /nfs/dbraw/zinc/38/97/61/407389761.db2.gz PITQHNCICPCWRS-UHFFFAOYSA-N 0 3 323.393 1.530 20 5 DDBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)CCN1CCOCC1 ZINC000112407458 407428902 /nfs/dbraw/zinc/42/89/02/407428902.db2.gz DVERZKQONGQTAZ-UHFFFAOYSA-N 0 3 309.366 1.238 20 5 DDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000115432796 407681638 /nfs/dbraw/zinc/68/16/38/407681638.db2.gz NPEXMZSAIMIWHV-ZDUSSCGKSA-N 0 3 321.377 1.774 20 5 DDBDHN CCc1ccc(C(=O)N(CCOC)CCN(C)C)cc1[N+](=O)[O-] ZINC000266947537 407685872 /nfs/dbraw/zinc/68/58/72/407685872.db2.gz QZEVEXVWIDNATR-UHFFFAOYSA-N 0 3 323.393 1.807 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCn3ccnc3)C2)nc1 ZINC000131884085 407756599 /nfs/dbraw/zinc/75/65/99/407756599.db2.gz WXNDUIAWACCLGF-LBPRGKRZSA-N 0 3 302.338 1.373 20 5 DDBDHN COc1cc(C(=O)N(C)CCN(C)C)cc([N+](=O)[O-])c1OC ZINC000267094700 407747785 /nfs/dbraw/zinc/74/77/85/407747785.db2.gz JGCYCWMENAYOGT-UHFFFAOYSA-N 0 3 311.338 1.246 20 5 DDBDHN CN(CCOCC1CC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000268118591 407899270 /nfs/dbraw/zinc/89/92/70/407899270.db2.gz NKVCYIWJGIUSIX-OAHLLOKOSA-N 0 3 324.377 1.693 20 5 DDBDHN C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000118129259 407899669 /nfs/dbraw/zinc/89/96/69/407899669.db2.gz HVSPGFSHJGWPNY-JTQLQIEISA-N 0 3 320.349 1.132 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000268151151 407917118 /nfs/dbraw/zinc/91/71/18/407917118.db2.gz UQUPASLZXMTSEW-XHDPSFHLSA-N 0 3 318.377 1.877 20 5 DDBDHN CCN1CC[C@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000272467538 407934168 /nfs/dbraw/zinc/93/41/68/407934168.db2.gz WIABJMJPDXLUSI-MNOVXSKESA-N 0 3 309.370 1.131 20 5 DDBDHN CC(C)(C)CCN1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174831629 407995527 /nfs/dbraw/zinc/99/55/27/407995527.db2.gz SEILLRZBEZEPDV-UHFFFAOYSA-N 0 3 309.414 1.845 20 5 DDBDHN Cc1nn(CCC(=O)N2C[C@@H](C)NC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000272604631 408004233 /nfs/dbraw/zinc/00/42/33/408004233.db2.gz RJKNJPLYXNFJSL-ZJUUUORDSA-N 0 3 309.370 1.007 20 5 DDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](N(C)C)C1 ZINC000245809718 408070799 /nfs/dbraw/zinc/07/07/99/408070799.db2.gz OGQIRIHORVTNAE-CHWSQXEVSA-N 0 3 320.393 1.948 20 5 DDBDHN C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N1CCC[C@H](C)C1 ZINC000245853958 408078258 /nfs/dbraw/zinc/07/82/58/408078258.db2.gz DGUGWEBIWSYPPM-WDEREUQCSA-N 0 3 309.370 1.179 20 5 DDBDHN COCCCN(C)CCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000175267117 408091498 /nfs/dbraw/zinc/09/14/98/408091498.db2.gz XGIOTJLJYDQQST-UHFFFAOYSA-N 0 3 324.381 1.362 20 5 DDBDHN CN(C)C[C@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000263938632 408321891 /nfs/dbraw/zinc/32/18/91/408321891.db2.gz YNMYFEMPKYYSKX-CYBMUJFWSA-N 0 3 307.350 1.526 20 5 DDBDHN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCO1 ZINC000183142279 408335656 /nfs/dbraw/zinc/33/56/56/408335656.db2.gz HWPRLAGSQXNNNQ-NHYWBVRUSA-N 0 3 319.361 1.641 20 5 DDBDHN O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000171452306 162219681 /nfs/dbraw/zinc/21/96/81/162219681.db2.gz AXDPZLCWSNWFMC-CYBMUJFWSA-N 0 3 318.377 1.703 20 5 DDBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000247320480 408450453 /nfs/dbraw/zinc/45/04/53/408450453.db2.gz SIUOQMCXZLWAGP-WCQYABFASA-N 0 3 318.377 1.733 20 5 DDBDHN COCCN(C)CCCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183576400 408444267 /nfs/dbraw/zinc/44/42/67/408444267.db2.gz IACFOOXPKRGZNF-UHFFFAOYSA-N 0 3 311.342 1.080 20 5 DDBDHN COCCN1CC[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000264438278 408487984 /nfs/dbraw/zinc/48/79/84/408487984.db2.gz BJYCJJTYMZGVIA-GBXSZLQWSA-N 0 3 319.361 1.445 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177087980 408515778 /nfs/dbraw/zinc/51/57/78/408515778.db2.gz LOLMANGLGOBSRZ-NEPJUHHUSA-N 0 3 319.361 1.715 20 5 DDBDHN Cc1ccc(NCCCNC(=O)[C@H](N)C(C)C)c([N+](=O)[O-])c1 ZINC000161543162 408615900 /nfs/dbraw/zinc/61/59/00/408615900.db2.gz CKLCITALLPJZQJ-CQSZACIVSA-N 0 3 308.382 1.805 20 5 DDBDHN C[C@@H]1C[C@@H](O)C[C@H](C)N1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248697399 408617951 /nfs/dbraw/zinc/61/79/51/408617951.db2.gz ARTFGOJESFOSBV-CRWXNKLISA-N 0 3 324.377 1.568 20 5 DDBDHN O=C(CCN1CCC(O)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185173354 408774676 /nfs/dbraw/zinc/77/46/76/408774676.db2.gz HCJBHWLVIMMROB-UHFFFAOYSA-N 0 3 311.313 1.519 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000194712288 163293884 /nfs/dbraw/zinc/29/38/84/163293884.db2.gz PJYZLSJTGKKXSW-GFCCVEGCSA-N 0 3 306.366 1.607 20 5 DDBDHN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3nonc32)[C@@H](C)C1 ZINC000277791498 409013026 /nfs/dbraw/zinc/01/30/26/409013026.db2.gz NJIXGLTXAXHXQR-VHSXEESVSA-N 0 3 321.337 1.022 20 5 DDBDHN CC1(C)OCC(CO)(NCCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000279220054 409172520 /nfs/dbraw/zinc/17/25/20/409172520.db2.gz IAQPQQWBUATCDP-UHFFFAOYSA-N 0 3 310.350 1.241 20 5 DDBDHN CC1(C)OCC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000295129150 409336046 /nfs/dbraw/zinc/33/60/46/409336046.db2.gz ARJLQHODBBJBBP-AWEZNQCLSA-N 0 3 319.361 1.641 20 5 DDBDHN C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000295273011 409409918 /nfs/dbraw/zinc/40/99/18/409409918.db2.gz GZDQYZMAITWICJ-NSHDSACASA-N 0 3 318.377 1.733 20 5 DDBDHN CN1CCC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000408371886 164310582 /nfs/dbraw/zinc/31/05/82/164310582.db2.gz FXHIXPCNCAHPPI-GFCCVEGCSA-N 0 3 307.354 1.049 20 5 DDBDHN CCc1n[nH]c(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000346144007 409819313 /nfs/dbraw/zinc/81/93/13/409819313.db2.gz UCIWFUGLJSCOKH-QWRGUYRKSA-N 0 3 323.397 1.873 20 5 DDBDHN CN1CCC[C@@]2(CCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)C1 ZINC000297883135 410035600 /nfs/dbraw/zinc/03/56/00/410035600.db2.gz VYUGSGFDBIFBLQ-OAHLLOKOSA-N 0 3 319.365 1.939 20 5 DDBDHN C[C@H](CN1CCCCCC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357433891 410036832 /nfs/dbraw/zinc/03/68/32/410036832.db2.gz BKJDNDUMLOBSTM-LLVKDONJSA-N 0 3 321.381 1.765 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)CN(C)C ZINC000351772201 410220672 /nfs/dbraw/zinc/22/06/72/410220672.db2.gz YTWFZTNALHSCTO-JTQLQIEISA-N 0 3 310.354 1.353 20 5 DDBDHN CC1CCN(CCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298714109 410361461 /nfs/dbraw/zinc/36/14/61/410361461.db2.gz IJIQAVWRJADNRD-UHFFFAOYSA-N 0 3 307.354 1.233 20 5 DDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[C@@H]1N1CCN(C)CC1 ZINC000343420812 410438856 /nfs/dbraw/zinc/43/88/56/410438856.db2.gz BHYBYJWZGVDKQS-HIFRSBDPSA-N 0 3 319.409 1.452 20 5 DDBDHN CCN1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000299577851 410597111 /nfs/dbraw/zinc/59/71/11/410597111.db2.gz CMROFYANZBABHR-UHFFFAOYSA-N 0 3 307.350 1.528 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000334042911 410626229 /nfs/dbraw/zinc/62/62/29/410626229.db2.gz ZXBBAYIHMVIKSX-QWRGUYRKSA-N 0 3 307.350 1.816 20 5 DDBDHN CNC(=O)c1ccc(N(C)[C@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301430497 410719779 /nfs/dbraw/zinc/71/97/79/410719779.db2.gz QEUQLFADGMXJQH-YPMHNXCESA-N 0 3 320.393 1.873 20 5 DDBDHN CC[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1c(C)nn(C)c1C ZINC000347901358 410783922 /nfs/dbraw/zinc/78/39/22/410783922.db2.gz KKXUYLKMVAPLPY-GFCCVEGCSA-N 0 3 306.370 1.883 20 5 DDBDHN C[C@H](CN(C)C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359657408 410799882 /nfs/dbraw/zinc/79/98/82/410799882.db2.gz GJLMSXVPTSEKHW-LLVKDONJSA-N 0 3 322.365 1.449 20 5 DDBDHN CCCN1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000343952821 410845193 /nfs/dbraw/zinc/84/51/93/410845193.db2.gz BQQWCTUQONNCHW-SNVBAGLBSA-N 0 3 307.354 1.375 20 5 DDBDHN COc1cc(C(=O)NCC2(N(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000416305574 224878034 /nfs/dbraw/zinc/87/80/34/224878034.db2.gz BKPORDJSBBUCAR-UHFFFAOYSA-N 0 3 311.313 1.567 20 5 DDBDHN C[C@H](CO)N1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000373742218 418454700 /nfs/dbraw/zinc/45/47/00/418454700.db2.gz OPLAMDZBEDBQRD-GFCCVEGCSA-N 0 3 311.357 1.622 20 5 DDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCc3nc[nH]c3C2)c([N+](=O)[O-])c1 ZINC000365614258 418883093 /nfs/dbraw/zinc/88/30/93/418883093.db2.gz SFDGPOYPMCZMPE-JTQLQIEISA-N 0 3 317.305 1.873 20 5 DDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCc3[nH]cnc3C2)c([N+](=O)[O-])c1 ZINC000365614258 418883094 /nfs/dbraw/zinc/88/30/94/418883094.db2.gz SFDGPOYPMCZMPE-JTQLQIEISA-N 0 3 317.305 1.873 20 5 DDBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000411511614 418910694 /nfs/dbraw/zinc/91/06/94/418910694.db2.gz ZDUDCGUBPACXBA-HNNXBMFYSA-N 0 3 323.349 1.007 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(C)cc(CN)c1 ZINC000424239990 228250056 /nfs/dbraw/zinc/25/00/56/228250056.db2.gz MWBAHZUIDVJGTP-UHFFFAOYSA-N 0 3 317.349 1.896 20 5 DDBDHN CN(CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411616176 419363394 /nfs/dbraw/zinc/36/33/94/419363394.db2.gz MJKWDGBLWRBLEQ-LSDHHAIUSA-N 0 3 303.362 1.909 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2C[C@@H](O)C[C@H]2c2ccccc2)n1 ZINC000411948334 419515879 /nfs/dbraw/zinc/51/58/79/419515879.db2.gz PQNWEPGZLRNRRD-KBPBESRZSA-N 0 3 302.334 1.599 20 5 DDBDHN CN(C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1cccs1 ZINC000298759946 228744363 /nfs/dbraw/zinc/74/43/63/228744363.db2.gz ZRYIQEUEQSYYFV-MRVPVSSYSA-N 0 3 308.367 1.743 20 5 DDBDHN Cc1c(NC(=O)[C@@H](C)N2CCN[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000420339935 420221108 /nfs/dbraw/zinc/22/11/08/420221108.db2.gz RPSWZPRFZQSXTR-CMPLNLGQSA-N 0 3 306.366 1.524 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CCN(C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000433748448 420253986 /nfs/dbraw/zinc/25/39/86/420253986.db2.gz LCBQWOIFOLYZEF-JTQLQIEISA-N 0 3 309.370 1.608 20 5 DDBDHN CN1CCC[C@]2(CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])C2)C1 ZINC000420645852 420340452 /nfs/dbraw/zinc/34/04/52/420340452.db2.gz ZMHJPEYGBHLERZ-INIZCTEOSA-N 0 3 318.377 1.616 20 5 DDBDHN C[C@H]1[C@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C ZINC000444688247 230121738 /nfs/dbraw/zinc/12/17/38/230121738.db2.gz IXNNWQYUAJKGKC-QWRGUYRKSA-N 0 3 303.366 1.996 20 5 DDBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@@H](c3nnc[nH]3)C2)c1 ZINC000425541167 420414503 /nfs/dbraw/zinc/41/45/03/420414503.db2.gz FYOXRMFKCNLBJI-LLVKDONJSA-N 0 3 303.322 1.581 20 5 DDBDHN CN1CC=C(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000492363580 420535522 /nfs/dbraw/zinc/53/55/22/420535522.db2.gz GZNUUDTXKBZPGZ-SREVYHEPSA-N 0 3 301.346 1.986 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-]CC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000440361689 420570245 /nfs/dbraw/zinc/57/02/45/420570245.db2.gz YMNKPBZRYULKFY-LLVKDONJSA-N 0 3 313.379 1.181 20 5 DDBDHN CCN(CCO)CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492624887 420610550 /nfs/dbraw/zinc/61/05/50/420610550.db2.gz URFAOCUKTSOITI-SREVYHEPSA-N 0 3 307.350 1.038 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457121481 420620725 /nfs/dbraw/zinc/62/07/25/420620725.db2.gz OLIPQTDHTFFIED-ZDUSSCGKSA-N 0 3 323.397 1.431 20 5 DDBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1CNCCC1(F)F ZINC000493094681 420756544 /nfs/dbraw/zinc/75/65/44/420756544.db2.gz RPVDIBMVBBLNKP-RYBZSIHZSA-N 0 3 311.288 1.721 20 5 DDBDHN O=[N+]([O-])c1cnn(CCNCc2ccnn2C2CCCC2)c1 ZINC000449198055 420967924 /nfs/dbraw/zinc/96/79/24/420967924.db2.gz ZNJHBGWUNXDEAW-UHFFFAOYSA-N 0 3 304.354 1.893 20 5 DDBDHN COc1cc(CNCCC2(CO)CC2)c([N+](=O)[O-])cc1OC ZINC000449576830 421030559 /nfs/dbraw/zinc/03/05/59/421030559.db2.gz BPTRJMOWEFXDAP-UHFFFAOYSA-N 0 3 310.350 1.864 20 5 DDBDHN CC(COC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000497144592 421371629 /nfs/dbraw/zinc/37/16/29/421371629.db2.gz JTDXNNKYFCRUJS-QWRGUYRKSA-N 0 3 316.354 1.984 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccncc1 ZINC000551816625 421543840 /nfs/dbraw/zinc/54/38/40/421543840.db2.gz BZJLNEYATIDXDW-CYBMUJFWSA-N 0 3 303.318 1.519 20 5 DDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000517873584 421630278 /nfs/dbraw/zinc/63/02/78/421630278.db2.gz GGGRRKYCMSRPRQ-CYBMUJFWSA-N 0 3 324.381 1.116 20 5 DDBDHN Cn1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000517922811 421633128 /nfs/dbraw/zinc/63/31/28/421633128.db2.gz TWRANUFVLBILPK-AWEZNQCLSA-N 0 3 305.334 1.463 20 5 DDBDHN CNc1ccc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000531482989 421635252 /nfs/dbraw/zinc/63/52/52/421635252.db2.gz JXPUARZCZCYKNO-JQWIXIFHSA-N 0 3 318.377 1.992 20 5 DDBDHN C[C@@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000572301297 421776665 /nfs/dbraw/zinc/77/66/65/421776665.db2.gz ASCGHSFVYGHJLO-GFCCVEGCSA-N 0 3 303.362 1.821 20 5 DDBDHN CC(C)C(=O)NCCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000557875506 421792414 /nfs/dbraw/zinc/79/24/14/421792414.db2.gz FDTRKGSBPZGDNO-UHFFFAOYSA-N 0 3 322.365 1.285 20 5 DDBDHN CCc1ccccc1[C@@H](N)CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000581011029 421880878 /nfs/dbraw/zinc/88/08/78/421880878.db2.gz IDRHYIVOJBTVSF-LBPRGKRZSA-N 0 3 317.349 1.321 20 5 DDBDHN NC1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC2(CCC2)C1 ZINC000595953292 422359321 /nfs/dbraw/zinc/35/93/21/422359321.db2.gz ZRBXQDXWQQHHBZ-UHFFFAOYSA-N 0 3 315.333 2.071 20 5 DDBDHN Nc1ccc(NC[C@@H]2CCN2Cc2ccccc2)nc1[N+](=O)[O-] ZINC000596559444 422380195 /nfs/dbraw/zinc/38/01/95/422380195.db2.gz YPNIWIAOKYUXQH-ZDUSSCGKSA-N 0 3 313.361 2.258 20 5 DDBDHN C[C@H](CNCCc1ccc(Cl)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000578642424 422616923 /nfs/dbraw/zinc/61/69/23/422616923.db2.gz GDHZGECKDKGBRL-SECBINFHSA-N 0 3 320.798 1.813 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CCCC3)C2)n1 ZINC000191797475 263462004 /nfs/dbraw/zinc/46/20/04/263462004.db2.gz LVQCQUQTXGXUMR-LLVKDONJSA-N 0 3 307.354 1.122 20 5 DDBDHN CNS(=O)(=O)CCCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000342334486 271380074 /nfs/dbraw/zinc/38/00/74/271380074.db2.gz CDDOWFBDTUZANJ-NSHDSACASA-N 0 3 315.395 1.493 20 5 DDBDHN CCCN(CCN(C)C)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000344860467 272130245 /nfs/dbraw/zinc/13/02/45/272130245.db2.gz SAMHHPPRZVBCFV-UHFFFAOYSA-N 0 3 311.386 1.855 20 5 DDBDHN CCCN(CCN(C)C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000344860467 272130247 /nfs/dbraw/zinc/13/02/47/272130247.db2.gz SAMHHPPRZVBCFV-UHFFFAOYSA-N 0 3 311.386 1.855 20 5 DDBDHN O=C(NC[C@H]1NCCc2ccccc21)c1ccc([N+](=O)[O-])o1 ZINC000262558833 274983035 /nfs/dbraw/zinc/98/30/35/274983035.db2.gz UTZSJVYOQSDQSR-GFCCVEGCSA-N 0 3 301.302 1.805 20 5 DDBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000330559662 279309483 /nfs/dbraw/zinc/30/94/83/279309483.db2.gz HJIUFEVWOKUZIO-VXGBXAGGSA-N 0 3 308.382 1.784 20 5 DDBDHN NC(=O)c1ccc(CN(CCO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000120770290 295179394 /nfs/dbraw/zinc/17/93/94/295179394.db2.gz FHTRXALALXUJQO-UHFFFAOYSA-N 0 3 321.377 1.821 20 5 DDBDHN NC(=O)c1ccnc(N2CCC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000357324434 299007897 /nfs/dbraw/zinc/00/78/97/299007897.db2.gz JHYDYJLLIKCTRK-NSHDSACASA-N 0 3 319.365 1.153 20 5 DDBDHN CCCN1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000363326031 300251894 /nfs/dbraw/zinc/25/18/94/300251894.db2.gz ORSOYLUNXNIMJO-UHFFFAOYSA-N 0 3 321.377 1.918 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](OCC3CC3)C2)c1 ZINC000364451247 300398784 /nfs/dbraw/zinc/39/87/84/300398784.db2.gz XOMNTTZCINUWGM-GJZGRUSLSA-N 0 3 324.381 1.043 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](OCC3CC3)C2)c1 ZINC000364451249 300399123 /nfs/dbraw/zinc/39/91/23/300399123.db2.gz XOMNTTZCINUWGM-LSDHHAIUSA-N 0 3 324.381 1.043 20 5 DDBDHN COCCCN1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000377489980 302184461 /nfs/dbraw/zinc/18/44/61/302184461.db2.gz OWTPRHIGCTTXRI-UHFFFAOYSA-N 0 3 321.377 1.779 20 5 DDBDHN C[C@@H](O)CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000531143181 303232766 /nfs/dbraw/zinc/23/27/66/303232766.db2.gz QEXJAYAZUAPYJQ-CYBMUJFWSA-N 0 3 304.350 1.674 20 5 DDBDHN CN1CC=C(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000538350453 303384207 /nfs/dbraw/zinc/38/42/07/303384207.db2.gz KAYVMFOPYLXFFF-UHFFFAOYSA-N 0 3 319.317 1.315 20 5 DDBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H](O)CC(F)(F)F)CC2)n1 ZINC000369683549 307126576 /nfs/dbraw/zinc/12/65/76/307126576.db2.gz MQRGDGCYNWDLBA-JTQLQIEISA-N 0 3 322.287 1.742 20 5 DDBDHN CSC[C@H](O)CN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372294465 307167703 /nfs/dbraw/zinc/16/77/03/307167703.db2.gz JNMAYJPFDUZMTI-CMPLNLGQSA-N 0 3 300.384 1.152 20 5 DDBDHN COC(=O)[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC12CCC2 ZINC000373175649 307181076 /nfs/dbraw/zinc/18/10/76/307181076.db2.gz ANLBMMHJLVXJDV-NSHDSACASA-N 0 3 308.338 1.066 20 5 DDBDHN CN(CCCCCO)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000434682859 307304285 /nfs/dbraw/zinc/30/42/85/307304285.db2.gz BGKVUGTYPHSPOR-OAHLLOKOSA-N 0 3 321.377 1.795 20 5 DDBDHN CN(C)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])Cc1ccccc1 ZINC000554833187 307839417 /nfs/dbraw/zinc/83/94/17/307839417.db2.gz HIYQSCZPSIGWQE-LBPRGKRZSA-N 0 3 317.349 1.221 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@H](n3cncn3)C2)c1 ZINC000372370477 483932226 /nfs/dbraw/zinc/93/22/26/483932226.db2.gz UBSAKUIZRVSRHK-KGLIPLIRSA-N 0 3 303.322 1.167 20 5 DDBDHN C[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1 ZINC000417232757 534313308 /nfs/dbraw/zinc/31/33/08/534313308.db2.gz MYEJLZCSGUBXTR-VXGBXAGGSA-N 0 3 306.366 1.529 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2CCCO)c1 ZINC000452363779 534318091 /nfs/dbraw/zinc/31/80/91/534318091.db2.gz MDNSZGZSKIRVDO-CYBMUJFWSA-N 0 3 321.377 1.480 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@H](O)c1ccco1 ZINC000783910597 698891353 /nfs/dbraw/zinc/89/13/53/698891353.db2.gz WFUMKVQBGDWYTD-AAEUAGOBSA-N 0 3 322.317 1.251 20 5 DDBDHN COc1ccc(NC(=O)c2n[nH]c3c2CNCC3)cc1[N+](=O)[O-] ZINC000423724251 699145584 /nfs/dbraw/zinc/14/55/84/699145584.db2.gz MPMHMCBYZCHILV-UHFFFAOYSA-N 0 3 317.305 1.225 20 5 DDBDHN Cn1cc(C(C)(C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000754882439 700535566 /nfs/dbraw/zinc/53/55/66/700535566.db2.gz JDCWKXCFCAJVIX-AWEZNQCLSA-N 0 3 304.350 1.887 20 5 DDBDHN CCN(CCO)CCNC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000769636144 701250901 /nfs/dbraw/zinc/25/09/01/701250901.db2.gz WYLPKMRAJDQSJQ-OUKQBFOZSA-N 0 3 321.377 1.429 20 5 DDBDHN COC(=O)c1ccnc(N2CCN(C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000866112528 706621896 /nfs/dbraw/zinc/62/18/96/706621896.db2.gz DYPGYHLAIXDIOF-UHFFFAOYSA-N 0 3 322.365 1.697 20 5 DDBDHN Cc1nc2cc(F)c(F)cc2n1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813104711 702293010 /nfs/dbraw/zinc/29/30/10/702293010.db2.gz QCDSVSDUNIWWIA-ZETCQYMHSA-N 0 3 313.260 1.831 20 5 DDBDHN CC(C)CNC(=O)N1CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813105751 702293121 /nfs/dbraw/zinc/29/31/21/702293121.db2.gz UCDRRSOULKDCGI-NEPJUHHUSA-N 0 3 315.370 1.272 20 5 DDBDHN Cc1cc(S(C)(=O)=O)cc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813110518 702296187 /nfs/dbraw/zinc/29/61/87/702296187.db2.gz CFQAEOQSTOZTFU-VIFPVBQESA-N 0 3 315.347 1.529 20 5 DDBDHN CC(COC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)[N+](=O)[O-] ZINC000813111052 702296954 /nfs/dbraw/zinc/29/69/54/702296954.db2.gz BGESUJZVFWAMRW-SSDOTTSWSA-N 0 3 321.738 1.566 20 5 DDBDHN CC(COC(=O)[C@H](c1ccccc1)N1CCCCC1=O)[N+](=O)[O-] ZINC000813111647 702297173 /nfs/dbraw/zinc/29/71/73/702297173.db2.gz JSWOHZWJJFWSKV-WFASDCNBSA-N 0 3 320.345 1.949 20 5 DDBDHN CC(COC(=O)[C@@H](c1ccccc1)N1CCCCC1=O)[N+](=O)[O-] ZINC000813111646 702297465 /nfs/dbraw/zinc/29/74/65/702297465.db2.gz JSWOHZWJJFWSKV-SWLSCSKDSA-N 0 3 320.345 1.949 20 5 DDBDHN CC(COC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O)[N+](=O)[O-] ZINC000813114501 702299005 /nfs/dbraw/zinc/29/90/05/702299005.db2.gz RTUVUCMBHVIFJP-SKDRFNHKSA-N 0 3 310.281 1.387 20 5 DDBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCC(=O)NCC(F)F ZINC000866351145 706679128 /nfs/dbraw/zinc/67/91/28/706679128.db2.gz MYMWXDIHCJWXAR-MRVPVSSYSA-N 0 3 319.283 1.636 20 5 DDBDHN CC([C@@H](OC(=O)[C@@H]1CCNC(=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845874382 703211454 /nfs/dbraw/zinc/21/14/54/703211454.db2.gz HGNBSWMQQBIETA-GPCCPHFNSA-N 0 3 324.308 1.601 20 5 DDBDHN O=[N+]([O-])c1cccc(CNCC[S@](=O)CC(F)(F)F)c1 ZINC000850349457 703725959 /nfs/dbraw/zinc/72/59/59/703725959.db2.gz FQWZYVWCTHLULS-FQEVSTJZSA-N 0 3 310.297 1.995 20 5 DDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000851649287 703822605 /nfs/dbraw/zinc/82/26/05/703822605.db2.gz VESFCLJJILFYLM-VXGBXAGGSA-N 0 3 310.329 1.172 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000852314407 704008162 /nfs/dbraw/zinc/00/81/62/704008162.db2.gz SKLMQWZKHGTNQG-IUODEOHRSA-N 0 3 317.349 1.242 20 5 DDBDHN CC(C)(C)[S@@](=O)CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819057013 704062033 /nfs/dbraw/zinc/06/20/33/704062033.db2.gz RHPMPASFLWGNLI-ZSEKCTLFSA-N 0 3 314.407 1.765 20 5 DDBDHN CN1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CCC1(C)C ZINC000871151916 704231161 /nfs/dbraw/zinc/23/11/61/704231161.db2.gz GCSJLHXMTYFZHA-UHFFFAOYSA-N 0 3 321.377 1.916 20 5 DDBDHN [NH3+][C@H](C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000857763262 704621771 /nfs/dbraw/zinc/62/17/71/704621771.db2.gz SEXWKFKQGDRUAI-LLVKDONJSA-N 0 3 315.276 1.420 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874842039 705196638 /nfs/dbraw/zinc/19/66/38/705196638.db2.gz ZNFYMKGSWSYDER-QWRGUYRKSA-N 0 3 307.354 1.189 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874842039 705196641 /nfs/dbraw/zinc/19/66/41/705196641.db2.gz ZNFYMKGSWSYDER-QWRGUYRKSA-N 0 3 307.354 1.189 20 5 DDBDHN CCCN(C(=O)Cn1c(C)ncc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000823500095 705256188 /nfs/dbraw/zinc/25/61/88/705256188.db2.gz UPURNWSOZZZJIO-GFCCVEGCSA-N 0 3 309.370 1.042 20 5 DDBDHN CC(C)CN(CCN(C)C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825721419 705721630 /nfs/dbraw/zinc/72/16/30/705721630.db2.gz NBZCVADUDQAJEM-OAHLLOKOSA-N 0 3 323.393 1.674 20 5 DDBDHN O=C(NC[C@@H]1CNCCO1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876916536 705922434 /nfs/dbraw/zinc/92/24/34/705922434.db2.gz CSQUOHRIKGBGDP-ZDUSSCGKSA-N 0 3 315.329 1.466 20 5 DDBDHN O=[N+]([O-])c1c(NC[C@@H]2CCCCN2CCO)nc2ccccn21 ZINC000828461294 706184323 /nfs/dbraw/zinc/18/43/23/706184323.db2.gz RINPJDQMMKUOJL-LBPRGKRZSA-N 0 3 319.365 1.501 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C[C@@H]21 ZINC000836849705 707529319 /nfs/dbraw/zinc/52/93/19/707529319.db2.gz PUPXUGUFNURNTL-OQPBUACISA-N 0 3 308.313 1.092 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCN(CC)C[C@H]2C)n1 ZINC000910279789 709862080 /nfs/dbraw/zinc/86/20/80/709862080.db2.gz NCCTXQRPUDQRJA-LLVKDONJSA-N 0 3 309.370 1.368 20 5 DDBDHN C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCN1C ZINC000928455744 713204546 /nfs/dbraw/zinc/20/45/46/713204546.db2.gz UMMYINBGMWZOOQ-GXFFZTMASA-N 0 3 306.366 1.483 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000928459990 713206333 /nfs/dbraw/zinc/20/63/33/713206333.db2.gz YYGSZSDOSAXUHI-GWCFXTLKSA-N 0 3 317.349 1.153 20 5 DDBDHN CN(CCCN(C)c1c([N+](=O)[O-])cnn1C)Cc1ccncc1 ZINC000894372897 711092211 /nfs/dbraw/zinc/09/22/11/711092211.db2.gz UJXGSAPLUKVLRP-UHFFFAOYSA-N 0 3 318.381 1.682 20 5 DDBDHN O=[N+]([O-])CCNC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000905339748 712006907 /nfs/dbraw/zinc/00/69/07/712006907.db2.gz BXCZHUKEIKLCAI-JTQLQIEISA-N 0 3 306.284 1.723 20 5 DDBDHN C[C@@H]1COC[C@@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000905868334 712170529 /nfs/dbraw/zinc/17/05/29/712170529.db2.gz RPATVSWMOZZJEW-SWHYSGLUSA-N 0 3 305.334 1.325 20 5 DDBDHN C[C@@H](NS(=O)(=O)CCCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000921365864 713745422 /nfs/dbraw/zinc/74/54/22/713745422.db2.gz WYANODNCXZNYBF-LLVKDONJSA-N 0 3 315.395 1.527 20 5 DDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000923316461 714309706 /nfs/dbraw/zinc/30/97/06/714309706.db2.gz UYPYRRLXQDCSDC-NWDGAFQWSA-N 0 3 304.350 1.486 20 5 DDBDHN C[C@H]1COC[C@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000932493549 714345580 /nfs/dbraw/zinc/34/55/80/714345580.db2.gz HUTLBEAXRAVMAU-GZMMTYOYSA-N 0 3 313.741 1.811 20 5 DDBDHN CCOC(=O)[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000932648672 714376307 /nfs/dbraw/zinc/37/63/07/714376307.db2.gz ZOGASRYZLCEIQH-LBPRGKRZSA-N 0 3 308.334 1.859 20 5 DDBDHN Cc1ccc(CNC(=O)N[C@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000923910128 714488176 /nfs/dbraw/zinc/48/81/76/714488176.db2.gz JLDIKBRDZCQZHY-YPMHNXCESA-N 0 3 306.366 1.795 20 5 DDBDHN C/C(=C\C(=O)NC[C@@H]1C[C@H](O)CN1C)c1ccc([N+](=O)[O-])cc1 ZINC000924982051 714714905 /nfs/dbraw/zinc/71/49/05/714714905.db2.gz OPLBNAWKSQZRGY-LBXBEFBNSA-N 0 3 319.361 1.179 20 5 DDBDHN O=C(Cc1cccnc1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125700962 735336172 /nfs/dbraw/zinc/33/61/72/735336172.db2.gz GPJBYMXPJILGNY-UHFFFAOYSA-N 0 3 314.345 1.438 20 5 DDBDHN CCN(CC)CC(=O)N(CC)CCNc1ccc([N+](=O)[O-])cn1 ZINC001106775900 746059135 /nfs/dbraw/zinc/05/91/35/746059135.db2.gz KYIIBDGNFXZWCN-UHFFFAOYSA-N 0 3 323.397 1.592 20 5 DDBDHN Cc1cccnc1[C@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001198642327 747560049 /nfs/dbraw/zinc/56/00/49/747560049.db2.gz YVQMTKSCFULRJN-WCQYABFASA-N 0 3 305.338 1.206 20 5 DDBDHN Cc1cccnc1[C@@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001198642326 747560137 /nfs/dbraw/zinc/56/01/37/747560137.db2.gz YVQMTKSCFULRJN-DGCLKSJQSA-N 0 3 305.338 1.206 20 5 DDBDHN COc1nc(SC)nc(-n2ccc([C@@H](C)N)n2)c1[N+](=O)[O-] ZINC001169227754 762289454 /nfs/dbraw/zinc/28/94/54/762289454.db2.gz FDRYBLJWOAICJG-ZCFIWIBFSA-N 0 3 310.339 1.321 20 5 DDBDHN Cc1cc(CN)nn1-c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001163985454 755643016 /nfs/dbraw/zinc/64/30/16/755643016.db2.gz RFWJJKOTAVXMJE-UHFFFAOYSA-N 0 3 301.228 1.961 20 5 DDBDHN CCCN(CCN(C)C)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001136962681 772225704 /nfs/dbraw/zinc/22/57/04/772225704.db2.gz VFQVVGGEJSHEIZ-UHFFFAOYSA-N 0 3 303.750 1.385 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1N(C)CCNC(=O)CN(C)C(C)C ZINC001100149708 775734888 /nfs/dbraw/zinc/73/48/88/775734888.db2.gz MLHKSZBSQOKABT-UHFFFAOYSA-N 0 3 323.397 1.191 20 5 DDBDHN CC(C)N(C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001110158318 775974102 /nfs/dbraw/zinc/97/41/02/775974102.db2.gz GLDTYQRYBPMKMN-UHFFFAOYSA-N 0 3 321.381 1.391 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H]2COC[C@H]2O)c1F ZINC001173175050 777033974 /nfs/dbraw/zinc/03/39/74/777033974.db2.gz JQSQFKOVFATEHL-MKPLZMMCSA-N 0 3 314.313 1.023 20 5 DDBDHN CCCN(C)CC(=O)N(C)CCN(C)c1ccccc1[N+](=O)[O-] ZINC001105441838 844397999 /nfs/dbraw/zinc/39/79/99/844397999.db2.gz NGPCBFRMAVKDNE-UHFFFAOYSA-N 0 3 322.409 1.831 20 5 DDBDHN CC(C)[C@H]1CN(c2nnc(C[N+](=O)[O-])n2CC2CC2)CCN1C ZINC001123413224 859224608 /nfs/dbraw/zinc/22/46/08/859224608.db2.gz NTMKQRSWKGHYHV-CYBMUJFWSA-N 0 3 322.413 1.241 20 5 DDBDHN O=C(COCC1CC1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001124005559 859520732 /nfs/dbraw/zinc/52/07/32/859520732.db2.gz XSWCOATUQBMNGZ-UHFFFAOYSA-N 0 3 307.350 1.227 20 5 DDBDHN Cc1nc(Cl)nc(N[C@@H](C)[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159489149 865342671 /nfs/dbraw/zinc/34/26/71/865342671.db2.gz KKYZTLJJHUGECJ-POYBYMJQSA-N 0 3 301.734 1.135 20 5 DDBDHN C[NH+]1CCC2(CC[C@H](COc3nccc([O-])c3[N+](=O)[O-])O2)CC1 ZINC001225659993 881962792 /nfs/dbraw/zinc/96/27/92/881962792.db2.gz BBWTZHLCPYXBHN-LLVKDONJSA-N 0 3 323.349 1.718 20 5 DDBDHN CN1CCN(CCCNc2c(Cl)nccc2[N+](=O)[O-])CC1 ZINC001161703668 866909746 /nfs/dbraw/zinc/90/97/46/866909746.db2.gz KMTTYSHEYSJXBP-UHFFFAOYSA-N 0 3 313.789 1.693 20 5 DDBDHN COc1cc([N+](=O)[O-])cnc1NC1CCN([C@@H]2CCOC2)CC1 ZINC001333749157 866981396 /nfs/dbraw/zinc/98/13/96/866981396.db2.gz SWFCXCKSOKTTQU-GFCCVEGCSA-N 0 3 322.365 1.664 20 5 DDBDHN CN(CCN1CCCCC1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001164155996 868976412 /nfs/dbraw/zinc/97/64/12/868976412.db2.gz YZNKDVONXKHYEC-UHFFFAOYSA-N 0 3 307.354 1.130 20 5 DDBDHN C[C@@]1(CO)CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001254545139 896496438 /nfs/dbraw/zinc/49/64/38/896496438.db2.gz JEBJSZLTNZEBCX-CZUORRHYSA-N 0 3 324.377 1.429 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H](O)[C@@](C)(CO)C1 ZINC001254553822 896499485 /nfs/dbraw/zinc/49/94/85/896499485.db2.gz ZQALIKTUIKTVQP-UHOFOFEASA-N 0 3 308.378 1.591 20 5 DDBDHN C[C@]1(CO)CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@@H]1O ZINC001254593354 896521749 /nfs/dbraw/zinc/52/17/49/896521749.db2.gz LILUJHRMWPUFED-OWCLPIDISA-N 0 3 306.362 1.127 20 5 DDBDHN CC(C)[C@@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015498 185278205 /nfs/dbraw/zinc/27/82/05/185278205.db2.gz AGOAWGZKKZGNBY-LLVKDONJSA-N 0 3 315.395 1.507 20 5 DDBDHN CC(C)(C)[C@H](CO)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000278717434 282325795 /nfs/dbraw/zinc/32/57/95/282325795.db2.gz KMEJRHHMYYBPTI-ZDUSSCGKSA-N 0 3 310.350 1.958 20 5 DDBDHN C[C@H](NCCCNS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000173304697 186174156 /nfs/dbraw/zinc/17/41/56/186174156.db2.gz OCKZTISKBCXNMI-JTQLQIEISA-N 0 3 301.368 1.185 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCCC1 ZINC000046408671 352451684 /nfs/dbraw/zinc/45/16/84/352451684.db2.gz DTFJYIDVPMWLSF-NSHDSACASA-N 0 3 307.350 1.818 20 5 DDBDHN CC(=O)NCC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052849408 352629083 /nfs/dbraw/zinc/62/90/83/352629083.db2.gz VCBQSABWRGKLGF-UHFFFAOYSA-N 0 3 305.378 1.985 20 5 DDBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000056347420 352768499 /nfs/dbraw/zinc/76/84/99/352768499.db2.gz JIWDJCSRBUJCJO-CYBMUJFWSA-N 0 3 316.361 1.826 20 5 DDBDHN CN(C)CCn1cc(NC(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000061635911 352892365 /nfs/dbraw/zinc/89/23/65/352892365.db2.gz DRZZZQMWWOGCSN-UHFFFAOYSA-N 0 3 303.322 1.605 20 5 DDBDHN C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)N1CCCC[C@@H]1C ZINC000065780294 352962930 /nfs/dbraw/zinc/96/29/30/352962930.db2.gz TUWAYWZQIUKYRJ-QWHCGFSZSA-N 0 3 323.397 1.561 20 5 DDBDHN CN(CCNC(=O)CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000066924332 353026139 /nfs/dbraw/zinc/02/61/39/353026139.db2.gz AIZYEHQZYJTQLD-UHFFFAOYSA-N 0 3 306.366 1.607 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(Cc2ccccc2)C2CC2)c1 ZINC000174715848 198373766 /nfs/dbraw/zinc/37/37/66/198373766.db2.gz BTRPZOLFKTVCCP-MRXNPFEDSA-N 0 3 316.361 1.817 20 5 DDBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346192520 283017553 /nfs/dbraw/zinc/01/75/53/283017553.db2.gz NLMHDWPAINVCFG-AXFHLTTASA-N 0 3 307.354 1.120 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCNC2(CCCCC2)C1 ZINC000400760379 354663674 /nfs/dbraw/zinc/66/36/74/354663674.db2.gz QINHQNFBKGBAAJ-UHFFFAOYSA-N 0 3 306.366 1.682 20 5 DDBDHN CN(C)C[C@@H](CO)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000589101709 354959461 /nfs/dbraw/zinc/95/94/61/354959461.db2.gz IRZSXJHUVXYBHQ-VIFPVBQESA-N 0 3 307.272 1.948 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590443430 355097226 /nfs/dbraw/zinc/09/72/26/355097226.db2.gz IRCCTHOBQYUGRL-BXUZGUMPSA-N 0 3 305.334 1.136 20 5 DDBDHN COc1cccc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000590447418 355099547 /nfs/dbraw/zinc/09/95/47/355099547.db2.gz XDCSNEKQAIPBIM-CMPLNLGQSA-N 0 3 305.334 1.380 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCCN(C[C@@H]3CCCO3)CC2)cn1 ZINC000590685649 355146976 /nfs/dbraw/zinc/14/69/76/355146976.db2.gz HYNULAHNTKCNMM-AWEZNQCLSA-N 0 3 306.366 1.681 20 5 DDBDHN CCCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C)C1 ZINC000592833240 355707679 /nfs/dbraw/zinc/70/76/79/355707679.db2.gz XKDAVOJZALXMDM-CQSZACIVSA-N 0 3 321.377 1.916 20 5 DDBDHN CN(CCN1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000593884657 356040703 /nfs/dbraw/zinc/04/07/03/356040703.db2.gz VTBSHXANISGBHM-UHFFFAOYSA-N 0 3 306.366 1.735 20 5 DDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCCN2CCCC[C@H]12 ZINC000594600570 356261018 /nfs/dbraw/zinc/26/10/18/356261018.db2.gz MFEFLQSWRUFQBP-QWHCGFSZSA-N 0 3 319.365 1.518 20 5 DDBDHN COC(=O)[C@@H]1C[C@H]1[C@H](C)NCc1cc([N+](=O)[O-])ccc1OC ZINC000594919639 356354338 /nfs/dbraw/zinc/35/43/38/356354338.db2.gz IEIVOAYASKSNQZ-TVYUQYBPSA-N 0 3 308.334 1.891 20 5 DDBDHN C[C@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)c1cccc([N+](=O)[O-])c1 ZINC000595266509 356426112 /nfs/dbraw/zinc/42/61/12/356426112.db2.gz XTXLIHVHNIZSLS-ZWKOPEQDSA-N 0 3 310.329 1.737 20 5 DDBDHN CCCN1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000595477493 356509648 /nfs/dbraw/zinc/50/96/48/356509648.db2.gz UOUQAPAHMKRUCZ-ZDUSSCGKSA-N 0 3 306.366 1.878 20 5 DDBDHN O=C(c1cccc2c1CNC2)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595954315 356721828 /nfs/dbraw/zinc/72/18/28/356721828.db2.gz SAVYFGWWQPPLOI-UHFFFAOYSA-N 0 3 324.340 1.792 20 5 DDBDHN O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000595943502 356716680 /nfs/dbraw/zinc/71/66/80/356716680.db2.gz QEVBLDYDEGNWNP-GFCCVEGCSA-N 0 3 317.305 1.231 20 5 DDBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000596074311 356762323 /nfs/dbraw/zinc/76/23/23/356762323.db2.gz SXAMLFLGVXMOBM-UHFFFAOYSA-N 0 3 311.361 1.366 20 5 DDBDHN CCN1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1C ZINC000596176409 356803066 /nfs/dbraw/zinc/80/30/66/356803066.db2.gz FVCYCRMVWFQOGI-WDEREUQCSA-N 0 3 306.366 1.613 20 5 DDBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)[C@H]2C1 ZINC000596189727 356806920 /nfs/dbraw/zinc/80/69/20/356806920.db2.gz QGHLRECYVULPHF-YGRLFVJLSA-N 0 3 304.350 1.224 20 5 DDBDHN CN(C)CCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597099830 357060954 /nfs/dbraw/zinc/06/09/54/357060954.db2.gz FAXFHHBVAGHIKD-UHFFFAOYSA-N 0 3 301.734 1.514 20 5 DDBDHN O=C(N[C@@H]1CCN(C2CCCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000598220995 357497547 /nfs/dbraw/zinc/49/75/47/357497547.db2.gz SZSJEJXPOOVWLF-SNVBAGLBSA-N 0 3 307.354 1.455 20 5 DDBDHN CC(C)[C@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCN1 ZINC000598574792 357637850 /nfs/dbraw/zinc/63/78/50/357637850.db2.gz UNDZAAXYIPYIHO-LLVKDONJSA-N 0 3 321.333 1.394 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCc2ccco2)c1 ZINC000598763004 357721203 /nfs/dbraw/zinc/72/12/03/357721203.db2.gz HQCYRXXEUJSTTA-CYBMUJFWSA-N 0 3 306.318 1.760 20 5 DDBDHN COc1cc(C[NH2+]CCc2cncn2C)c([N+](=O)[O-])cc1[O-] ZINC000598917671 357757821 /nfs/dbraw/zinc/75/78/21/357757821.db2.gz FUEFXTCLKFVOAL-UHFFFAOYSA-N 0 3 306.322 1.375 20 5 DDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)CC1(O)CCC1 ZINC000599412155 357925883 /nfs/dbraw/zinc/92/58/83/357925883.db2.gz GIKYEOLAKLQVRX-CQSZACIVSA-N 0 3 308.378 1.735 20 5 DDBDHN CCOc1ccc([C@H](C)NC[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC000600710235 358290866 /nfs/dbraw/zinc/29/08/66/358290866.db2.gz MUAJAHXTJXTOAZ-WCQYABFASA-N 0 3 309.366 1.633 20 5 DDBDHN O=[N+]([O-])c1ccc(OCc2cn(CCN3CCCC3)nn2)cc1 ZINC000600977607 358366943 /nfs/dbraw/zinc/36/69/43/358366943.db2.gz JLJSYYOTHQPCHS-UHFFFAOYSA-N 0 3 317.349 1.861 20 5 DDBDHN CCCN(C)CC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601775616 358689995 /nfs/dbraw/zinc/68/99/95/358689995.db2.gz GMVPMGCBAMOCIP-OAHLLOKOSA-N 0 3 309.366 1.260 20 5 DDBDHN CO[C@]1(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCOC1 ZINC000602454051 358987504 /nfs/dbraw/zinc/98/75/04/358987504.db2.gz NUTSTIZNPOZYBO-INIZCTEOSA-N 0 3 321.377 1.522 20 5 DDBDHN CN1C[C@@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC000602673578 359117662 /nfs/dbraw/zinc/11/76/62/359117662.db2.gz WAVQSHPJGFRCTJ-GXFFZTMASA-N 0 3 302.334 1.872 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](n2ccnc2)C1 ZINC000602771580 359178961 /nfs/dbraw/zinc/17/89/61/359178961.db2.gz FLFZTIUSGSAYHZ-CYBMUJFWSA-N 0 3 304.354 1.633 20 5 DDBDHN COC(=O)[C@]1(C)CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602843903 359232517 /nfs/dbraw/zinc/23/25/17/359232517.db2.gz LEGOTHFWKFPEIH-CQSZACIVSA-N 0 3 310.354 1.375 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(Cn2ccnn2)CC1 ZINC000602801983 359201213 /nfs/dbraw/zinc/20/12/13/359201213.db2.gz SCFSLPRNCZXEIO-UHFFFAOYSA-N 0 3 319.369 1.103 20 5 DDBDHN Cc1nccn1CCCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963508 359326956 /nfs/dbraw/zinc/32/69/56/359326956.db2.gz WZOIEITUECSGHU-MRXNPFEDSA-N 0 3 318.377 1.987 20 5 DDBDHN NC1(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCC1 ZINC000237904854 202386074 /nfs/dbraw/zinc/38/60/74/202386074.db2.gz VVWHGCHGGJNCET-NSHDSACASA-N 0 3 319.365 1.274 20 5 DDBDHN CN(C)CC1(NC(=O)CCOc2ccccc2[N+](=O)[O-])CCC1 ZINC000281175365 216131058 /nfs/dbraw/zinc/13/10/58/216131058.db2.gz YENRPRPCDGUXBC-UHFFFAOYSA-N 0 3 321.377 1.964 20 5 DDBDHN COc1ccc(CC(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000610208767 360391042 /nfs/dbraw/zinc/39/10/42/360391042.db2.gz KRPRCMCVDQXJMO-DGCLKSJQSA-N 0 3 321.377 1.745 20 5 DDBDHN Cn1c(C(=O)N[C@H]2CCN(C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000359058416 299316421 /nfs/dbraw/zinc/31/64/21/299316421.db2.gz WYNACLBOMOERFV-NSHDSACASA-N 0 3 306.366 1.680 20 5 DDBDHN Cc1cccc(C(=O)N2CCC[C@](O)(CN(C)C)C2)c1[N+](=O)[O-] ZINC000618924039 363803508 /nfs/dbraw/zinc/80/35/08/363803508.db2.gz OWTHCJPENJBDIR-INIZCTEOSA-N 0 3 321.377 1.432 20 5 DDBDHN CC[C@H]1CN(C)CCCN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000619578160 364070992 /nfs/dbraw/zinc/07/09/92/364070992.db2.gz AZYZTKRUBVPFSB-ZDUSSCGKSA-N 0 3 323.397 1.433 20 5 DDBDHN CO[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000282271329 216873634 /nfs/dbraw/zinc/87/36/34/216873634.db2.gz HPWSVYHUXSHRAZ-AEGPPILISA-N 0 3 324.377 1.834 20 5 DDBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)C1(C(N)=O)CCCC1 ZINC000093212064 193216986 /nfs/dbraw/zinc/21/69/86/193216986.db2.gz ATQDJWWAAABLSQ-UHFFFAOYSA-N 0 3 307.350 1.704 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CO)CN1CCCCC1 ZINC000288574855 220252115 /nfs/dbraw/zinc/25/21/15/220252115.db2.gz RDFOOIDBPMNEJX-ZDUSSCGKSA-N 0 3 321.377 1.480 20 5 DDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000121124599 248270638 /nfs/dbraw/zinc/27/06/38/248270638.db2.gz WPZVXRQXTAEJLT-WFASDCNBSA-N 0 3 321.377 1.772 20 5 DDBDHN Cc1cccc(C(=O)NC[C@](C)(O)CCN(C)C)c1[N+](=O)[O-] ZINC000352107309 284788250 /nfs/dbraw/zinc/78/82/50/284788250.db2.gz PNIMQKRYQBZPGB-OAHLLOKOSA-N 0 3 309.366 1.336 20 5 DDBDHN CO[C@H]1C[C@@H](N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000285244886 218349939 /nfs/dbraw/zinc/34/99/39/218349939.db2.gz CARKFRSAMJYRSB-RWMBFGLXSA-N 0 3 310.350 1.444 20 5 DDBDHN CC(C)(C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000063020555 184267361 /nfs/dbraw/zinc/26/73/61/184267361.db2.gz HRLWLYPHJNZISY-UHFFFAOYSA-N 0 3 307.759 1.264 20 5 DDBDHN COC[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000452102746 533136410 /nfs/dbraw/zinc/13/64/10/533136410.db2.gz LCHQKLZGTLFAJK-LBPRGKRZSA-N 0 3 321.377 1.942 20 5 DDBDHN CCC[C@@]1(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])CCOC1 ZINC000352828686 285325630 /nfs/dbraw/zinc/32/56/30/285325630.db2.gz YQLJQFOUYNYUQL-OAHLLOKOSA-N 0 3 307.350 1.743 20 5 DDBDHN C[C@H](CC[NH+](C)C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352879752 285356114 /nfs/dbraw/zinc/35/61/14/285356114.db2.gz GPVJHGILAJZNNH-SNVBAGLBSA-N 0 3 301.368 1.213 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@](C)(CO)C(C)C ZINC000352890364 285365315 /nfs/dbraw/zinc/36/53/15/285365315.db2.gz CTWSXXSBCCUFHZ-HNNXBMFYSA-N 0 3 309.366 1.838 20 5 DDBDHN C[NH2+]CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036298071 406978021 /nfs/dbraw/zinc/97/80/21/406978021.db2.gz MUDMPFZCYJITAK-UHFFFAOYSA-N 0 3 307.759 1.136 20 5 DDBDHN CCN(CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000075632368 406938611 /nfs/dbraw/zinc/93/86/11/406938611.db2.gz ULFPDHDVWKLHJQ-UHFFFAOYSA-N 0 3 315.395 1.523 20 5 DDBDHN COc1cc(C[NH2+]C[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1[O-] ZINC000077465185 406991991 /nfs/dbraw/zinc/99/19/91/406991991.db2.gz RYFMMCVEFGZSMV-GXFFZTMASA-N 0 3 310.350 1.950 20 5 DDBDHN CN(C)CCn1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000102435843 407322846 /nfs/dbraw/zinc/32/28/46/407322846.db2.gz VXIHJHCGQWDMLX-UHFFFAOYSA-N 0 3 318.337 1.997 20 5 DDBDHN C[C@@H](NC(=O)NC[C@@](C)(O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000122613147 407306116 /nfs/dbraw/zinc/30/61/16/407306116.db2.gz DRIIMBLPBCGFDU-IAQYHMDHSA-N 0 3 324.381 1.268 20 5 DDBDHN C[C@@H]1CC[C@@H](C(N)=O)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000103284075 407335781 /nfs/dbraw/zinc/33/57/81/407335781.db2.gz ILKCSPUSYCBXHT-VXGBXAGGSA-N 0 3 307.350 1.559 20 5 DDBDHN CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000125636668 407394282 /nfs/dbraw/zinc/39/42/82/407394282.db2.gz AHDPXVWDWSREPR-NSHDSACASA-N 0 3 314.345 1.825 20 5 DDBDHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000113225732 407478343 /nfs/dbraw/zinc/47/83/43/407478343.db2.gz ZJLFGGFCYWXNAQ-NWDGAFQWSA-N 0 3 321.381 1.222 20 5 DDBDHN CCc1n[n-]c(C(=O)NCCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000266608774 407577620 /nfs/dbraw/zinc/57/76/20/407577620.db2.gz VRUVQVMHBMKPBC-UHFFFAOYSA-N 0 3 320.353 1.595 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@@H]1CCCN(C)C1 ZINC000151962193 407533480 /nfs/dbraw/zinc/53/34/80/407533480.db2.gz PZIKDKLHIZQRIB-GFCCVEGCSA-N 0 3 320.393 1.732 20 5 DDBDHN CN1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000266744935 407620966 /nfs/dbraw/zinc/62/09/66/407620966.db2.gz FWIIPMGVMPSAAU-UHFFFAOYSA-N 0 3 306.366 1.484 20 5 DDBDHN CC(C)[C@@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000261940296 407680954 /nfs/dbraw/zinc/68/09/54/407680954.db2.gz LHEUECODKFWLKK-CQSZACIVSA-N 0 3 306.366 1.227 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000115443610 407682175 /nfs/dbraw/zinc/68/21/75/407682175.db2.gz PPMAYMYLUVEZFZ-GFCCVEGCSA-N 0 3 306.366 1.712 20 5 DDBDHN CN(C)[C@@]1(CNC(=O)c2csc([N+](=O)[O-])c2)CCSC1 ZINC000267054926 407730019 /nfs/dbraw/zinc/73/00/19/407730019.db2.gz ANXAOBMESCJWPM-GFCCVEGCSA-N 0 3 315.420 1.823 20 5 DDBDHN CN(C)[C@@]1(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CCSC1 ZINC000267055022 407730933 /nfs/dbraw/zinc/73/09/33/407730933.db2.gz FVDPNTOWKJOTKM-CQSZACIVSA-N 0 3 324.406 1.543 20 5 DDBDHN CN(C)CCN(C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000267060587 407733660 /nfs/dbraw/zinc/73/36/60/407733660.db2.gz BMUODZFAXBNRAU-UHFFFAOYSA-N 0 3 304.350 1.570 20 5 DDBDHN CCN(C)CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000117259848 407817769 /nfs/dbraw/zinc/81/77/69/407817769.db2.gz VOCBFXJQZAAZSS-UHFFFAOYSA-N 0 3 318.333 1.118 20 5 DDBDHN O=C(C[C@@H]1CSCCN1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000238047880 407878025 /nfs/dbraw/zinc/87/80/25/407878025.db2.gz JNGDGIRQPMXMBP-CYBMUJFWSA-N 0 3 321.402 1.575 20 5 DDBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000245715110 408050678 /nfs/dbraw/zinc/05/06/78/408050678.db2.gz NXDVFILTVWYRNR-ZYHUDNBSSA-N 0 3 306.366 1.636 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272577424 407992441 /nfs/dbraw/zinc/99/24/41/407992441.db2.gz GJQORMICQLVFOZ-IUODEOHRSA-N 0 3 319.361 1.526 20 5 DDBDHN CC1(C)CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000175388572 408119143 /nfs/dbraw/zinc/11/91/43/408119143.db2.gz UJXFYPWMDTUYMK-UHFFFAOYSA-N 0 3 309.391 1.897 20 5 DDBDHN CN(C)[C@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000263961456 408327662 /nfs/dbraw/zinc/32/76/62/408327662.db2.gz AKPIKZDHQNECBE-NSHDSACASA-N 0 3 302.334 1.852 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269432741 408307606 /nfs/dbraw/zinc/30/76/06/408307606.db2.gz CIWNUFWVEGQKAL-GXSJLCMTSA-N 0 3 321.381 1.654 20 5 DDBDHN COc1ccc(C(=O)N2CCC[C@@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000263909277 408308516 /nfs/dbraw/zinc/30/85/16/408308516.db2.gz IYHNGKPUPVMERG-GFCCVEGCSA-N 0 3 307.350 1.770 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC(OC[C@H]3CCOC3)CC2)n1 ZINC000131991388 162028879 /nfs/dbraw/zinc/02/88/79/162028879.db2.gz VPMSJHQQCLYSSF-ZDUSSCGKSA-N 0 3 324.381 1.309 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000134916911 162089991 /nfs/dbraw/zinc/08/99/91/162089991.db2.gz KSAGSJCWHRTRND-CJNGLKHVSA-N 0 3 319.409 1.740 20 5 DDBDHN Nc1c(C(=O)N2CC[C@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000176398733 408357894 /nfs/dbraw/zinc/35/78/94/408357894.db2.gz DGQWLLXQZUVTDB-NSHDSACASA-N 0 3 304.350 1.487 20 5 DDBDHN CN(C)CCOc1cc(CNc2ncc([N+](=O)[O-])s2)ccn1 ZINC000192515994 408602777 /nfs/dbraw/zinc/60/27/77/408602777.db2.gz IDVNUYSFCDMTOY-UHFFFAOYSA-N 0 3 323.378 1.999 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177198719 408549731 /nfs/dbraw/zinc/54/97/31/408549731.db2.gz SKEKEJPYNHMTPE-RYUDHWBXSA-N 0 3 319.361 1.715 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000270518186 408559983 /nfs/dbraw/zinc/55/99/83/408559983.db2.gz SHGLMNZYYQTNOH-CHWSQXEVSA-N 0 3 309.391 1.712 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(CCO)C1CCC1 ZINC000275920617 408720017 /nfs/dbraw/zinc/72/00/17/408720017.db2.gz ZHBWHZMZGCSSFV-ZDUSSCGKSA-N 0 3 310.350 1.181 20 5 DDBDHN COc1ccc(OCCN(CCO)C2CCC2)c([N+](=O)[O-])c1 ZINC000275819345 408687603 /nfs/dbraw/zinc/68/76/03/408687603.db2.gz JGKVYBSIMWXLSG-UHFFFAOYSA-N 0 3 310.350 1.829 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCC[C@H]1C(N)=O ZINC000184833225 408700017 /nfs/dbraw/zinc/70/00/17/408700017.db2.gz RANQVERJNIIPIK-CHWSQXEVSA-N 0 3 307.350 1.737 20 5 DDBDHN COC(=O)c1cc(NC(=O)/C=C/CN(C)C)cc([N+](=O)[O-])c1 ZINC000265694672 408749787 /nfs/dbraw/zinc/74/97/87/408749787.db2.gz ONTIRSXHFHSCGM-SNAWJCMRSA-N 0 3 307.306 1.438 20 5 DDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N(C)Cc1ccccc1 ZINC000285845344 408875469 /nfs/dbraw/zinc/87/54/69/408875469.db2.gz HUEHMKNQMVPUBP-NSHDSACASA-N 0 3 317.349 1.568 20 5 DDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000287309702 409017334 /nfs/dbraw/zinc/01/73/34/409017334.db2.gz UQXVOSVOEOHPIQ-FZMZJTMJSA-N 0 3 318.377 1.876 20 5 DDBDHN CN(C)CCn1nccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000294246925 409265798 /nfs/dbraw/zinc/26/57/98/409265798.db2.gz XTIYXEBJZFOJEO-UHFFFAOYSA-N 0 3 303.322 1.605 20 5 DDBDHN COC[C@]1(C(=O)OC)CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000296094260 409426782 /nfs/dbraw/zinc/42/67/82/409426782.db2.gz DEEQKEVEFOYANT-INIZCTEOSA-N 0 3 322.361 1.649 20 5 DDBDHN CC1CCN(C[C@@H](O)CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000303981669 409554151 /nfs/dbraw/zinc/55/41/51/409554151.db2.gz GAOBLSSNNSOKOZ-HNNXBMFYSA-N 0 3 321.377 1.417 20 5 DDBDHN C[C@@H]1[C@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1C ZINC000357041242 409809765 /nfs/dbraw/zinc/80/97/65/409809765.db2.gz QMAHKHJNKVKHEN-MNOVXSKESA-N 0 3 306.366 1.218 20 5 DDBDHN CCC[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CCN1CCOC ZINC000346650304 410058968 /nfs/dbraw/zinc/05/89/68/410058968.db2.gz GLWCVTISFIXVIT-CQSZACIVSA-N 0 3 308.382 1.927 20 5 DDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000346724331 410114242 /nfs/dbraw/zinc/11/42/42/410114242.db2.gz WVXJNDRSAOZBEB-NSHDSACASA-N 0 3 311.338 1.371 20 5 DDBDHN CCCN1CCC[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000343568386 410539188 /nfs/dbraw/zinc/53/91/88/410539188.db2.gz KRGJYNYPXXAZLV-LLVKDONJSA-N 0 3 306.366 1.781 20 5 DDBDHN CCCN1CCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000343580958 410549890 /nfs/dbraw/zinc/54/98/90/410549890.db2.gz XYYLRHIMFQBWQE-LLVKDONJSA-N 0 3 324.356 1.920 20 5 DDBDHN CN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CCN(C2CC2)C1 ZINC000355875730 410713267 /nfs/dbraw/zinc/71/32/67/410713267.db2.gz CVXUDNPZHOULKZ-NSHDSACASA-N 0 3 304.350 1.486 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCCN1C ZINC000355924338 410736834 /nfs/dbraw/zinc/73/68/34/410736834.db2.gz ZBDOFTHHXBSYOZ-CABZTGNLSA-N 0 3 317.349 1.684 20 5 DDBDHN CCN1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301234098 410681780 /nfs/dbraw/zinc/68/17/80/410681780.db2.gz GUXYDRWVNZPVHD-JTQLQIEISA-N 0 3 307.354 1.375 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000343914969 410804970 /nfs/dbraw/zinc/80/49/70/410804970.db2.gz WJUIARQZKPMYLV-DOMZBBRYSA-N 0 3 320.393 1.919 20 5 DDBDHN C[C@@H]1C[C@@H](CO)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000344117210 410966153 /nfs/dbraw/zinc/96/61/53/410966153.db2.gz BLLUILYXXDOUDF-VNHYZAJKSA-N 0 3 324.377 1.427 20 5 DDBDHN COc1cccc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000331430495 411087464 /nfs/dbraw/zinc/08/74/64/411087464.db2.gz CDGQKCSYECETFG-GWCFXTLKSA-N 0 3 319.361 1.816 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C[C@@H]21 ZINC000374821231 418565314 /nfs/dbraw/zinc/56/53/14/418565314.db2.gz DYRXLKABHMWOTP-XPTSAGLGSA-N 0 3 322.340 1.482 20 5 DDBDHN Cn1nccc1CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000374775627 418561266 /nfs/dbraw/zinc/56/12/66/418561266.db2.gz KCMZCFMCZZMXEI-UHFFFAOYSA-N 0 3 304.354 1.404 20 5 DDBDHN Cc1cc(S(=O)(=O)NCCN(C)C(C)C)ccc1[N+](=O)[O-] ZINC000188141579 222007861 /nfs/dbraw/zinc/00/78/61/222007861.db2.gz AITCLWNFZYWQIH-UHFFFAOYSA-N 0 3 315.395 1.522 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000375025229 418589780 /nfs/dbraw/zinc/58/97/80/418589780.db2.gz YNFVPYGAQJSDTH-ZFWWWQNUSA-N 0 3 318.377 1.830 20 5 DDBDHN CN1CC[C@H]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375031285 418592392 /nfs/dbraw/zinc/59/23/92/418592392.db2.gz NPCGQTGCLAWNHP-SWLSCSKDSA-N 0 3 318.377 1.559 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000367461501 418601603 /nfs/dbraw/zinc/60/16/03/418601603.db2.gz AGFZYXPUTXMSJT-XJKSGUPXSA-N 0 3 319.361 1.750 20 5 DDBDHN C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000381423076 418729343 /nfs/dbraw/zinc/72/93/43/418729343.db2.gz AXZWTPMDMQYXBR-NKWVEPMBSA-N 0 3 307.759 1.262 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000371544169 418799557 /nfs/dbraw/zinc/79/95/57/418799557.db2.gz DPLVYQAWWQXUDN-HIFRSBDPSA-N 0 3 303.362 1.690 20 5 DDBDHN COC(=O)[C@H]1CN(C)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000411902312 419459402 /nfs/dbraw/zinc/45/94/02/419459402.db2.gz HWZDNIBMBYZMPH-ZDUSSCGKSA-N 0 3 307.350 1.131 20 5 DDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCc3nnnn3CC2)c(Cl)c1 ZINC000421393848 419596080 /nfs/dbraw/zinc/59/60/80/419596080.db2.gz FEEOCXSAEDCMCB-JTQLQIEISA-N 0 3 322.756 1.729 20 5 DDBDHN COC(=O)[C@@]1(C)CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000412065337 419613648 /nfs/dbraw/zinc/61/36/48/419613648.db2.gz KRBCHJIJZFHECA-HNNXBMFYSA-N 0 3 323.349 1.032 20 5 DDBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H]3CNCCO3)o2)c1 ZINC000415095711 419940997 /nfs/dbraw/zinc/94/09/97/419940997.db2.gz NTDHKMWCJDVLEJ-OAHLLOKOSA-N 0 3 317.345 1.933 20 5 DDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)COC1CNC1 ZINC000430287756 420103129 /nfs/dbraw/zinc/10/31/29/420103129.db2.gz GFIWCRPXNMWEDA-UHFFFAOYSA-N 0 3 307.350 1.320 20 5 DDBDHN O=C(C[C@@H]1CNCCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423720905 420140963 /nfs/dbraw/zinc/14/09/63/420140963.db2.gz IBPJOKSPLIPDPP-OAHLLOKOSA-N 0 3 319.361 1.464 20 5 DDBDHN COc1cc(C(=O)NCC2(N(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000416294177 420310001 /nfs/dbraw/zinc/31/00/01/420310001.db2.gz XRAWTJBTSQPRCU-UHFFFAOYSA-N 0 3 323.349 1.436 20 5 DDBDHN CS[C@@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000420598117 420326406 /nfs/dbraw/zinc/32/64/06/420326406.db2.gz BOWADWBAMBMFQR-NWDGAFQWSA-N 0 3 324.406 1.176 20 5 DDBDHN CCN1CCN(CC(C)(C)Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000450920814 420562030 /nfs/dbraw/zinc/56/20/30/420562030.db2.gz BDUHJCGZBGGUOI-UHFFFAOYSA-N 0 3 307.398 1.818 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(C(N)=O)nc1 ZINC000449194369 420967693 /nfs/dbraw/zinc/96/76/93/420967693.db2.gz XTKIQQNTZJUYDF-LLVKDONJSA-N 0 3 314.345 1.810 20 5 DDBDHN Cc1sc(C(=O)N[C@@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000449667475 421054990 /nfs/dbraw/zinc/05/49/90/421054990.db2.gz UWTGWICQFLFUCJ-SECBINFHSA-N 0 3 305.306 1.692 20 5 DDBDHN COc1ccc(CNC[C@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000449390792 421004581 /nfs/dbraw/zinc/00/45/81/421004581.db2.gz WVPKZKXSNPGFHO-CQSZACIVSA-N 0 3 323.393 1.540 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000449539488 421023238 /nfs/dbraw/zinc/02/32/38/421023238.db2.gz WACIFKDMKGMLBY-OKILXGFUSA-N 0 3 307.394 1.790 20 5 DDBDHN CC(COC(=O)[C@@H](C)NC(=O)OCc1ccccc1)[N+](=O)[O-] ZINC000495904100 421088951 /nfs/dbraw/zinc/08/89/51/421088951.db2.gz NWYJQRLCSHGKRI-GHMZBOCLSA-N 0 3 310.306 1.510 20 5 DDBDHN Cc1cc(F)ccc1CN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000488014530 421064175 /nfs/dbraw/zinc/06/41/75/421064175.db2.gz ZBEDDJMRCWEWRA-OAHLLOKOSA-N 0 3 322.340 1.732 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CCCCN2CCO)n1 ZINC000450609719 421217681 /nfs/dbraw/zinc/21/76/81/421217681.db2.gz FZSZMAYFWBSXJI-ZDUSSCGKSA-N 0 3 308.382 1.865 20 5 DDBDHN CN1CC[C@@]2(CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000562351222 421355488 /nfs/dbraw/zinc/35/54/88/421355488.db2.gz SBNFYAHJSSFMEV-MRXNPFEDSA-N 0 3 318.377 1.832 20 5 DDBDHN COc1cc(C[NH2+]C[C@H](C)Cn2cccn2)c([N+](=O)[O-])cc1[O-] ZINC000548912132 421485128 /nfs/dbraw/zinc/48/51/28/421485128.db2.gz DWGSAFVSVXESED-NSHDSACASA-N 0 3 320.349 1.931 20 5 DDBDHN CO[C@@H](C)[C@@H](C)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000564092646 421569457 /nfs/dbraw/zinc/56/94/57/421569457.db2.gz DUVLAODOPVRKNJ-SUNKGSAMSA-N 0 3 307.350 1.713 20 5 DDBDHN CN(C)CC(C)(C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000572121086 421764863 /nfs/dbraw/zinc/76/48/63/421764863.db2.gz FMGIYBLKKNYABN-UHFFFAOYSA-N 0 3 309.322 1.394 20 5 DDBDHN C[C@H]1CCN(CC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000557418464 421770308 /nfs/dbraw/zinc/77/03/08/421770308.db2.gz CSFQOPXABYETIL-LBPRGKRZSA-N 0 3 306.366 1.465 20 5 DDBDHN CN(C)CCN(Cc1c([N+](=O)[O-])ncn1C)Cc1ccccn1 ZINC000572778303 421858682 /nfs/dbraw/zinc/85/86/82/421858682.db2.gz DOHIALJPXFYIKV-UHFFFAOYSA-N 0 3 318.381 1.287 20 5 DDBDHN CCc1ccc(C(=O)Nc2nn(C)c(C)c2CN)cc1[N+](=O)[O-] ZINC000595959045 422359964 /nfs/dbraw/zinc/35/99/64/422359964.db2.gz LUMZSSZKYXJOQA-UHFFFAOYSA-N 0 3 317.349 1.910 20 5 DDBDHN CN(C)[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1cccs1 ZINC000590568665 422321193 /nfs/dbraw/zinc/32/11/93/422321193.db2.gz KGWAGBJMZJVXHY-JTQLQIEISA-N 0 3 307.379 2.348 20 5 DDBDHN CC[NH2+]CCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000036299359 263253904 /nfs/dbraw/zinc/25/39/04/263253904.db2.gz WRCGZSXVTFORJJ-UHFFFAOYSA-N 0 3 301.368 1.181 20 5 DDBDHN COC1(C)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000342127775 271308621 /nfs/dbraw/zinc/30/86/21/271308621.db2.gz AKROPIOVPPFCNS-AWEZNQCLSA-N 0 3 324.377 1.835 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CCCN1C ZINC000345328975 272220876 /nfs/dbraw/zinc/22/08/76/272220876.db2.gz VEJKXJXFHXAEQJ-RYUDHWBXSA-N 0 3 306.366 1.606 20 5 DDBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000345938385 272370512 /nfs/dbraw/zinc/37/05/12/272370512.db2.gz WMMSORNREDMMFW-CHWSQXEVSA-N 0 3 320.393 1.996 20 5 DDBDHN Cc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c(CN(C)C)c1 ZINC000346788100 272546767 /nfs/dbraw/zinc/54/67/67/272546767.db2.gz NRTJHUWGNXCIMQ-UHFFFAOYSA-N 0 3 318.337 1.195 20 5 DDBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@H]1N1CCCC1 ZINC000275831711 274187576 /nfs/dbraw/zinc/18/75/76/274187576.db2.gz OFRMZEQPXRNZIC-NEPJUHHUSA-N 0 3 309.395 1.401 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N[C@@H](C)C2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000272732963 276041346 /nfs/dbraw/zinc/04/13/46/276041346.db2.gz BYTNESJMNKSLBU-JTQLQIEISA-N 0 3 321.381 1.822 20 5 DDBDHN CN1CCN(C)[C@H](CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000278851866 277103447 /nfs/dbraw/zinc/10/34/47/277103447.db2.gz VPMDHOSDTOTRMH-WBVHZDCISA-N 0 3 318.421 1.808 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)CN1CCCCC1 ZINC000126192736 281229969 /nfs/dbraw/zinc/22/99/69/281229969.db2.gz IDYBZAXHVDHXGW-GFCCVEGCSA-N 0 3 323.397 1.480 20 5 DDBDHN CN(C)C1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000275537326 289058730 /nfs/dbraw/zinc/05/87/30/289058730.db2.gz YPSMHVMMOLASJS-UHFFFAOYSA-N 0 3 313.379 1.357 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000171030274 293607987 /nfs/dbraw/zinc/60/79/87/293607987.db2.gz ZENJJWSUNHJMIY-CYBMUJFWSA-N 0 3 318.377 1.999 20 5 DDBDHN CCCN1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357323087 299007711 /nfs/dbraw/zinc/00/77/11/299007711.db2.gz FABKJOVLPQLVEQ-UHFFFAOYSA-N 0 3 307.354 1.375 20 5 DDBDHN C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000357965273 299034818 /nfs/dbraw/zinc/03/48/18/299034818.db2.gz QTTVCIBXTITYGH-WDEREUQCSA-N 0 3 309.370 1.321 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000368596589 301061564 /nfs/dbraw/zinc/06/15/64/301061564.db2.gz VMBVMCJIFIDKHT-HZMBPMFUSA-N 0 3 304.350 1.343 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1N1CCCN(CC(C)(C)O)CC1 ZINC000370421895 301335582 /nfs/dbraw/zinc/33/55/82/301335582.db2.gz PVFROLWNQOUUIQ-UHFFFAOYSA-N 0 3 308.382 1.581 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](CCO)C(C)C ZINC000355061428 306792614 /nfs/dbraw/zinc/79/26/14/306792614.db2.gz VMYUIZYQAKKPCT-GFCCVEGCSA-N 0 3 309.366 1.838 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C(C)(C)CCC[NH3+] ZINC000313838979 302046935 /nfs/dbraw/zinc/04/69/35/302046935.db2.gz AFZOLFPLPPUFJR-UHFFFAOYSA-N 0 3 315.395 1.699 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCC[NH2+]CC1 ZINC000226461620 302048875 /nfs/dbraw/zinc/04/88/75/302048875.db2.gz HEJIPMJRZHKHKZ-LLVKDONJSA-N 0 3 313.379 1.324 20 5 DDBDHN CCN1CCC(N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357297349 306874691 /nfs/dbraw/zinc/87/46/91/306874691.db2.gz GPIXYXUIRACVON-UHFFFAOYSA-N 0 3 307.354 1.009 20 5 DDBDHN CN(C)Cc1ccccc1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000560378964 303809702 /nfs/dbraw/zinc/80/97/02/303809702.db2.gz BRIARGZYWHAFBK-UHFFFAOYSA-N 0 3 303.322 1.642 20 5 DDBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)COC2CCOCC2)c1 ZINC000562985680 303906315 /nfs/dbraw/zinc/90/63/15/303906315.db2.gz KDRQOFYLIBIMRW-AWEZNQCLSA-N 0 3 310.350 1.241 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000071397265 304804482 /nfs/dbraw/zinc/80/44/82/304804482.db2.gz VHOZPXHHIRVGHD-QMMMGPOBSA-N 0 3 319.770 1.279 20 5 DDBDHN CC(C)CN1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000367549474 307097086 /nfs/dbraw/zinc/09/70/86/307097086.db2.gz KLNFEUZAKCWXDK-UHFFFAOYSA-N 0 3 309.370 1.132 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C3CCCC3)C2)n1 ZINC000373164191 307180688 /nfs/dbraw/zinc/18/06/88/307180688.db2.gz DBUGOYITADFACY-JTQLQIEISA-N 0 3 307.354 1.075 20 5 DDBDHN N=C(NO)[C@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000376084793 307237915 /nfs/dbraw/zinc/23/79/15/307237915.db2.gz QUGKJQIRZWOVHN-CYBMUJFWSA-N 0 3 308.338 1.784 20 5 DDBDHN C[C@@H]1[C@@H](CO)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000488728934 484215333 /nfs/dbraw/zinc/21/53/33/484215333.db2.gz IVLIYSNHWQLVRT-YRGRVCCFSA-N 0 3 310.350 1.037 20 5 DDBDHN CCN1CCC(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000361591119 484521212 /nfs/dbraw/zinc/52/12/12/484521212.db2.gz LODVMENWUNZBOZ-UHFFFAOYSA-N 0 3 320.393 1.632 20 5 DDBDHN COC(=O)c1ccc(OC[C@H](O)CN(C)C2CC2)cc1[N+](=O)[O-] ZINC000589583754 490359305 /nfs/dbraw/zinc/35/93/05/490359305.db2.gz UMPARBKBZQQRTN-LLVKDONJSA-N 0 3 324.333 1.215 20 5 DDBDHN CC1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000175990257 500582727 /nfs/dbraw/zinc/58/27/27/500582727.db2.gz PYQRQAXNLYAQBB-UHFFFAOYSA-N 0 3 306.366 1.639 20 5 DDBDHN COC(=O)Cc1ccc(NC[C@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000295641930 533764141 /nfs/dbraw/zinc/76/41/41/533764141.db2.gz YNCGQDDXNPYBKN-GFCCVEGCSA-N 0 3 307.350 1.816 20 5 DDBDHN COC(=O)Cc1ccc(NC2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000296662624 533761320 /nfs/dbraw/zinc/76/13/20/533761320.db2.gz YPIWWAIRRMQXCT-UHFFFAOYSA-N 0 3 307.350 1.816 20 5 DDBDHN NC(=O)[C@H]1CCCN(CCCNc2sccc2[N+](=O)[O-])C1 ZINC000302005399 534449801 /nfs/dbraw/zinc/44/98/01/534449801.db2.gz UONNHDRLQGKZFB-JTQLQIEISA-N 0 3 312.395 1.656 20 5 DDBDHN CC(C)(CCNCc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000414519014 527047939 /nfs/dbraw/zinc/04/79/39/527047939.db2.gz SYMCFERVSBTHSF-UHFFFAOYSA-N 0 3 300.380 1.898 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)NCCNc2ccncc2)c1[N+](=O)[O-] ZINC000433986292 527999676 /nfs/dbraw/zinc/99/96/76/527999676.db2.gz RUOQZWLXEAQTJF-UHFFFAOYSA-N 0 3 318.337 1.100 20 5 DDBDHN CC1(C)CCCN(CCNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000444943755 528933677 /nfs/dbraw/zinc/93/36/77/528933677.db2.gz PQERVJMTEJPNMO-UHFFFAOYSA-N 0 3 321.381 1.655 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNCCc1cnccn1)OCCO2 ZINC000774832167 697933143 /nfs/dbraw/zinc/93/31/43/697933143.db2.gz JQMKGLLZXYQDDZ-UHFFFAOYSA-N 0 3 316.317 1.488 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCN(C3CCC3)CC2)cc1 ZINC000776585037 698121972 /nfs/dbraw/zinc/12/19/72/698121972.db2.gz RMSGLNFQLXQLMP-INIZCTEOSA-N 0 3 305.378 1.798 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@@H](n3cncn3)C2)cc1 ZINC000776879247 698145188 /nfs/dbraw/zinc/14/51/88/698145188.db2.gz SKVWYKBZUYXXPZ-ZIAGYGMSSA-N 0 3 303.322 1.167 20 5 DDBDHN CCN(CC)CCS(=O)(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000786935776 699181090 /nfs/dbraw/zinc/18/10/90/699181090.db2.gz XPSJKTADWGBQAL-UHFFFAOYSA-N 0 3 302.352 1.645 20 5 DDBDHN CCS(=O)(=O)CCCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840889138 702272331 /nfs/dbraw/zinc/27/23/31/702272331.db2.gz OVXIRNQQDASSCC-JTQLQIEISA-N 0 3 315.395 1.652 20 5 DDBDHN CCC(CC)[C@@H](C(=O)OCC(C)[N+](=O)[O-])N1CCOCC1 ZINC000813103789 702292131 /nfs/dbraw/zinc/29/21/31/702292131.db2.gz TZTHIKATGJGSNG-YPMHNXCESA-N 0 3 302.371 1.332 20 5 DDBDHN COc1cc(CC(=O)OCC(C)[N+](=O)[O-])cc(OC)c1OC ZINC000813103408 702292155 /nfs/dbraw/zinc/29/21/55/702292155.db2.gz PXIBPGCGKUNVDJ-VIFPVBQESA-N 0 3 313.306 1.463 20 5 DDBDHN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813106584 702293241 /nfs/dbraw/zinc/29/32/41/702293241.db2.gz FLUZKWBYJRYVSZ-SSDOTTSWSA-N 0 3 322.321 1.042 20 5 DDBDHN CCn1c2ccccc2n(CC(=O)OCC(C)[N+](=O)[O-])c1=O ZINC000813107757 702294081 /nfs/dbraw/zinc/29/40/81/702294081.db2.gz VUPUHZXKKQDLJT-JTQLQIEISA-N 0 3 307.306 1.031 20 5 DDBDHN CC(COC(=O)CN1c2ccccc2O[C@@H](C)C1=O)[N+](=O)[O-] ZINC000813113628 702298386 /nfs/dbraw/zinc/29/83/86/702298386.db2.gz HEFBROYRXDZWRH-ZJUUUORDSA-N 0 3 308.290 1.009 20 5 DDBDHN O=[N+]([O-])c1ccccc1Cc1noc(C[C@H]2CSCCN2)n1 ZINC000843170839 702832578 /nfs/dbraw/zinc/83/25/78/702832578.db2.gz KDUMKMJPCPJJOG-NSHDSACASA-N 0 3 320.374 1.816 20 5 DDBDHN C[C@@H](CO)C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000844417149 703028625 /nfs/dbraw/zinc/02/86/25/703028625.db2.gz SGDAPMVSDOECJN-LRDDRELGSA-N 0 3 308.378 1.969 20 5 DDBDHN C[C@@H](CN1CCCC1)OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000845663077 703187862 /nfs/dbraw/zinc/18/78/62/703187862.db2.gz LCHKSGRANILXFO-JTQLQIEISA-N 0 3 322.317 1.965 20 5 DDBDHN C[C@@H](C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000848580810 703565046 /nfs/dbraw/zinc/56/50/46/703565046.db2.gz FKCLTRLOWVOULG-VIFPVBQESA-N 0 3 317.292 1.633 20 5 DDBDHN COC[C@H](OC)C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000851108023 703780921 /nfs/dbraw/zinc/78/09/21/703780921.db2.gz HZEQXNNMUHQJAB-JIMOISOXSA-N 0 3 315.297 1.737 20 5 DDBDHN CC(C)(O)CN1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000869782403 703851737 /nfs/dbraw/zinc/85/17/37/703851737.db2.gz MEENGOYVSRRAKV-JTQLQIEISA-N 0 3 313.379 1.231 20 5 DDBDHN O=C1CC[C@@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000852495440 704062361 /nfs/dbraw/zinc/06/23/61/704062361.db2.gz KXFFXVZGFSMXHA-VHDGCEQUSA-N 0 3 319.361 1.229 20 5 DDBDHN O=C([N-][C@@H]1CCC[NH2+]C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857762971 704621538 /nfs/dbraw/zinc/62/15/38/704621538.db2.gz KBHVLSPUSUTFER-SECBINFHSA-N 0 3 315.276 1.435 20 5 DDBDHN [NH3+]C[C@@H]([N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000857766039 704622253 /nfs/dbraw/zinc/62/22/53/704622253.db2.gz XPYBXPMFBYFNML-LLVKDONJSA-N 0 3 315.276 1.420 20 5 DDBDHN CN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000825844530 705736424 /nfs/dbraw/zinc/73/64/24/705736424.db2.gz MCYCXIWNSHGNLL-HUUCEWRRSA-N 0 3 319.361 1.323 20 5 DDBDHN COc1cccc([N+](=O)[O-])c1N[C@H]1CCN(CC(C)(C)O)C1 ZINC000865998995 706589597 /nfs/dbraw/zinc/58/95/97/706589597.db2.gz VQSYFLNACKDAHG-NSHDSACASA-N 0 3 309.366 1.861 20 5 DDBDHN CS(=O)(=O)[C@H]1C[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000883376571 707987899 /nfs/dbraw/zinc/98/78/99/707987899.db2.gz OJNIWVZPVWFSFR-KWBADKCTSA-N 0 3 310.375 1.747 20 5 DDBDHN Cc1ccnc(N2CC[C@H]3[C@@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC000897222611 708259899 /nfs/dbraw/zinc/25/98/99/708259899.db2.gz WEXNUHHKLXNZFT-STQMWFEESA-N 0 3 306.366 1.334 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCN1C ZINC000928438646 713195844 /nfs/dbraw/zinc/19/58/44/713195844.db2.gz GVYAKOOSOLDLNT-GWCFXTLKSA-N 0 3 314.345 1.965 20 5 DDBDHN CNC(=O)c1ccc(N2CC[C@H]3CN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000893941491 710893879 /nfs/dbraw/zinc/89/38/79/710893879.db2.gz SDWBHYGDQJPRLP-SMDDNHRTSA-N 0 3 304.350 1.095 20 5 DDBDHN COc1ccc(CN[C@@H]2CCO[C@]23CCOC3)cc1[N+](=O)[O-] ZINC000903083667 711027089 /nfs/dbraw/zinc/02/70/89/711027089.db2.gz LLNXLEMFCPJCBS-CABCVRRESA-N 0 3 308.334 1.641 20 5 DDBDHN CN1CCC(N(CCO)C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000911933442 711074981 /nfs/dbraw/zinc/07/49/81/711074981.db2.gz JHYYKNLDZPAMQO-UHFFFAOYSA-N 0 3 307.350 1.124 20 5 DDBDHN COc1cc(N(C)CCN(C)CCO)c(Cl)cc1[N+](=O)[O-] ZINC000894590760 711198391 /nfs/dbraw/zinc/19/83/91/711198391.db2.gz LDPSRESKEDHXSS-UHFFFAOYSA-N 0 3 317.773 1.617 20 5 DDBDHN Cc1ccnc(NC[C@H]2CCN2C2CCOCC2)c1[N+](=O)[O-] ZINC000896517474 711736822 /nfs/dbraw/zinc/73/68/22/711736822.db2.gz GLBDMMNOEJRXKV-CYBMUJFWSA-N 0 3 306.366 1.963 20 5 DDBDHN C[C@H]1[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000921681052 713841122 /nfs/dbraw/zinc/84/11/22/713841122.db2.gz PPKIZLWIFJQNTH-SMDDNHRTSA-N 0 3 306.366 1.529 20 5 DDBDHN COc1ccc(NC(=O)N[C@@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000930770385 713916172 /nfs/dbraw/zinc/91/61/72/713916172.db2.gz WOJZUFSSDSCPJA-GXSJLCMTSA-N 0 3 308.338 1.818 20 5 DDBDHN C[C@](CO)(NC[C@@H]1C[C@@H]2COC[C@H]2O1)c1cccc([N+](=O)[O-])c1 ZINC000931471466 714105548 /nfs/dbraw/zinc/10/55/48/714105548.db2.gz RMQKSAPTBHZMMB-MSQAHXEGSA-N 0 3 322.361 1.196 20 5 DDBDHN CCOC(=O)[C@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000932644233 714373713 /nfs/dbraw/zinc/37/37/13/714373713.db2.gz HKPUXNHGSIEVEU-GXTWGEPZSA-N 0 3 308.334 1.513 20 5 DDBDHN CCN(CCO)CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935429749 715053142 /nfs/dbraw/zinc/05/31/42/715053142.db2.gz FJEUQCISPZCDKZ-GJZGRUSLSA-N 0 3 321.377 1.129 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cncc(F)c1 ZINC001125577476 734651773 /nfs/dbraw/zinc/65/17/73/734651773.db2.gz KFYFKDRBFVYLMS-UHFFFAOYSA-N 0 3 318.308 1.649 20 5 DDBDHN CC(C)(C)C(=O)C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001124977192 748742620 /nfs/dbraw/zinc/74/26/20/748742620.db2.gz XCBQQHOLJLBBDM-UHFFFAOYSA-N 0 3 307.350 1.416 20 5 DDBDHN CS(=O)(=O)c1ccccc1CN[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168986961 762179864 /nfs/dbraw/zinc/17/98/64/762179864.db2.gz GQVOZIIQFFGKSJ-DGCLKSJQSA-N 0 3 312.391 1.625 20 5 DDBDHN CCCN(C)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097203795 756973705 /nfs/dbraw/zinc/97/37/05/756973705.db2.gz XAYLIBCXLWURNG-OKILXGFUSA-N 0 3 320.393 1.996 20 5 DDBDHN O=[N+]([O-])c1ccn(C2CCN(CCO[C@@H]3CCOC3)CC2)n1 ZINC001119854886 758099593 /nfs/dbraw/zinc/09/95/93/758099593.db2.gz IVFGBWXIDWQWGH-CYBMUJFWSA-N 0 3 310.354 1.234 20 5 DDBDHN COCC(C)(C)CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001131726264 768294493 /nfs/dbraw/zinc/29/44/93/768294493.db2.gz YCDNVOAWBLRFPG-UHFFFAOYSA-N 0 3 323.393 1.863 20 5 DDBDHN COc1ccc(C[C@@H](C)N2C[C@@H]3C[C@H]2CN3C)c([N+](=O)[O-])c1 ZINC001170354415 766261664 /nfs/dbraw/zinc/26/16/64/766261664.db2.gz KWEOFSBBEJTLCJ-XBFCOCLRSA-N 0 3 305.378 1.923 20 5 DDBDHN O=C1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCN1 ZINC001172906400 776917061 /nfs/dbraw/zinc/91/70/61/776917061.db2.gz XQBSTTHIZSYPLK-CQSZACIVSA-N 0 3 303.362 1.664 20 5 DDBDHN Cc1cc(NCCN(C)C(=O)CN2CCCC2)ccc1[N+](=O)[O-] ZINC001101633248 777328575 /nfs/dbraw/zinc/32/85/75/777328575.db2.gz GNWVDCKZKBHGFG-UHFFFAOYSA-N 0 3 320.393 1.869 20 5 DDBDHN Cc1ccc(NCCN(C)C(=O)CN2CCCC2)c([N+](=O)[O-])c1 ZINC001101633349 777328941 /nfs/dbraw/zinc/32/89/41/777328941.db2.gz MNYHKDHJNMGIMV-UHFFFAOYSA-N 0 3 320.393 1.869 20 5 DDBDHN COc1cc(C[NH2+]CCC[C@H]2CCOC2=O)c([N+](=O)[O-])cc1[O-] ZINC001179511859 779403225 /nfs/dbraw/zinc/40/32/25/779403225.db2.gz HUVYCJWAGZTGFC-JTQLQIEISA-N 0 3 324.333 1.742 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)cnc1NCc1nnn2c1CNCCC2 ZINC001155389214 862028173 /nfs/dbraw/zinc/02/81/73/862028173.db2.gz DHGDRBCXEUHNNY-UHFFFAOYSA-N 0 3 323.744 1.340 20 5 DDBDHN CCn1cccc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001151190389 862668049 /nfs/dbraw/zinc/66/80/49/862668049.db2.gz MFNXTGUGOIZNHQ-UHFFFAOYSA-N 0 3 316.361 1.936 20 5 DDBDHN O=[N+]([O-])c1cc[n+]([O-])c(N2CCNC[C@@H]2c2cccs2)c1 ZINC001156089821 862714813 /nfs/dbraw/zinc/71/48/13/862714813.db2.gz TUSFMAQYXULKMT-LLVKDONJSA-N 0 3 306.347 1.441 20 5 DDBDHN COc1nc(N[C@H]2CCN(C3CCC3)C2)nc(OC)c1[N+](=O)[O-] ZINC001161177734 859979382 /nfs/dbraw/zinc/97/93/82/859979382.db2.gz SMGNFEVBFCHPOB-VIFPVBQESA-N 0 3 323.353 1.441 20 5 DDBDHN CCc1ncc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[nH]1 ZINC001156538430 863131082 /nfs/dbraw/zinc/13/10/82/863131082.db2.gz VBAZFFBYKLJFKD-UHFFFAOYSA-N 0 3 314.305 1.687 20 5 DDBDHN NCc1cnnn1-c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001158420768 864643843 /nfs/dbraw/zinc/64/38/43/864643843.db2.gz ZNBKNZVTJKLMGD-UHFFFAOYSA-N 0 3 305.685 1.231 20 5 DDBDHN C[C@@H](Nc1ncc([N+](=O)[O-])c2ccccc21)[C@H]1CNCCO1 ZINC001159497978 865349903 /nfs/dbraw/zinc/34/99/03/865349903.db2.gz PWVLVIOKFAXAHW-QMTHXVAHSA-N 0 3 302.334 1.932 20 5 DDBDHN CN(C)CCCS(=O)(=O)Oc1cc(C=O)ccc1[N+](=O)[O-] ZINC001309115041 871550865 /nfs/dbraw/zinc/55/08/65/871550865.db2.gz LGZWSFXRWROXEB-UHFFFAOYSA-N 0 3 316.335 1.068 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@H](C)C1 ZINC001318812831 872284588 /nfs/dbraw/zinc/28/45/88/872284588.db2.gz GKXFWXGWZHEBPG-NSHDSACASA-N 0 3 306.366 1.708 20 5 DDBDHN C[C@@H](CNC(=O)[C@H](N)CC(F)F)c1ccccc1[N+](=O)[O-] ZINC001358389397 880418606 /nfs/dbraw/zinc/41/86/06/880418606.db2.gz VSLFPWPKQLSJPU-WCBMZHEXSA-N 0 3 301.293 1.797 20 5 DDBDHN COC(=O)[C@H](O[C@@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC001223644520 881039229 /nfs/dbraw/zinc/03/92/29/881039229.db2.gz VHJWCLKWPXEDKR-BXUZGUMPSA-N 0 3 308.334 1.920 20 5 DDBDHN COc1cccc(COCCN2CC[C@@H](OC)C2)c1[N+](=O)[O-] ZINC001223811884 881107027 /nfs/dbraw/zinc/10/70/27/881107027.db2.gz XDYPEMPDTQQWKD-CYBMUJFWSA-N 0 3 310.350 1.841 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1nncc2n[nH]cc21 ZINC001230900241 885027148 /nfs/dbraw/zinc/02/71/48/885027148.db2.gz FYBTYPYSOCGVKM-SSDOTTSWSA-N 0 3 303.282 1.234 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1COCCC12OCCO2 ZINC001254538370 896494507 /nfs/dbraw/zinc/49/45/07/896494507.db2.gz TVXZEBGMOIIWEF-WFASDCNBSA-N 0 3 322.361 1.647 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1cn3cccnc3n1)C2 ZINC001254566092 896506077 /nfs/dbraw/zinc/50/60/77/896506077.db2.gz HQGPYPUNJLRDKD-CYBMUJFWSA-N 0 3 309.329 1.895 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NC1CN(c3ncccn3)C1)C2 ZINC001254578094 896510686 /nfs/dbraw/zinc/51/06/86/896510686.db2.gz JCMZPEVPFHHIGA-ZDUSSCGKSA-N 0 3 311.345 1.330 20 5 DDBDHN COC(=O)C1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254594794 896520769 /nfs/dbraw/zinc/52/07/69/896520769.db2.gz STPYTKVZHUHUTA-HNNXBMFYSA-N 0 3 304.346 1.947 20 5 DDBDHN CNC(=O)NC1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254611967 896533556 /nfs/dbraw/zinc/53/35/56/896533556.db2.gz UEIFZJUNIPUFNW-HNNXBMFYSA-N 0 3 318.377 1.455 20 5 DDBDHN Cc1c(C(=O)NC[C@@H]2CCCN2CCCO)cccc1[N+](=O)[O-] ZINC000452353503 231358224 /nfs/dbraw/zinc/35/82/24/231358224.db2.gz UPSHHOQMHJLESM-ZDUSSCGKSA-N 0 3 321.377 1.480 20 5 DDBDHN CC(C)(C)CN(CCCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090529636 185300728 /nfs/dbraw/zinc/30/07/28/185300728.db2.gz RESPYIPAROTNFD-UHFFFAOYSA-N 0 3 311.382 1.487 20 5 DDBDHN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCN2CCC[C@H]2C1 ZINC000255640748 282271774 /nfs/dbraw/zinc/27/17/74/282271774.db2.gz TYDHVVOLCGIPTR-XHPSBEMXSA-N 0 3 301.346 1.915 20 5 DDBDHN CN(CCN1CCCC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444636963 529908322 /nfs/dbraw/zinc/90/83/22/529908322.db2.gz FIUKXZIMGBRIJY-UHFFFAOYSA-N 0 3 303.366 1.999 20 5 DDBDHN CN(C)[C@]1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CCSC1 ZINC000272655674 282318092 /nfs/dbraw/zinc/31/80/92/282318092.db2.gz NTIFXEMOFJXATK-AWEZNQCLSA-N 0 3 324.406 1.344 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](O)CC1 ZINC000293025984 282361312 /nfs/dbraw/zinc/36/13/12/282361312.db2.gz FVSVUIIQRSXRBT-STQMWFEESA-N 0 3 310.350 1.181 20 5 DDBDHN CN(C)CCN(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000080389650 192154970 /nfs/dbraw/zinc/15/49/70/192154970.db2.gz WWHSFXKCWISMDN-UHFFFAOYSA-N 0 3 306.366 1.803 20 5 DDBDHN CN(C)CCN(C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000080398893 192154990 /nfs/dbraw/zinc/15/49/90/192154990.db2.gz UXGZLJXCLAFAFH-UHFFFAOYSA-N 0 3 318.333 1.070 20 5 DDBDHN CS(=O)(=O)C1(CNC/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000279895100 215215912 /nfs/dbraw/zinc/21/59/12/215215912.db2.gz VNEKCVNJTJSPPE-GQCTYLIASA-N 0 3 310.375 1.775 20 5 DDBDHN CNc1ccc(C(=O)NCCCN(C)CCOC)cc1[N+](=O)[O-] ZINC000041423271 352307255 /nfs/dbraw/zinc/30/72/55/352307255.db2.gz YSBJFTLKGRNYRH-UHFFFAOYSA-N 0 3 324.381 1.335 20 5 DDBDHN CCNC(=O)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665094 191211479 /nfs/dbraw/zinc/21/14/79/191211479.db2.gz CCOAJPLKMIWBFW-NSHDSACASA-N 0 3 307.354 1.002 20 5 DDBDHN O=C(CN1CCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000052867558 352629987 /nfs/dbraw/zinc/62/99/87/352629987.db2.gz MFDDQKIEHULQRY-UHFFFAOYSA-N 0 3 318.377 1.339 20 5 DDBDHN CCOC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000060485099 352874275 /nfs/dbraw/zinc/87/42/75/352874275.db2.gz SUSLXDOOOGGBIJ-CQSZACIVSA-N 0 3 324.377 1.835 20 5 DDBDHN CCCC(=O)NC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174841116 198392492 /nfs/dbraw/zinc/39/24/92/198392492.db2.gz FOOUMIHTMAYTJY-ZDUSSCGKSA-N 0 3 323.397 1.420 20 5 DDBDHN COC1CCN(CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000080250519 353598392 /nfs/dbraw/zinc/59/83/92/353598392.db2.gz IUZXQROAUQBTKC-UHFFFAOYSA-N 0 3 322.365 1.216 20 5 DDBDHN CN1CCC(O)(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000080880768 353633702 /nfs/dbraw/zinc/63/37/02/353633702.db2.gz QSRUPNOJTAQKQQ-AATRIKPKSA-N 0 3 319.361 1.181 20 5 DDBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CN2CCC1CC2 ZINC000357251963 291033245 /nfs/dbraw/zinc/03/32/45/291033245.db2.gz DPRZCIHXXBTBMQ-HNNXBMFYSA-N 0 3 321.352 1.829 20 5 DDBDHN CN1CC[C@@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000346292086 283058380 /nfs/dbraw/zinc/05/83/80/283058380.db2.gz AZGNKBRZTKIUHA-MRXNPFEDSA-N 0 3 321.352 1.831 20 5 DDBDHN CN(C)C[C@@H](CO)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000588864660 354944292 /nfs/dbraw/zinc/94/42/92/354944292.db2.gz MAHQLYNNSVMBFI-JTQLQIEISA-N 0 3 323.374 1.462 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000590010570 355040139 /nfs/dbraw/zinc/04/01/39/355040139.db2.gz PDPQJENEMDJWFL-FZMZJTMJSA-N 0 3 304.350 1.169 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000590446513 355099129 /nfs/dbraw/zinc/09/91/29/355099129.db2.gz WBWYIZYCOOEZEF-RISCZKNCSA-N 0 3 323.780 1.953 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590446551 355099669 /nfs/dbraw/zinc/09/96/69/355099669.db2.gz UJAAVCQKXDYSIK-IUODEOHRSA-N 0 3 318.377 1.559 20 5 DDBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2C[C@H](F)CN2)c1 ZINC000591281867 355277514 /nfs/dbraw/zinc/27/75/14/355277514.db2.gz QCOLRXHYKPPMGB-UWVGGRQHSA-N 0 3 319.283 1.986 20 5 DDBDHN Cc1ccc(CN[C@H]2CCc3c(nnn3C)C2)cc1[N+](=O)[O-] ZINC000594515583 356241586 /nfs/dbraw/zinc/24/15/86/356241586.db2.gz NVZCBIGCBIPOPX-LBPRGKRZSA-N 0 3 301.350 1.679 20 5 DDBDHN O=[N+]([O-])c1cc(CN[C@@H](CO)C2CCC2)c2c(c1)COCO2 ZINC000594957816 356363563 /nfs/dbraw/zinc/36/35/63/356363563.db2.gz VAWULAYWJQDLJY-AWEZNQCLSA-N 0 3 308.334 1.712 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@]1(C)CCC(=O)N1 ZINC000595053472 356376496 /nfs/dbraw/zinc/37/64/96/356376496.db2.gz VLUPIYDSIXKWSJ-ZUZCIYMTSA-N 0 3 307.350 1.923 20 5 DDBDHN COCc1nnc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])[n-]1 ZINC000595068469 356378542 /nfs/dbraw/zinc/37/85/42/356378542.db2.gz PHRPFVUTBWXLDV-NSHDSACASA-N 0 3 319.365 1.970 20 5 DDBDHN C[C@@H](NC[C@@]1(OCCO)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000595077934 356379217 /nfs/dbraw/zinc/37/92/17/356379217.db2.gz LKENRRMDUNWJEV-DOMZBBRYSA-N 0 3 310.350 1.413 20 5 DDBDHN Cn1cc(CN[C@H]2C[C@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595000903 356370715 /nfs/dbraw/zinc/37/07/15/356370715.db2.gz MZDCIUXKMLBWSA-MQMHXKEQSA-N 0 3 302.334 1.608 20 5 DDBDHN O=[N+]([O-])c1ccc(OC2CCN(CCc3cn[nH]n3)CC2)cc1 ZINC000595329741 356450722 /nfs/dbraw/zinc/45/07/22/356450722.db2.gz BVMKLPWPZPBATH-UHFFFAOYSA-N 0 3 317.349 1.799 20 5 DDBDHN O=[N+]([O-])c1ccc(OC2CCN(CCc3c[nH]nn3)CC2)cc1 ZINC000595329741 356450727 /nfs/dbraw/zinc/45/07/27/356450727.db2.gz BVMKLPWPZPBATH-UHFFFAOYSA-N 0 3 317.349 1.799 20 5 DDBDHN O=C(CN[C@@H](CO)C1CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595616882 356578665 /nfs/dbraw/zinc/57/86/65/356578665.db2.gz OSHPFISVVFWSJS-AWEZNQCLSA-N 0 3 319.361 1.235 20 5 DDBDHN CC[C@@H](NC(=O)CNC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000236903125 202061952 /nfs/dbraw/zinc/06/19/52/202061952.db2.gz MJRDSJWCGKLZEL-LSDHHAIUSA-N 0 3 321.377 1.931 20 5 DDBDHN COc1ccc(OCCN[C@@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595786035 356652416 /nfs/dbraw/zinc/65/24/16/356652416.db2.gz YXASLTWUHCVFRH-CABCVRRESA-N 0 3 322.361 1.875 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596163183 356797830 /nfs/dbraw/zinc/79/78/30/356797830.db2.gz QDQGZGPQBRBEEW-RNCFNFMXSA-N 0 3 304.350 1.588 20 5 DDBDHN COc1cc(N[C@H](CO)CN(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596244978 356830729 /nfs/dbraw/zinc/83/07/29/356830729.db2.gz TUDLHULHATVCJT-QMMMGPOBSA-N 0 3 303.746 1.591 20 5 DDBDHN CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000597945617 357394128 /nfs/dbraw/zinc/39/41/28/357394128.db2.gz JXKBXNZHCYLSJP-CYBMUJFWSA-N 0 3 320.393 1.949 20 5 DDBDHN COc1ccc(OCCN2CC[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000598647126 357668660 /nfs/dbraw/zinc/66/86/60/357668660.db2.gz BUTVSAKFMWVEFV-OLZOCXBDSA-N 0 3 324.377 1.933 20 5 DDBDHN CC(C)[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCN1 ZINC000598571162 357635723 /nfs/dbraw/zinc/63/57/23/357635723.db2.gz HBMRVVJHLNEOCA-HNNXBMFYSA-N 0 3 305.378 1.984 20 5 DDBDHN CC(C)[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCN1 ZINC000598572082 357637101 /nfs/dbraw/zinc/63/71/01/357637101.db2.gz KVIIJKZTDXOYTA-AWEZNQCLSA-N 0 3 307.350 1.430 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCN1CC[C@@H](O)C1)CCC2 ZINC000599084666 357810414 /nfs/dbraw/zinc/81/04/14/357810414.db2.gz DVSJKNBTEGGDRS-GDBMZVCRSA-N 0 3 305.378 1.628 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN2C2CCCCC2)n1 ZINC000600229969 358163160 /nfs/dbraw/zinc/16/31/60/358163160.db2.gz MFWIODXSOJTAKM-LBPRGKRZSA-N 0 3 321.381 1.465 20 5 DDBDHN Nc1c(C(=O)NC[C@@H]2CCN2C2CCCC2)cccc1[N+](=O)[O-] ZINC000600474578 358234801 /nfs/dbraw/zinc/23/48/01/358234801.db2.gz YZZPAVIUFPFLPJ-LBPRGKRZSA-N 0 3 318.377 1.924 20 5 DDBDHN COC(=O)c1ccc(-c2cnn(CCN(C)C)c2)c([N+](=O)[O-])c1 ZINC000600783193 358313945 /nfs/dbraw/zinc/31/39/45/358313945.db2.gz DQRJICYPILLRMK-UHFFFAOYSA-N 0 3 318.333 1.807 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(c2ncc[nH]2)CC1 ZINC000602776970 359183382 /nfs/dbraw/zinc/18/33/82/359183382.db2.gz CERHXKIZLYUCLQ-UHFFFAOYSA-N 0 3 304.354 1.702 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(OCC2CC2)CC1 ZINC000602784107 359188644 /nfs/dbraw/zinc/18/86/44/359188644.db2.gz PUXRNGJIAMATQD-UHFFFAOYSA-N 0 3 308.382 1.991 20 5 DDBDHN C[C@@]12CN(Cc3ccccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000602732244 359153974 /nfs/dbraw/zinc/15/39/74/359153974.db2.gz REJMGFWBPMFZGH-GJZGRUSLSA-N 0 3 303.318 1.079 20 5 DDBDHN Cn1cc(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])n1 ZINC000602837065 359228138 /nfs/dbraw/zinc/22/81/38/359228138.db2.gz SSLCJSSRUCPKKP-MJBXVCDLSA-N 0 3 308.382 1.844 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCOC[C@H](C2CCC2)C1 ZINC000602843256 359231710 /nfs/dbraw/zinc/23/17/10/359231710.db2.gz ZLUOECNMCCAGHE-CQSZACIVSA-N 0 3 308.382 1.848 20 5 DDBDHN COC(=O)[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000602869366 359252972 /nfs/dbraw/zinc/25/29/72/359252972.db2.gz JORHITMDPBYIKP-QWHCGFSZSA-N 0 3 322.365 1.231 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](c2ncc[nH]2)C1 ZINC000602796360 359197211 /nfs/dbraw/zinc/19/72/11/359197211.db2.gz XYGKEKWNTWIWQV-LBPRGKRZSA-N 0 3 304.354 1.702 20 5 DDBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602820571 359216022 /nfs/dbraw/zinc/21/60/22/359216022.db2.gz GTRVUIILGWYCTH-GFCCVEGCSA-N 0 3 323.397 1.013 20 5 DDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602937112 359306690 /nfs/dbraw/zinc/30/66/90/359306690.db2.gz QIGDTKNJHJIJRX-VFVAKGGASA-N 0 3 317.345 1.640 20 5 DDBDHN CC1(CO)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000186975528 200042012 /nfs/dbraw/zinc/04/20/12/200042012.db2.gz FHQBZMASAIMARX-AWEZNQCLSA-N 0 3 324.377 1.429 20 5 DDBDHN CC(C)c1ccc(CNCCc2nnnn2C)cc1[N+](=O)[O-] ZINC000611314595 360697486 /nfs/dbraw/zinc/69/74/86/360697486.db2.gz PKFUMTUIKWBKDI-UHFFFAOYSA-N 0 3 304.354 1.574 20 5 DDBDHN C[C@H]1COCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612104202 360920612 /nfs/dbraw/zinc/92/06/12/360920612.db2.gz QTMCVEQIGXTUJV-STQMWFEESA-N 0 3 310.350 1.445 20 5 DDBDHN COCCN(C)CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000579422463 422764347 /nfs/dbraw/zinc/76/43/47/422764347.db2.gz RKXDSZADPBWGNR-LBPRGKRZSA-N 0 3 309.366 1.393 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCCN(C)C2)c1 ZINC000619583489 364071613 /nfs/dbraw/zinc/07/16/13/364071613.db2.gz PFABUTWZUHWVCO-CYBMUJFWSA-N 0 3 321.377 1.883 20 5 DDBDHN COc1cc(CNCCc2cnn(C)c2)c([N+](=O)[O-])cc1OC ZINC000263724863 203531066 /nfs/dbraw/zinc/53/10/66/203531066.db2.gz WZFGKLZADMTFQG-UHFFFAOYSA-N 0 3 320.349 1.678 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cc(F)cc(F)c2)c1 ZINC000579460257 422772610 /nfs/dbraw/zinc/77/26/10/422772610.db2.gz NAKHRPMSLZQMAG-ZDUSSCGKSA-N 0 3 312.276 1.220 20 5 DDBDHN C[C@@H](c1ccc(F)cc1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266416828 205331512 /nfs/dbraw/zinc/33/15/12/205331512.db2.gz HORHLHQYLUZQQV-XHDPSFHLSA-N 0 3 322.340 1.984 20 5 DDBDHN O=C(CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CCOCC1 ZINC000579494646 422782044 /nfs/dbraw/zinc/78/20/44/422782044.db2.gz VLTBMYIRZNIOOY-CQSZACIVSA-N 0 3 319.361 1.421 20 5 DDBDHN CCNC(=O)C(C)(C)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285115361 218296099 /nfs/dbraw/zinc/29/60/99/218296099.db2.gz KXRMZIVWDOCFKV-JTQLQIEISA-N 0 3 308.382 1.990 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](O)C[C@H]1C ZINC000340904204 251267055 /nfs/dbraw/zinc/26/70/55/251267055.db2.gz JAGOJEHLMOKFGU-ZYHUDNBSSA-N 0 3 323.349 1.387 20 5 DDBDHN O=C(NCCN1CCCCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000067004177 184444621 /nfs/dbraw/zinc/44/46/21/184444621.db2.gz WOCMDWCXJICRMM-UHFFFAOYSA-N 0 3 306.366 1.880 20 5 DDBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000119856306 195049637 /nfs/dbraw/zinc/04/96/37/195049637.db2.gz LZDSXWDIFKBHCT-OLZOCXBDSA-N 0 3 312.391 1.772 20 5 DDBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1n1ccnc1 ZINC000120202023 195118778 /nfs/dbraw/zinc/11/87/78/195118778.db2.gz XHRZIOTYENHYSJ-OCCSQVGLSA-N 0 3 304.354 1.571 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C)n1 ZINC000567999831 304261009 /nfs/dbraw/zinc/26/10/09/304261009.db2.gz QXGPTMBCBGOSDU-YOGCLGLASA-N 0 3 321.381 1.556 20 5 DDBDHN CCC[C@]1(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])CCOC1 ZINC000352828685 285325646 /nfs/dbraw/zinc/32/56/46/285325646.db2.gz YQLJQFOUYNYUQL-HNNXBMFYSA-N 0 3 307.350 1.743 20 5 DDBDHN CSc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000570322855 304406690 /nfs/dbraw/zinc/40/66/90/304406690.db2.gz NZFWHNWDVSWCBZ-LBPRGKRZSA-N 0 3 323.378 1.059 20 5 DDBDHN CN(C)C(=O)CN1CCC(NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000077220999 406980356 /nfs/dbraw/zinc/98/03/56/406980356.db2.gz VPWLBKRRMKXQCP-UHFFFAOYSA-N 0 3 320.393 1.237 20 5 DDBDHN Cc1ccc(C(=O)N2CCN(CCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000053305137 407166190 /nfs/dbraw/zinc/16/61/90/407166190.db2.gz WASPAMZVDMHHJG-UHFFFAOYSA-N 0 3 320.393 1.223 20 5 DDBDHN C[C@@H]1CCCN(CCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000067292760 407270745 /nfs/dbraw/zinc/27/07/45/407270745.db2.gz UIIVEMZYTREJQV-CYBMUJFWSA-N 0 3 320.393 1.855 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1N(C)C ZINC000271205478 407573528 /nfs/dbraw/zinc/57/35/28/407573528.db2.gz XTYTZKXTXPGTFW-NWDGAFQWSA-N 0 3 324.406 1.295 20 5 DDBDHN CCN(C)CCNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000265921051 407512363 /nfs/dbraw/zinc/51/23/63/407512363.db2.gz BYPPPRQGLAQWHS-UHFFFAOYSA-N 0 3 311.338 1.294 20 5 DDBDHN C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)N1CCCCCC1 ZINC000130003342 407642504 /nfs/dbraw/zinc/64/25/04/407642504.db2.gz VADHSQPRJIGAKF-GFCCVEGCSA-N 0 3 309.370 1.172 20 5 DDBDHN CCCc1n[nH]c(C(=O)N(C)C[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000115716897 407703930 /nfs/dbraw/zinc/70/39/30/407703930.db2.gz ZVPFZAPJUWFYPQ-LLVKDONJSA-N 0 3 323.397 1.684 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000268147760 407912872 /nfs/dbraw/zinc/91/28/72/407912872.db2.gz FKWCDIKLEIEZFC-YMTOWFKASA-N 0 3 307.325 1.946 20 5 DDBDHN C[C@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000245404340 407964197 /nfs/dbraw/zinc/96/41/97/407964197.db2.gz OWUCDDOSKZKTFU-GXTWGEPZSA-N 0 3 310.350 1.445 20 5 DDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCCC[C@@H]1O ZINC000272451903 407929119 /nfs/dbraw/zinc/92/91/19/407929119.db2.gz CHDQCEJBJNBSJL-JSGCOSHPSA-N 0 3 309.366 1.239 20 5 DDBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc([S@](C)=O)cc1 ZINC000273021396 408022134 /nfs/dbraw/zinc/02/21/34/408022134.db2.gz SDAHYZZNKSPAQE-XFNZEKPQSA-N 0 3 322.390 1.880 20 5 DDBDHN CCOC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182220578 408098880 /nfs/dbraw/zinc/09/88/80/408098880.db2.gz CLQOHDSKLRIMPB-CYBMUJFWSA-N 0 3 324.377 1.835 20 5 DDBDHN COc1ccc(NC(=O)CNC2(CO)CCCC2)c([N+](=O)[O-])c1 ZINC000175995710 408263713 /nfs/dbraw/zinc/26/37/13/408263713.db2.gz GIXWCNVSVBLQEX-UHFFFAOYSA-N 0 3 323.349 1.437 20 5 DDBDHN COC[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000183431734 408411175 /nfs/dbraw/zinc/41/11/75/408411175.db2.gz UJJNRZJSSCBYRA-AWEZNQCLSA-N 0 3 319.361 1.499 20 5 DDBDHN CN1CCN(CCCn2cc(Cl)cc([N+](=O)[O-])c2=O)CC1 ZINC000274727664 408512131 /nfs/dbraw/zinc/51/21/31/408512131.db2.gz HLVXKYSXJGWFGK-UHFFFAOYSA-N 0 3 314.773 1.047 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177128902 408527390 /nfs/dbraw/zinc/52/73/90/408527390.db2.gz KQFOATOKPVTRCR-YPMHNXCESA-N 0 3 303.362 1.879 20 5 DDBDHN C[NH+](C)CC(C)(C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000192700966 408634884 /nfs/dbraw/zinc/63/48/84/408634884.db2.gz UJCGHNUTMJNBJY-UHFFFAOYSA-N 0 3 315.395 1.461 20 5 DDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000177821789 408724440 /nfs/dbraw/zinc/72/44/40/408724440.db2.gz ZNNOLYGSQZDMJP-NEPJUHHUSA-N 0 3 321.381 1.336 20 5 DDBDHN CN(C)Cc1ccccc1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000193806705 408745230 /nfs/dbraw/zinc/74/52/30/408745230.db2.gz LFXZSVYKNGOWNK-UHFFFAOYSA-N 0 3 317.349 1.169 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2CC[C@H](CN3CCOCC3)C2)cc1F ZINC000276288051 408829060 /nfs/dbraw/zinc/82/90/60/408829060.db2.gz HDFFUVQXHVMMOJ-CQSZACIVSA-N 0 3 323.368 1.888 20 5 DDBDHN O=[N+]([O-])c1cnc(NC2CCN(C[C@@H]3CCOC3)CC2)s1 ZINC000192458809 163223910 /nfs/dbraw/zinc/22/39/10/163223910.db2.gz ORQHFUPWGFVSQU-JTQLQIEISA-N 0 3 312.395 1.964 20 5 DDBDHN CN(CCCN(C)c1ncc([N+](=O)[O-])c(N)n1)Cc1ccco1 ZINC000286390906 408975706 /nfs/dbraw/zinc/97/57/06/408975706.db2.gz MPMIPAMOZRLFRK-UHFFFAOYSA-N 0 3 320.353 1.518 20 5 DDBDHN Nc1c(C(=O)NC[C@H]2CCCCN2C2CC2)cccc1[N+](=O)[O-] ZINC000277610460 408976443 /nfs/dbraw/zinc/97/64/43/408976443.db2.gz VFTQPMXPGQPLQU-GFCCVEGCSA-N 0 3 318.377 1.924 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](C)N(C3CC3)C2)n1 ZINC000287723351 409082617 /nfs/dbraw/zinc/08/26/17/409082617.db2.gz FKUQSNPAWRNZQE-UWVGGRQHSA-N 0 3 320.349 1.814 20 5 DDBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H](CO)[C@H]2CCOC2)c1 ZINC000280251338 409277695 /nfs/dbraw/zinc/27/76/95/409277695.db2.gz IXLWRYUFORINKF-JQWIXIFHSA-N 0 3 314.769 1.983 20 5 DDBDHN CCc1nn(C)c(NC[C@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000317844505 164028480 /nfs/dbraw/zinc/02/84/80/164028480.db2.gz YAJXIMXGAIDACF-QWRGUYRKSA-N 0 3 309.370 1.166 20 5 DDBDHN CC[C@@H](NC(=O)CCOC1CNC1)c1cccc([N+](=O)[O-])c1 ZINC000348989572 164104003 /nfs/dbraw/zinc/10/40/03/164104003.db2.gz CULFNJKFWYUERJ-CQSZACIVSA-N 0 3 307.350 1.541 20 5 DDBDHN CCc1nn(C)c(N2CC[C@@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000408077591 164219735 /nfs/dbraw/zinc/21/97/35/164219735.db2.gz ZOFPJYDPOXBCCV-GFCCVEGCSA-N 0 3 307.398 1.955 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CCC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000408098377 164227532 /nfs/dbraw/zinc/22/75/32/164227532.db2.gz FNKBGWIPWKLNPX-NSHDSACASA-N 0 3 307.354 1.327 20 5 DDBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCN2CCC2)c1 ZINC000344876003 409538454 /nfs/dbraw/zinc/53/84/54/409538454.db2.gz CDSFZBLWOZRYBM-UHFFFAOYSA-N 0 3 301.293 1.992 20 5 DDBDHN CN(C)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000342930811 410006513 /nfs/dbraw/zinc/00/65/13/410006513.db2.gz VZMNQTRKYNKWSD-UHFFFAOYSA-N 0 3 316.361 1.925 20 5 DDBDHN CC[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)N1CCCC1 ZINC000298456010 410234927 /nfs/dbraw/zinc/23/49/27/410234927.db2.gz JKYFIGRERBHTAV-SNVBAGLBSA-N 0 3 307.354 1.375 20 5 DDBDHN CN(C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000194225916 306728466 /nfs/dbraw/zinc/72/84/66/306728466.db2.gz XQAVGIAXLXBXMQ-UHFFFAOYSA-N 0 3 324.356 1.053 20 5 DDBDHN Cn1nncc1CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000352599015 410671370 /nfs/dbraw/zinc/67/13/70/410671370.db2.gz XDNONBZCJCEUSE-RYUDHWBXSA-N 0 3 305.342 1.193 20 5 DDBDHN C[C@@H]1[C@H](C)N(C)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337299227 410698037 /nfs/dbraw/zinc/69/80/37/410698037.db2.gz MGDUOFBPHNPWIR-QWHCGFSZSA-N 0 3 320.393 1.948 20 5 DDBDHN Cc1ccc([C@@H](C)NC(=O)C(N)C(F)(F)F)cc1[N+](=O)[O-] ZINC000353010358 410730317 /nfs/dbraw/zinc/73/03/17/410730317.db2.gz IPVWZNXSAACCGH-XCBNKYQSSA-N 0 3 305.256 1.970 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCN2CCCC[C@@H]2C)n1 ZINC000331209012 411021112 /nfs/dbraw/zinc/02/11/12/411021112.db2.gz QBQFQONQAIEBOI-NSHDSACASA-N 0 3 309.370 1.415 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000374387553 418525981 /nfs/dbraw/zinc/52/59/81/418525981.db2.gz BMJJYZXWCHCHJB-OFQRWUPVSA-N 0 3 306.362 1.987 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)C2CCCC2)n1 ZINC000191659528 222106518 /nfs/dbraw/zinc/10/65/18/222106518.db2.gz VDDGOTVPARKORL-UHFFFAOYSA-N 0 3 323.397 1.758 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCC(C)CC2)n1 ZINC000191787810 222109408 /nfs/dbraw/zinc/10/94/08/222109408.db2.gz ZLGHEYWHUBLBNJ-LBPRGKRZSA-N 0 3 323.397 1.661 20 5 DDBDHN COc1ccc(OCCN2CC[C@@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000361420923 418649949 /nfs/dbraw/zinc/64/99/49/418649949.db2.gz QECWKSOVMSGMPZ-CQSZACIVSA-N 0 3 310.350 1.827 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000408471312 418805101 /nfs/dbraw/zinc/80/51/01/418805101.db2.gz WVOLWAAHWZLQNW-VHSXEESVSA-N 0 3 307.354 1.217 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000408471312 418805102 /nfs/dbraw/zinc/80/51/02/418805102.db2.gz WVOLWAAHWZLQNW-VHSXEESVSA-N 0 3 307.354 1.217 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H](C)N(C)C)c1F ZINC000411372208 418897286 /nfs/dbraw/zinc/89/72/86/418897286.db2.gz BOJDDOCUJGRFSU-VIFPVBQESA-N 0 3 313.329 1.351 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(C)cc(CN)c1 ZINC000424230677 228249837 /nfs/dbraw/zinc/24/98/37/228249837.db2.gz BIMPWWNLYMMNFK-UHFFFAOYSA-N 0 3 303.322 1.506 20 5 DDBDHN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCCN1C ZINC000420994804 419432107 /nfs/dbraw/zinc/43/21/07/419432107.db2.gz CQVSQESLCBRAPC-GFCCVEGCSA-N 0 3 306.366 1.559 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)CN(C)C ZINC000421793499 419732685 /nfs/dbraw/zinc/73/26/85/419732685.db2.gz WKLKZYLHQAUIIG-HNNXBMFYSA-N 0 3 309.366 1.254 20 5 DDBDHN CNCc1ccccc1NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000428558786 419892904 /nfs/dbraw/zinc/89/29/04/419892904.db2.gz OAESPVPAMLLIDZ-UHFFFAOYSA-N 0 3 303.322 1.608 20 5 DDBDHN C[C@H](O)CN1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000428411440 419863150 /nfs/dbraw/zinc/86/31/50/419863150.db2.gz DOBMADSFWGIUEH-SDQPKGBYSA-N 0 3 305.378 1.606 20 5 DDBDHN Cc1nn(C)c(NCCCN2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000432863583 229134025 /nfs/dbraw/zinc/13/40/25/229134025.db2.gz BAQRXEHSQNWHQZ-NSHDSACASA-N 0 3 311.386 1.550 20 5 DDBDHN Cc1n[nH]c(C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000299578654 229226936 /nfs/dbraw/zinc/22/69/36/229226936.db2.gz XEDPTULILQQYAX-OUAUKWLOSA-N 0 3 323.397 1.723 20 5 DDBDHN CC(C)(NCCC(=O)N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000429254320 419994135 /nfs/dbraw/zinc/99/41/35/419994135.db2.gz KEOFBNLNFPKLNV-UHFFFAOYSA-N 0 3 321.377 1.668 20 5 DDBDHN COCCNCCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000423520765 420071080 /nfs/dbraw/zinc/07/10/80/420071080.db2.gz QGHYIFTZFMOGPD-UHFFFAOYSA-N 0 3 309.366 1.486 20 5 DDBDHN CC1(C)C[C@@H](NC[C@H]2CNCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000423580173 420086913 /nfs/dbraw/zinc/08/69/13/420086913.db2.gz XHTIRRHKOZJKPL-IUODEOHRSA-N 0 3 305.378 1.895 20 5 DDBDHN C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000420296131 420189521 /nfs/dbraw/zinc/18/95/21/420189521.db2.gz PXOOESBTJJUGCI-SECBINFHSA-N 0 3 312.757 1.480 20 5 DDBDHN CN(C)C1(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000416292022 420310965 /nfs/dbraw/zinc/31/09/65/420310965.db2.gz QAAJDUUYHRFBTK-UHFFFAOYSA-N 0 3 302.334 1.900 20 5 DDBDHN C[C@H](CN1CCCCC1)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420580194 420321755 /nfs/dbraw/zinc/32/17/55/420321755.db2.gz CAKBAOIMFAXFQU-LLVKDONJSA-N 0 3 306.366 1.980 20 5 DDBDHN CS[C@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000420598119 420326960 /nfs/dbraw/zinc/32/69/60/420326960.db2.gz BOWADWBAMBMFQR-RYUDHWBXSA-N 0 3 324.406 1.176 20 5 DDBDHN CN1CC[C@]2(CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])C2)C1 ZINC000420644193 420340212 /nfs/dbraw/zinc/34/02/12/420340212.db2.gz WPTKCXMHFVYUJP-HNNXBMFYSA-N 0 3 304.350 1.226 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CNCCO1 ZINC000423997029 420297823 /nfs/dbraw/zinc/29/78/23/420297823.db2.gz KVLSNOMAWXMWSF-GFCCVEGCSA-N 0 3 307.350 1.238 20 5 DDBDHN CN(C[C@@H]1CCCN1C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000420824936 420404528 /nfs/dbraw/zinc/40/45/28/420404528.db2.gz YDDUSOHYZVWGMI-HNNXBMFYSA-N 0 3 320.393 1.873 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCCN1CCO ZINC000452792475 420662855 /nfs/dbraw/zinc/66/28/55/420662855.db2.gz GFTCIJVEXMWCRO-OAHLLOKOSA-N 0 3 321.377 1.100 20 5 DDBDHN CN(C)CCOCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000471647272 420937665 /nfs/dbraw/zinc/93/76/65/420937665.db2.gz GBHYYTUJOVOYIU-UHFFFAOYSA-N 0 3 324.381 1.015 20 5 DDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000449522428 421022217 /nfs/dbraw/zinc/02/22/17/421022217.db2.gz KTPROPGWHCEDRA-HLIIYUEKSA-N 0 3 315.329 1.203 20 5 DDBDHN CCN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(NC)n2)C1 ZINC000455480938 421022409 /nfs/dbraw/zinc/02/24/09/421022409.db2.gz QNMQDQJNUZWJNU-JTQLQIEISA-N 0 3 307.354 1.246 20 5 DDBDHN CSCC[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000455816637 421065276 /nfs/dbraw/zinc/06/52/76/421065276.db2.gz XFQLQPSUAFJJJF-NSHDSACASA-N 0 3 317.798 1.945 20 5 DDBDHN COCCN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000490069521 421187776 /nfs/dbraw/zinc/18/77/76/421187776.db2.gz VBXFTKZJVPIDLB-CQSZACIVSA-N 0 3 310.350 1.711 20 5 DDBDHN COc1cccc(NC[C@@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000450588330 421213217 /nfs/dbraw/zinc/21/32/17/421213217.db2.gz AXMIUHQNTLXGLY-LBPRGKRZSA-N 0 3 309.366 1.862 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)N1CCCC1 ZINC000522757124 421225428 /nfs/dbraw/zinc/22/54/28/421225428.db2.gz VGIORGWRIRCBOQ-NSHDSACASA-N 0 3 309.370 1.090 20 5 DDBDHN COc1ccc(CC(=O)N2CCCN(C)CC2)cc1[N+](=O)[O-] ZINC000524444346 421260832 /nfs/dbraw/zinc/26/08/32/421260832.db2.gz GSVSSSNCXHGSNO-UHFFFAOYSA-N 0 3 307.350 1.310 20 5 DDBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)COC2CCOCC2)c1 ZINC000562985683 421435267 /nfs/dbraw/zinc/43/52/67/421435267.db2.gz KDRQOFYLIBIMRW-CQSZACIVSA-N 0 3 310.350 1.241 20 5 DDBDHN CN(CCNC(=O)c1c[nH]nc1[N+](=O)[O-])Cc1ccccc1 ZINC000548411965 421435513 /nfs/dbraw/zinc/43/55/13/421435513.db2.gz QTVXWBOVPKFNIK-UHFFFAOYSA-N 0 3 303.322 1.180 20 5 DDBDHN CN(CCCNC(=O)c1c[nH]nc1[N+](=O)[O-])Cc1ccccc1 ZINC000548407895 421435938 /nfs/dbraw/zinc/43/59/38/421435938.db2.gz XOHRKMGTUPNGKR-UHFFFAOYSA-N 0 3 317.349 1.570 20 5 DDBDHN CN1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000551038775 421526581 /nfs/dbraw/zinc/52/65/81/421526581.db2.gz DDKKBKYNUHRGHA-CYBMUJFWSA-N 0 3 323.393 1.361 20 5 DDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000552041289 421570608 /nfs/dbraw/zinc/57/06/08/421570608.db2.gz HHPRWCOVBJIQAV-NWDGAFQWSA-N 0 3 306.366 1.632 20 5 DDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000552041288 421571062 /nfs/dbraw/zinc/57/10/62/421571062.db2.gz HHPRWCOVBJIQAV-NEPJUHHUSA-N 0 3 306.366 1.632 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC(C)(C(N)=O)C1 ZINC000573363858 421953026 /nfs/dbraw/zinc/95/30/26/421953026.db2.gz WKHYQZGKXMASON-UHFFFAOYSA-N 0 3 320.349 1.039 20 5 DDBDHN C[C@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CN1C1CC1 ZINC000584383766 422299355 /nfs/dbraw/zinc/29/93/55/422299355.db2.gz PEOQRFYKDGKYIK-VHSXEESVSA-N 0 3 302.338 1.675 20 5 DDBDHN CC[C@@H](CN1CCCC1)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000594299360 422344017 /nfs/dbraw/zinc/34/40/17/422344017.db2.gz LAMJASPNAPGESS-NSHDSACASA-N 0 3 321.381 1.636 20 5 DDBDHN CC[C@@H](NC)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000595923664 422359820 /nfs/dbraw/zinc/35/98/20/422359820.db2.gz AVVUGESRDFXIHY-LLVKDONJSA-N 0 3 303.322 1.921 20 5 DDBDHN CN(C)C(=O)CCN1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000344438404 272026545 /nfs/dbraw/zinc/02/65/45/272026545.db2.gz HRECOGMEHJLXTR-UHFFFAOYSA-N 0 3 321.381 1.344 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000323802949 274004364 /nfs/dbraw/zinc/00/43/64/274004364.db2.gz GZXBTGRBYMLOCY-MRXNPFEDSA-N 0 3 319.361 1.913 20 5 DDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1N1CCCC1 ZINC000331665096 278165092 /nfs/dbraw/zinc/16/50/92/278165092.db2.gz YUWXFRLMEKMZGC-OLZOCXBDSA-N 0 3 324.406 1.575 20 5 DDBDHN CCN(C)CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272525900 279033251 /nfs/dbraw/zinc/03/32/51/279033251.db2.gz LXQJSOKPHORXSM-OAHLLOKOSA-N 0 3 317.393 1.959 20 5 DDBDHN CN(C)C[C@](C)(O)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000152498947 281745617 /nfs/dbraw/zinc/74/56/17/281745617.db2.gz WCBCRDSLQQTCLR-MVGZEHJDSA-N 0 3 307.350 1.037 20 5 DDBDHN O=[N+]([O-])c1c[nH]c(-c2nc(CC3=N[C@@H]4CCCC[C@H]4N3)no2)c1 ZINC000357932439 299024019 /nfs/dbraw/zinc/02/40/19/299024019.db2.gz IIAGGMPYICEATD-NXEZZACHSA-N 0 3 316.321 1.828 20 5 DDBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000363904172 300323797 /nfs/dbraw/zinc/32/37/97/300323797.db2.gz LBUQBWLFSCICAU-ZWNOBZJWSA-N 0 3 319.365 1.128 20 5 DDBDHN CSC1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCN(C)CC1 ZINC000355448204 306801663 /nfs/dbraw/zinc/80/16/63/306801663.db2.gz UUKQMOGLSBMNFY-UHFFFAOYSA-N 0 3 313.379 1.745 20 5 DDBDHN CSc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000518676234 302828812 /nfs/dbraw/zinc/82/88/12/302828812.db2.gz PPXJZBNXYZOXQB-ZDUSSCGKSA-N 0 3 322.390 1.664 20 5 DDBDHN CNC(=O)CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362390316 307020517 /nfs/dbraw/zinc/02/05/17/307020517.db2.gz HJSBYVYCKINVIG-UHFFFAOYSA-N 0 3 307.350 1.574 20 5 DDBDHN CC1(C)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000364916416 307053898 /nfs/dbraw/zinc/05/38/98/307053898.db2.gz NCGDXZIVMGYNQN-ZDUSSCGKSA-N 0 3 324.377 1.835 20 5 DDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000376561812 307247730 /nfs/dbraw/zinc/24/77/30/307247730.db2.gz JVNMMLWPZZGIOK-BXUZGUMPSA-N 0 3 304.350 1.689 20 5 DDBDHN COCCCN(C)CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000577437247 308387999 /nfs/dbraw/zinc/38/79/99/308387999.db2.gz NILBGSTYDIHPSV-CYBMUJFWSA-N 0 3 323.393 1.783 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCn2cccc2)cc1 ZINC000580553155 308613527 /nfs/dbraw/zinc/61/35/27/308613527.db2.gz TVTZZKVMYVPTSQ-UHFFFAOYSA-N 0 3 323.374 1.460 20 5 DDBDHN C[C@@H](O)CCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583500179 335623951 /nfs/dbraw/zinc/62/39/51/335623951.db2.gz PALIQCGATQRVJG-LLVKDONJSA-N 0 3 316.379 1.119 20 5 DDBDHN C[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000417232754 534313398 /nfs/dbraw/zinc/31/33/98/534313398.db2.gz MYEJLZCSGUBXTR-NEPJUHHUSA-N 0 3 306.366 1.529 20 5 DDBDHN NC(=O)NC(=O)CCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544310 534382546 /nfs/dbraw/zinc/38/25/46/534382546.db2.gz DSGSLGLXDQQQQS-LBPRGKRZSA-N 0 3 320.349 1.359 20 5 DDBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCN(C)C1 ZINC000156543246 523850614 /nfs/dbraw/zinc/85/06/14/523850614.db2.gz WOPCRDPINVSIQE-ZDUSSCGKSA-N 0 3 309.341 1.829 20 5 DDBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@@H+]1C ZINC000820665056 599589511 /nfs/dbraw/zinc/58/95/11/599589511.db2.gz DLEOMGJHWNNZIY-RKDXNWHRSA-N 0 3 318.341 1.065 20 5 DDBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1C ZINC000820665056 599589513 /nfs/dbraw/zinc/58/95/13/599589513.db2.gz DLEOMGJHWNNZIY-RKDXNWHRSA-N 0 3 318.341 1.065 20 5 DDBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1C ZINC000820665056 599589515 /nfs/dbraw/zinc/58/95/15/599589515.db2.gz DLEOMGJHWNNZIY-RKDXNWHRSA-N 0 3 318.341 1.065 20 5 DDBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1C ZINC000820665056 599589517 /nfs/dbraw/zinc/58/95/17/599589517.db2.gz DLEOMGJHWNNZIY-RKDXNWHRSA-N 0 3 318.341 1.065 20 5 DDBDHN CC1(C)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000781961621 698666457 /nfs/dbraw/zinc/66/64/57/698666457.db2.gz CREDUZISZOYTGM-OAHLLOKOSA-N 0 3 323.393 1.017 20 5 DDBDHN COc1ccc(C(=O)NCCN2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000742242115 699869978 /nfs/dbraw/zinc/86/99/78/699869978.db2.gz YVJASPINEBNDMD-LLVKDONJSA-N 0 3 307.350 1.818 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCCCC2)n1 ZINC000756814434 700642227 /nfs/dbraw/zinc/64/22/27/700642227.db2.gz ZMMBLZKWJJYLGL-NSHDSACASA-N 0 3 309.370 1.415 20 5 DDBDHN CC(C)N(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC(=O)N1 ZINC000839670014 701774593 /nfs/dbraw/zinc/77/45/93/701774593.db2.gz REVCMAGDSHXZLG-HIFRSBDPSA-N 0 3 321.377 1.617 20 5 DDBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)[N+](=O)[O-] ZINC000813100118 702290333 /nfs/dbraw/zinc/29/03/33/702290333.db2.gz NDPLLZJLFCYPOI-WCQYABFASA-N 0 3 321.333 1.142 20 5 DDBDHN CC(COC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)[N+](=O)[O-] ZINC000813103402 702292322 /nfs/dbraw/zinc/29/23/22/702292322.db2.gz PTTIWIMJWCXTQH-ZWNOBZJWSA-N 0 3 322.317 1.626 20 5 DDBDHN CC(COC(=O)c1ccn(-c2c(F)cccc2F)n1)[N+](=O)[O-] ZINC000813108891 702295269 /nfs/dbraw/zinc/29/52/69/702295269.db2.gz BSSQTYVZMMJURS-MRVPVSSYSA-N 0 3 311.244 1.973 20 5 DDBDHN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813110531 702295816 /nfs/dbraw/zinc/29/58/16/702295816.db2.gz COORYLFRYFNBHN-JSGCOSHPSA-N 0 3 322.361 1.722 20 5 DDBDHN CC(COC(=O)C[C@@H](c1ccccc1)N1CCOC1=O)[N+](=O)[O-] ZINC000813113657 702298160 /nfs/dbraw/zinc/29/81/60/702298160.db2.gz SCFRUERSHTZPRH-YPMHNXCESA-N 0 3 322.317 1.778 20 5 DDBDHN CCc1nc(-c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)n[nH]1 ZINC000813114922 702299147 /nfs/dbraw/zinc/29/91/47/702299147.db2.gz XVNRFSQCAJCNAR-SECBINFHSA-N 0 3 304.306 1.856 20 5 DDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000843472995 702888852 /nfs/dbraw/zinc/88/88/52/702888852.db2.gz UWVCXJPQQFRJDN-WDEREUQCSA-N 0 3 317.349 1.153 20 5 DDBDHN CC(C)[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000879600433 706734038 /nfs/dbraw/zinc/73/40/38/706734038.db2.gz DSZVMHCACQMVPF-CVEARBPZSA-N 0 3 307.394 1.900 20 5 DDBDHN CC1(C)C[C@H](O)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000879622169 706741970 /nfs/dbraw/zinc/74/19/70/706741970.db2.gz IHNSPQZQNGNIAU-STQMWFEESA-N 0 3 324.377 1.427 20 5 DDBDHN COC[C@H](OC)C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000851108024 703780929 /nfs/dbraw/zinc/78/09/29/703780929.db2.gz HZEQXNNMUHQJAB-TVYUQYBPSA-N 0 3 315.297 1.737 20 5 DDBDHN COc1cc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000818946040 704031246 /nfs/dbraw/zinc/03/12/46/704031246.db2.gz CTHVEUBZGYTVFS-CQSZACIVSA-N 0 3 303.318 1.822 20 5 DDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000874843457 705198938 /nfs/dbraw/zinc/19/89/38/705198938.db2.gz NMZLDTOULMOHFI-GJZGRUSLSA-N 0 3 318.377 1.702 20 5 DDBDHN CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000860777776 705279914 /nfs/dbraw/zinc/27/99/14/705279914.db2.gz VVZBUGYFPLETLM-UWVGGRQHSA-N 0 3 304.343 1.840 20 5 DDBDHN O=C(NCCN1CCCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825090948 705598220 /nfs/dbraw/zinc/59/82/20/705598220.db2.gz OLANICFQEFGHCV-AWEZNQCLSA-N 0 3 307.350 1.230 20 5 DDBDHN CN1CC[C@@](O)(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000828505310 706191486 /nfs/dbraw/zinc/19/14/86/706191486.db2.gz MYOHPUFJPWLQFS-CYBMUJFWSA-N 0 3 313.741 1.045 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(C2(C)OCCO2)CC1 ZINC000878268031 706343023 /nfs/dbraw/zinc/34/30/23/706343023.db2.gz PXWCUQVARNOYFA-UHFFFAOYSA-N 0 3 324.381 1.575 20 5 DDBDHN CN(C)c1ccc(F)cc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000865497014 706446822 /nfs/dbraw/zinc/44/68/22/706446822.db2.gz WFAQGCDLOGKEHQ-UHFFFAOYSA-N 0 3 307.329 1.786 20 5 DDBDHN C[C@@]1(C(F)(F)F)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000880001594 706850193 /nfs/dbraw/zinc/85/01/93/706850193.db2.gz RCJQICRFJDBYKI-GHMZBOCLSA-N 0 3 322.287 1.427 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000871673730 707164594 /nfs/dbraw/zinc/16/45/94/707164594.db2.gz NINFNBLSFHKYDZ-CYBMUJFWSA-N 0 3 314.345 1.378 20 5 DDBDHN CC(COC(=O)c1cn(CCc2ccccc2)nn1)[N+](=O)[O-] ZINC000835454637 707255374 /nfs/dbraw/zinc/25/53/74/707255374.db2.gz LGFRBFYEVMMCDO-NSHDSACASA-N 0 3 304.306 1.343 20 5 DDBDHN C[C@H]1[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000928435834 713194915 /nfs/dbraw/zinc/19/49/15/713194915.db2.gz DEAFQGRXNCMFBS-NWDGAFQWSA-N 0 3 306.366 1.240 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1C ZINC000928453739 713204071 /nfs/dbraw/zinc/20/40/71/713204071.db2.gz PVXJLFAKZKTQIB-MWLCHTKSSA-N 0 3 321.333 1.188 20 5 DDBDHN COc1cc([C@H](C)N[C@@H]2CCC(=O)N(C)C2)cc([N+](=O)[O-])c1 ZINC000903098358 711031412 /nfs/dbraw/zinc/03/14/12/711031412.db2.gz NPAWHJAFXDKZKC-CMPLNLGQSA-N 0 3 307.350 1.875 20 5 DDBDHN O=C1N(CCNCc2cccc([N+](=O)[O-])c2)C[C@H]2CCCCN12 ZINC000895345174 711490655 /nfs/dbraw/zinc/49/06/55/711490655.db2.gz YBBSPVAKJAIKTM-OAHLLOKOSA-N 0 3 318.377 1.975 20 5 DDBDHN CC[C@@H](NCC[N+](=O)[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000905170611 711958219 /nfs/dbraw/zinc/95/82/19/711958219.db2.gz RBHWBQFOHKUCEV-HZPDHXFCSA-N 0 3 307.394 1.532 20 5 DDBDHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000915625021 713425035 /nfs/dbraw/zinc/42/50/35/713425035.db2.gz GZIWRIBZOPOQBA-LBPRGKRZSA-N 0 3 323.349 1.561 20 5 DDBDHN COC(=O)COc1ccc(CN[C@H]2COC[C@@H]2C)cc1[N+](=O)[O-] ZINC000922641354 714108975 /nfs/dbraw/zinc/10/89/75/714108975.db2.gz GZJLPMVRJXEWND-JQWIXIFHSA-N 0 3 324.333 1.271 20 5 DDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000923264463 714289261 /nfs/dbraw/zinc/28/92/61/714289261.db2.gz QKCBZHTULDTZDI-QWHCGFSZSA-N 0 3 321.352 1.972 20 5 DDBDHN CN1CCN(C)CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000933992662 714716880 /nfs/dbraw/zinc/71/68/80/714716880.db2.gz IRXOHSKRFRNMJU-UHFFFAOYSA-N 0 3 310.373 1.413 20 5 DDBDHN CC(C)C(=O)N[C@H]1CC[C@H](NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001034592712 750595020 /nfs/dbraw/zinc/59/50/20/750595020.db2.gz CBIOYGJMEROSIN-HAQNSBGRSA-N 0 3 323.397 1.501 20 5 DDBDHN COC(=O)C[C@H](N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccn1 ZINC001168996533 762168676 /nfs/dbraw/zinc/16/86/76/762168676.db2.gz VOYNGRVKLICQBV-BZPMIXESSA-N 0 3 307.350 1.721 20 5 DDBDHN COc1cc(N2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)ccn1 ZINC001169052517 762208153 /nfs/dbraw/zinc/20/81/53/762208153.db2.gz GWERHMZDROXNGH-KBPBESRZSA-N 0 3 320.393 1.658 20 5 DDBDHN CCCN(C)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001097203471 756970904 /nfs/dbraw/zinc/97/09/04/756970904.db2.gz LPVBEKKKFYVWQE-TXEJJXNPSA-N 0 3 321.381 1.391 20 5 DDBDHN C[C@H](Nc1ccc([N+](=O)[O-])c2c1CCN(C)C2)[C@@H]1CNCCO1 ZINC001170577369 768264414 /nfs/dbraw/zinc/26/44/14/768264414.db2.gz ZFFNTXJYUKMEBX-ZBEGNZNMSA-N 0 3 320.393 1.372 20 5 DDBDHN COc1ccc(C[C@@H](C)N[C@@H]2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC001170309244 766259525 /nfs/dbraw/zinc/25/95/25/766259525.db2.gz PRITZRMRJBUJGE-ZWNOBZJWSA-N 0 3 307.350 1.355 20 5 DDBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N(CCN(C)C)CC(C)C)n1 ZINC001136693110 772092884 /nfs/dbraw/zinc/09/28/84/772092884.db2.gz UQTVKPHKPOOVOV-UHFFFAOYSA-N 0 3 308.382 1.958 20 5 DDBDHN Cc1[nH]cnc1CC(=O)NCCNc1nccc(C)c1[N+](=O)[O-] ZINC001093777057 775101877 /nfs/dbraw/zinc/10/18/77/775101877.db2.gz SFVZELWLSBOVIJ-UHFFFAOYSA-N 0 3 318.337 1.101 20 5 DDBDHN CN(C)CCONC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001118704472 781216069 /nfs/dbraw/zinc/21/60/69/781216069.db2.gz CZZUOFQBBQIFQQ-UHFFFAOYSA-N 0 3 319.321 1.004 20 5 DDBDHN Cc1nc(NC[C@H]2CCN2C2CCOCC2)ncc1[N+](=O)[O-] ZINC001120064186 781745106 /nfs/dbraw/zinc/74/51/06/781745106.db2.gz CQTAFMAIWZMSNU-GFCCVEGCSA-N 0 3 307.354 1.358 20 5 DDBDHN CCc1nc[nH]c1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001149448173 861622114 /nfs/dbraw/zinc/62/21/14/861622114.db2.gz QQRWIDGNIMCBEY-UHFFFAOYSA-N 0 3 317.349 1.400 20 5 DDBDHN Cc1cnn(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001124282435 859666790 /nfs/dbraw/zinc/66/67/90/859666790.db2.gz VQFQMIGYRUHODN-UHFFFAOYSA-N 0 3 317.349 1.006 20 5 DDBDHN COC(=O)c1ccnc(N2C[C@@H]3CCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157265910 863695278 /nfs/dbraw/zinc/69/52/78/863695278.db2.gz LIBVLZJHMNBHNH-CMPLNLGQSA-N 0 3 320.349 1.307 20 5 DDBDHN COc1cc(N2CCCc3ccc(CN)nc32)ncc1[N+](=O)[O-] ZINC001158650237 864787042 /nfs/dbraw/zinc/78/70/42/864787042.db2.gz YPNOIPOXKCUNGG-UHFFFAOYSA-N 0 3 315.333 1.936 20 5 DDBDHN O=[N+]([O-])c1ccc(Cl)c(NCc2nnn3c2CNCCC3)c1 ZINC001162971562 867958423 /nfs/dbraw/zinc/95/84/23/867958423.db2.gz KBSSLGABFZLODF-UHFFFAOYSA-N 0 3 322.756 1.945 20 5 DDBDHN CCOC(=O)c1cccc([N+](=O)[O-])c1-n1nc(CN)cc1C ZINC001163985410 868846389 /nfs/dbraw/zinc/84/63/89/868846389.db2.gz PJGCDNLKGUDTHQ-UHFFFAOYSA-N 0 3 304.306 1.724 20 5 DDBDHN O=[N+]([O-])c1cnccc1N1CCN[C@@H](c2ccc(O)cc2)C1 ZINC001164036090 868905736 /nfs/dbraw/zinc/90/57/36/868905736.db2.gz AVFVSOPAEFXSNU-CYBMUJFWSA-N 0 3 300.318 1.846 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C(C)(C)C1CC1 ZINC001164366300 869155946 /nfs/dbraw/zinc/15/59/46/869155946.db2.gz LXMOEKLXDMAIAE-UHFFFAOYSA-N 0 3 323.397 1.360 20 5 DDBDHN COC[C@]1(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CCCCN1 ZINC001341110463 871508816 /nfs/dbraw/zinc/50/88/16/871508816.db2.gz WICZNGDCHHJNMJ-WBMJQRKESA-N 0 3 321.377 1.931 20 5 DDBDHN CC(C)(C)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC001341474093 871673769 /nfs/dbraw/zinc/67/37/69/871673769.db2.gz QTENWKHFFZYXRF-UHFFFAOYSA-N 0 3 304.354 1.558 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@@H](C)C1 ZINC001318812830 872284914 /nfs/dbraw/zinc/28/49/14/872284914.db2.gz GKXFWXGWZHEBPG-LLVKDONJSA-N 0 3 306.366 1.708 20 5 DDBDHN Cc1n[nH]c(=O)c(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC001348957882 874894985 /nfs/dbraw/zinc/89/49/85/874894985.db2.gz LVFXKOQAPVKAIT-CQSZACIVSA-N 0 3 318.333 1.530 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001354261001 877844308 /nfs/dbraw/zinc/84/43/08/877844308.db2.gz XFVYUFIDVVNYIT-NSHDSACASA-N 0 3 305.334 1.072 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CC(N[C@H]3CCOC3)C2)c2ccncc21 ZINC001472889361 878331440 /nfs/dbraw/zinc/33/14/40/878331440.db2.gz XHZIAOGUQBZMMJ-NSHDSACASA-N 0 3 314.345 1.710 20 5 DDBDHN COC(=O)c1cccc(CO[C@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC001223663417 881048863 /nfs/dbraw/zinc/04/88/63/881048863.db2.gz WNSWPEUTCCIKPL-AWEZNQCLSA-N 0 3 320.345 1.992 20 5 DDBDHN CCOCCC(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001235583595 888770659 /nfs/dbraw/zinc/77/06/59/888770659.db2.gz MOKHWSWRQRTJMR-UHFFFAOYSA-N 0 3 323.393 1.960 20 5 DDBDHN CN1CCCC[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC001262653563 900287162 /nfs/dbraw/zinc/28/71/62/900287162.db2.gz KOHXNOQTNKMFDQ-GFCCVEGCSA-N 0 3 307.350 1.574 20 5 DDBDHN C[C@H](c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C)[N+](=O)[O-] ZINC001262863422 900400137 /nfs/dbraw/zinc/40/01/37/900400137.db2.gz FANFEPPHYWVPFI-GFCCVEGCSA-N 0 3 324.429 1.711 20 5 DDBDHN COC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000452078489 231292445 /nfs/dbraw/zinc/29/24/45/231292445.db2.gz DPBIPMVMPCERNM-CYBMUJFWSA-N 0 3 309.366 1.505 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCN(C)C1 ZINC000301981077 529933021 /nfs/dbraw/zinc/93/30/21/529933021.db2.gz IOXWGGWJCMXXIW-NSHDSACASA-N 0 3 306.366 1.708 20 5 DDBDHN CC(C)[NH2+]CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000036299726 352295427 /nfs/dbraw/zinc/29/54/27/352295427.db2.gz PVGLKMHFBDVVMP-UHFFFAOYSA-N 0 3 301.368 1.261 20 5 DDBDHN CCN1CCC(NC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000043291913 352364867 /nfs/dbraw/zinc/36/48/67/352364867.db2.gz QYJXBMABPWFLPE-UHFFFAOYSA-N 0 3 306.366 1.878 20 5 DDBDHN COc1ccc(C(=O)NC[C@H](C)N2CCCC2)cc1[N+](=O)[O-] ZINC000046408601 352451545 /nfs/dbraw/zinc/45/15/45/352451545.db2.gz LGTDVIHROVXEGB-NSHDSACASA-N 0 3 307.350 1.818 20 5 DDBDHN C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000068064837 353084733 /nfs/dbraw/zinc/08/47/33/353084733.db2.gz HHELKOIJJFHDNZ-LBPRGKRZSA-N 0 3 307.350 1.574 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H]1C(=N)NO ZINC000370724491 307134137 /nfs/dbraw/zinc/13/41/37/307134137.db2.gz LKBWIAXHKKWSBI-LBPRGKRZSA-N 0 3 308.338 1.914 20 5 DDBDHN CN(C)CCn1nnnc1SCc1csc([N+](=O)[O-])c1 ZINC000077433225 353468455 /nfs/dbraw/zinc/46/84/55/353468455.db2.gz CQZPVEXVSQAWKT-UHFFFAOYSA-N 0 3 314.396 1.497 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000089603086 353776080 /nfs/dbraw/zinc/77/60/80/353776080.db2.gz RTGGWWRAXWKPGN-CYBMUJFWSA-N 0 3 306.366 1.963 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1NCCCCN1CCN(C)CC1 ZINC000092606996 353863429 /nfs/dbraw/zinc/86/34/29/353863429.db2.gz LIWYEOCFZHACIL-UHFFFAOYSA-N 0 3 307.398 1.738 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000277039169 213256541 /nfs/dbraw/zinc/25/65/41/213256541.db2.gz HBIMQNHJZWFVRB-RISCZKNCSA-N 0 3 319.361 1.770 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCCc3sccc32)c1 ZINC000315531651 354494940 /nfs/dbraw/zinc/49/49/40/354494940.db2.gz HDFADFVJGBEWIW-YPMHNXCESA-N 0 3 322.390 1.881 20 5 DDBDHN NC[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F ZINC000401759775 354667220 /nfs/dbraw/zinc/66/72/20/354667220.db2.gz UIEKVFCEJXZCDZ-ZETCQYMHSA-N 0 3 311.647 1.868 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000590011323 355040113 /nfs/dbraw/zinc/04/01/13/355040113.db2.gz HYVXHWXAYNKYOL-IUODEOHRSA-N 0 3 318.377 1.478 20 5 DDBDHN C[C@H](C(=O)N1CC[C@H]2CN(C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000590045683 355043669 /nfs/dbraw/zinc/04/36/69/355043669.db2.gz SVRKMGJNYXVODN-PGUXBMHVSA-N 0 3 321.352 2.000 20 5 DDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ccc(F)cc1[N+](=O)[O-] ZINC000591982778 355453072 /nfs/dbraw/zinc/45/30/72/355453072.db2.gz RHPVMHKMZOLWSC-JTQLQIEISA-N 0 3 310.329 1.290 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2CCN[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000592242288 355546092 /nfs/dbraw/zinc/54/60/92/355546092.db2.gz RHDNQAHQALDEGK-LLVKDONJSA-N 0 3 309.370 1.340 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2CCN[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000592242288 355546096 /nfs/dbraw/zinc/54/60/96/355546096.db2.gz RHDNQAHQALDEGK-LLVKDONJSA-N 0 3 309.370 1.340 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@](C)(CO)C(C)C)c1 ZINC000593028618 355774571 /nfs/dbraw/zinc/77/45/71/355774571.db2.gz IIINGUNVTVHPPE-OAHLLOKOSA-N 0 3 310.350 1.878 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3CN(C)C[C@H]32)c1 ZINC000593029325 355774181 /nfs/dbraw/zinc/77/41/81/355774181.db2.gz FFXPAVAPRACXDH-IUODEOHRSA-N 0 3 319.361 1.517 20 5 DDBDHN CCc1n[nH]c(C(=O)N(C)CCN2CCCCC2)c1[N+](=O)[O-] ZINC000593883540 356039853 /nfs/dbraw/zinc/03/98/53/356039853.db2.gz OJTMZFCKAUOGLN-UHFFFAOYSA-N 0 3 309.370 1.438 20 5 DDBDHN CCc1[nH]nc(C(=O)N(C)CCN2CCCCC2)c1[N+](=O)[O-] ZINC000593883540 356039856 /nfs/dbraw/zinc/03/98/56/356039856.db2.gz OJTMZFCKAUOGLN-UHFFFAOYSA-N 0 3 309.370 1.438 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)CN1CCOCC1 ZINC000595013725 356371840 /nfs/dbraw/zinc/37/18/40/356371840.db2.gz RVAXBQZSETVYCC-STQMWFEESA-N 0 3 323.393 1.975 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@]1(OCCO)CCOC1 ZINC000595072216 356378609 /nfs/dbraw/zinc/37/86/09/356378609.db2.gz QSSVQFHMZUQXEW-GDBMZVCRSA-N 0 3 322.361 1.340 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3ccco3)CC2)c1 ZINC000595619072 356580170 /nfs/dbraw/zinc/58/01/70/356580170.db2.gz ZQUQSEVQDXEWQM-CQSZACIVSA-N 0 3 320.349 1.625 20 5 DDBDHN COc1ccc(OCCN2C[C@@H](C)[C@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000595872665 356686785 /nfs/dbraw/zinc/68/67/85/356686785.db2.gz KLOYHUHEBMQXKW-WBMJQRKESA-N 0 3 324.377 1.933 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000595908469 356701700 /nfs/dbraw/zinc/70/17/00/356701700.db2.gz IMQLOSMHZXRZHO-GASCZTMLSA-N 0 3 306.366 1.684 20 5 DDBDHN C[C@@H]1C[N@H+](CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCO1 ZINC000596207345 356814113 /nfs/dbraw/zinc/81/41/13/356814113.db2.gz DGYLAORCNIALFP-LLVKDONJSA-N 0 3 310.354 1.608 20 5 DDBDHN C[C@@H]1C[N@@H+](CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCO1 ZINC000596207345 356814118 /nfs/dbraw/zinc/81/41/18/356814118.db2.gz DGYLAORCNIALFP-LLVKDONJSA-N 0 3 310.354 1.608 20 5 DDBDHN O=c1[nH]ccc(N2CCC[C@H](N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000596294527 356848355 /nfs/dbraw/zinc/84/83/55/356848355.db2.gz LVQSEYXNZYZYLB-LBPRGKRZSA-N 0 3 322.365 1.387 20 5 DDBDHN CC(C)[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000598574934 357637773 /nfs/dbraw/zinc/63/77/73/357637773.db2.gz MQNGIMJBJFSFII-AWEZNQCLSA-N 0 3 307.350 1.430 20 5 DDBDHN NCc1cccc2c1N(CCn1ccc([N+](=O)[O-])n1)CCC2 ZINC000600723014 358296414 /nfs/dbraw/zinc/29/64/14/358296414.db2.gz SZKVEFORNAFIIV-UHFFFAOYSA-N 0 3 301.350 1.703 20 5 DDBDHN COc1ccc(CC(=O)NC[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000600690441 358283741 /nfs/dbraw/zinc/28/37/41/358283741.db2.gz KSYJLNKMPQZGBE-LBPRGKRZSA-N 0 3 307.350 1.356 20 5 DDBDHN Cc1cc([N+](=O)[O-])nn1C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000601960860 358754624 /nfs/dbraw/zinc/75/46/24/358754624.db2.gz WVFGYYWAYBPQCM-INIZCTEOSA-N 0 3 316.361 1.737 20 5 DDBDHN O=[N+]([O-])c1nccn1C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000601965307 358755921 /nfs/dbraw/zinc/75/59/21/358755921.db2.gz UAPAUJNZAZIPRZ-HNNXBMFYSA-N 0 3 302.334 1.428 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](CN2CCCC2=O)C1 ZINC000602903828 359284468 /nfs/dbraw/zinc/28/44/68/359284468.db2.gz SUFAFDCSXSEORT-CYBMUJFWSA-N 0 3 321.381 1.044 20 5 DDBDHN CC[C@]1(O)CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000602982687 359337669 /nfs/dbraw/zinc/33/76/69/359337669.db2.gz WUAJRYJQQFKXQC-HOCLYGCPSA-N 0 3 324.377 1.571 20 5 DDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCN(C)C1CC1 ZINC000186782719 200009672 /nfs/dbraw/zinc/00/96/72/200009672.db2.gz GWFRCXGBMCTDBX-GFCCVEGCSA-N 0 3 320.393 1.948 20 5 DDBDHN CN(C)CCn1cc(NC(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000604511328 359758877 /nfs/dbraw/zinc/75/88/77/359758877.db2.gz WKHXHUCRSBIMQP-UHFFFAOYSA-N 0 3 309.351 1.667 20 5 DDBDHN CNCCN(C)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000440831113 283526228 /nfs/dbraw/zinc/52/62/28/283526228.db2.gz HWEHAKGIZMGFIQ-UHFFFAOYSA-N 0 3 301.368 1.052 20 5 DDBDHN CC[C@H](CN1CCCC1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000609833287 360354189 /nfs/dbraw/zinc/35/41/89/360354189.db2.gz GCIHQCOVRXTMDB-CYBMUJFWSA-N 0 3 321.377 1.964 20 5 DDBDHN CC[C@@H](CN1CCCC1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610715970 360514603 /nfs/dbraw/zinc/51/46/03/360514603.db2.gz OOFRVNRURQWMMP-LBPRGKRZSA-N 0 3 306.366 1.980 20 5 DDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000610808399 360542490 /nfs/dbraw/zinc/54/24/90/360542490.db2.gz IJRXARYEYXTDMG-NSHDSACASA-N 0 3 324.406 1.399 20 5 DDBDHN CCN1CCN(C[C@@H](C)CNc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193389453 201043287 /nfs/dbraw/zinc/04/32/87/201043287.db2.gz LJCNPWNMZRQJME-ZDUSSCGKSA-N 0 3 321.425 1.863 20 5 DDBDHN COCCN(C)CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000579422462 422764655 /nfs/dbraw/zinc/76/46/55/422764655.db2.gz RKXDSZADPBWGNR-GFCCVEGCSA-N 0 3 309.366 1.393 20 5 DDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000619566049 364063238 /nfs/dbraw/zinc/06/32/38/364063238.db2.gz VZBMFVRTDITFLG-ZDUSSCGKSA-N 0 3 313.379 1.185 20 5 DDBDHN C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000275146981 212150668 /nfs/dbraw/zinc/15/06/68/212150668.db2.gz FWMSQWSHANNJJM-ZWNOBZJWSA-N 0 3 306.322 1.408 20 5 DDBDHN CCc1n[nH]c(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000275067543 212101939 /nfs/dbraw/zinc/10/19/39/212101939.db2.gz AHXMBWQYVPLIHR-GXSJLCMTSA-N 0 3 309.370 1.293 20 5 DDBDHN CCc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000275067543 212101941 /nfs/dbraw/zinc/10/19/41/212101941.db2.gz AHXMBWQYVPLIHR-GXSJLCMTSA-N 0 3 309.370 1.293 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CCN1C ZINC000340948526 251296872 /nfs/dbraw/zinc/29/68/72/251296872.db2.gz CCDMCSCTGINSIM-WCQYABFASA-N 0 3 306.366 1.877 20 5 DDBDHN CO[C@@H]1[C@@H](C)[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000295936401 532979100 /nfs/dbraw/zinc/97/91/00/532979100.db2.gz IPFBYSKMJQZSTP-QCZZGDTMSA-N 0 3 321.377 1.843 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000361064039 299797530 /nfs/dbraw/zinc/79/75/30/299797530.db2.gz YSMGWPJZMYDNST-WDEREUQCSA-N 0 3 313.427 1.601 20 5 DDBDHN CN1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000077309133 406984819 /nfs/dbraw/zinc/98/48/19/406984819.db2.gz IWAVLLCIVSKTOI-UHFFFAOYSA-N 0 3 324.356 1.101 20 5 DDBDHN COc1ccc(C(=O)NC[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000108341334 407384732 /nfs/dbraw/zinc/38/47/32/407384732.db2.gz KSSVFQROQOSGLK-LLVKDONJSA-N 0 3 307.350 1.675 20 5 DDBDHN C[C@H]1C[C@@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])CCN1C ZINC000127498491 407438857 /nfs/dbraw/zinc/43/88/57/407438857.db2.gz HVPMAKGSLRFCGD-STQMWFEESA-N 0 3 320.393 1.948 20 5 DDBDHN O=[N+]([O-])c1ccc(CCN2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000178495746 407471839 /nfs/dbraw/zinc/47/18/39/407471839.db2.gz RQHGUMCBPVAGQK-INIZCTEOSA-N 0 3 319.405 1.791 20 5 DDBDHN O=[N+]([O-])c1ccccc1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000178500875 407473002 /nfs/dbraw/zinc/47/30/02/407473002.db2.gz TVOZUXVQIITZGK-CQSZACIVSA-N 0 3 305.378 1.749 20 5 DDBDHN C[C@H](NC[C@H](C)N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000127716538 407459184 /nfs/dbraw/zinc/45/91/84/407459184.db2.gz NRILAAWMYZHLJG-KBPBESRZSA-N 0 3 306.410 1.881 20 5 DDBDHN Cc1ccc(NCCCNC(=O)/C=C/CN(C)C)c([N+](=O)[O-])c1 ZINC000265802258 407462853 /nfs/dbraw/zinc/46/28/53/407462853.db2.gz KDRNHZCAMUDQFT-GQCTYLIASA-N 0 3 320.393 1.939 20 5 DDBDHN CN(C)Cc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000271428957 407682106 /nfs/dbraw/zinc/68/21/06/407682106.db2.gz RLMDNESVFVOHGY-UHFFFAOYSA-N 0 3 303.322 1.642 20 5 DDBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@]2(O)CCOC2)c1 ZINC000179020876 407694296 /nfs/dbraw/zinc/69/42/96/407694296.db2.gz MDYUYJKJSAMLPS-CYBMUJFWSA-N 0 3 318.276 1.437 20 5 DDBDHN Cc1cc(C(=O)N(C)C[C@@H]2CCCN(C)C2)c(N)c([N+](=O)[O-])c1 ZINC000115716737 407702881 /nfs/dbraw/zinc/70/28/81/407702881.db2.gz INYNIVYQRYDGIA-GFCCVEGCSA-N 0 3 320.393 1.899 20 5 DDBDHN CN(C)[C@@]1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000267092304 407746713 /nfs/dbraw/zinc/74/67/13/407746713.db2.gz ITXGEQCKIAZORE-CQSZACIVSA-N 0 3 309.391 1.762 20 5 DDBDHN C[C@@H](CN)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000237436075 407817801 /nfs/dbraw/zinc/81/78/01/407817801.db2.gz WWGXITIYTIMJLQ-ZDUSSCGKSA-N 0 3 323.396 1.960 20 5 DDBDHN COCCCN(C)CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000268051513 407869170 /nfs/dbraw/zinc/86/91/70/407869170.db2.gz QBFWICJFOFXSJG-UHFFFAOYSA-N 0 3 323.393 1.612 20 5 DDBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180525348 407897638 /nfs/dbraw/zinc/89/76/38/407897638.db2.gz DZCPSLWURQJLGZ-JTQLQIEISA-N 0 3 307.354 1.176 20 5 DDBDHN COC(=O)c1cc(C(=O)N2C[C@H](C)NC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000272501713 407949014 /nfs/dbraw/zinc/94/90/14/407949014.db2.gz DUIFYYWDEUADPF-UWVGGRQHSA-N 0 3 321.333 1.204 20 5 DDBDHN CCOc1ccc(C(=O)N2CCN[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262782440 407927900 /nfs/dbraw/zinc/92/79/00/407927900.db2.gz LSRKCOPXCLNIDQ-WDEREUQCSA-N 0 3 307.350 1.816 20 5 DDBDHN COC(=O)CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000154273137 408007610 /nfs/dbraw/zinc/00/76/10/408007610.db2.gz XXGDULIAXUFTMA-CQSZACIVSA-N 0 3 310.350 1.902 20 5 DDBDHN COc1ccc(NC(=O)NC[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000272865605 408014652 /nfs/dbraw/zinc/01/46/52/408014652.db2.gz SVGSUJZWFBCGHL-NSHDSACASA-N 0 3 308.338 1.819 20 5 DDBDHN CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CCN1C[C@H](C)O ZINC000268479686 408065230 /nfs/dbraw/zinc/06/52/30/408065230.db2.gz LCRLUWVUTSKYIN-AAEUAGOBSA-N 0 3 308.382 1.580 20 5 DDBDHN C[C@@H]1CCC[C@H](CO)N1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182220767 408099037 /nfs/dbraw/zinc/09/90/37/408099037.db2.gz DQGXXAUHODJIDV-MCIONIFRSA-N 0 3 324.377 1.570 20 5 DDBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1(CO)CC1 ZINC000190009697 408145044 /nfs/dbraw/zinc/14/50/44/408145044.db2.gz AHZFOKCVOXAIOA-LBPRGKRZSA-N 0 3 310.350 1.039 20 5 DDBDHN C[C@@H](O)[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182492231 408179100 /nfs/dbraw/zinc/17/91/00/408179100.db2.gz LZPBWQMQNGGYDP-UPJWGTAASA-N 0 3 310.350 1.037 20 5 DDBDHN CCCc1[nH]nc(C(=O)N(C)[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000151201725 408274618 /nfs/dbraw/zinc/27/46/18/408274618.db2.gz PPQHYZSTGZVYKW-SNVBAGLBSA-N 0 3 309.370 1.437 20 5 DDBDHN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCCO1 ZINC000183187173 408346302 /nfs/dbraw/zinc/34/63/02/408346302.db2.gz PDOQNCGMGYLTPF-GLQYFDAESA-N 0 3 319.361 1.857 20 5 DDBDHN CCN1CCC[C@@H]1CN(C)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000177001273 408495588 /nfs/dbraw/zinc/49/55/88/408495588.db2.gz VOLLBBZBLOSHEZ-GFCCVEGCSA-N 0 3 309.370 1.042 20 5 DDBDHN COCCN1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000264538364 408526526 /nfs/dbraw/zinc/52/65/26/408526526.db2.gz AGVMVPBCJHUVEQ-GFCCVEGCSA-N 0 3 308.338 1.437 20 5 DDBDHN CN(C)[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)c1ccccc1 ZINC000160147377 408460991 /nfs/dbraw/zinc/46/09/91/408460991.db2.gz WTXOTIPJSMOTRX-LBPRGKRZSA-N 0 3 317.349 1.361 20 5 DDBDHN COc1cccc(C(=O)N2CCO[C@H](CN(C)C)C2)c1[N+](=O)[O-] ZINC000192584885 408613294 /nfs/dbraw/zinc/61/32/94/408613294.db2.gz WAEPTQYAYLERTD-LLVKDONJSA-N 0 3 323.349 1.006 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@@H]1CCOC1 ZINC000162799180 408734947 /nfs/dbraw/zinc/73/49/47/408734947.db2.gz ZIPOCKJQFDIFHY-WDEREUQCSA-N 0 3 323.349 1.557 20 5 DDBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000185309818 408794237 /nfs/dbraw/zinc/79/42/37/408794237.db2.gz MXOZXUWPJWJYAP-SKDRFNHKSA-N 0 3 307.354 1.031 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000249699037 408756943 /nfs/dbraw/zinc/75/69/43/408756943.db2.gz WMUQOSNHKKFNMV-CYBMUJFWSA-N 0 3 307.350 1.574 20 5 DDBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276375754 408844660 /nfs/dbraw/zinc/84/46/60/408844660.db2.gz PIJROQASCMJOGB-NSHDSACASA-N 0 3 320.393 1.979 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1N(C)C ZINC000276421886 408855266 /nfs/dbraw/zinc/85/52/66/408855266.db2.gz XLIJFGYGNFCMGS-CHWSQXEVSA-N 0 3 324.406 1.295 20 5 DDBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000287309708 409017346 /nfs/dbraw/zinc/01/73/46/409017346.db2.gz UQXVOSVOEOHPIQ-SMDDNHRTSA-N 0 3 318.377 1.876 20 5 DDBDHN C[C@H](CN1CCN(C)CC1)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293762887 409176525 /nfs/dbraw/zinc/17/65/25/409176525.db2.gz PDSGYYYLJNBECO-CHWSQXEVSA-N 0 3 321.425 1.464 20 5 DDBDHN CN(C)CCn1nccc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000294011755 409225747 /nfs/dbraw/zinc/22/57/47/409225747.db2.gz ITYFTOUZXSRRTD-UHFFFAOYSA-N 0 3 309.351 1.667 20 5 DDBDHN CN1CCC[C@@]2(CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000294128155 409245188 /nfs/dbraw/zinc/24/51/88/409245188.db2.gz MECLBPKDIMLTRX-OAHLLOKOSA-N 0 3 321.381 1.126 20 5 DDBDHN CN(C)c1cc(F)c(C(=O)NCCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000294780844 409303550 /nfs/dbraw/zinc/30/35/50/409303550.db2.gz GUAMNCUVWINMPS-UHFFFAOYSA-N 0 3 324.356 1.624 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000295498736 409317287 /nfs/dbraw/zinc/31/72/87/409317287.db2.gz PBGBMBXMUBAYGJ-CYBMUJFWSA-N 0 3 321.377 1.480 20 5 DDBDHN Cc1ccc([C@@H](C)NC(=O)CCOC2CNC2)cc1[N+](=O)[O-] ZINC000349001642 409639704 /nfs/dbraw/zinc/63/97/04/409639704.db2.gz OIBSPBAIOHTFRC-LLVKDONJSA-N 0 3 307.350 1.459 20 5 DDBDHN CCN(Cc1cccc(F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304302908 409598964 /nfs/dbraw/zinc/59/89/64/409598964.db2.gz IQZOGWMHRGYCBU-OAHLLOKOSA-N 0 3 322.340 1.813 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000331533983 409611909 /nfs/dbraw/zinc/61/19/09/409611909.db2.gz POWVGFFLXBATOO-ZANVPECISA-N 0 3 307.325 1.946 20 5 DDBDHN COc1ccc(C(=O)N(CCN(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000356890534 409693414 /nfs/dbraw/zinc/69/34/14/409693414.db2.gz DGXJSXJJWANDPF-UHFFFAOYSA-N 0 3 307.350 1.770 20 5 DDBDHN C[C@H](CN(C)C)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000349617353 409885123 /nfs/dbraw/zinc/88/51/23/409885123.db2.gz PBGUJTLPGKFMSM-LLVKDONJSA-N 0 3 309.370 1.256 20 5 DDBDHN C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000357308547 409967228 /nfs/dbraw/zinc/96/72/28/409967228.db2.gz WNYSRUZWRVXNEZ-QWRGUYRKSA-N 0 3 321.381 1.621 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@H](C)N(C)C ZINC000297884288 410037134 /nfs/dbraw/zinc/03/71/34/410037134.db2.gz NPPOTOQNTXNLQS-NSHDSACASA-N 0 3 322.365 1.216 20 5 DDBDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332228480 409994865 /nfs/dbraw/zinc/99/48/65/409994865.db2.gz LIEXJGVTLDXTAY-WDEREUQCSA-N 0 3 303.366 1.996 20 5 DDBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357916701 410323917 /nfs/dbraw/zinc/32/39/17/410323917.db2.gz WSEVJZYYJYOOAN-GFCCVEGCSA-N 0 3 323.397 1.713 20 5 DDBDHN COc1ccc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000347011791 410312587 /nfs/dbraw/zinc/31/25/87/410312587.db2.gz MLGILANBLTWHOU-CYBMUJFWSA-N 0 3 319.361 1.912 20 5 DDBDHN COc1ccc(CNC(=O)N2CCCN(C)CC2)cc1[N+](=O)[O-] ZINC000298924140 410452611 /nfs/dbraw/zinc/45/26/11/410452611.db2.gz JLSTZINWACZGLT-UHFFFAOYSA-N 0 3 322.365 1.451 20 5 DDBDHN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 ZINC000298853776 410423214 /nfs/dbraw/zinc/42/32/14/410423214.db2.gz NHMQVEUCIVGFKI-ZDUSSCGKSA-N 0 3 302.334 1.956 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](c2cccnc2)C2CC2)c1 ZINC000347358335 410492660 /nfs/dbraw/zinc/49/26/60/410492660.db2.gz JWNLKVMLVREKCJ-CABCVRRESA-N 0 3 317.349 1.288 20 5 DDBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000352186866 410533250 /nfs/dbraw/zinc/53/32/50/410533250.db2.gz OJQDLPLIFVPMMG-UONOGXRCSA-N 0 3 310.350 1.445 20 5 DDBDHN O=[N+]([O-])c1cccc2ncnc(N3CC[C@H](N4CC=CC4)C3)c21 ZINC000347403043 410524157 /nfs/dbraw/zinc/52/41/57/410524157.db2.gz HYEADBHZLJTZLY-LBPRGKRZSA-N 0 3 311.345 1.989 20 5 DDBDHN CCCN1CCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000343580961 410548754 /nfs/dbraw/zinc/54/87/54/410548754.db2.gz XYYLRHIMFQBWQE-NSHDSACASA-N 0 3 324.356 1.920 20 5 DDBDHN C[C@H]1[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCCN1C ZINC000355924339 410735911 /nfs/dbraw/zinc/73/59/11/410735911.db2.gz ZBDOFTHHXBSYOZ-JOYOIKCWSA-N 0 3 317.349 1.684 20 5 DDBDHN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000348211746 410856462 /nfs/dbraw/zinc/85/64/62/410856462.db2.gz FXNIZQZDTQYCEX-CYBMUJFWSA-N 0 3 318.377 1.702 20 5 DDBDHN COC(=O)COc1ccc(CNC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000353760808 411124249 /nfs/dbraw/zinc/12/42/49/411124249.db2.gz RDNDWJMDEMUQAU-LBPRGKRZSA-N 0 3 324.333 1.415 20 5 DDBDHN N=C(NO)[C@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000374175506 418500401 /nfs/dbraw/zinc/50/04/01/418500401.db2.gz OYKFWAFYQJIIRT-CYBMUJFWSA-N 0 3 308.338 1.784 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)n1 ZINC000191678694 222107521 /nfs/dbraw/zinc/10/75/21/222107521.db2.gz WECAAVLCWGPBQZ-RYUDHWBXSA-N 0 3 321.381 1.368 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375057011 418598128 /nfs/dbraw/zinc/59/81/28/418598128.db2.gz DPTNQYBJAPRMEX-IUODEOHRSA-N 0 3 319.361 1.526 20 5 DDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000367839364 418644104 /nfs/dbraw/zinc/64/41/04/418644104.db2.gz AMSJYLOTNJUMMD-PWSUYJOCSA-N 0 3 319.365 1.271 20 5 DDBDHN Cn1ccnc1[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000365649777 418889205 /nfs/dbraw/zinc/88/92/05/418889205.db2.gz PKJXJYSQFHYCOI-GFCCVEGCSA-N 0 3 304.354 1.404 20 5 DDBDHN CC[C@](C)(NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000411391393 418899194 /nfs/dbraw/zinc/89/91/94/418899194.db2.gz OEGHDDVSDWGMDH-AWEZNQCLSA-N 0 3 308.338 1.167 20 5 DDBDHN Cc1ccn(C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000365161509 418841033 /nfs/dbraw/zinc/84/10/33/418841033.db2.gz VHYKQHVHFCTMIS-UHFFFAOYSA-N 0 3 304.354 1.633 20 5 DDBDHN CC(=O)N[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000420990901 419429603 /nfs/dbraw/zinc/42/96/03/419429603.db2.gz VHKSAUJAGDGPQO-ZDUSSCGKSA-N 0 3 320.349 1.134 20 5 DDBDHN C[C@@H]1CC[C@@H](O)CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000421002928 419438570 /nfs/dbraw/zinc/43/85/70/419438570.db2.gz BYHULHAPJANSOQ-BNOWGMLFSA-N 0 3 310.350 1.180 20 5 DDBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1CCCN1C ZINC000421009413 419445349 /nfs/dbraw/zinc/44/53/49/419445349.db2.gz QAXQJPDJGVWYRK-WFASDCNBSA-N 0 3 320.393 1.948 20 5 DDBDHN Cc1nc([C@@H]2CCN(CCOc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000412029358 419574788 /nfs/dbraw/zinc/57/47/88/419574788.db2.gz OJHPQCWEVCCEIK-GFCCVEGCSA-N 0 3 317.349 1.890 20 5 DDBDHN Cc1n[nH]c([C@@H]2CCN(CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000412029358 419574799 /nfs/dbraw/zinc/57/47/99/419574799.db2.gz OJHPQCWEVCCEIK-GFCCVEGCSA-N 0 3 317.349 1.890 20 5 DDBDHN Cc1nnc([C@@H]2CCN(CCOc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412029358 419574806 /nfs/dbraw/zinc/57/48/06/419574806.db2.gz OJHPQCWEVCCEIK-GFCCVEGCSA-N 0 3 317.349 1.890 20 5 DDBDHN CN(C[C@H]1CCCN1C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000421709141 419692690 /nfs/dbraw/zinc/69/26/90/419692690.db2.gz CRKWUVXYONEQRB-CYBMUJFWSA-N 0 3 309.341 1.829 20 5 DDBDHN C[C@H]1COCC[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000432357454 229098365 /nfs/dbraw/zinc/09/83/65/229098365.db2.gz MHQSGRAFIUVTPA-HZMBPMFUSA-N 0 3 308.334 1.976 20 5 DDBDHN NCc1cn([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000415134784 419960621 /nfs/dbraw/zinc/96/06/21/419960621.db2.gz WDVMAQVRBKXBCK-HNNXBMFYSA-N 0 3 316.365 1.482 20 5 DDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1(N(C)C)CC1 ZINC000416305230 420321454 /nfs/dbraw/zinc/32/14/54/420321454.db2.gz ATGVTGUNEIWUPE-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC(C3CCCCC3)C2)c1 ZINC000453029487 420704593 /nfs/dbraw/zinc/70/45/93/420704593.db2.gz XDEFQARCHZLAQC-OAHLLOKOSA-N 0 3 308.382 1.664 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000454370395 420848012 /nfs/dbraw/zinc/84/80/12/420848012.db2.gz XWQVZCZZSVGCNM-HIFRSBDPSA-N 0 3 318.377 1.483 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000459813037 420880623 /nfs/dbraw/zinc/88/06/23/420880623.db2.gz VYVDJQNQEDEQDH-LSDHHAIUSA-N 0 3 308.382 1.664 20 5 DDBDHN COc1cc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c([N+](=O)[O-])cc1[O-] ZINC000449744396 421071867 /nfs/dbraw/zinc/07/18/67/421071867.db2.gz GTNKVRLVAKSDQL-WCBMZHEXSA-N 0 3 309.322 1.053 20 5 DDBDHN CNc1nc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000455879220 421072614 /nfs/dbraw/zinc/07/26/14/421072614.db2.gz CBBPRZDXJQOUEJ-ZJUUUORDSA-N 0 3 319.365 1.387 20 5 DDBDHN CN1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000550133017 421513187 /nfs/dbraw/zinc/51/31/87/421513187.db2.gz WIHYDCHWYMYPJF-UHFFFAOYSA-N 0 3 317.349 1.637 20 5 DDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)N1CCC[C@@H](C)C1 ZINC000518772203 421667057 /nfs/dbraw/zinc/66/70/57/421667057.db2.gz ZYNLXLMVKZXSSG-NEPJUHHUSA-N 0 3 308.382 1.784 20 5 DDBDHN C[C@H]1CCN(CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000554597369 421653880 /nfs/dbraw/zinc/65/38/80/421653880.db2.gz DYDQYZILULHJMH-LBPRGKRZSA-N 0 3 306.366 1.465 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C[C@@H](C)[NH3+])c1C ZINC000570842554 421674128 /nfs/dbraw/zinc/67/41/28/421674128.db2.gz PAPFBWVYIDEGBH-NXEZZACHSA-N 0 3 315.395 1.616 20 5 DDBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(C2CC2)C1 ZINC000522306428 421824124 /nfs/dbraw/zinc/82/41/24/421824124.db2.gz PDRSBBZZUDAVPY-GFCCVEGCSA-N 0 3 304.350 1.631 20 5 DDBDHN Cc1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000578933112 422674538 /nfs/dbraw/zinc/67/45/38/422674538.db2.gz PGBBBCSRGLOCCZ-CQSZACIVSA-N 0 3 317.345 1.828 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@]12CCOC2 ZINC000341956080 271259405 /nfs/dbraw/zinc/25/94/05/271259405.db2.gz SKIYNELTTRYQKY-CZUORRHYSA-N 0 3 322.361 1.589 20 5 DDBDHN COc1cc(CN[C@H]2CCC(=O)N[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000342052921 271283038 /nfs/dbraw/zinc/28/30/38/271283038.db2.gz WFYXPUPVKGMKNU-BLLLJJGKSA-N 0 3 319.361 1.750 20 5 DDBDHN CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000347005001 272601602 /nfs/dbraw/zinc/60/16/02/272601602.db2.gz KVUFLNXKPUOMMR-CQSZACIVSA-N 0 3 303.362 1.832 20 5 DDBDHN CCN1CCC(N(C)C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000331218234 276148943 /nfs/dbraw/zinc/14/89/43/276148943.db2.gz RQNZXIMNNDCCLH-UHFFFAOYSA-N 0 3 323.397 1.998 20 5 DDBDHN CCN1CCC(N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000331218234 276148944 /nfs/dbraw/zinc/14/89/44/276148944.db2.gz RQNZXIMNNDCCLH-UHFFFAOYSA-N 0 3 323.397 1.998 20 5 DDBDHN CC[NH2+][C@H](C)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000262474026 276270631 /nfs/dbraw/zinc/27/06/31/276270631.db2.gz PNTNOXCPZBXKSD-SNVBAGLBSA-N 0 3 301.368 1.180 20 5 DDBDHN CN1CCN(C)[C@@H](CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000278849947 277102147 /nfs/dbraw/zinc/10/21/47/277102147.db2.gz VPMDHOSDTOTRMH-RDJZCZTQSA-N 0 3 318.421 1.808 20 5 DDBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4nonc43)[C@@H]2C1 ZINC000272188275 277146728 /nfs/dbraw/zinc/14/67/28/277146728.db2.gz LOSVBPJDZDEBNU-BXKDBHETSA-N 0 3 303.322 1.661 20 5 DDBDHN COC(=O)CCN(CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000090549146 277316995 /nfs/dbraw/zinc/31/69/95/277316995.db2.gz XIGKNKDZAOCVSV-UHFFFAOYSA-N 0 3 311.338 1.030 20 5 DDBDHN Cc1c(CC(=O)N(C)CCN2CCCC2)cccc1[N+](=O)[O-] ZINC000120368450 281117097 /nfs/dbraw/zinc/11/70/97/281117097.db2.gz VJFWRQUWTCSISU-UHFFFAOYSA-N 0 3 305.378 2.000 20 5 DDBDHN C[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000371350442 301454330 /nfs/dbraw/zinc/45/43/30/301454330.db2.gz RZNLTGNBIGBKAX-UONOGXRCSA-N 0 3 319.409 1.452 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(OCC3CC3)CC2)c1 ZINC000374129219 301764687 /nfs/dbraw/zinc/76/46/87/301764687.db2.gz GSKQCOUNEAPCFB-CQSZACIVSA-N 0 3 324.381 1.043 20 5 DDBDHN N[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCC1 ZINC000399238245 302365536 /nfs/dbraw/zinc/36/55/36/302365536.db2.gz SLMXPWZEIUPWRZ-HNNXBMFYSA-N 0 3 318.377 1.371 20 5 DDBDHN Cc1cc(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1F ZINC000444739313 302394861 /nfs/dbraw/zinc/39/48/61/302394861.db2.gz ADNONFMTAHSAHZ-AWEZNQCLSA-N 0 3 322.340 1.732 20 5 DDBDHN CCCN(CCN1CCCC1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000553387452 303674339 /nfs/dbraw/zinc/67/43/39/303674339.db2.gz CGZOEFCWAWHCQV-UHFFFAOYSA-N 0 3 306.366 1.938 20 5 DDBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000366473779 307074629 /nfs/dbraw/zinc/07/46/29/307074629.db2.gz LEOOZNGLQGJYJD-NSHDSACASA-N 0 3 309.322 1.171 20 5 DDBDHN Cn1cc(N2CC[C@@H](NCc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000370906741 307139506 /nfs/dbraw/zinc/13/95/06/307139506.db2.gz XPNXUZYXXXOOGS-CYBMUJFWSA-N 0 3 301.350 1.697 20 5 DDBDHN COC(=O)[C@]12CCC[C@H]1CN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC000374695377 307211922 /nfs/dbraw/zinc/21/19/22/307211922.db2.gz FNIMJXROSTXSGG-FZMZJTMJSA-N 0 3 308.338 1.066 20 5 DDBDHN C[C@H](CO)N1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000375505424 307227044 /nfs/dbraw/zinc/22/70/44/307227044.db2.gz HBXSXRHXIBEXJV-LLVKDONJSA-N 0 3 324.337 1.396 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCc2ccccc2[C@H]1CN ZINC000566797710 308063898 /nfs/dbraw/zinc/06/38/98/308063898.db2.gz MDNHTHFZSGMIMP-GFCCVEGCSA-N 0 3 315.333 1.027 20 5 DDBDHN Cc1c(NC(=O)CCN2CC(C)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000567791107 308095856 /nfs/dbraw/zinc/09/58/56/308095856.db2.gz HCNCDAFCHFTUEQ-UHFFFAOYSA-N 0 3 320.349 1.039 20 5 DDBDHN CN(C)CCn1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)n1 ZINC000570461690 308171073 /nfs/dbraw/zinc/17/10/73/308171073.db2.gz HXJYSEVSIFZURN-UHFFFAOYSA-N 0 3 317.349 1.283 20 5 DDBDHN CCN(CCN1CCCCCC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000573159281 308230642 /nfs/dbraw/zinc/23/06/42/308230642.db2.gz VRABWNXWQIMNQA-UHFFFAOYSA-N 0 3 309.370 1.656 20 5 DDBDHN C[C@H](N[C@H]1C[C@@H](O)C1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000584478657 337348173 /nfs/dbraw/zinc/34/81/73/337348173.db2.gz YHNRSBLJAYZRRA-TVYUQYBPSA-N 0 3 307.350 1.671 20 5 DDBDHN Cc1c(CN2C[C@H](C)N(CCO)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000419331798 533847306 /nfs/dbraw/zinc/84/73/06/533847306.db2.gz RUTJOXPZBVJYDN-STQMWFEESA-N 0 3 307.394 1.790 20 5 DDBDHN CCN1CCC(NC(=O)COc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000157966672 521573174 /nfs/dbraw/zinc/57/31/74/521573174.db2.gz LTJLZIURZWLQDS-UHFFFAOYSA-N 0 3 322.365 1.278 20 5 DDBDHN CCN1CC[C@H](NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000412836463 527874591 /nfs/dbraw/zinc/87/45/91/527874591.db2.gz ISOHBVHTMUDFFQ-NSHDSACASA-N 0 3 323.349 1.436 20 5 DDBDHN CCNC(=O)N1CC[C@H](N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000294800459 528155584 /nfs/dbraw/zinc/15/55/84/528155584.db2.gz OYRVUESBQJRPDY-JQWIXIFHSA-N 0 3 321.381 1.631 20 5 DDBDHN CC(C)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735883095 598500222 /nfs/dbraw/zinc/50/02/22/598500222.db2.gz WFBNPWXTFCENPA-VIFPVBQESA-N 0 3 318.341 1.065 20 5 DDBDHN CC(C)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000735883095 598500223 /nfs/dbraw/zinc/50/02/23/598500223.db2.gz WFBNPWXTFCENPA-VIFPVBQESA-N 0 3 318.341 1.065 20 5 DDBDHN CC(C)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735883095 598500224 /nfs/dbraw/zinc/50/02/24/598500224.db2.gz WFBNPWXTFCENPA-VIFPVBQESA-N 0 3 318.341 1.065 20 5 DDBDHN CC(C)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000735883095 598500225 /nfs/dbraw/zinc/50/02/25/598500225.db2.gz WFBNPWXTFCENPA-VIFPVBQESA-N 0 3 318.341 1.065 20 5 DDBDHN O=C(NCCN1CCCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778220759 698250577 /nfs/dbraw/zinc/25/05/77/698250577.db2.gz BVQNDEGEYPLNNI-UHFFFAOYSA-N 0 3 321.362 1.425 20 5 DDBDHN CC(C)N(C)C[C@H](C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000809861203 701696140 /nfs/dbraw/zinc/69/61/40/701696140.db2.gz SUUDTWUZZNRPJA-VIFPVBQESA-N 0 3 321.424 1.663 20 5 DDBDHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000743978817 699931504 /nfs/dbraw/zinc/93/15/04/699931504.db2.gz PDLWCHKFWKHUDL-LLVKDONJSA-N 0 3 320.349 1.134 20 5 DDBDHN Cc1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000758336335 700699484 /nfs/dbraw/zinc/69/94/84/700699484.db2.gz PVEFHNWFDPSHDM-GXFFZTMASA-N 0 3 318.377 1.698 20 5 DDBDHN CS[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000759277644 700744699 /nfs/dbraw/zinc/74/46/99/700744699.db2.gz HLVMYFWOYRETPI-GHMZBOCLSA-N 0 3 321.406 1.724 20 5 DDBDHN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCCCN1CCC(O)CC1 ZINC000804361143 701182036 /nfs/dbraw/zinc/18/20/36/701182036.db2.gz HCIQJDZDVIJFNL-UHFFFAOYSA-N 0 3 324.337 1.762 20 5 DDBDHN CC(COC(=O)C1CCC(OC[C@H]2CCCO2)CC1)[N+](=O)[O-] ZINC000816091365 702011245 /nfs/dbraw/zinc/01/12/45/702011245.db2.gz UBEWHLGXVUFKRI-GFJIZPEISA-N 0 3 315.366 1.949 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)[C@H]2C1 ZINC000816952048 702235313 /nfs/dbraw/zinc/23/53/13/702235313.db2.gz BEMWUXMHGRUYJB-OQPBUACISA-N 0 3 308.313 1.092 20 5 DDBDHN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813101783 702290994 /nfs/dbraw/zinc/29/09/94/702290994.db2.gz IRDXQRUDBBXPIQ-LPEHRKFASA-N 0 3 304.368 1.142 20 5 DDBDHN CC(C)CNC(=O)N1CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813105753 702293171 /nfs/dbraw/zinc/29/31/71/702293171.db2.gz UCDRRSOULKDCGI-RYUDHWBXSA-N 0 3 315.370 1.272 20 5 DDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1cccc(C)c1 ZINC000813107966 702293936 /nfs/dbraw/zinc/29/39/36/702293936.db2.gz SCMNFCDZVQHCPP-SNVBAGLBSA-N 0 3 304.306 1.706 20 5 DDBDHN CCN(CC)C(=O)N1CCC(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813108229 702294784 /nfs/dbraw/zinc/29/47/84/702294784.db2.gz WECQUNBXHXDLPU-LLVKDONJSA-N 0 3 315.370 1.369 20 5 DDBDHN Cc1ccc(C(=O)N[C@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C)cc1 ZINC000813108777 702295563 /nfs/dbraw/zinc/29/55/63/702295563.db2.gz ALNOHVROLCKLJA-OCCSQVGLSA-N 0 3 322.361 1.958 20 5 DDBDHN Cc1ccc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1F ZINC000813109426 702296474 /nfs/dbraw/zinc/29/64/74/702296474.db2.gz SBSPEKAGZWARIU-QWRGUYRKSA-N 0 3 324.308 1.695 20 5 DDBDHN CC(COC(=O)c1ccc(OCC(F)(F)F)nc1)[N+](=O)[O-] ZINC000813111444 702297427 /nfs/dbraw/zinc/29/74/27/702297427.db2.gz HIDMBRHQSJXFNF-ZETCQYMHSA-N 0 3 308.212 1.845 20 5 DDBDHN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112279 702297966 /nfs/dbraw/zinc/29/79/66/702297966.db2.gz OWMOPJZQMMQFKO-WJHWTWHCSA-N 0 3 316.379 1.453 20 5 DDBDHN O=C(CCNC[C@H](O)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000843062771 702811319 /nfs/dbraw/zinc/81/13/19/702811319.db2.gz NKLDVJRVMBRPHE-JTQLQIEISA-N 0 3 321.255 1.436 20 5 DDBDHN CC([C@H](OC(=O)c1cn(C)nn1)c1ccccc1F)[N+](=O)[O-] ZINC000845877725 703211775 /nfs/dbraw/zinc/21/17/75/703211775.db2.gz GLQQMQHCXUPDLJ-PELKAZGASA-N 0 3 308.269 1.518 20 5 DDBDHN CC(C)(C)[S@](=O)CCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819054792 704060811 /nfs/dbraw/zinc/06/08/11/704060811.db2.gz BOZXSKLQZYREFA-YEJXKQKISA-N 0 3 314.407 1.765 20 5 DDBDHN CN1C[C@@H]2CCCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000819718151 704163935 /nfs/dbraw/zinc/16/39/35/704163935.db2.gz RUTWXFMSQYHCAC-SMDDNHRTSA-N 0 3 304.350 1.343 20 5 DDBDHN CC(COC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000853128055 704201851 /nfs/dbraw/zinc/20/18/51/704201851.db2.gz XJMCGHVJBSBGEF-OPRDCNLKSA-N 0 3 302.327 1.498 20 5 DDBDHN C/C(=C/C(=O)N[C@@H](CO)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000854464397 704401814 /nfs/dbraw/zinc/40/18/14/704401814.db2.gz KCWPVELHLYUVIX-BIRHUZIMSA-N 0 3 307.350 1.037 20 5 DDBDHN CC(COC(=O)c1ccnn1CCc1ccccc1)[N+](=O)[O-] ZINC000857030154 704548176 /nfs/dbraw/zinc/54/81/76/704548176.db2.gz VCNYZZFJXBULJY-GFCCVEGCSA-N 0 3 303.318 1.948 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874839960 705195785 /nfs/dbraw/zinc/19/57/85/705195785.db2.gz YOHLHBPDTOZNQS-MNOVXSKESA-N 0 3 321.381 1.750 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874839960 705195789 /nfs/dbraw/zinc/19/57/89/705195789.db2.gz YOHLHBPDTOZNQS-MNOVXSKESA-N 0 3 321.381 1.750 20 5 DDBDHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000861342995 705435002 /nfs/dbraw/zinc/43/50/02/705435002.db2.gz FZEDVKNEXREHRF-SMDDNHRTSA-N 0 3 311.338 1.199 20 5 DDBDHN CO[C@H]1CN(C)[C@@](C)(COC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000861342992 705435145 /nfs/dbraw/zinc/43/51/45/705435145.db2.gz FZEDVKNEXREHRF-BXUZGUMPSA-N 0 3 311.338 1.199 20 5 DDBDHN COC(=O)c1ccc(-c2cnn3c2CNCC3)c([N+](=O)[O-])c1 ZINC000863716018 705994078 /nfs/dbraw/zinc/99/40/78/705994078.db2.gz LURVHMUFJMNRFQ-UHFFFAOYSA-N 0 3 302.290 1.348 20 5 DDBDHN CC(=O)c1ccc(N2CCC[C@@](O)(CN(C)C)C2)c([N+](=O)[O-])c1 ZINC000865924917 706565330 /nfs/dbraw/zinc/56/53/30/706565330.db2.gz YAUPPIMTXJTLEZ-MRXNPFEDSA-N 0 3 321.377 1.690 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](c3nccs3)C2)c1 ZINC000880318444 706939567 /nfs/dbraw/zinc/93/95/67/706939567.db2.gz ZEQFUSSTOJCZJY-CMPLNLGQSA-N 0 3 323.378 1.098 20 5 DDBDHN CC1(C)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2COC[C@@H]21 ZINC000832779264 706982110 /nfs/dbraw/zinc/98/21/10/706982110.db2.gz XRTXKDJKJWBEET-RRFJBIMHSA-N 0 3 306.362 1.985 20 5 DDBDHN CC(COC(=O)Cc1ccccc1O[C@@H]1CCOC1)[N+](=O)[O-] ZINC000835453799 707255271 /nfs/dbraw/zinc/25/52/71/707255271.db2.gz GPLWEZIAVBEZGY-DGCLKSJQSA-N 0 3 309.318 1.605 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H]2CCCN3CCO)c(F)c1 ZINC000897220527 708258685 /nfs/dbraw/zinc/25/86/85/708258685.db2.gz XCDXIFYUDIIXLQ-GJZGRUSLSA-N 0 3 309.341 1.769 20 5 DDBDHN NC(=O)c1ccc(CN2CC[C@@H]([C@@H]3CCCO3)C2)c([N+](=O)[O-])c1 ZINC000886827923 708855262 /nfs/dbraw/zinc/85/52/62/708855262.db2.gz UFWDTHKRSMIRMS-HIFRSBDPSA-N 0 3 319.361 1.695 20 5 DDBDHN COc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000928457578 713205512 /nfs/dbraw/zinc/20/55/12/713205512.db2.gz XJIMFBWRCBCTSG-MWLCHTKSSA-N 0 3 323.349 1.434 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000914325476 713378773 /nfs/dbraw/zinc/37/87/73/713378773.db2.gz LECWURGBXPVETF-BXUZGUMPSA-N 0 3 306.366 1.529 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C)C[C@H]1CC(C)C ZINC000933251079 714546983 /nfs/dbraw/zinc/54/69/83/714546983.db2.gz JJVCDCSFNCSVHN-CQSZACIVSA-N 0 3 309.414 1.762 20 5 DDBDHN CCC1(CC)CNC(=O)[C@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000933290184 714555551 /nfs/dbraw/zinc/55/55/51/714555551.db2.gz PGLPNGKWWZREKT-CQSZACIVSA-N 0 3 321.377 1.868 20 5 DDBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1cnco1 ZINC001022513650 734576615 /nfs/dbraw/zinc/57/66/15/734576615.db2.gz RXPMKEJDCGJTSU-TXEJJXNPSA-N 0 3 316.317 1.633 20 5 DDBDHN CC(C)N(C)CC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001105415330 741191148 /nfs/dbraw/zinc/19/11/48/741191148.db2.gz ONDKSDPKICTBFP-UHFFFAOYSA-N 0 3 323.397 1.225 20 5 DDBDHN O=[N+]([O-])c1ccn(C2CCN(CCO[C@H]3CCOC3)CC2)n1 ZINC001119854887 758098873 /nfs/dbraw/zinc/09/88/73/758098873.db2.gz IVFGBWXIDWQWGH-ZDUSSCGKSA-N 0 3 310.354 1.234 20 5 DDBDHN C[C@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)[C@H]1CNCCO1 ZINC001170568508 768179229 /nfs/dbraw/zinc/17/92/29/768179229.db2.gz IOMXDFURLZYDST-IINYFYTJSA-N 0 3 306.366 1.657 20 5 DDBDHN C[C@@H](Nc1ccc2nsnc2c1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170569547 768183086 /nfs/dbraw/zinc/18/30/86/768183086.db2.gz JOBMPRSXGLZGKS-XCBNKYQSSA-N 0 3 309.351 1.388 20 5 DDBDHN Cc1ncccc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001133103166 769501370 /nfs/dbraw/zinc/50/13/70/769501370.db2.gz PZNGYHSCTQZJAN-UHFFFAOYSA-N 0 3 314.345 1.818 20 5 DDBDHN COCCN1CCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173220670 777053482 /nfs/dbraw/zinc/05/34/82/777053482.db2.gz BTJQXFVHDRBTEV-CQSZACIVSA-N 0 3 307.394 1.790 20 5 DDBDHN CN(CCO)CCN(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001119659006 781552152 /nfs/dbraw/zinc/55/21/52/781552152.db2.gz IWGYPXYOBNRXLB-UHFFFAOYSA-N 0 3 315.757 1.244 20 5 DDBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)n1 ZINC001150120261 862098272 /nfs/dbraw/zinc/09/82/72/862098272.db2.gz UWVZJAYITBMNDV-OTYXRUKQSA-N 0 3 304.350 1.511 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)/C=C\C(C)(C)C ZINC001155822261 862475725 /nfs/dbraw/zinc/47/57/25/862475725.db2.gz MGWHHGXGCCVKRI-SREVYHEPSA-N 0 3 323.397 1.527 20 5 DDBDHN Cc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)nn1C ZINC001124278071 859662238 /nfs/dbraw/zinc/66/22/38/859662238.db2.gz PXLDBJPMJDUOCB-UHFFFAOYSA-N 0 3 317.349 1.156 20 5 DDBDHN Cc1ncc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC001124818333 859821263 /nfs/dbraw/zinc/82/12/63/859821263.db2.gz DDILNFMXBVOBRM-UHFFFAOYSA-N 0 3 303.322 1.146 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N[C@H]2CCN(C3CCC3)C2)c1 ZINC001161177480 859978882 /nfs/dbraw/zinc/97/88/82/859978882.db2.gz PLGUGTBNDPHOKC-VIFPVBQESA-N 0 3 312.757 1.920 20 5 DDBDHN CN1CCC(CCO)(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC001153333446 863832086 /nfs/dbraw/zinc/83/20/86/863832086.db2.gz RITYIYBRVJPMBJ-UHFFFAOYSA-N 0 3 313.379 1.233 20 5 DDBDHN C[C@@H](N)c1nc2ccccc2n1-c1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001162766510 867807375 /nfs/dbraw/zinc/80/73/75/867807375.db2.gz OVICJURLTFMRSK-SECBINFHSA-N 0 3 313.317 1.652 20 5 DDBDHN COc1ccc([N+](=O)[O-])nc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001163649583 868592194 /nfs/dbraw/zinc/59/21/94/868592194.db2.gz AKODAENYTRWLMQ-SWLSCSKDSA-N 0 3 322.365 1.712 20 5 DDBDHN N[C@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C[C@H]1F ZINC001165118526 869387707 /nfs/dbraw/zinc/38/77/07/869387707.db2.gz ICMSWAIZZQDBBM-RITPCOANSA-N 0 3 310.663 1.674 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C1CC2(CC2)C1 ZINC001166370865 869970886 /nfs/dbraw/zinc/97/08/86/869970886.db2.gz KXBGEKNQMXLAJN-UHFFFAOYSA-N 0 3 321.381 1.114 20 5 DDBDHN N[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC001340659558 871264037 /nfs/dbraw/zinc/26/40/37/871264037.db2.gz HDWDBSGBOPZFHI-IGQOVBAYSA-N 0 3 307.325 1.596 20 5 DDBDHN CCC(=O)c1ccc(N2CC(N[C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001307217767 871410727 /nfs/dbraw/zinc/41/07/27/871410727.db2.gz RJNJEKZFHMCCFR-LBPRGKRZSA-N 0 3 319.361 1.755 20 5 DDBDHN CCC(C)(C)N1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC1 ZINC001341358497 871619538 /nfs/dbraw/zinc/61/95/38/871619538.db2.gz GVMRWMHKKFXSOL-LLVKDONJSA-N 0 3 310.402 1.463 20 5 DDBDHN CC(C)CC(=O)N1CCCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC001344807980 873126506 /nfs/dbraw/zinc/12/65/06/873126506.db2.gz NAGNWAUFFOMTJS-NEPJUHHUSA-N 0 3 300.355 1.622 20 5 DDBDHN Cc1ccc(Br)c(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC001348534338 874620987 /nfs/dbraw/zinc/62/09/87/874620987.db2.gz UZAFIEFUKHZGPP-ZETCQYMHSA-N 0 3 303.112 1.975 20 5 DDBDHN CC(COC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)[N+](=O)[O-] ZINC001348533557 874620182 /nfs/dbraw/zinc/62/01/82/874620182.db2.gz LOELFJVDRPASOF-SSDOTTSWSA-N 0 3 321.255 1.599 20 5 DDBDHN CN(C)CCONC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001351001678 876009307 /nfs/dbraw/zinc/00/93/07/876009307.db2.gz UDPSZASAHVWODP-UHFFFAOYSA-N 0 3 319.264 1.419 20 5 DDBDHN C[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2N)CN2CCC1CC2 ZINC001300609005 877973631 /nfs/dbraw/zinc/97/36/31/877973631.db2.gz DATUVGCAMNLADV-HNNXBMFYSA-N 0 3 304.350 1.391 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1COCCN1CC[C@@H](OC)C1 ZINC001223107833 880833237 /nfs/dbraw/zinc/83/32/37/880833237.db2.gz OKXQYYHHFIFQNX-CQSZACIVSA-N 0 3 310.350 1.841 20 5 DDBDHN CCN1C[C@@H](C)N(c2nnc(C[N+](=O)[O-])n2CC2CC2)C[C@@H]1C ZINC001263676062 900668136 /nfs/dbraw/zinc/66/81/36/900668136.db2.gz FYMXXAPGPJEQQC-NWDGAFQWSA-N 0 3 322.413 1.384 20 5 DDBDHN CCOCC(=O)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001316627430 907426412 /nfs/dbraw/zinc/42/64/12/907426412.db2.gz XEYBLUMDCUSVEQ-MQMHXKEQSA-N 0 3 321.377 1.616 20 5 DDBDHN CCN(CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CC1 ZINC000181506018 199308236 /nfs/dbraw/zinc/30/82/36/199308236.db2.gz GWDLTOJGENCSQT-UHFFFAOYSA-N 0 3 321.333 1.538 20 5 DDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000299536852 530062029 /nfs/dbraw/zinc/06/20/29/530062029.db2.gz UMPSGJMTUYRJJO-HNNXBMFYSA-N 0 3 318.377 1.338 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000294155092 282362652 /nfs/dbraw/zinc/36/26/52/282362652.db2.gz NRNGRPJOVWPALH-HNNXBMFYSA-N 0 3 321.381 1.438 20 5 DDBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)ccc1CN(C)C ZINC000458272472 232319662 /nfs/dbraw/zinc/31/96/62/232319662.db2.gz WDVPVIZRBYTQQO-UHFFFAOYSA-N 0 3 303.322 1.940 20 5 DDBDHN CNc1ccc(C(=O)N2CCC[C@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000315158746 290808655 /nfs/dbraw/zinc/80/86/55/290808655.db2.gz FQUPOAFZZGPIJQ-LBPRGKRZSA-N 0 3 306.366 1.803 20 5 DDBDHN CC1(C)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000279755241 215119250 /nfs/dbraw/zinc/11/92/50/215119250.db2.gz LUQYLYLCXHMVLE-RISCZKNCSA-N 0 3 310.350 1.037 20 5 DDBDHN C[C@@H]1NC(=O)N(CCN(C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000459427956 233187260 /nfs/dbraw/zinc/18/72/60/233187260.db2.gz AMEBRLFUXHFBCT-NSHDSACASA-N 0 3 320.349 1.009 20 5 DDBDHN Cc1[nH]nc(C(=O)Nc2ccc(CN(C)C)cc2)c1[N+](=O)[O-] ZINC000064354596 352935555 /nfs/dbraw/zinc/93/55/55/352935555.db2.gz NHPVTKCUMHOWLN-UHFFFAOYSA-N 0 3 303.322 1.940 20 5 DDBDHN COCCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000069502306 353164184 /nfs/dbraw/zinc/16/41/84/353164184.db2.gz NQAFUKCBSYIPOU-AWEZNQCLSA-N 0 3 321.377 1.744 20 5 DDBDHN O=C1C[C@@]2(CN1)CCCN(CCOc1ccccc1[N+](=O)[O-])C2 ZINC000072829605 353218649 /nfs/dbraw/zinc/21/86/49/353218649.db2.gz LPDRYUVCIAXNGD-MRXNPFEDSA-N 0 3 319.361 1.576 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000072578248 353202854 /nfs/dbraw/zinc/20/28/54/353202854.db2.gz HAULTVOPEKZBFP-GXTWGEPZSA-N 0 3 305.338 1.317 20 5 DDBDHN CNC(=O)c1ccc(N2CC[C@H]3CC[C@@H](C2)N3C)c([N+](=O)[O-])c1 ZINC000075061409 353345741 /nfs/dbraw/zinc/34/57/41/353345741.db2.gz SEXLDGIQFPNOHE-OLZOCXBDSA-N 0 3 318.377 1.627 20 5 DDBDHN COC(=O)[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000280495755 354422766 /nfs/dbraw/zinc/42/27/66/354422766.db2.gz BQWITFKBOJJBGR-VXGBXAGGSA-N 0 3 308.334 1.715 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)C[C@H](C)[NH3+] ZINC000319990580 354524156 /nfs/dbraw/zinc/52/41/56/354524156.db2.gz AEWBVOBGLPSXRO-DTWKUNHWSA-N 0 3 317.367 1.008 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000588863063 354944308 /nfs/dbraw/zinc/94/43/08/354944308.db2.gz OOFINFKFHLTVEX-ZIAGYGMSSA-N 0 3 319.361 1.184 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000588863059 354944478 /nfs/dbraw/zinc/94/44/78/354944478.db2.gz OOFINFKFHLTVEX-KBPBESRZSA-N 0 3 319.361 1.184 20 5 DDBDHN CN1C[C@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC000590012855 355041805 /nfs/dbraw/zinc/04/18/05/355041805.db2.gz ZWWMMEGCKZHOJH-QMTHXVAHSA-N 0 3 301.350 1.607 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590972412 355227413 /nfs/dbraw/zinc/22/74/13/355227413.db2.gz QUANIECLBTVHRC-XPKDYRNWSA-N 0 3 322.361 1.445 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@H](O)[C@@H](CO)C2)cc1 ZINC000591054806 355238603 /nfs/dbraw/zinc/23/86/03/355238603.db2.gz DNSXFDCRCPXOCS-DOMZBBRYSA-N 0 3 310.350 1.039 20 5 DDBDHN C[C@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000591433896 355310286 /nfs/dbraw/zinc/31/02/86/355310286.db2.gz HNDNGGKRFUIHHW-YUMQZZPRSA-N 0 3 319.408 1.246 20 5 DDBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[C@H](F)CN1 ZINC000591686028 355362441 /nfs/dbraw/zinc/36/24/41/355362441.db2.gz MDWPPTAGZLMZQY-UWVGGRQHSA-N 0 3 313.354 1.503 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C)[C@H]2CCOC2)c1 ZINC000593024622 355772784 /nfs/dbraw/zinc/77/27/84/355772784.db2.gz OVFWNASGSVDUHA-PWSUYJOCSA-N 0 3 308.334 1.896 20 5 DDBDHN NC1(C(=O)N2CCc3c2cccc3[N+](=O)[O-])Cc2ccccc2C1 ZINC000592953517 355749932 /nfs/dbraw/zinc/74/99/32/355749932.db2.gz UXNVBTURVQXIOH-UHFFFAOYSA-N 0 3 323.352 1.980 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)n1 ZINC000594198108 356137166 /nfs/dbraw/zinc/13/71/66/356137166.db2.gz RXLMSIDMLHIFIY-VXGBXAGGSA-N 0 3 321.381 1.558 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H]1CCS(=O)(=O)C1 ZINC000594489823 356236085 /nfs/dbraw/zinc/23/60/85/356236085.db2.gz FDZWDKHFPJWBPJ-GWCFXTLKSA-N 0 3 310.375 1.606 20 5 DDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594419787 356204773 /nfs/dbraw/zinc/20/47/73/356204773.db2.gz RLEVQTSVLOLULK-QWHCGFSZSA-N 0 3 318.377 1.924 20 5 DDBDHN C[C@H](NC(=O)N[C@H](CN)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000594524932 356243320 /nfs/dbraw/zinc/24/33/20/356243320.db2.gz NQKPAUOFJWAZCY-OIBJUYFYSA-N 0 3 320.271 1.845 20 5 DDBDHN CS[C@@H]1CN(Cc2onc(C)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000595403929 356480889 /nfs/dbraw/zinc/48/08/89/356480889.db2.gz NHAPSZBTMISFLL-MWLCHTKSSA-N 0 3 300.384 1.369 20 5 DDBDHN Cc1noc(CN2CCN([C@@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000595370763 356468053 /nfs/dbraw/zinc/46/80/53/356468053.db2.gz JFLYPOQYSKVLTK-CYBMUJFWSA-N 0 3 323.397 1.103 20 5 DDBDHN O=C1CC[C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000595744234 356632652 /nfs/dbraw/zinc/63/26/52/356632652.db2.gz UUBOYUKBTWJOIP-WFASDCNBSA-N 0 3 319.361 1.574 20 5 DDBDHN NC(=O)c1cc(N2CC[C@@H](N3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000596139086 356788416 /nfs/dbraw/zinc/78/84/16/356788416.db2.gz BELYAKYNOWYGHC-GFCCVEGCSA-N 0 3 302.334 1.144 20 5 DDBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1N(C)C ZINC000596176616 356803293 /nfs/dbraw/zinc/80/32/93/356803293.db2.gz CPMGULUYUJGDBS-QWHCGFSZSA-N 0 3 324.406 1.176 20 5 DDBDHN C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1C ZINC000596137024 356787452 /nfs/dbraw/zinc/78/74/52/356787452.db2.gz OCOUWMXJLSARGC-CMPLNLGQSA-N 0 3 306.366 1.613 20 5 DDBDHN O=[N+]([O-])c1ncccc1N1CCC(N2CCCOCC2)CC1 ZINC000596268206 356838856 /nfs/dbraw/zinc/83/88/56/356838856.db2.gz HVUCNCLCANUBBY-UHFFFAOYSA-N 0 3 306.366 1.681 20 5 DDBDHN CO[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000276905954 213166663 /nfs/dbraw/zinc/16/66/63/213166663.db2.gz PMXJPOIFQHZNMA-OKILXGFUSA-N 0 3 323.349 1.269 20 5 DDBDHN CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@H]1CCN(CC)C1 ZINC000598040097 357438911 /nfs/dbraw/zinc/43/89/11/357438911.db2.gz CHALXWZIIYPPOU-ZDUSSCGKSA-N 0 3 323.397 1.433 20 5 DDBDHN Cc1n[nH]c(C(=O)N[C@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598262871 357512882 /nfs/dbraw/zinc/51/28/82/357512882.db2.gz NAZJIEDOJZKWDH-SNVBAGLBSA-N 0 3 309.370 1.477 20 5 DDBDHN Cc1cc(OCC(=O)N2CCN[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000598572027 357636865 /nfs/dbraw/zinc/63/68/65/357636865.db2.gz KEZONAJSWUEUTH-CQSZACIVSA-N 0 3 321.377 1.738 20 5 DDBDHN Cc1c(CC(=O)N2CC[C@]3(CCN(C)C3)C2)cccc1[N+](=O)[O-] ZINC000292357878 223018164 /nfs/dbraw/zinc/01/81/64/223018164.db2.gz VYFLCCZGTOQTFB-KRWDZBQOSA-N 0 3 317.389 2.000 20 5 DDBDHN C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[NH2+]1 ZINC000599105762 357817417 /nfs/dbraw/zinc/81/74/17/357817417.db2.gz QBKRMRVODVZMOU-SFYZADRCSA-N 0 3 305.381 1.075 20 5 DDBDHN CS(=O)(=O)CCCCCNCc1csc([N+](=O)[O-])c1 ZINC000185208103 199825213 /nfs/dbraw/zinc/82/52/13/199825213.db2.gz WUJRBLMPOWDBKD-UHFFFAOYSA-N 0 3 306.409 1.961 20 5 DDBDHN CCOc1ccc([C@@H](C)NC[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC000600710234 358290622 /nfs/dbraw/zinc/29/06/22/358290622.db2.gz MUAJAHXTJXTOAZ-DGCLKSJQSA-N 0 3 309.366 1.633 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(CCN(C)C)c1 ZINC000600882782 358338158 /nfs/dbraw/zinc/33/81/58/358338158.db2.gz DDTJHKCKJSJTRP-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@](C)(CO)c1ccccc1 ZINC000602775654 359182621 /nfs/dbraw/zinc/18/26/21/359182621.db2.gz LODLMNCJQIEJJQ-HNNXBMFYSA-N 0 3 304.350 1.597 20 5 DDBDHN C[C@H]1OCC[C@H]1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602768330 359176722 /nfs/dbraw/zinc/17/67/22/359176722.db2.gz UHDMBIHWGHSDAN-OLZOCXBDSA-N 0 3 306.366 1.537 20 5 DDBDHN CCN1[C@H](C)CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000602875344 359258258 /nfs/dbraw/zinc/25/82/58/359258258.db2.gz ZRSSMSQEZWKGPP-BETUJISGSA-N 0 3 308.382 1.171 20 5 DDBDHN Cc1ccsc1[C@@H](CO)NCCn1c(C)ncc1[N+](=O)[O-] ZINC000602810166 359206679 /nfs/dbraw/zinc/20/66/79/359206679.db2.gz FFHSELRJPAJPAP-LLVKDONJSA-N 0 3 310.379 1.793 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H]1CCCn2nccc21 ZINC000603028643 359369679 /nfs/dbraw/zinc/36/96/79/359369679.db2.gz DQLDYKYCUWNPEQ-LBPRGKRZSA-N 0 3 303.322 1.078 20 5 DDBDHN COc1ccc(OCCN(C)CC2(CO)CC2)c([N+](=O)[O-])c1 ZINC000186821652 200017531 /nfs/dbraw/zinc/01/75/31/200017531.db2.gz CSBDKQXHIACPMV-UHFFFAOYSA-N 0 3 310.350 1.687 20 5 DDBDHN C[C@H]1C[C@@H](O)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000292409448 223059156 /nfs/dbraw/zinc/05/91/56/223059156.db2.gz LYRKFBACEFYWAR-UBHSHLNASA-N 0 3 310.350 1.180 20 5 DDBDHN Cc1nn(C)c(N2CCCN(C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000610489225 360449368 /nfs/dbraw/zinc/44/93/68/360449368.db2.gz QUCGXBYJTQTJEI-ZDUSSCGKSA-N 0 3 323.397 1.328 20 5 DDBDHN CN(CC(=O)NCC1=CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000271930814 209332924 /nfs/dbraw/zinc/33/29/24/209332924.db2.gz VDLWYIJKCTUYTC-UHFFFAOYSA-N 0 3 318.377 1.409 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@](C)(O)CN(C)C ZINC000093241632 193220823 /nfs/dbraw/zinc/22/08/23/193220823.db2.gz MPGACTBRHXRPGD-INIZCTEOSA-N 0 3 323.393 1.562 20 5 DDBDHN CCN1CCCC[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000264757883 204133994 /nfs/dbraw/zinc/13/39/94/204133994.db2.gz TYWZJGXZSHAIFF-CYBMUJFWSA-N 0 3 321.377 1.964 20 5 DDBDHN C[C@H]([NH2+]CCCOC([O-])=NC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000271728269 209161292 /nfs/dbraw/zinc/16/12/92/209161292.db2.gz YBWYDDASNTWPTM-VIFPVBQESA-N 0 3 310.310 1.440 20 5 DDBDHN C[C@H]([NH2+]CCCOC(=O)N=C(N)[O-])c1cccc([N+](=O)[O-])c1 ZINC000271728269 209161295 /nfs/dbraw/zinc/16/12/95/209161295.db2.gz YBWYDDASNTWPTM-VIFPVBQESA-N 0 3 310.310 1.440 20 5 DDBDHN C[C@@H](NCC1(OCCO)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000282728162 217205715 /nfs/dbraw/zinc/20/57/15/217205715.db2.gz MJWIPSOJMNDENV-CYBMUJFWSA-N 0 3 324.377 1.804 20 5 DDBDHN CCN1CCN(CCCNc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000266214865 205188728 /nfs/dbraw/zinc/18/87/28/205188728.db2.gz OFFCZZUMUAQWKF-UHFFFAOYSA-N 0 3 307.398 1.738 20 5 DDBDHN C[C@]1(CO)CCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000351523501 284361013 /nfs/dbraw/zinc/36/10/13/284361013.db2.gz LVRGDMVLICARAH-DZGCQCFKSA-N 0 3 307.350 1.334 20 5 DDBDHN CN(C)C[C@H]1CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000267455384 206078165 /nfs/dbraw/zinc/07/81/65/206078165.db2.gz GKHJLOPPLPLRDA-GFCCVEGCSA-N 0 3 306.366 1.559 20 5 DDBDHN C[C@@H](O)CN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000284350126 217990541 /nfs/dbraw/zinc/99/05/41/217990541.db2.gz MFSPIUBWGDDFOX-SJKUQHEZSA-N 0 3 319.405 1.995 20 5 DDBDHN Cc1ccc(CN2CCN(C[C@@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000284432076 218025340 /nfs/dbraw/zinc/02/53/40/218025340.db2.gz SBADETLVKFJRMB-ZIAGYGMSSA-N 0 3 307.394 1.790 20 5 DDBDHN C[N@H+](CCCOC([O-])=NC(N)=O)CCc1ccccc1[N+](=O)[O-] ZINC000285182789 218323228 /nfs/dbraw/zinc/32/32/28/218323228.db2.gz BXHYDBGPJFJIOB-UHFFFAOYSA-N 0 3 324.337 1.264 20 5 DDBDHN C[N@@H+](CCCOC([O-])=NC(N)=O)CCc1ccccc1[N+](=O)[O-] ZINC000285182789 218323229 /nfs/dbraw/zinc/32/32/29/218323229.db2.gz BXHYDBGPJFJIOB-UHFFFAOYSA-N 0 3 324.337 1.264 20 5 DDBDHN C[N@H+](CCCOC(=O)N=C(N)[O-])CCc1ccccc1[N+](=O)[O-] ZINC000285182789 218323231 /nfs/dbraw/zinc/32/32/31/218323231.db2.gz BXHYDBGPJFJIOB-UHFFFAOYSA-N 0 3 324.337 1.264 20 5 DDBDHN C[N@@H+](CCCOC(=O)N=C(N)[O-])CCc1ccccc1[N+](=O)[O-] ZINC000285182789 218323232 /nfs/dbraw/zinc/32/32/32/218323232.db2.gz BXHYDBGPJFJIOB-UHFFFAOYSA-N 0 3 324.337 1.264 20 5 DDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](N(C)C)C1 ZINC000109809734 194287583 /nfs/dbraw/zinc/28/75/83/194287583.db2.gz OGQIRIHORVTNAE-OLZOCXBDSA-N 0 3 320.393 1.948 20 5 DDBDHN Cc1ccc([C@H](C)NC[C@@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000268847711 207014683 /nfs/dbraw/zinc/01/46/83/207014683.db2.gz BQBWEFGGCYOTGC-DZGCQCFKSA-N 0 3 306.410 1.800 20 5 DDBDHN O=C(CNC[C@@H]1CCCO1)NCCc1ccccc1[N+](=O)[O-] ZINC000269208544 207328011 /nfs/dbraw/zinc/32/80/11/207328011.db2.gz FXTJDZLQYAPXGH-ZDUSSCGKSA-N 0 3 307.350 1.022 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000119661289 195012011 /nfs/dbraw/zinc/01/20/11/195012011.db2.gz UPSUEYMETZPXJQ-JTQLQIEISA-N 0 3 307.354 1.075 20 5 DDBDHN COCCOC[C@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000294887104 224286337 /nfs/dbraw/zinc/28/63/37/224286337.db2.gz CQZMAJFVUMBAGI-GXTWGEPZSA-N 0 3 312.366 1.578 20 5 DDBDHN Cc1cnn([C@H]2CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000289843490 221264794 /nfs/dbraw/zinc/26/47/94/221264794.db2.gz KFXMEEWSOOKIJT-ZDUSSCGKSA-N 0 3 317.349 1.208 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN[C@H](C)C1 ZINC000420343485 533227661 /nfs/dbraw/zinc/22/76/61/533227661.db2.gz ZKCNGBBHTDJSOM-MNOVXSKESA-N 0 3 322.365 1.224 20 5 DDBDHN CN(C)C[C@H]1CCCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000078454948 407028771 /nfs/dbraw/zinc/02/87/71/407028771.db2.gz DUNDOKHTYCIGSM-CYBMUJFWSA-N 0 3 320.393 1.949 20 5 DDBDHN CCN1CCC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000052522635 407150934 /nfs/dbraw/zinc/15/09/34/407150934.db2.gz BPSBCYFCVHBNSC-CYBMUJFWSA-N 0 3 306.366 1.878 20 5 DDBDHN COCCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000054353620 407183678 /nfs/dbraw/zinc/18/36/78/407183678.db2.gz KHZGPLAUPTUWGV-UHFFFAOYSA-N 0 3 311.338 1.510 20 5 DDBDHN CCN(CCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000101957204 407318137 /nfs/dbraw/zinc/31/81/37/407318137.db2.gz CTUYVWJVQKKVQV-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN C[C@H]1C[C@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000123324008 407325727 /nfs/dbraw/zinc/32/57/27/407325727.db2.gz QWGILHCXAKEIEZ-QWHCGFSZSA-N 0 3 321.377 1.915 20 5 DDBDHN CN(C)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccsc1 ZINC000270978317 407448061 /nfs/dbraw/zinc/44/80/61/407448061.db2.gz ILIGBWHJUZJLIU-SECBINFHSA-N 0 3 309.351 1.412 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCNC[C@@H]2c2cccc(F)c2)n1 ZINC000261694043 407582009 /nfs/dbraw/zinc/58/20/09/407582009.db2.gz JDKBXOKYJMGCRM-CQSZACIVSA-N 0 3 319.340 1.577 20 5 DDBDHN CCCN1CCC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000128942255 407585080 /nfs/dbraw/zinc/58/50/80/407585080.db2.gz CVXOKHYUZUHOFG-OAHLLOKOSA-N 0 3 320.393 1.997 20 5 DDBDHN C[NH2+][C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261564490 407545139 /nfs/dbraw/zinc/54/51/39/407545139.db2.gz CSJBZJOIASOXES-ZETCQYMHSA-N 0 3 307.759 1.134 20 5 DDBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000152884135 407709187 /nfs/dbraw/zinc/70/91/87/407709187.db2.gz PCXCMRBCEKRBLI-CYBMUJFWSA-N 0 3 315.757 1.291 20 5 DDBDHN CN(C)[C@]1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCSC1 ZINC000267107039 407749628 /nfs/dbraw/zinc/74/96/28/407749628.db2.gz MGPYDMAVVQLRDU-HNNXBMFYSA-N 0 3 323.418 1.691 20 5 DDBDHN CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC000153582331 407855053 /nfs/dbraw/zinc/85/50/53/407855053.db2.gz AZTAFLKBERKPEJ-ZDUSSCGKSA-N 0 3 307.350 1.526 20 5 DDBDHN O=C(NCCCNCc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000238048825 407878226 /nfs/dbraw/zinc/87/82/26/407878226.db2.gz KYDYZTKJBNUSDI-UHFFFAOYSA-N 0 3 314.345 1.900 20 5 DDBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H](N2CCCCCC2)C1 ZINC000153689668 407881313 /nfs/dbraw/zinc/88/13/13/407881313.db2.gz DGIXUTHQSRTRDQ-LBPRGKRZSA-N 0 3 321.381 1.799 20 5 DDBDHN COc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272544376 407974638 /nfs/dbraw/zinc/97/46/38/407974638.db2.gz CJDIWVPGXCXKDV-SMDDNHRTSA-N 0 3 319.361 1.770 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268261565 407976933 /nfs/dbraw/zinc/97/69/33/407976933.db2.gz ZJLIJBMCKPXAKK-KWQFWETISA-N 0 3 307.354 1.093 20 5 DDBDHN C[C@H](C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000272554502 407978753 /nfs/dbraw/zinc/97/87/53/407978753.db2.gz PCLGCJPKBBZFDS-SECBINFHSA-N 0 3 301.293 1.753 20 5 DDBDHN COCCN1CCC[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180754474 407915947 /nfs/dbraw/zinc/91/59/47/407915947.db2.gz JADLIZKSOJGVFY-LLVKDONJSA-N 0 3 322.365 1.018 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000268151148 407916145 /nfs/dbraw/zinc/91/61/45/407916145.db2.gz UQUPASLZXMTSEW-NHYWBVRUSA-N 0 3 318.377 1.877 20 5 DDBDHN C[C@@H]1CCC[C@@H](CO)N1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000136171045 408085869 /nfs/dbraw/zinc/08/58/69/408085869.db2.gz KNVDZKVPTDSYKV-SNPRPXQTSA-N 0 3 324.377 1.570 20 5 DDBDHN C[C@@H](O)CN1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000189564110 408054251 /nfs/dbraw/zinc/05/42/51/408054251.db2.gz ICOIXYYZYNDWIM-UONOGXRCSA-N 0 3 323.393 1.361 20 5 DDBDHN COCCCN(C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000175976555 408255708 /nfs/dbraw/zinc/25/57/08/408255708.db2.gz SOPQTBKZVDYAAX-UHFFFAOYSA-N 0 3 324.381 1.362 20 5 DDBDHN CC(C)C[C@H](N)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169186146 162184110 /nfs/dbraw/zinc/18/41/10/162184110.db2.gz BPRANURBPAWRMW-YPMHNXCESA-N 0 3 321.381 1.376 20 5 DDBDHN CN1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000247268351 408441924 /nfs/dbraw/zinc/44/19/24/408441924.db2.gz KGDKJGXCIKJHIH-BXUZGUMPSA-N 0 3 315.333 1.493 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1NC1CCN(CCN(C)C)CC1 ZINC000264466134 408501945 /nfs/dbraw/zinc/50/19/45/408501945.db2.gz LTOQTOIDIXUMRV-UHFFFAOYSA-N 0 3 307.398 1.736 20 5 DDBDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000160698705 408514992 /nfs/dbraw/zinc/51/49/92/408514992.db2.gz JFGADVHGDPMOIU-CQSZACIVSA-N 0 3 307.350 1.171 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000247447304 408472017 /nfs/dbraw/zinc/47/20/17/408472017.db2.gz SLOBQXYPNJDLHK-ZYHUDNBSSA-N 0 3 323.397 1.729 20 5 DDBDHN CN(C)[C@@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000264404746 408477698 /nfs/dbraw/zinc/47/76/98/408477698.db2.gz KIYYIJRJRSKKGL-GFCCVEGCSA-N 0 3 307.350 1.526 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177162558 408539609 /nfs/dbraw/zinc/53/96/09/408539609.db2.gz GXZLDTRBHQKFAE-KOLCDFICSA-N 0 3 304.350 1.653 20 5 DDBDHN O=C1CCCN1[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000270825155 408696575 /nfs/dbraw/zinc/69/65/75/408696575.db2.gz BVTCILMYXHEHCC-HNNXBMFYSA-N 0 3 303.362 1.834 20 5 DDBDHN CN1CC[C@]2(CCN(C(=O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292111182 408981918 /nfs/dbraw/zinc/98/19/18/408981918.db2.gz FVUZRMLNNBOQGI-INIZCTEOSA-N 0 3 319.361 1.528 20 5 DDBDHN CN1CCN(C)[C@@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278156566 409074658 /nfs/dbraw/zinc/07/46/58/409074658.db2.gz AACLIJJOPTYDTL-NSHDSACASA-N 0 3 304.354 1.129 20 5 DDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)N(C)C1CC1 ZINC000279311300 409190156 /nfs/dbraw/zinc/19/01/56/409190156.db2.gz AVQBEAIVROXNKN-MRVPVSSYSA-N 0 3 310.329 1.529 20 5 DDBDHN COC[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000279046004 409138173 /nfs/dbraw/zinc/13/81/73/409138173.db2.gz JXKYMGWNARTYRY-RRFJBIMHSA-N 0 3 310.350 1.412 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000288109027 409147007 /nfs/dbraw/zinc/14/70/07/409147007.db2.gz VIKRSGQSBSJTDC-LBPRGKRZSA-N 0 3 308.382 1.729 20 5 DDBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C1CCCCC1 ZINC000285402361 409432591 /nfs/dbraw/zinc/43/25/91/409432591.db2.gz AZYURMDSAWRJQK-UHFFFAOYSA-N 0 3 309.370 1.654 20 5 DDBDHN CCOC1CC2(C1)CCN(CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000285575439 409494287 /nfs/dbraw/zinc/49/42/87/409494287.db2.gz UTAMFORJZHXKHC-UHFFFAOYSA-N 0 3 321.377 1.648 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000342474121 409664519 /nfs/dbraw/zinc/66/45/19/409664519.db2.gz NKYCPKNBIQTKAA-OTYXRUKQSA-N 0 3 307.325 1.946 20 5 DDBDHN CN1CCC(CCO)(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000354141419 409689686 /nfs/dbraw/zinc/68/96/86/409689686.db2.gz DJDDJHFNFKJPOI-UHFFFAOYSA-N 0 3 321.377 1.100 20 5 DDBDHN C[C@H](C(=O)NC[C@@](C)(O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000320158951 409903208 /nfs/dbraw/zinc/90/32/08/409903208.db2.gz HUSLGYJJHFGRMD-XHDPSFHLSA-N 0 3 309.366 1.127 20 5 DDBDHN C[C@H](CO)N1CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000346689213 410085756 /nfs/dbraw/zinc/08/57/56/410085756.db2.gz PRGSEHPLZGKLQR-GFCCVEGCSA-N 0 3 311.357 1.622 20 5 DDBDHN CC(C)[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CCN1C ZINC000343206878 410236543 /nfs/dbraw/zinc/23/65/43/410236543.db2.gz OOKWTTDBELCMQW-ZDUSSCGKSA-N 0 3 306.366 1.470 20 5 DDBDHN C[C@H]1CCNC(=O)[C@H]1NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298551618 410287656 /nfs/dbraw/zinc/28/76/56/410287656.db2.gz OFMXMHAFWFRBID-HZMBPMFUSA-N 0 3 320.349 1.038 20 5 DDBDHN C[C@H]1[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCCN1C ZINC000343427195 410442524 /nfs/dbraw/zinc/44/25/24/410442524.db2.gz DQVDDGJGHLUTHY-CMPLNLGQSA-N 0 3 309.370 1.125 20 5 DDBDHN CN1CCC[C@H](N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)C1 ZINC000301309227 410695075 /nfs/dbraw/zinc/69/50/75/410695075.db2.gz XHLYPROGQZVDKQ-AWEZNQCLSA-N 0 3 322.384 1.950 20 5 DDBDHN CCN1CCCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301566730 410747608 /nfs/dbraw/zinc/74/76/08/410747608.db2.gz ZKGKPHCWPXXRSA-UHFFFAOYSA-N 0 3 317.349 1.776 20 5 DDBDHN CC(C)N1CCC(N(C)C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000330578380 410794262 /nfs/dbraw/zinc/79/42/62/410794262.db2.gz RXZWFJXSPLCBPR-UHFFFAOYSA-N 0 3 309.370 1.273 20 5 DDBDHN NC(C(=O)NCCNc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000353122566 410798179 /nfs/dbraw/zinc/79/81/79/410798179.db2.gz ASDMSNQNRZCPIG-SECBINFHSA-N 0 3 306.244 1.013 20 5 DDBDHN O=C(NCc1ccccc1[N+](=O)[O-])N1CCN2CCC1CC2 ZINC000341203828 410934649 /nfs/dbraw/zinc/93/46/49/410934649.db2.gz HZRBBUKIAUNHKL-UHFFFAOYSA-N 0 3 304.350 1.584 20 5 DDBDHN COc1cnccc1N1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000360241492 411110704 /nfs/dbraw/zinc/11/07/04/411110704.db2.gz JPZXKHRMMDSKFJ-UHFFFAOYSA-N 0 3 316.321 1.115 20 5 DDBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000134271186 196375595 /nfs/dbraw/zinc/37/55/95/196375595.db2.gz COLRQIFGSIYDDW-UHFFFAOYSA-N 0 3 317.349 1.522 20 5 DDBDHN CN1CC[C@@](O)(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000358038654 299054483 /nfs/dbraw/zinc/05/44/83/299054483.db2.gz BONMIRGURBLDBF-OAHLLOKOSA-N 0 3 319.317 1.137 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](OCCN(C)C)C1 ZINC000361047003 418572743 /nfs/dbraw/zinc/57/27/43/418572743.db2.gz UZYUOAINGCQKQE-LBPRGKRZSA-N 0 3 311.386 1.277 20 5 DDBDHN CNc1c(C(=O)NC2CCN(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000361117485 418586864 /nfs/dbraw/zinc/58/68/64/418586864.db2.gz KLDOEBIPVPQEEZ-UHFFFAOYSA-N 0 3 318.377 1.993 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000375038641 418593624 /nfs/dbraw/zinc/59/36/24/418593624.db2.gz MAZJASZGVMQJJD-IUODEOHRSA-N 0 3 319.361 1.526 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCCN([C@@H](C)CO)CC1 ZINC000375502218 418651628 /nfs/dbraw/zinc/65/16/28/418651628.db2.gz RFOYOUUEHFERSA-ZDUSSCGKSA-N 0 3 323.393 1.492 20 5 DDBDHN O=C1NCCN1[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000361308678 418622278 /nfs/dbraw/zinc/62/22/78/418622278.db2.gz DYLLQWYWBLULBO-HNNXBMFYSA-N 0 3 318.377 1.627 20 5 DDBDHN C[NH+](C)[C@H](C[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000359495698 418656045 /nfs/dbraw/zinc/65/60/45/418656045.db2.gz LECIJNKMZSMRQE-CYBMUJFWSA-N 0 3 317.349 2.397 20 5 DDBDHN CC[C@@H]1[C@@H](CO)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000385849877 418738078 /nfs/dbraw/zinc/73/80/78/418738078.db2.gz XKTKIJCYDLWFLX-CHWSQXEVSA-N 0 3 307.350 1.287 20 5 DDBDHN COc1cc(N2CCCN([C@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000364954102 418827839 /nfs/dbraw/zinc/82/78/39/418827839.db2.gz JLGDKYDOJOHHQG-GFCCVEGCSA-N 0 3 309.366 1.496 20 5 DDBDHN CN1CC[C@H](CNc2ncc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000364961222 418828416 /nfs/dbraw/zinc/82/84/16/418828416.db2.gz YAOHNDLEYFUKHU-MFKMUULPSA-N 0 3 319.390 2.551 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC12CCN(C)CC2 ZINC000372442231 418870952 /nfs/dbraw/zinc/87/09/52/418870952.db2.gz KHMNPKFXZGGDKR-UHFFFAOYSA-N 0 3 318.377 1.999 20 5 DDBDHN O=C1NC[C@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])CC[C@H]12 ZINC000365655248 418889990 /nfs/dbraw/zinc/88/99/90/418889990.db2.gz IHTQXHIZRLQKBK-RDJPRVRMSA-N 0 3 301.346 1.676 20 5 DDBDHN COc1ccc(NC(=O)CCN2C[C@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411420301 418903182 /nfs/dbraw/zinc/90/31/82/418903182.db2.gz JIUDIBBQMPHMIF-WDEREUQCSA-N 0 3 323.349 1.387 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](N)Cc3ccccc32)n1 ZINC000424082550 228226025 /nfs/dbraw/zinc/22/60/25/228226025.db2.gz WGNMQYCGCYZSPF-LLVKDONJSA-N 0 3 315.333 1.341 20 5 DDBDHN Cc1ccc(CNCCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000424171656 228240399 /nfs/dbraw/zinc/24/03/99/228240399.db2.gz MKABDIRCPPVFJH-UHFFFAOYSA-N 0 3 300.380 1.818 20 5 DDBDHN C[C@H]1NCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000417931716 419395331 /nfs/dbraw/zinc/39/53/31/419395331.db2.gz CERXWWVYFLVHCQ-NEPJUHHUSA-N 0 3 306.366 1.529 20 5 DDBDHN C[C@@H]1C[C@@H](CO)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000420929417 419362517 /nfs/dbraw/zinc/36/25/17/419362517.db2.gz BJNRJJAFFNBGPT-MCIONIFRSA-N 0 3 324.377 1.285 20 5 DDBDHN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1cccs1 ZINC000298759948 228745091 /nfs/dbraw/zinc/74/50/91/228745091.db2.gz ZRYIQEUEQSYYFV-QMMMGPOBSA-N 0 3 308.367 1.743 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@@H](C)CCCC[NH3+])c([N+](=O)[O-])c1 ZINC000427949387 419774927 /nfs/dbraw/zinc/77/49/27/419774927.db2.gz JQXSVIILOGLVAR-NSHDSACASA-N 0 3 315.395 1.699 20 5 DDBDHN C[C@@H]1C[C@H]1N1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000429005576 419961575 /nfs/dbraw/zinc/96/15/75/419961575.db2.gz MNMRJNRJCPYETF-JHJVBQTASA-N 0 3 307.398 1.490 20 5 DDBDHN CN(C)C[C@H](O)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433124555 420249369 /nfs/dbraw/zinc/24/93/69/420249369.db2.gz DFUFHWRUKBKWQV-DOMZBBRYSA-N 0 3 307.394 1.829 20 5 DDBDHN CCCCN(C)CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000433747632 420253967 /nfs/dbraw/zinc/25/39/67/420253967.db2.gz GKIPYPPXVQLXGL-UHFFFAOYSA-N 0 3 311.386 1.903 20 5 DDBDHN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000420458844 420301270 /nfs/dbraw/zinc/30/12/70/420301270.db2.gz CSLKUJOHTQMPBQ-JTQLQIEISA-N 0 3 301.368 1.227 20 5 DDBDHN Cc1cc(S(=O)(=O)NC[C@@H]2CCN(C)C2)ccc1[N+](=O)[O-] ZINC000416496928 420394605 /nfs/dbraw/zinc/39/46/05/420394605.db2.gz RJGVDSLQRXMUDW-NSHDSACASA-N 0 3 313.379 1.133 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000493157644 420771932 /nfs/dbraw/zinc/77/19/32/420771932.db2.gz OLPNVXGBMRMFLU-CUCMZFDFSA-N 0 3 301.346 1.771 20 5 DDBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NC[C@H](O)C(F)(F)F)n1 ZINC000447529594 420778349 /nfs/dbraw/zinc/77/83/49/420778349.db2.gz MDGYKSZSNPVGNU-BBBLOLIVSA-N 0 3 322.287 1.788 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H](CO)c1ccnn1C ZINC000459719050 420856148 /nfs/dbraw/zinc/85/61/48/420856148.db2.gz RROHWKLXCMXSCC-WCQYABFASA-N 0 3 304.350 1.583 20 5 DDBDHN CN(C)CCCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448562847 420862516 /nfs/dbraw/zinc/86/25/16/420862516.db2.gz LYXCTPYTPSXCBU-UHFFFAOYSA-N 0 3 307.350 1.626 20 5 DDBDHN O=C(N[C@@H]1CNCCC1(F)F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000449667183 421053032 /nfs/dbraw/zinc/05/30/32/421053032.db2.gz QQOHEDNYYBAZDV-SNVBAGLBSA-N 0 3 303.240 1.461 20 5 DDBDHN COc1ccc(OCCN2CC[C@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000488753105 421111855 /nfs/dbraw/zinc/11/18/55/421111855.db2.gz QHDPAOIMYJIDDM-VXGBXAGGSA-N 0 3 310.350 1.685 20 5 DDBDHN CCC[C@@H](C)[C@@H](CO)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000516574132 421553874 /nfs/dbraw/zinc/55/38/74/421553874.db2.gz KYURRRGZMIQAIW-DGCLKSJQSA-N 0 3 309.366 1.920 20 5 DDBDHN C[C@@H]1CCN(CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000554597365 421653717 /nfs/dbraw/zinc/65/37/17/421653717.db2.gz DYDQYZILULHJMH-GFCCVEGCSA-N 0 3 306.366 1.465 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCc3cc(F)ccc32)c1 ZINC000519068578 421678654 /nfs/dbraw/zinc/67/86/54/421678654.db2.gz KYCGTEQTNKCONF-UKRRQHHQSA-N 0 3 320.324 1.568 20 5 DDBDHN CC(C)n1cc([C@@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000544469845 421845040 /nfs/dbraw/zinc/84/50/40/421845040.db2.gz XUHABNRVGIRTQP-GFCCVEGCSA-N 0 3 319.365 1.885 20 5 DDBDHN CO[C@@H]1COC[C@H]1N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000574691165 422160155 /nfs/dbraw/zinc/16/01/55/422160155.db2.gz RFPTUJFJPCYXDQ-ZLKJLUDKSA-N 0 3 323.349 1.315 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)CN(C)C1CC1 ZINC000574982698 422227211 /nfs/dbraw/zinc/22/72/11/422227211.db2.gz HVIOKZCMDZKOCE-CQSZACIVSA-N 0 3 309.366 1.148 20 5 DDBDHN Cc1ccncc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578859334 422659929 /nfs/dbraw/zinc/65/99/29/422659929.db2.gz NRYZCWYLVWEYHE-OAHLLOKOSA-N 0 3 317.345 1.828 20 5 DDBDHN CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CN2CCC1CC2 ZINC000347910702 272781298 /nfs/dbraw/zinc/78/12/98/272781298.db2.gz DCWXSGTZAXMBAM-HNNXBMFYSA-N 0 3 303.362 1.690 20 5 DDBDHN C[C@H](CN1CCN(C)CC1)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000155086193 274485950 /nfs/dbraw/zinc/48/59/50/274485950.db2.gz RENGXNFUOGPKPP-ZIAGYGMSSA-N 0 3 306.410 1.881 20 5 DDBDHN CCN(CCO)CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000185444711 276132815 /nfs/dbraw/zinc/13/28/15/276132815.db2.gz KXPNXIKEPFUDBJ-UHFFFAOYSA-N 0 3 324.381 1.647 20 5 DDBDHN CN1CCNC[C@H]1CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423522048 277116931 /nfs/dbraw/zinc/11/69/31/277116931.db2.gz RENADVVNARJTTA-XJKSGUPXSA-N 0 3 318.421 1.810 20 5 DDBDHN CS[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1N(C)C ZINC000278165322 278168591 /nfs/dbraw/zinc/16/85/91/278168591.db2.gz ASWWARPGLORLCY-STQMWFEESA-N 0 3 321.406 1.953 20 5 DDBDHN C[C@H](CS(C)(=O)=O)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449148627 279364883 /nfs/dbraw/zinc/36/48/83/279364883.db2.gz UBHBUDCAZWKHJU-WDEREUQCSA-N 0 3 300.380 1.549 20 5 DDBDHN CN1CCC(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000128692013 281319596 /nfs/dbraw/zinc/31/95/96/281319596.db2.gz QZPGAKSATQIZOS-UHFFFAOYSA-N 0 3 306.366 1.465 20 5 DDBDHN COc1ccc(CNCC[C@H](C)[S@@](C)=O)cc1[N+](=O)[O-] ZINC000129515144 281347493 /nfs/dbraw/zinc/34/74/93/281347493.db2.gz HZJGSJWQRKMZBR-FVINQWEUSA-N 0 3 300.380 1.850 20 5 DDBDHN COC(=O)C[C@@]1(NC/C=C/c2ccccc2[N+](=O)[O-])CCOC1 ZINC000361740269 299928068 /nfs/dbraw/zinc/92/80/68/299928068.db2.gz HDMAIKLHBFDECB-NBUZRDOWSA-N 0 3 320.345 1.920 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)[C@H]1CCOC1 ZINC000162737815 298202095 /nfs/dbraw/zinc/20/20/95/298202095.db2.gz FWQJGMNMVNNYPT-NEPJUHHUSA-N 0 3 307.350 1.856 20 5 DDBDHN CC(C)(O)CN1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000171148144 298229377 /nfs/dbraw/zinc/22/93/77/298229377.db2.gz FTARGBGLBRAECE-UHFFFAOYSA-N 0 3 323.393 1.362 20 5 DDBDHN CC(C)N1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000363919941 300325853 /nfs/dbraw/zinc/32/58/53/300325853.db2.gz KUUBNFRMTPFQLC-HNNXBMFYSA-N 0 3 319.409 1.595 20 5 DDBDHN CC[C@@H]1CN2CCCC[C@@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000375869456 302007858 /nfs/dbraw/zinc/00/78/58/302007858.db2.gz AGBULJABLODGJF-CHWSQXEVSA-N 0 3 307.398 1.777 20 5 DDBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000376928225 302122577 /nfs/dbraw/zinc/12/25/77/302122577.db2.gz YXJKCTPKUCRFLJ-KWCYVHTRSA-N 0 3 321.381 1.686 20 5 DDBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532140712 303276539 /nfs/dbraw/zinc/27/65/39/303276539.db2.gz RZPWBCMYSSKWNN-VXGBXAGGSA-N 0 3 306.366 1.840 20 5 DDBDHN Cc1nn(C)c(C(=O)Nc2ccc3c(c2)CNC3)c1[N+](=O)[O-] ZINC000563115628 303922710 /nfs/dbraw/zinc/92/27/10/303922710.db2.gz HDFNLARGGNOKHJ-UHFFFAOYSA-N 0 3 301.306 1.492 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)n1 ZINC000427252855 307302940 /nfs/dbraw/zinc/30/29/40/307302940.db2.gz ZBACYSYQQBXXMY-NWDGAFQWSA-N 0 3 323.397 1.804 20 5 DDBDHN Cc1cccc(OC[C@H](O)CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC000565477056 308031828 /nfs/dbraw/zinc/03/18/28/308031828.db2.gz YBKYZBZZDQULSB-CQSZACIVSA-N 0 3 320.349 1.129 20 5 DDBDHN NC(=O)c1cccc(N2CC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000566717241 308061015 /nfs/dbraw/zinc/06/10/15/308061015.db2.gz SEEMUACNRJPOAY-NSHDSACASA-N 0 3 304.350 1.368 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000573917143 308255551 /nfs/dbraw/zinc/25/55/51/308255551.db2.gz LWLAYIZBVOPKQS-RNCFNFMXSA-N 0 3 308.313 1.902 20 5 DDBDHN C[C@@H](C[NH3+])C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000447250410 533770827 /nfs/dbraw/zinc/77/08/27/533770827.db2.gz ZSOKKINDUYDZCX-ZETCQYMHSA-N 0 3 307.759 1.121 20 5 DDBDHN C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000820770244 606803990 /nfs/dbraw/zinc/80/39/90/606803990.db2.gz ZXKHRZLCIRHXKF-RNCFNFMXSA-N 0 3 317.353 1.161 20 5 DDBDHN C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000820770244 606803992 /nfs/dbraw/zinc/80/39/92/606803992.db2.gz ZXKHRZLCIRHXKF-RNCFNFMXSA-N 0 3 317.353 1.161 20 5 DDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCCN(C/C=C\Cl)C2 ZINC000981764128 696907483 /nfs/dbraw/zinc/90/74/83/696907483.db2.gz NNMVCUKBWWYBLT-DNDCWNJCSA-N 0 3 313.785 1.329 20 5 DDBDHN C[NH+]1CCC(O[N-]C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000773539933 697775938 /nfs/dbraw/zinc/77/59/38/697775938.db2.gz BEUIIPBBNLRYEO-UHFFFAOYSA-N 0 3 307.350 1.669 20 5 DDBDHN CC(C)S(=O)(=O)CCNCCc1ccc([N+](=O)[O-])cc1 ZINC000232778702 697789775 /nfs/dbraw/zinc/78/97/75/697789775.db2.gz UVAFEMNPFIWTJX-UHFFFAOYSA-N 0 3 300.380 1.550 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(OCCO)CC2)cc1 ZINC000776592934 698124164 /nfs/dbraw/zinc/12/41/64/698124164.db2.gz DDAZZAVXJXTHLO-HNNXBMFYSA-N 0 3 310.350 1.102 20 5 DDBDHN Nc1c(F)c(NC[C@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000785801488 699102624 /nfs/dbraw/zinc/10/26/24/699102624.db2.gz RENPUGLXZAKPHK-ZJUUUORDSA-N 0 3 310.329 1.591 20 5 DDBDHN CC[C@H](CO)N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000737387120 699739333 /nfs/dbraw/zinc/73/93/33/699739333.db2.gz KYICRECKFYREMA-VHSXEESVSA-N 0 3 311.338 1.291 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCC[C@H]1C ZINC000756519254 700625413 /nfs/dbraw/zinc/62/54/13/700625413.db2.gz HVNLLUPRCPSXLW-LLVKDONJSA-N 0 3 307.350 1.818 20 5 DDBDHN CCN(CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000810035999 701714331 /nfs/dbraw/zinc/71/43/31/701714331.db2.gz MTPTWGXUYURTCG-UHFFFAOYSA-N 0 3 316.379 1.954 20 5 DDBDHN CN(C)C(=O)[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839636459 701761841 /nfs/dbraw/zinc/76/18/41/701761841.db2.gz SJTBTCKHEMACLK-TZMCWYRMSA-N 0 3 307.350 1.038 20 5 DDBDHN COC(=O)[C@]1(C)CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839665959 701772913 /nfs/dbraw/zinc/77/29/13/701772913.db2.gz JJUMYRBMWKJWQP-GOEBONIOSA-N 0 3 322.361 1.903 20 5 DDBDHN COC(=O)c1cnc(N2CCN(C)C(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000866112513 706621819 /nfs/dbraw/zinc/62/18/19/706621819.db2.gz DQPFZUXYYMRTBD-UHFFFAOYSA-N 0 3 322.365 1.697 20 5 DDBDHN CC(COC(=O)COc1ccc2c(c1)CCC(=O)N2)[N+](=O)[O-] ZINC000813108690 702295380 /nfs/dbraw/zinc/29/53/80/702295380.db2.gz KDADLQFNGKACSS-VIFPVBQESA-N 0 3 308.290 1.159 20 5 DDBDHN CC(COC(=O)c1cnn(-c2ccc(Cl)cc2)n1)[N+](=O)[O-] ZINC000813109744 702296359 /nfs/dbraw/zinc/29/63/59/702296359.db2.gz VWYXDJJWLMGWEM-QMMMGPOBSA-N 0 3 310.697 1.743 20 5 DDBDHN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813110385 702296497 /nfs/dbraw/zinc/29/64/97/702296497.db2.gz ZHNARCPKWDFHDX-TUAOUCFPSA-N 0 3 300.355 1.480 20 5 DDBDHN CC(COC(=O)Cc1ccc2c(c1)OC(F)(F)O2)[N+](=O)[O-] ZINC000845576842 703177295 /nfs/dbraw/zinc/17/72/95/703177295.db2.gz OPWDHMKRQIVLDF-ZETCQYMHSA-N 0 3 303.217 1.759 20 5 DDBDHN O=C1O[C@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000848677639 703574720 /nfs/dbraw/zinc/57/47/20/703574720.db2.gz FHLIKWFNDDRVCR-ZIAGYGMSSA-N 0 3 321.333 1.201 20 5 DDBDHN CCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000855485767 704487326 /nfs/dbraw/zinc/48/73/26/704487326.db2.gz HDAFOBVEPBZZAU-LSDHHAIUSA-N 0 3 321.377 1.571 20 5 DDBDHN CC(C)[C@@H]1CN(C)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823179359 705163341 /nfs/dbraw/zinc/16/33/41/705163341.db2.gz MBSPJRJIJYEQHA-JKSUJKDBSA-N 0 3 307.394 1.900 20 5 DDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000874837364 705194166 /nfs/dbraw/zinc/19/41/66/705194166.db2.gz IGUMGLORBWHUKB-CHWSQXEVSA-N 0 3 321.381 1.222 20 5 DDBDHN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@@H]1CCCN1CCCO ZINC000828421713 706176822 /nfs/dbraw/zinc/17/68/22/706176822.db2.gz LZIKCMNPTRKKFJ-NSHDSACASA-N 0 3 324.337 1.762 20 5 DDBDHN O=[N+]([O-])c1c(NC[C@H]2CCCCN2CCO)nc2ccccn21 ZINC000828461293 706184331 /nfs/dbraw/zinc/18/43/31/706184331.db2.gz RINPJDQMMKUOJL-GFCCVEGCSA-N 0 3 319.365 1.501 20 5 DDBDHN C[C@@](O)(CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(F)F ZINC000886174915 708710338 /nfs/dbraw/zinc/71/03/38/708710338.db2.gz MEUBHUJDMBIOKN-GFCCVEGCSA-N 0 3 304.297 1.444 20 5 DDBDHN Cc1ccccc1[C@@H](CO)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000886433800 708760318 /nfs/dbraw/zinc/76/03/18/708760318.db2.gz UXPBEQRZQBPZRZ-OAHLLOKOSA-N 0 3 304.350 1.765 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN1C ZINC000928456455 713205036 /nfs/dbraw/zinc/20/50/36/713205036.db2.gz RPLYOWIDVQDINW-MFKMUULPSA-N 0 3 318.377 1.992 20 5 DDBDHN COc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000928457570 713205240 /nfs/dbraw/zinc/20/52/40/713205240.db2.gz XJIMFBWRCBCTSG-GXSJLCMTSA-N 0 3 323.349 1.434 20 5 DDBDHN CCOC(=O)c1ccnc(N2CC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000893941812 710893898 /nfs/dbraw/zinc/89/38/98/710893898.db2.gz WWXPVMKHDVDUOZ-CMPLNLGQSA-N 0 3 320.349 1.307 20 5 DDBDHN CNC(=O)C1(NC/C=C\c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000895883374 711636911 /nfs/dbraw/zinc/63/69/11/711636911.db2.gz DKPWAHGYOBESRC-XQRVVYSFSA-N 0 3 319.361 1.493 20 5 DDBDHN CC[C@H](NCC[N+](=O)[O-])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000905185541 711962180 /nfs/dbraw/zinc/96/21/80/711962180.db2.gz CGXITHDNGGHOSC-GJZGRUSLSA-N 0 3 303.366 1.821 20 5 DDBDHN O=[N+]([O-])CCNCC1(c2ccccc2)CC(O)(C(F)(F)F)C1 ZINC000905693198 712120201 /nfs/dbraw/zinc/12/02/01/712120201.db2.gz AMSVFVJHZPCCCR-UHFFFAOYSA-N 0 3 318.295 1.878 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1COC[C@@H]1C1CC1)OCCO2 ZINC000914433375 713395093 /nfs/dbraw/zinc/39/50/93/713395093.db2.gz OKWNYJZTDFRPHZ-OLZOCXBDSA-N 0 3 320.345 1.881 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000929090338 713543791 /nfs/dbraw/zinc/54/37/91/713543791.db2.gz BDLYBPKHKQYGKA-GXFFZTMASA-N 0 3 320.349 1.771 20 5 DDBDHN CC[C@H](CN1CCOCC1)NCc1ccc([N+](=O)[O-])cc1F ZINC000922593374 714096130 /nfs/dbraw/zinc/09/61/30/714096130.db2.gz ZXWZECVOIGBEPA-CYBMUJFWSA-N 0 3 311.357 1.934 20 5 DDBDHN COC(=O)C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000932104366 714259816 /nfs/dbraw/zinc/25/98/16/714259816.db2.gz FIOUHMBSJVCHDD-UXIGCNINSA-N 0 3 322.361 1.759 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCN1C ZINC000925333468 714815380 /nfs/dbraw/zinc/81/53/80/714815380.db2.gz FCMYAZQJCBSDHA-FZMZJTMJSA-N 0 3 318.377 1.755 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000935724087 715122374 /nfs/dbraw/zinc/12/23/74/715122374.db2.gz HDDBLMDLJJRMPZ-LBPRGKRZSA-N 0 3 323.397 1.336 20 5 DDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)C1 ZINC001169023821 762200710 /nfs/dbraw/zinc/20/07/10/762200710.db2.gz FLWKVSDPPWPYRE-FPCVCCKLSA-N 0 3 309.410 1.227 20 5 DDBDHN Cc1cc(N2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)ncn1 ZINC001169054950 762209794 /nfs/dbraw/zinc/20/97/94/762209794.db2.gz OMASTKBHHPMCCO-KBPBESRZSA-N 0 3 305.382 1.352 20 5 DDBDHN COC(=O)c1cc(N[C@@H](C)[C@@H]2CNCCO2)cc([N+](=O)[O-])c1 ZINC001170568807 768181169 /nfs/dbraw/zinc/18/11/69/768181169.db2.gz HMUPSJRCDAZYLG-ZANVPECISA-N 0 3 309.322 1.170 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1CCO ZINC001170352518 766260432 /nfs/dbraw/zinc/26/04/32/766260432.db2.gz XNDMNPBVMDMQMM-ZENOOKHLSA-N 0 3 323.393 1.015 20 5 DDBDHN Cc1nccn1-c1ccncc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001136819225 772160806 /nfs/dbraw/zinc/16/08/06/772160806.db2.gz ZCADTXPWHJLQAQ-UHFFFAOYSA-N 0 3 313.277 1.459 20 5 DDBDHN CCCN(C)CC(=O)N(C)CCNc1ccc([N+](=O)[O-])cn1 ZINC001101704408 777412807 /nfs/dbraw/zinc/41/28/07/777412807.db2.gz GPRSUCCLJOSAFR-UHFFFAOYSA-N 0 3 309.370 1.202 20 5 DDBDHN CN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)CN(C)C1CCC1 ZINC001102017147 777798034 /nfs/dbraw/zinc/79/80/34/777798034.db2.gz HLWWPTGXELDAJP-UHFFFAOYSA-N 0 3 321.381 1.344 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)/C=C/C(C)(C)C ZINC001155822262 862476472 /nfs/dbraw/zinc/47/64/72/862476472.db2.gz MGWHHGXGCCVKRI-VOTSOKGWSA-N 0 3 323.397 1.527 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)OC[C@H]1CCN1C(C)(C)C ZINC001123028248 859062614 /nfs/dbraw/zinc/06/26/14/859062614.db2.gz AOJZUVSNBSDBCF-LLVKDONJSA-N 0 3 310.354 1.516 20 5 DDBDHN Cc1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)n1C ZINC001123492005 859257796 /nfs/dbraw/zinc/25/77/96/859257796.db2.gz QRGVLOUNCAYVQF-UHFFFAOYSA-N 0 3 316.361 1.761 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC1CCN([C@@H]2CCOC2)CC1 ZINC001330618706 864491073 /nfs/dbraw/zinc/49/10/73/864491073.db2.gz QXLHNPKQSJZRDT-CYBMUJFWSA-N 0 3 306.366 1.385 20 5 DDBDHN Cc1ccnc(N2CCO[C@@H](CN3CCCC3)C2)c1[N+](=O)[O-] ZINC001158304881 864560070 /nfs/dbraw/zinc/56/00/70/864560070.db2.gz OHTDXPFTPXLZQO-ZDUSSCGKSA-N 0 3 306.366 1.599 20 5 DDBDHN CCOc1cnc(NCCCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001161703979 866912641 /nfs/dbraw/zinc/91/26/41/866912641.db2.gz VHWVBOANPNFQPC-UHFFFAOYSA-N 0 3 323.397 1.438 20 5 DDBDHN Cc1nn(CCC(=O)NC[C@H]2CCCCN2C)c(C)c1[N+](=O)[O-] ZINC001336205363 868787658 /nfs/dbraw/zinc/78/76/58/868787658.db2.gz XSYYUEMRWMHPDM-CYBMUJFWSA-N 0 3 323.397 1.399 20 5 DDBDHN CCOC(=O)c1cc(-n2nc(CN)cc2C)ccc1[N+](=O)[O-] ZINC001163985758 868846821 /nfs/dbraw/zinc/84/68/21/868846821.db2.gz AQFKMGKGNJLKAC-UHFFFAOYSA-N 0 3 304.306 1.724 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3NCCO[C@H]3C2)nc1Cl ZINC001165269563 869480184 /nfs/dbraw/zinc/48/01/84/869480184.db2.gz MPBGKRURNHETGU-ONGXEEELSA-N 0 3 312.757 1.519 20 5 DDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001340923350 871429053 /nfs/dbraw/zinc/42/90/53/871429053.db2.gz QWUMGQVYOMKFMV-WDEREUQCSA-N 0 3 309.341 1.875 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@@H](c3ncccn3)C2)cc1 ZINC001308111072 871471045 /nfs/dbraw/zinc/47/10/45/871471045.db2.gz BMDWUSCEEIVSQE-HIFRSBDPSA-N 0 3 314.345 1.908 20 5 DDBDHN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC2(CC1)CNCCO2 ZINC001341206213 871557406 /nfs/dbraw/zinc/55/74/06/871557406.db2.gz MISORRKKWGTSEB-UHFFFAOYSA-N 0 3 323.324 1.329 20 5 DDBDHN C[C@@H](NC(=O)CNC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC001344789324 873117274 /nfs/dbraw/zinc/11/72/74/873117274.db2.gz GUZIYXNBJRHGFA-BXUZGUMPSA-N 0 3 307.350 1.541 20 5 DDBDHN C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1C1CCCC1 ZINC001352968661 877045018 /nfs/dbraw/zinc/04/50/18/877045018.db2.gz HFRPTWUTKJDQIE-LBPRGKRZSA-N 0 3 321.381 1.267 20 5 DDBDHN COCC(=O)NCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222173057 880302988 /nfs/dbraw/zinc/30/29/88/880302988.db2.gz FPMWYQHRLXGTGH-UHFFFAOYSA-N 0 3 321.377 1.569 20 5 DDBDHN CCN(CC)C(=O)[C@@H](C)N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581436 896513774 /nfs/dbraw/zinc/51/37/74/896513774.db2.gz KHDRLJQSWUALOZ-BXUZGUMPSA-N 0 3 305.378 1.909 20 5 DDBDHN CC(=O)N(C)[C@H]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611676 896533702 /nfs/dbraw/zinc/53/37/02/896533702.db2.gz QZEULWTXESPNMS-HOTGVXAUSA-N 0 3 303.362 1.615 20 5 DDBDHN Cn1cc(CN2CC[C@@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092763121 185338676 /nfs/dbraw/zinc/33/86/76/185338676.db2.gz URAFSQWVMZKADY-GFCCVEGCSA-N 0 3 316.361 1.810 20 5 DDBDHN CCN1CCC[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181606753 199326236 /nfs/dbraw/zinc/32/62/36/199326236.db2.gz JPYXOAIKOIKUMK-NSHDSACASA-N 0 3 321.333 1.538 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC1(CN(C)C)CCC1 ZINC000341941700 282516218 /nfs/dbraw/zinc/51/62/18/282516218.db2.gz FKFJIJFKGHHTNF-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN CCOc1cc(CN2CC[C@@H](CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000368572165 307105631 /nfs/dbraw/zinc/10/56/31/307105631.db2.gz GFKZPIUPSHKIQD-LBPRGKRZSA-N 0 3 307.350 1.691 20 5 DDBDHN C[C@H]1NCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000262879582 186318021 /nfs/dbraw/zinc/31/80/21/186318021.db2.gz VTGJMIGOQKKTDW-VXGBXAGGSA-N 0 3 306.366 1.240 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](O)CO)s2)cc1 ZINC000276804823 186468784 /nfs/dbraw/zinc/46/87/84/186468784.db2.gz TWXLBRCMUISOKA-LBPRGKRZSA-N 0 3 308.359 1.766 20 5 DDBDHN O=C1NC(CC(F)(F)F)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000277201006 213361402 /nfs/dbraw/zinc/36/14/02/213361402.db2.gz DTINRZCGWNJARU-MRVPVSSYSA-N 0 3 303.196 1.972 20 5 DDBDHN C[C@@H]1CCCCN1CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000047142666 352483087 /nfs/dbraw/zinc/48/30/87/352483087.db2.gz AXLSJEJYDGTUKW-LLVKDONJSA-N 0 3 306.366 1.781 20 5 DDBDHN CN(C)[C@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000068340851 353105214 /nfs/dbraw/zinc/10/52/14/353105214.db2.gz WZDOCGCBMSPXBI-ZDUSSCGKSA-N 0 3 307.350 1.526 20 5 DDBDHN CC(C)N1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000068777881 353129524 /nfs/dbraw/zinc/12/95/24/353129524.db2.gz UNWPCMBVAPISJX-UHFFFAOYSA-N 0 3 324.356 1.872 20 5 DDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1ccc([N+](=O)[O-])cc1 ZINC000091478033 353827070 /nfs/dbraw/zinc/82/70/70/353827070.db2.gz SNFNRHJRHUAAFN-HNNXBMFYSA-N 0 3 320.393 1.949 20 5 DDBDHN CC[C@@H](N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130039011 354088260 /nfs/dbraw/zinc/08/82/60/354088260.db2.gz KJKHUIIIXYAYII-CQSZACIVSA-N 0 3 307.350 1.702 20 5 DDBDHN COC(=O)[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000280817252 354424703 /nfs/dbraw/zinc/42/47/03/354424703.db2.gz UMEPZFKADDIRGS-BXUZGUMPSA-N 0 3 308.334 1.715 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC1CCN([C@@H]2CCOC2)CC1 ZINC000588823517 354939307 /nfs/dbraw/zinc/93/93/07/354939307.db2.gz AUKXCDHSCQMBAN-CYBMUJFWSA-N 0 3 323.397 1.785 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000590446508 355099657 /nfs/dbraw/zinc/09/96/57/355099657.db2.gz WBWYIZYCOOEZEF-BXUZGUMPSA-N 0 3 323.780 1.953 20 5 DDBDHN CN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000591029800 355235784 /nfs/dbraw/zinc/23/57/84/355235784.db2.gz JORUKIFOWLYBEK-AEGPPILISA-N 0 3 303.362 1.909 20 5 DDBDHN COC1CCN(CCNc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000591460415 355316526 /nfs/dbraw/zinc/31/65/26/355316526.db2.gz SVCYCSDMGBIOHW-UHFFFAOYSA-N 0 3 322.365 1.216 20 5 DDBDHN O=C([C@@H]1CNCCC1(F)F)N1CCc2c1cccc2[N+](=O)[O-] ZINC000591667805 355357764 /nfs/dbraw/zinc/35/77/64/355357764.db2.gz ANQGPJXNBMWJHB-JTQLQIEISA-N 0 3 311.288 1.729 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N(C)CCN2CCCCC2)c1[N+](=O)[O-] ZINC000593882411 356040168 /nfs/dbraw/zinc/04/01/68/356040168.db2.gz GELJCJRSIFLGJQ-UHFFFAOYSA-N 0 3 323.397 1.999 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N(C)CCN2CCCCC2)c1[N+](=O)[O-] ZINC000593882411 356040170 /nfs/dbraw/zinc/04/01/70/356040170.db2.gz GELJCJRSIFLGJQ-UHFFFAOYSA-N 0 3 323.397 1.999 20 5 DDBDHN CCOCCOC[C@H](O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594498959 356238686 /nfs/dbraw/zinc/23/86/86/356238686.db2.gz DTJZAGIXBZQDJM-IUODEOHRSA-N 0 3 324.377 1.586 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@]1(C)CCC(=O)N1 ZINC000595053469 356376879 /nfs/dbraw/zinc/37/68/79/356376879.db2.gz VLUPIYDSIXKWSJ-BMIGLBTASA-N 0 3 307.350 1.923 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595233553 356413738 /nfs/dbraw/zinc/41/37/38/356413738.db2.gz QEFQDBINJIZWBO-NXEZZACHSA-N 0 3 312.301 1.506 20 5 DDBDHN COC(=O)COc1ccc(CNC2([C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000597234714 357104037 /nfs/dbraw/zinc/10/40/37/357104037.db2.gz PDDCDTVELQKDBD-JTQLQIEISA-N 0 3 324.333 1.150 20 5 DDBDHN CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C)C1 ZINC000597944455 357393735 /nfs/dbraw/zinc/39/37/35/357393735.db2.gz CYTDSSJHSUHBJI-CYBMUJFWSA-N 0 3 307.350 1.526 20 5 DDBDHN CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000597944572 357394041 /nfs/dbraw/zinc/39/40/41/357394041.db2.gz FPZDIILZZCGZOR-GFCCVEGCSA-N 0 3 307.350 1.526 20 5 DDBDHN CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(CC)C1 ZINC000598041437 357439861 /nfs/dbraw/zinc/43/98/61/357439861.db2.gz LWTAZKRMNMRNSJ-AWEZNQCLSA-N 0 3 321.377 1.916 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C3CCCCC3)C2)n1 ZINC000598218893 357497125 /nfs/dbraw/zinc/49/71/25/357497125.db2.gz IYJBJOXCZKLKIS-NSHDSACASA-N 0 3 321.381 1.465 20 5 DDBDHN O=C(N[C@H]1CCN(C2CCCCC2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000598221928 357498274 /nfs/dbraw/zinc/49/82/74/357498274.db2.gz YRASKIRXHNGQOM-JTQLQIEISA-N 0 3 307.354 1.455 20 5 DDBDHN C[C@@H]1CC(F)(F)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599623364 357995989 /nfs/dbraw/zinc/99/59/89/357995989.db2.gz OXUUFODZMDMABX-MWLCHTKSSA-N 0 3 304.297 1.272 20 5 DDBDHN O=[N+]([O-])c1cnn(CCNCc2ccnn2CC2CCC2)c1 ZINC000601110376 358405648 /nfs/dbraw/zinc/40/56/48/358405648.db2.gz BXLOJOQSSNBZHK-UHFFFAOYSA-N 0 3 304.354 1.578 20 5 DDBDHN CN(C)CCCS(=O)(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000601378334 358524026 /nfs/dbraw/zinc/52/40/26/358524026.db2.gz AVIJYVKBULKKAU-UHFFFAOYSA-N 0 3 315.395 1.008 20 5 DDBDHN O=[N+]([O-])c1cn(C[C@@]2(O)CCN(Cc3ccccc3)C2)cn1 ZINC000601953303 358751691 /nfs/dbraw/zinc/75/16/91/358751691.db2.gz DXNQTOIYSIPRIM-OAHLLOKOSA-N 0 3 302.334 1.428 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC([C@H]2CCCO2)CC1 ZINC000602814868 359210662 /nfs/dbraw/zinc/21/06/62/359210662.db2.gz FWDRYBIJTZSWMT-CQSZACIVSA-N 0 3 308.382 1.991 20 5 DDBDHN Cn1nccc1CCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962861 359326520 /nfs/dbraw/zinc/32/65/20/359326520.db2.gz PTBVCXPVVAZQFP-OAHLLOKOSA-N 0 3 304.350 1.368 20 5 DDBDHN CC[C@]1(O)CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000602982688 359337763 /nfs/dbraw/zinc/33/77/63/359337763.db2.gz WUAJRYJQQFKXQC-ZBFHGGJFSA-N 0 3 324.377 1.571 20 5 DDBDHN Cc1nn(CCCN2CCN(C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000603328629 359571322 /nfs/dbraw/zinc/57/13/22/359571322.db2.gz SMABXEXRBZHSAI-UHFFFAOYSA-N 0 3 318.381 1.285 20 5 DDBDHN O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CSCCN3)cc2N1 ZINC000603419687 359629252 /nfs/dbraw/zinc/62/92/52/359629252.db2.gz PMUQZBZPMIDOPM-JTQLQIEISA-N 0 3 322.390 1.596 20 5 DDBDHN CN1CCC[C@@H](N2CCN(c3ccncc3[N+](=O)[O-])CC2)C1 ZINC000609675107 360344050 /nfs/dbraw/zinc/34/40/50/360344050.db2.gz VWRQGXQVULHGDU-CYBMUJFWSA-N 0 3 305.382 1.206 20 5 DDBDHN CN1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000609675066 360344098 /nfs/dbraw/zinc/34/40/98/360344098.db2.gz RFMBUGPEENNJKI-LBPRGKRZSA-N 0 3 310.423 1.873 20 5 DDBDHN CNC(=O)c1ccc(N2CCC[C@@H]2CN(C)C)c([N+](=O)[O-])c1 ZINC000610705324 360509907 /nfs/dbraw/zinc/50/99/07/360509907.db2.gz DRSPIYYNJPOTMA-GFCCVEGCSA-N 0 3 306.366 1.485 20 5 DDBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000612086862 360915043 /nfs/dbraw/zinc/91/50/43/360915043.db2.gz YZYIHLRJYCOCLA-OCCSQVGLSA-N 0 3 310.350 1.037 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNCC[C@H]1CCOC1)OCCO2 ZINC000612201716 360941956 /nfs/dbraw/zinc/94/19/56/360941956.db2.gz ORVCPXANLBUDJT-NSHDSACASA-N 0 3 308.334 1.882 20 5 DDBDHN Cn1ccc(CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000612803920 361150667 /nfs/dbraw/zinc/15/06/67/361150667.db2.gz DLGRDIDVOZUNJZ-UHFFFAOYSA-N 0 3 318.333 1.432 20 5 DDBDHN Cc1ccc(C(=O)N2CCC[C@](O)(CN(C)C)C2)cc1[N+](=O)[O-] ZINC000618923089 363802675 /nfs/dbraw/zinc/80/26/75/363802675.db2.gz CZORMVJJYLHRCR-INIZCTEOSA-N 0 3 321.377 1.432 20 5 DDBDHN CN(CCO)CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001120459635 781959275 /nfs/dbraw/zinc/95/92/75/781959275.db2.gz DOZBUUQYHCFQKP-UHFFFAOYSA-N 0 3 307.272 1.950 20 5 DDBDHN COc1cc(OCC(=O)N2CCN[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262734379 203395043 /nfs/dbraw/zinc/39/50/43/203395043.db2.gz CCEHEYLHJOLBBZ-QWRGUYRKSA-N 0 3 323.349 1.191 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCN(C)C1CC1 ZINC000264918512 204269760 /nfs/dbraw/zinc/26/97/60/204269760.db2.gz YQLXFDGVQDPHIH-UHFFFAOYSA-N 0 3 322.365 1.497 20 5 DDBDHN CN(C)C[C@@H]1CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000267443855 206071869 /nfs/dbraw/zinc/07/18/69/206071869.db2.gz CPYFYMAOFCYYFJ-NSHDSACASA-N 0 3 317.349 1.637 20 5 DDBDHN CNc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cccc1[N+](=O)[O-] ZINC000336870662 249276634 /nfs/dbraw/zinc/27/66/34/249276634.db2.gz BMHAFAMLGBOKQN-NEPJUHHUSA-N 0 3 318.377 1.945 20 5 DDBDHN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCNCC1 ZINC000261973105 296268294 /nfs/dbraw/zinc/26/82/94/296268294.db2.gz DXEIBAOHABLNAX-UHFFFAOYSA-N 0 3 315.333 1.216 20 5 DDBDHN CCNC(=O)C[C@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000284864682 218213206 /nfs/dbraw/zinc/21/32/06/218213206.db2.gz SHEDHWYPUGOGLT-GFCCVEGCSA-N 0 3 309.370 1.172 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]2CCN(C)C[C@@H]21 ZINC000284923283 218236033 /nfs/dbraw/zinc/23/60/33/218236033.db2.gz UDBBXQCDVTWMIZ-GOEBONIOSA-N 0 3 321.377 1.508 20 5 DDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](N(C)C)C1 ZINC000109806069 194288356 /nfs/dbraw/zinc/28/83/56/194288356.db2.gz UGANIMXVOKTLCZ-DOMZBBRYSA-N 0 3 320.393 1.948 20 5 DDBDHN CC[C@H](NC[C@H]1CN(C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268961860 207126804 /nfs/dbraw/zinc/12/68/04/207126804.db2.gz XKTLGIHFIJXNHL-HOTGVXAUSA-N 0 3 306.410 1.881 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@H](C)CO ZINC000295773170 533138750 /nfs/dbraw/zinc/13/87/50/533138750.db2.gz QBCNEYHXHJEQTH-ZJUUUORDSA-N 0 3 311.338 1.148 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H](C)CN(C)C)c1F ZINC000412342744 533217124 /nfs/dbraw/zinc/21/71/24/533217124.db2.gz HARBSKCKHAIVPZ-VIFPVBQESA-N 0 3 313.329 1.351 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000417186415 533220661 /nfs/dbraw/zinc/22/06/61/533220661.db2.gz SXMWDSSIJROIAW-QWRGUYRKSA-N 0 3 322.365 1.495 20 5 DDBDHN CC(C)[C@](C)(CO)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000352909463 285380680 /nfs/dbraw/zinc/38/06/80/285380680.db2.gz JAFCVRQYGCMSNJ-INIZCTEOSA-N 0 3 321.377 1.481 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CO)C(C)C ZINC000362190324 300025559 /nfs/dbraw/zinc/02/55/59/300025559.db2.gz LURNZQDCYNNKNE-LBPRGKRZSA-N 0 3 311.338 1.148 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000073818212 406895133 /nfs/dbraw/zinc/89/51/33/406895133.db2.gz XMPPYHLRTSTSBT-HNNXBMFYSA-N 0 3 320.393 1.921 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCC[C@@H]2CCO)c1 ZINC000071794360 406841957 /nfs/dbraw/zinc/84/19/57/406841957.db2.gz CXIGFPVFGCSJGP-UKRRQHHQSA-N 0 3 324.377 1.571 20 5 DDBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000055407111 407202930 /nfs/dbraw/zinc/20/29/30/407202930.db2.gz ZRXVHYRLFMPWOJ-NWDGAFQWSA-N 0 3 309.370 1.028 20 5 DDBDHN Cc1nn(CCC(=O)NC[C@@H]2CCCN(C)C2)c(C)c1[N+](=O)[O-] ZINC000108330941 407383889 /nfs/dbraw/zinc/38/38/89/407383889.db2.gz UECLASYXDNFCFX-ZDUSSCGKSA-N 0 3 323.397 1.256 20 5 DDBDHN CC[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N(C)C ZINC000126426160 407413507 /nfs/dbraw/zinc/41/35/07/407413507.db2.gz QZIYNTZKOJKVFV-OAHLLOKOSA-N 0 3 320.393 1.584 20 5 DDBDHN Cn1ccnc1[C@@H]1CNCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261740337 407597851 /nfs/dbraw/zinc/59/78/51/407597851.db2.gz KNXBLIRMPCRBPW-AWEZNQCLSA-N 0 3 319.340 1.614 20 5 DDBDHN CC(C)(O)CN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000129954759 407636277 /nfs/dbraw/zinc/63/62/77/407636277.db2.gz ITIHPRYLTOUCLZ-FNORWQNLSA-N 0 3 319.405 1.997 20 5 DDBDHN COCCN(C)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134770735 407935060 /nfs/dbraw/zinc/93/50/60/407935060.db2.gz LWXZNWQRFZGFGT-UHFFFAOYSA-N 0 3 315.757 1.556 20 5 DDBDHN CNC(=O)[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154218760 407995914 /nfs/dbraw/zinc/99/59/14/407995914.db2.gz UOCAXOXNHFMONH-OCCSQVGLSA-N 0 3 307.350 1.086 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N[C@H](C)C2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000272732974 408011737 /nfs/dbraw/zinc/01/17/37/408011737.db2.gz BYTNESJMNKSLBU-SNVBAGLBSA-N 0 3 321.381 1.822 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCSCC1 ZINC000273170911 408091020 /nfs/dbraw/zinc/09/10/20/408091020.db2.gz OTZNHASXHUBTOZ-GFCCVEGCSA-N 0 3 312.391 1.773 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)n1 ZINC000246518867 408279655 /nfs/dbraw/zinc/27/96/55/408279655.db2.gz IPUKQCNMPHFQGS-DZGCQCFKSA-N 0 3 319.409 1.740 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246524906 408284469 /nfs/dbraw/zinc/28/44/69/408284469.db2.gz WAWRXJKWWOFGMD-MNOVXSKESA-N 0 3 323.397 1.731 20 5 DDBDHN CN(C)C[C@](C)(O)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000269859481 408450698 /nfs/dbraw/zinc/45/06/98/408450698.db2.gz CLJKQILNYRLCCU-MRXNPFEDSA-N 0 3 323.393 1.301 20 5 DDBDHN COCCN(CCN(C)C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000264230298 408412242 /nfs/dbraw/zinc/41/22/42/408412242.db2.gz XURIIPHXXHPDML-UHFFFAOYSA-N 0 3 309.366 1.553 20 5 DDBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)CCN1C ZINC000274660458 408486025 /nfs/dbraw/zinc/48/60/25/408486025.db2.gz YSMGRNGSUQXUFB-QWRGUYRKSA-N 0 3 306.366 1.732 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000247534426 408488842 /nfs/dbraw/zinc/48/88/42/408488842.db2.gz XNRBTZVELILIHX-CMPLNLGQSA-N 0 3 306.366 1.853 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CN1C1CC1 ZINC000177081925 408515074 /nfs/dbraw/zinc/51/50/74/408515074.db2.gz XZISOKHRSOTQCL-WCBMZHEXSA-N 0 3 322.340 1.671 20 5 DDBDHN COC(=O)[C@]1(C)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000177420531 408610032 /nfs/dbraw/zinc/61/00/32/408610032.db2.gz XGIRREKCSLNIMM-OAHLLOKOSA-N 0 3 308.334 1.859 20 5 DDBDHN O=C(NCCCN1CCC(O)CC1)c1csc([N+](=O)[O-])c1 ZINC000265623616 408717169 /nfs/dbraw/zinc/71/71/69/408717169.db2.gz RAWZYFMUJNANOQ-UHFFFAOYSA-N 0 3 313.379 1.233 20 5 DDBDHN CO[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1C ZINC000251933778 408791172 /nfs/dbraw/zinc/79/11/72/408791172.db2.gz UBUONCFZSBKOJG-IVMMDQJWSA-N 0 3 324.377 1.691 20 5 DDBDHN CS(=O)(=O)CCCCCNCc1ccccc1[N+](=O)[O-] ZINC000185214620 408780642 /nfs/dbraw/zinc/78/06/42/408780642.db2.gz GTKDZVDZOIWRDP-UHFFFAOYSA-N 0 3 300.380 1.899 20 5 DDBDHN C[C@@H](CCN(C)C)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286186964 408939816 /nfs/dbraw/zinc/93/98/16/408939816.db2.gz JNVWXTIASZGCCK-VIFPVBQESA-N 0 3 305.338 1.996 20 5 DDBDHN CN(C[C@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000292080318 408976055 /nfs/dbraw/zinc/97/60/55/408976055.db2.gz FOFQSUXVXIFLNR-CYBMUJFWSA-N 0 3 307.394 1.875 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000277662802 408987341 /nfs/dbraw/zinc/98/73/41/408987341.db2.gz WOVVSQKJBABOKY-YPMHNXCESA-N 0 3 319.361 1.912 20 5 DDBDHN CN(C(=O)CN[C@H]1CCC[C@@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000279289282 409185544 /nfs/dbraw/zinc/18/55/44/409185544.db2.gz PGDBHBQBAJDXNR-DOMZBBRYSA-N 0 3 321.377 1.698 20 5 DDBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCN1C ZINC000284195878 409294216 /nfs/dbraw/zinc/29/42/16/409294216.db2.gz ZFXGDLQTEGTKKE-NXEZZACHSA-N 0 3 324.356 1.871 20 5 DDBDHN COCCOC[C@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000295299180 409419644 /nfs/dbraw/zinc/41/96/44/409419644.db2.gz JXPQGKOYLOSRIS-OAHLLOKOSA-N 0 3 312.366 1.093 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CCC[NH3+] ZINC000313827586 164011511 /nfs/dbraw/zinc/01/15/11/164011511.db2.gz MQZFCJJCMJMLPG-VIFPVBQESA-N 0 3 317.367 1.009 20 5 DDBDHN CNc1c(C(=O)N2CC[C@@]3(CCN(C)C3)C2)cccc1[N+](=O)[O-] ZINC000324009202 164049675 /nfs/dbraw/zinc/04/96/75/164049675.db2.gz NQLAIUFRNHSLCE-MRXNPFEDSA-N 0 3 318.377 1.804 20 5 DDBDHN Cc1cc(C(=O)N[C@H]2CCCN(CCCO)C2)ccc1[N+](=O)[O-] ZINC000295412601 409474172 /nfs/dbraw/zinc/47/41/72/409474172.db2.gz JLTZOKTUDOVGCT-AWEZNQCLSA-N 0 3 321.377 1.480 20 5 DDBDHN CCN1CCCC[C@@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290704114 409492168 /nfs/dbraw/zinc/49/21/68/409492168.db2.gz WJXJMSMPFAAKNB-SNVBAGLBSA-N 0 3 307.354 1.375 20 5 DDBDHN O=C(Cc1ccccc1[N+](=O)[O-])NCCNc1ccncc1 ZINC000338071904 409696814 /nfs/dbraw/zinc/69/68/14/409696814.db2.gz VKOXSRNMPUJTEA-UHFFFAOYSA-N 0 3 300.318 1.183 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCN2CCC1CC2 ZINC000356985182 409770195 /nfs/dbraw/zinc/77/01/95/409770195.db2.gz SJILQNMNODCQDQ-UHFFFAOYSA-N 0 3 307.325 1.583 20 5 DDBDHN COC(=O)CC[C@H](N)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000342665835 409799067 /nfs/dbraw/zinc/79/90/67/409799067.db2.gz YTXWEVHPDXIJDT-LBPRGKRZSA-N 0 3 323.349 1.227 20 5 DDBDHN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1CCOC1 ZINC000332169452 409944794 /nfs/dbraw/zinc/94/47/94/409944794.db2.gz VRDCMETYJMCMBY-SLEUVZQESA-N 0 3 319.361 1.715 20 5 DDBDHN COC(=O)[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000346657681 410062129 /nfs/dbraw/zinc/06/21/29/410062129.db2.gz LHCKZTKLSZRNRQ-RISCZKNCSA-N 0 3 308.334 1.857 20 5 DDBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCN(C)CC1 ZINC000298638736 410324999 /nfs/dbraw/zinc/32/49/99/410324999.db2.gz OWLFWOPRWHEZMV-LBPRGKRZSA-N 0 3 306.366 1.559 20 5 DDBDHN C[C@H]1CCCN(CCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000298732263 410371733 /nfs/dbraw/zinc/37/17/33/410371733.db2.gz JRWRWOWOXPAROU-ZDUSSCGKSA-N 0 3 321.377 1.822 20 5 DDBDHN CNC(=O)c1ccc(N2CC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301149357 410667001 /nfs/dbraw/zinc/66/70/01/410667001.db2.gz LTQOOMNRQOQRHE-ZDUSSCGKSA-N 0 3 318.377 1.629 20 5 DDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H](N2CCCC2)C1 ZINC000301062425 410647828 /nfs/dbraw/zinc/64/78/28/410647828.db2.gz BKLPJDFPMFFQTQ-LLVKDONJSA-N 0 3 319.365 1.153 20 5 DDBDHN C[C@@H]1[C@@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000337299225 410698605 /nfs/dbraw/zinc/69/86/05/410698605.db2.gz MGDUOFBPHNPWIR-CHWSQXEVSA-N 0 3 320.393 1.948 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000347943964 410807063 /nfs/dbraw/zinc/80/70/63/410807063.db2.gz IXYKFBCDBQMZTD-CYBMUJFWSA-N 0 3 321.381 1.042 20 5 DDBDHN COc1cccc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000331430505 411086418 /nfs/dbraw/zinc/08/64/18/411086418.db2.gz CDGQKCSYECETFG-MFKMUULPSA-N 0 3 319.361 1.816 20 5 DDBDHN CN1CCN(CCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000131868685 196205822 /nfs/dbraw/zinc/20/58/22/196205822.db2.gz VOWKDJLSRJCXSH-UHFFFAOYSA-N 0 3 324.356 1.101 20 5 DDBDHN C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1CCO ZINC000419331825 226120235 /nfs/dbraw/zinc/12/02/35/226120235.db2.gz RXEGQPRARFJCJK-KBPBESRZSA-N 0 3 323.393 1.361 20 5 DDBDHN CCc1nn(C)c(NCCCN2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000360961408 418556728 /nfs/dbraw/zinc/55/67/28/418556728.db2.gz QJWRINQGHHXUNP-UHFFFAOYSA-N 0 3 324.429 1.330 20 5 DDBDHN CCc1n[nH]c(C(=O)N(CCN(C)C)C2CCCC2)c1[N+](=O)[O-] ZINC000192565391 222129489 /nfs/dbraw/zinc/12/94/89/222129489.db2.gz XYIRQHFMDWIRNC-UHFFFAOYSA-N 0 3 323.397 1.827 20 5 DDBDHN CCc1[nH]nc(C(=O)N(CCN(C)C)C2CCCC2)c1[N+](=O)[O-] ZINC000192565391 222129492 /nfs/dbraw/zinc/12/94/92/222129492.db2.gz XYIRQHFMDWIRNC-UHFFFAOYSA-N 0 3 323.397 1.827 20 5 DDBDHN CN1CC[C@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375052760 418596281 /nfs/dbraw/zinc/59/62/81/418596281.db2.gz ZLZVUUFUZYGOEC-HZMBPMFUSA-N 0 3 304.350 1.224 20 5 DDBDHN C[C@@H]1OCC[C@@H]1N(CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000361586786 418687682 /nfs/dbraw/zinc/68/76/82/418687682.db2.gz UJOCKURRZLRCRE-STQMWFEESA-N 0 3 310.350 1.445 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N2CCN([C@H]3CCCN(C)C3)CC2)n1 ZINC000371212641 418768370 /nfs/dbraw/zinc/76/83/70/418768370.db2.gz MDCIAERFIMMAFQ-AWEZNQCLSA-N 0 3 319.409 1.514 20 5 DDBDHN C[C@@H]1CCN[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000422939799 227272211 /nfs/dbraw/zinc/27/22/11/227272211.db2.gz RVDKKUXTYYBYPX-BXUZGUMPSA-N 0 3 306.366 1.511 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCO[C@@H]2CCC[C@@H]21 ZINC000372352675 418860571 /nfs/dbraw/zinc/86/05/71/418860571.db2.gz ZYEKAFWAMKQYQB-UONOGXRCSA-N 0 3 307.350 1.400 20 5 DDBDHN COC(=O)[C@H]1CN(C)CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000411912326 419478012 /nfs/dbraw/zinc/47/80/12/419478012.db2.gz VGKZXMDOVOWJLI-STQMWFEESA-N 0 3 321.377 1.692 20 5 DDBDHN CN(C)C1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000416302814 420317390 /nfs/dbraw/zinc/31/73/90/420317390.db2.gz PPOUGNHPTFRZRX-UHFFFAOYSA-N 0 3 302.334 1.900 20 5 DDBDHN COc1cc(CNC[C@]2(C)CCC(=O)N2)c([N+](=O)[O-])cc1O ZINC000453589467 420733205 /nfs/dbraw/zinc/73/32/05/420733205.db2.gz MXOIWSIHBUQSHK-AWEZNQCLSA-N 0 3 309.322 1.067 20 5 DDBDHN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CNCCC1(F)F ZINC000449660861 421050639 /nfs/dbraw/zinc/05/06/39/421050639.db2.gz HGHJWQYOMSDYFW-NSHDSACASA-N 0 3 314.292 1.120 20 5 DDBDHN C[C@@H]1C[C@@H]1C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000488414973 421089058 /nfs/dbraw/zinc/08/90/58/421089058.db2.gz GCWMTSBBMIQQMS-GHMZBOCLSA-N 0 3 313.379 1.119 20 5 DDBDHN CC(COC(=O)C1(CNC(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000496412934 421250688 /nfs/dbraw/zinc/25/06/88/421250688.db2.gz VJAQVMQYXIKQTC-SECBINFHSA-N 0 3 302.327 1.500 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC(CO)CO)s2)cc1 ZINC000561512300 421327986 /nfs/dbraw/zinc/32/79/86/421327986.db2.gz HCBCUYQNTSJROP-UHFFFAOYSA-N 0 3 308.359 1.766 20 5 DDBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CCN(C2CCC2)C1 ZINC000561527860 421328152 /nfs/dbraw/zinc/32/81/52/421328152.db2.gz WEOSVLOZWMELPQ-LBPRGKRZSA-N 0 3 318.377 1.936 20 5 DDBDHN CC[C@H]1CN(C)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514649903 421443351 /nfs/dbraw/zinc/44/33/51/421443351.db2.gz OCLZXUWIPLSZRH-UONOGXRCSA-N 0 3 323.393 1.361 20 5 DDBDHN CC[C@@H](N)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000563036968 421444780 /nfs/dbraw/zinc/44/47/80/421444780.db2.gz RZAHGSXIMQQIOA-SNVBAGLBSA-N 0 3 311.338 1.008 20 5 DDBDHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCC(=O)N(C)C1 ZINC000520952790 421767636 /nfs/dbraw/zinc/76/76/36/421767636.db2.gz HEWWGDFZYNKUHK-CYBMUJFWSA-N 0 3 307.350 1.526 20 5 DDBDHN CC(C)n1cc([C@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000544469846 421845092 /nfs/dbraw/zinc/84/50/92/421845092.db2.gz XUHABNRVGIRTQP-LBPRGKRZSA-N 0 3 319.365 1.885 20 5 DDBDHN Nc1nccc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594418491 422348567 /nfs/dbraw/zinc/34/85/67/422348567.db2.gz JMOKFPHYETVWSR-NEPJUHHUSA-N 0 3 319.365 1.319 20 5 DDBDHN COC(=O)c1cc(C)nc(N[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000342365433 271391448 /nfs/dbraw/zinc/39/14/48/271391448.db2.gz VYYKYQXPAUYICL-GHMZBOCLSA-N 0 3 322.365 1.979 20 5 DDBDHN CC(C)(CCC[NH3+])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000313126027 277296054 /nfs/dbraw/zinc/29/60/54/277296054.db2.gz CVWCRDDVLLVTQW-UHFFFAOYSA-N 0 3 301.368 1.391 20 5 DDBDHN CCS(=O)(=O)NCCN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449105588 280026349 /nfs/dbraw/zinc/02/63/49/280026349.db2.gz ZBTWTBNZXWKJQH-NSHDSACASA-N 0 3 315.395 1.055 20 5 DDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCN1CCCC1 ZINC000089898164 281027041 /nfs/dbraw/zinc/02/70/41/281027041.db2.gz PEZPFUXKDPJKAG-CYBMUJFWSA-N 0 3 320.393 1.949 20 5 DDBDHN C[C@H](NC(=O)NCCOCCN(C)C)c1ccccc1[N+](=O)[O-] ZINC000471641772 289867547 /nfs/dbraw/zinc/86/75/47/289867547.db2.gz GHQVYRJEDFCMPI-LBPRGKRZSA-N 0 3 324.381 1.533 20 5 DDBDHN CN1CCC(CCO)(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000354145045 298353486 /nfs/dbraw/zinc/35/34/86/298353486.db2.gz YBACJFFWZWMKID-UHFFFAOYSA-N 0 3 307.350 1.171 20 5 DDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000356464247 298798508 /nfs/dbraw/zinc/79/85/08/298798508.db2.gz JENZPTJLFPXAGJ-LBPRGKRZSA-N 0 3 321.381 1.419 20 5 DDBDHN COCCO[C@@H]1COCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000362515667 300084066 /nfs/dbraw/zinc/08/40/66/300084066.db2.gz ITONMCAIUZJNHW-HUUCEWRRSA-N 0 3 310.350 1.505 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CC[C@@H](N3CC=CC3)C2)c2nonc21 ZINC000364296467 300371290 /nfs/dbraw/zinc/37/12/90/300371290.db2.gz CLFIVMXLFCAEQO-SNVBAGLBSA-N 0 3 301.306 1.582 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C[C@H]21 ZINC000368596591 301061190 /nfs/dbraw/zinc/06/11/90/301061190.db2.gz VMBVMCJIFIDKHT-QMTHXVAHSA-N 0 3 304.350 1.343 20 5 DDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCc3c[nH]nc3C2)c([N+](=O)[O-])c1 ZINC000369326963 301165177 /nfs/dbraw/zinc/16/51/77/301165177.db2.gz MWAVGBSZASRDSF-LLVKDONJSA-N 0 3 317.305 1.873 20 5 DDBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000376408521 302074786 /nfs/dbraw/zinc/07/47/86/302074786.db2.gz OOKQAIKSTXJTIW-GXFFZTMASA-N 0 3 319.365 1.271 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CN(C)CCN1C ZINC000531970542 303268295 /nfs/dbraw/zinc/26/82/95/303268295.db2.gz CRTUHCUNKJGXHM-ZFWWWQNUSA-N 0 3 306.410 1.800 20 5 DDBDHN COc1ccc(CC(=O)N(CCN(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000533046073 303306231 /nfs/dbraw/zinc/30/62/31/303306231.db2.gz GPMCQVMASRIQIA-UHFFFAOYSA-N 0 3 323.393 1.945 20 5 DDBDHN CCOCC[C@H](O)CN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373105550 307178796 /nfs/dbraw/zinc/17/87/96/307178796.db2.gz AMDVVFHJZAYRGF-JSGCOSHPSA-N 0 3 312.370 1.216 20 5 DDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000376448424 307244184 /nfs/dbraw/zinc/24/41/84/307244184.db2.gz MUSKBWKDLBWMHO-YPMHNXCESA-N 0 3 318.377 1.876 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cc3ccccc3o2)c1 ZINC000583256195 337290351 /nfs/dbraw/zinc/29/03/51/337290351.db2.gz ANAQEJUYKGGSGQ-CYBMUJFWSA-N 0 3 316.317 1.688 20 5 DDBDHN C[C@@H](NCCN1C(=O)CN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595413585 500887768 /nfs/dbraw/zinc/88/77/68/500887768.db2.gz CNPAJNMELLCXBI-SNVBAGLBSA-N 0 3 306.322 1.139 20 5 DDBDHN C[C@H](NCCN1C(=O)N[C@@H](C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000459481245 533858038 /nfs/dbraw/zinc/85/80/38/533858038.db2.gz APDKVXYWDNWQSC-UWVGGRQHSA-N 0 3 306.322 1.186 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(C)(C)CN(C)C ZINC000459542537 534340114 /nfs/dbraw/zinc/34/01/14/534340114.db2.gz AFALGRUMNONISA-UHFFFAOYSA-N 0 3 308.382 1.772 20 5 DDBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000301958722 534426080 /nfs/dbraw/zinc/42/60/80/534426080.db2.gz LQJSMYGJTCKFMK-HNNXBMFYSA-N 0 3 318.377 1.513 20 5 DDBDHN CCN(CCO)CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412269578 528544279 /nfs/dbraw/zinc/54/42/79/528544279.db2.gz LPAVXTDHTAXGMD-LSDHHAIUSA-N 0 3 321.377 1.129 20 5 DDBDHN CCC[C@@H]1CN(Cn2cc([N+](=O)[O-])cn2)CCN1CCOC ZINC000159791420 697312599 /nfs/dbraw/zinc/31/25/99/697312599.db2.gz NZUSGTMLNJSVBV-CYBMUJFWSA-N 0 3 311.386 1.182 20 5 DDBDHN C/C=C(/C)C(=O)N1CCC(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000990844583 699171811 /nfs/dbraw/zinc/17/18/11/699171811.db2.gz HZQMGWSRHRDRJI-WCIBSUBMSA-N 0 3 321.381 1.375 20 5 DDBDHN COc1ccc(CN2CC[C@@H](C3OCCO3)C2)cc1[N+](=O)[O-] ZINC000719003844 699297207 /nfs/dbraw/zinc/29/72/07/699297207.db2.gz ZFUJIOJXNFAUNP-GFCCVEGCSA-N 0 3 308.334 1.798 20 5 DDBDHN Nc1nc(NC2CCN(C[C@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC000725787492 699334073 /nfs/dbraw/zinc/33/40/73/699334073.db2.gz JUHCCNGRHFPCEX-LLVKDONJSA-N 0 3 322.369 1.022 20 5 DDBDHN Cn1cc([C@@H](O)CNCc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000761527317 700862777 /nfs/dbraw/zinc/86/27/77/700862777.db2.gz SCZQSBXVYQBUFK-ZDUSSCGKSA-N 0 3 310.741 1.805 20 5 DDBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H](CO)CN1CCCC1 ZINC000808223816 701509127 /nfs/dbraw/zinc/50/91/27/701509127.db2.gz ZKNZGPVZFSLHFI-PODYEWJSSA-N 0 3 319.361 1.181 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000866218035 706652262 /nfs/dbraw/zinc/65/22/62/706652262.db2.gz KNZKIASIKWUHRJ-OAHLLOKOSA-N 0 3 320.393 1.731 20 5 DDBDHN CC(COC(=O)Cc1cncn1Cc1ccccc1)[N+](=O)[O-] ZINC000813099742 702290233 /nfs/dbraw/zinc/29/02/33/702290233.db2.gz BRDMWTUOXRSFFZ-LBPRGKRZSA-N 0 3 303.318 1.682 20 5 DDBDHN COc1ccc([C@H](CC(=O)OCC(C)[N+](=O)[O-])NC(C)=O)cc1 ZINC000813100030 702290267 /nfs/dbraw/zinc/29/02/67/702290267.db2.gz KLBZCJAJCQKFHD-HZMBPMFUSA-N 0 3 324.333 1.471 20 5 DDBDHN COCCOCc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1F ZINC000813102704 702291034 /nfs/dbraw/zinc/29/10/34/702291034.db2.gz JAONLPFEUZIWFJ-SNVBAGLBSA-N 0 3 315.297 1.811 20 5 DDBDHN COc1ccc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813103116 702291068 /nfs/dbraw/zinc/29/10/68/702291068.db2.gz OCMGLFBZVYBXPB-MNOVXSKESA-N 0 3 322.317 1.257 20 5 DDBDHN CC(C)[C@@H](C(=O)OCC(C)[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000813109808 702296075 /nfs/dbraw/zinc/29/60/75/702296075.db2.gz PDRMJRALTXIQOS-RVMXOQNASA-N 0 3 302.371 1.329 20 5 DDBDHN CC(COC(=O)c1ccc(OCC(F)(F)F)nc1)[N+](=O)[O-] ZINC000813111443 702297232 /nfs/dbraw/zinc/29/72/32/702297232.db2.gz HIDMBRHQSJXFNF-SSDOTTSWSA-N 0 3 308.212 1.845 20 5 DDBDHN CC(COC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813114367 702299506 /nfs/dbraw/zinc/29/95/06/702299506.db2.gz QSJZAUDAUJSUGQ-SNVBAGLBSA-N 0 3 311.294 1.995 20 5 DDBDHN COC(=O)N1CC(N[C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866307821 706670401 /nfs/dbraw/zinc/67/04/01/706670401.db2.gz KKKCOCMEOTYXEV-VIFPVBQESA-N 0 3 311.313 1.705 20 5 DDBDHN COc1c(C)cnc(CCCOC(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC000842331575 702704719 /nfs/dbraw/zinc/70/47/19/702704719.db2.gz GWTPLLKKMYRCKJ-DGCLKSJQSA-N 0 3 308.334 1.848 20 5 DDBDHN CC(C)C[C@@](C)(C[NH3+])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000842722726 702762683 /nfs/dbraw/zinc/76/26/83/702762683.db2.gz MINJALHKEYTWPH-LBPRGKRZSA-N 0 3 316.383 1.032 20 5 DDBDHN CC(COC(=O)C[C@H](C)n1cc(Br)cn1)[N+](=O)[O-] ZINC000842802339 702776312 /nfs/dbraw/zinc/77/63/12/702776312.db2.gz VQYLRCOGKLTFMM-YUMQZZPRSA-N 0 3 320.143 1.805 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccccc2CO)cc1 ZINC000843069734 702813166 /nfs/dbraw/zinc/81/31/66/702813166.db2.gz RBBZSDFEOSTHTB-MRXNPFEDSA-N 0 3 302.330 1.910 20 5 DDBDHN O=[N+]([O-])c1ccccc1Cc1noc(C[C@@H]2CNCCO2)n1 ZINC000843170919 702832547 /nfs/dbraw/zinc/83/25/47/702832547.db2.gz NAGVSBTYDXVTME-LLVKDONJSA-N 0 3 304.306 1.100 20 5 DDBDHN C[C@@H](NC[C@]12COC(=O)N1CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000866519949 706719758 /nfs/dbraw/zinc/71/97/58/706719758.db2.gz YPZLHTPHLPASKD-ABAIWWIYSA-N 0 3 321.333 1.467 20 5 DDBDHN CO[C@H]1CC[C@H](N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000851716916 703835526 /nfs/dbraw/zinc/83/55/26/703835526.db2.gz OGOPZLSYAFUAGV-JSGCOSHPSA-N 0 3 306.366 1.679 20 5 DDBDHN CC(C)(C)[S@](=O)CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819057012 704062129 /nfs/dbraw/zinc/06/21/29/704062129.db2.gz RHPMPASFLWGNLI-YEJXKQKISA-N 0 3 314.407 1.765 20 5 DDBDHN CC(C)[C@@H]1CN(C)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823179375 705163447 /nfs/dbraw/zinc/16/34/47/705163447.db2.gz MMGGOYZBLMYHMD-JKSUJKDBSA-N 0 3 307.394 1.900 20 5 DDBDHN COc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000874848709 705202613 /nfs/dbraw/zinc/20/26/13/705202613.db2.gz GMDIGNFSLFCPRD-CHWSQXEVSA-N 0 3 319.361 1.912 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@H](n3ccnn3)C2)cc1 ZINC000823468833 705249641 /nfs/dbraw/zinc/24/96/41/705249641.db2.gz LIBKLMXKOFIXLQ-HUUCEWRRSA-N 0 3 317.349 1.557 20 5 DDBDHN CO[C@H]1CN(C)[C@](C)(COC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000861345110 705436676 /nfs/dbraw/zinc/43/66/76/705436676.db2.gz YWBYYBNHHFWONT-YGRLFVJLSA-N 0 3 311.338 1.199 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3C[C@@]34CCOC4)CC2)cn1 ZINC000885937556 708666807 /nfs/dbraw/zinc/66/68/07/708666807.db2.gz CFRICXNOFBXJQM-XJKSGUPXSA-N 0 3 318.377 1.538 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CCC(C)(C)C1 ZINC000890080189 709738529 /nfs/dbraw/zinc/73/85/29/709738529.db2.gz XWCQSZWPQNNDOF-UHFFFAOYSA-N 0 3 306.366 1.760 20 5 DDBDHN CCOC(=O)c1ccnc(N[C@@H]2CCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000895739039 711591715 /nfs/dbraw/zinc/59/17/15/711591715.db2.gz AMOJNYWTCWUWIP-MWLCHTKSSA-N 0 3 308.338 1.671 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCN1C1CCOCC1 ZINC000896524080 711738075 /nfs/dbraw/zinc/73/80/75/711738075.db2.gz SBXALVRCMHCOEE-CYBMUJFWSA-N 0 3 323.397 1.785 20 5 DDBDHN CC(C)(C)OC(=O)N1CCC2(CCN(CC[N+](=O)[O-])C2)CC1 ZINC000930179702 713773419 /nfs/dbraw/zinc/77/34/19/713773419.db2.gz OWOFCDPJKHPZGN-UHFFFAOYSA-N 0 3 313.398 1.986 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC[C@H]1CC(=O)N(C)C1 ZINC000922487813 714068516 /nfs/dbraw/zinc/06/85/16/714068516.db2.gz FEHITYKRTZONJK-LBPRGKRZSA-N 0 3 321.377 1.952 20 5 DDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([N+](=O)[O-])c1N ZINC000923280333 714295863 /nfs/dbraw/zinc/29/58/63/714295863.db2.gz XAHBMQSIPGTPMW-WDEREUQCSA-N 0 3 304.350 1.486 20 5 DDBDHN CCO[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000932969618 714446327 /nfs/dbraw/zinc/44/63/27/714446327.db2.gz MTPOXRUUTSOZJD-STQMWFEESA-N 0 3 310.350 1.445 20 5 DDBDHN CCO[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000932969617 714446451 /nfs/dbraw/zinc/44/64/51/714446451.db2.gz MTPOXRUUTSOZJD-OLZOCXBDSA-N 0 3 310.350 1.445 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1=CCOCC1 ZINC001126110970 738302144 /nfs/dbraw/zinc/30/21/44/738302144.db2.gz TZGVCFPILZEIOB-UHFFFAOYSA-N 0 3 305.334 1.147 20 5 DDBDHN O=C(CCc1ncc[nH]1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126431418 740078268 /nfs/dbraw/zinc/07/82/68/740078268.db2.gz GWAVUWNWOWUPCR-UHFFFAOYSA-N 0 3 317.349 1.157 20 5 DDBDHN Cc1ccc(CNCCOCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC001200590015 748285736 /nfs/dbraw/zinc/28/57/36/748285736.db2.gz HROCKLSZXMSRCT-UHFFFAOYSA-N 0 3 316.379 1.054 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC001124737892 748457765 /nfs/dbraw/zinc/45/77/65/748457765.db2.gz ZCDMRCZAFAYZQJ-UHFFFAOYSA-N 0 3 306.347 1.571 20 5 DDBDHN CSc1nc(Cl)nc(-n2ccc([C@@H](C)N)n2)c1[N+](=O)[O-] ZINC001158350729 768133934 /nfs/dbraw/zinc/13/39/34/768133934.db2.gz NXPJMFOXRFXZKZ-RXMQYKEDSA-N 0 3 314.758 1.966 20 5 DDBDHN CCOC(=O)C1=C(Nc2cnc([N+](=O)[O-])c(OC)c2)CCNC1 ZINC001170518148 767759943 /nfs/dbraw/zinc/75/99/43/767759943.db2.gz ZZDNKBHLDAUYHB-UHFFFAOYSA-N 0 3 322.321 1.221 20 5 DDBDHN Cc1ccoc1CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001133578189 770028262 /nfs/dbraw/zinc/02/82/62/770028262.db2.gz UGUYERUCICKRIN-UHFFFAOYSA-N 0 3 317.345 1.945 20 5 DDBDHN CN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)CN(C)C1CCC1 ZINC001102016411 777798347 /nfs/dbraw/zinc/79/83/47/777798347.db2.gz UOXIZOKCQQCWKB-UHFFFAOYSA-N 0 3 320.393 1.949 20 5 DDBDHN O=[N+]([O-])c1cnc(N[C@H]2CCCC[C@@]23CNCCO3)c(F)c1 ZINC001155824822 862478292 /nfs/dbraw/zinc/47/82/92/862478292.db2.gz VYKHLMQQHLNHBB-GXTWGEPZSA-N 0 3 310.329 1.842 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C1CCCCC1 ZINC001154245707 860915401 /nfs/dbraw/zinc/91/54/01/860915401.db2.gz BFYUNUZQQIBFMR-UHFFFAOYSA-N 0 3 323.397 1.505 20 5 DDBDHN CCC(=CC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C)CC ZINC001156477174 863082312 /nfs/dbraw/zinc/08/23/12/863082312.db2.gz GZWPLWKYILCNOD-UHFFFAOYSA-N 0 3 323.397 1.671 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CCCN(C)[C@@H]3C2)n1 ZINC001157282396 863708556 /nfs/dbraw/zinc/70/85/56/863708556.db2.gz NBWPIYZLELCEHC-GXFFZTMASA-N 0 3 320.349 1.307 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(N[C@H](C)[C@H]2CNCCO2)nc1Cl ZINC001159496596 865348641 /nfs/dbraw/zinc/34/86/41/865348641.db2.gz KKLHVMGPTABAKA-PSASIEDQSA-N 0 3 300.746 1.740 20 5 DDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CN2CCC1CC2 ZINC001337410119 869476484 /nfs/dbraw/zinc/47/64/84/869476484.db2.gz OLVXGUPMUOFCBY-CYBMUJFWSA-N 0 3 307.325 1.487 20 5 DDBDHN Cc1nocc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001165667299 869673567 /nfs/dbraw/zinc/67/35/67/869673567.db2.gz VFZTVEUKZFQBPY-UHFFFAOYSA-N 0 3 324.362 1.862 20 5 DDBDHN CCC(=O)c1ccc(N2CC(N[C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001307217766 871410095 /nfs/dbraw/zinc/41/00/95/871410095.db2.gz RJNJEKZFHMCCFR-GFCCVEGCSA-N 0 3 319.361 1.755 20 5 DDBDHN CCOCC(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001231406395 885619869 /nfs/dbraw/zinc/61/98/69/885619869.db2.gz FAYQDHQBXJIXBU-UHFFFAOYSA-N 0 3 309.366 1.569 20 5 DDBDHN C[C@@]1(CO)CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001254545140 896496753 /nfs/dbraw/zinc/49/67/53/896496753.db2.gz JEBJSZLTNZEBCX-XJKSGUPXSA-N 0 3 324.377 1.429 20 5 DDBDHN C[C@]1(CO)CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@H]1O ZINC001254593352 896520471 /nfs/dbraw/zinc/52/04/71/896520471.db2.gz LILUJHRMWPUFED-BZUAXINKSA-N 0 3 306.362 1.127 20 5 DDBDHN C[C@]1(CO)CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1O ZINC001254592067 896522402 /nfs/dbraw/zinc/52/24/02/896522402.db2.gz ABVXNTGSQXHNHO-BZUAXINKSA-N 0 3 306.362 1.127 20 5 DDBDHN Cc1c(CC(=O)N[C@H]2CN(C)CC2(C)C)cccc1[N+](=O)[O-] ZINC001303989922 903188423 /nfs/dbraw/zinc/18/84/23/903188423.db2.gz UMNAGWXHERRSBP-AWEZNQCLSA-N 0 3 305.378 1.902 20 5 DDBDHN CN1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358069429 299066368 /nfs/dbraw/zinc/06/63/68/299066368.db2.gz STLAZIRADNYYRG-CYBMUJFWSA-N 0 3 313.741 1.045 20 5 DDBDHN CCc1n[nH]c(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000278571659 214245918 /nfs/dbraw/zinc/24/59/18/214245918.db2.gz KNSRYTXLAWUNOK-ZJUUUORDSA-N 0 3 309.370 1.435 20 5 DDBDHN CCc1[nH]nc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000278571659 214245921 /nfs/dbraw/zinc/24/59/21/214245921.db2.gz KNSRYTXLAWUNOK-ZJUUUORDSA-N 0 3 309.370 1.435 20 5 DDBDHN CCOc1ccc([C@H](C)NC[C@@H](O)CN(C)C)cc1[N+](=O)[O-] ZINC000153667142 290649951 /nfs/dbraw/zinc/64/99/51/290649951.db2.gz SZUHGZYVQCRGRR-WCQYABFASA-N 0 3 311.382 1.567 20 5 DDBDHN CC(C)(C)[C@H](CCO)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000181456603 199299374 /nfs/dbraw/zinc/29/93/74/199299374.db2.gz IUELUWKRLAEKLJ-ZDUSSCGKSA-N 0 3 309.366 1.920 20 5 DDBDHN COc1ccc(CNCCC2CS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000615728157 362417363 /nfs/dbraw/zinc/41/73/63/362417363.db2.gz HQADMXABILGLCZ-UHFFFAOYSA-N 0 3 314.363 1.128 20 5 DDBDHN CN1CCN(CCC(C)(C)Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000302233151 530072181 /nfs/dbraw/zinc/07/21/81/530072181.db2.gz CZOMYSUHCIPIMJ-UHFFFAOYSA-N 0 3 308.386 1.213 20 5 DDBDHN C[C@H](NCCCNS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000121262619 185773300 /nfs/dbraw/zinc/77/33/00/185773300.db2.gz VHLRUAWPKVOSRM-JTQLQIEISA-N 0 3 301.368 1.185 20 5 DDBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@@H](O)C3)o2)c1 ZINC000152473120 186076717 /nfs/dbraw/zinc/07/67/17/186076717.db2.gz CVIKAMVRXSSHBD-CYBMUJFWSA-N 0 3 303.318 1.859 20 5 DDBDHN CC(C)N1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000155698634 186104365 /nfs/dbraw/zinc/10/43/65/186104365.db2.gz QIDCXTLBTPEKTI-JSGCOSHPSA-N 0 3 305.378 1.982 20 5 DDBDHN COc1cc(C(=O)NC[C@H]2CCCN2C)cc([N+](=O)[O-])c1OC ZINC000265975346 186344532 /nfs/dbraw/zinc/34/45/32/186344532.db2.gz XBFJPTWTYRPIPH-LLVKDONJSA-N 0 3 323.349 1.436 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@H](OCCO)C2)cc1 ZINC000172293473 198072757 /nfs/dbraw/zinc/07/27/57/198072757.db2.gz SWXXYFDCEJVILC-INIZCTEOSA-N 0 3 324.377 1.837 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(O)CC1 ZINC000026227998 352206997 /nfs/dbraw/zinc/20/69/97/352206997.db2.gz XAYXAQYKMPFAAQ-UHFFFAOYSA-N 0 3 323.349 1.389 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(CO)CC2)c1 ZINC000046090530 352436885 /nfs/dbraw/zinc/43/68/85/352436885.db2.gz CFVLOGNVQCFNCJ-AWEZNQCLSA-N 0 3 310.350 1.039 20 5 DDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NCCN1CCCCCC1 ZINC000066044828 352974517 /nfs/dbraw/zinc/97/45/17/352974517.db2.gz BVZLALHIRLNFBI-UHFFFAOYSA-N 0 3 309.370 1.174 20 5 DDBDHN C[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)N(C)C ZINC000065843657 352965388 /nfs/dbraw/zinc/96/53/88/352965388.db2.gz HCNHVTFVARTVNP-LLVKDONJSA-N 0 3 304.350 1.616 20 5 DDBDHN C[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(C)C ZINC000067162002 353036601 /nfs/dbraw/zinc/03/66/01/353036601.db2.gz HGBOIRIFEKBJSP-LLVKDONJSA-N 0 3 317.349 1.460 20 5 DDBDHN CN1CCC(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000067105801 353033776 /nfs/dbraw/zinc/03/37/76/353033776.db2.gz LGQCSKUUODNLIB-UHFFFAOYSA-N 0 3 321.333 1.190 20 5 DDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)N(C)C ZINC000066611841 353007675 /nfs/dbraw/zinc/00/76/75/353007675.db2.gz IXIWCJUPPBEODR-SECBINFHSA-N 0 3 309.322 1.046 20 5 DDBDHN CN(C)[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000068340623 353105026 /nfs/dbraw/zinc/10/50/26/353105026.db2.gz YIMVXIORNIVOFX-JTQLQIEISA-N 0 3 310.329 1.482 20 5 DDBDHN C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000068065080 353084765 /nfs/dbraw/zinc/08/47/65/353084765.db2.gz QLWFMIGEBMPMSB-LBPRGKRZSA-N 0 3 307.350 1.574 20 5 DDBDHN CCC1(O)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000075859137 353383108 /nfs/dbraw/zinc/38/31/08/353383108.db2.gz RUQJBQMIXAZFMF-CQSZACIVSA-N 0 3 324.377 1.571 20 5 DDBDHN C[C@@H](c1cccs1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174752882 198380291 /nfs/dbraw/zinc/38/02/91/198380291.db2.gz JXKPKNZWVOZHHW-JQWIXIFHSA-N 0 3 310.379 1.907 20 5 DDBDHN Cc1c(NC(=O)CCN2CC[C@@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000093333211 353895249 /nfs/dbraw/zinc/89/52/49/353895249.db2.gz RFDFFFVWCCRSRD-IAQYHMDHSA-N 0 3 321.377 1.935 20 5 DDBDHN Nc1c(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000108297130 353948529 /nfs/dbraw/zinc/94/85/29/353948529.db2.gz AKIFPYRRZNTZAA-LLVKDONJSA-N 0 3 322.340 1.530 20 5 DDBDHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCN(C2CC2)CC1 ZINC000124763344 354042084 /nfs/dbraw/zinc/04/20/84/354042084.db2.gz DOGCXTYFVSLMTK-UHFFFAOYSA-N 0 3 315.333 1.391 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](CO)CC2)c1 ZINC000293114305 354454186 /nfs/dbraw/zinc/45/41/86/354454186.db2.gz LVKSBXOYNPTBIA-UKRRQHHQSA-N 0 3 324.377 1.429 20 5 DDBDHN COCCN(C)C[C@@H](O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000314680319 354487966 /nfs/dbraw/zinc/48/79/66/354487966.db2.gz KEDSNWKMENDEPL-LLVKDONJSA-N 0 3 302.302 1.052 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000590010371 355039091 /nfs/dbraw/zinc/03/90/91/355039091.db2.gz CIDCVFWUCWCRRI-IUODEOHRSA-N 0 3 318.377 1.478 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590047000 355043614 /nfs/dbraw/zinc/04/36/14/355043614.db2.gz SCONKIOSKQMRRM-DZGCQCFKSA-N 0 3 303.362 1.690 20 5 DDBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590590142 355122190 /nfs/dbraw/zinc/12/21/90/355122190.db2.gz TWGDHKQQFIQTSS-GXFFZTMASA-N 0 3 313.379 1.308 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000590443742 355097695 /nfs/dbraw/zinc/09/76/95/355097695.db2.gz GYHRDEWGBRZYHY-GWCFXTLKSA-N 0 3 305.334 1.380 20 5 DDBDHN COc1cccc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590447420 355099813 /nfs/dbraw/zinc/09/98/13/355099813.db2.gz XDCSNEKQAIPBIM-JQWIXIFHSA-N 0 3 305.334 1.380 20 5 DDBDHN CCCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592832131 355707018 /nfs/dbraw/zinc/70/70/18/355707018.db2.gz QUGPRRLZWWNPNH-CQSZACIVSA-N 0 3 321.377 1.916 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@](C)(CO)C(C)C)c1 ZINC000593028617 355774625 /nfs/dbraw/zinc/77/46/25/355774625.db2.gz IIINGUNVTVHPPE-HNNXBMFYSA-N 0 3 310.350 1.878 20 5 DDBDHN CCCN1CC[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594990796 356369390 /nfs/dbraw/zinc/36/93/90/356369390.db2.gz AITYRKXSKDFWNK-ZDUSSCGKSA-N 0 3 321.377 1.940 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@]1(O)CCN(C)C1 ZINC000595032293 356374378 /nfs/dbraw/zinc/37/43/78/356374378.db2.gz MCVGCLPUDOIYEC-NHYWBVRUSA-N 0 3 309.366 1.321 20 5 DDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](F)[C@H](N)C1 ZINC000595907492 356700628 /nfs/dbraw/zinc/70/06/28/356700628.db2.gz VRXKEYHOUATISG-ZWKOPEQDSA-N 0 3 310.329 1.293 20 5 DDBDHN O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000595944500 356716628 /nfs/dbraw/zinc/71/66/28/356716628.db2.gz ZGGSHTMGEFCABZ-GFCCVEGCSA-N 0 3 317.305 1.231 20 5 DDBDHN O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1n[n-]cc1[N+](=O)[O-] ZINC000595944500 356716632 /nfs/dbraw/zinc/71/66/32/356716632.db2.gz ZGGSHTMGEFCABZ-GFCCVEGCSA-N 0 3 317.305 1.231 20 5 DDBDHN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCOC2(CNC2)C1 ZINC000596096970 356770281 /nfs/dbraw/zinc/77/02/81/356770281.db2.gz APENXBWRXVGONN-UHFFFAOYSA-N 0 3 311.725 1.063 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CCN(C)C2)C1 ZINC000597713682 357298254 /nfs/dbraw/zinc/29/82/54/357298254.db2.gz FOKQDVSBFNBCEX-MRXNPFEDSA-N 0 3 318.377 1.856 20 5 DDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000597856855 357360361 /nfs/dbraw/zinc/36/03/61/357360361.db2.gz BJQOLYIXFJQOTR-CYBMUJFWSA-N 0 3 321.377 1.963 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000598341605 357544629 /nfs/dbraw/zinc/54/46/29/357544629.db2.gz DLSDZXKLYOUJAZ-LLVKDONJSA-N 0 3 307.350 1.818 20 5 DDBDHN Cc1n[nH]c(C(=O)NC[C@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000600474007 358234921 /nfs/dbraw/zinc/23/49/21/358234921.db2.gz WAYNTESQMBPCSP-LLVKDONJSA-N 0 3 307.354 1.373 20 5 DDBDHN COCCc1ncc(CNCCn2cc([N+](=O)[O-])cn2)s1 ZINC000601110419 358405550 /nfs/dbraw/zinc/40/55/50/358405550.db2.gz DFJDYHKODCDTHP-UHFFFAOYSA-N 0 3 311.367 1.227 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC2(CCOCC2)C1 ZINC000602778111 359184797 /nfs/dbraw/zinc/18/47/97/359184797.db2.gz BHMOQCBQHHDSJX-UHFFFAOYSA-N 0 3 308.382 1.992 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(Cn2cnnc2)CC1 ZINC000602868860 359252818 /nfs/dbraw/zinc/25/28/18/359252818.db2.gz YEEQADALLUOVPS-UHFFFAOYSA-N 0 3 319.369 1.103 20 5 DDBDHN CCNC(=O)C[C@@H]1CCCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602824935 359218336 /nfs/dbraw/zinc/21/83/36/359218336.db2.gz FTCUBGLUAXIOBJ-ZDUSSCGKSA-N 0 3 323.397 1.480 20 5 DDBDHN CCn1cc(CCN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC000602961523 359323594 /nfs/dbraw/zinc/32/35/94/359323594.db2.gz BFHSZXYXTOYNKF-MRXNPFEDSA-N 0 3 318.377 1.851 20 5 DDBDHN Cn1nccc1CCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962859 359326007 /nfs/dbraw/zinc/32/60/07/359326007.db2.gz PTBVCXPVVAZQFP-HNNXBMFYSA-N 0 3 304.350 1.368 20 5 DDBDHN C[C@](CO)(NCCN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602963016 359326035 /nfs/dbraw/zinc/32/60/35/359326035.db2.gz ROIRTBUMUCAAPI-MRXNPFEDSA-N 0 3 307.394 1.878 20 5 DDBDHN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1 ZINC000348509047 283534734 /nfs/dbraw/zinc/53/47/34/283534734.db2.gz RDWHGCMTGVQQKS-GFCCVEGCSA-N 0 3 303.322 1.351 20 5 DDBDHN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(CC2CC2)C1 ZINC000609383577 360303036 /nfs/dbraw/zinc/30/30/36/360303036.db2.gz VLZPNYQKZXMQQG-CYBMUJFWSA-N 0 3 319.361 1.574 20 5 DDBDHN CCOC(=O)CCC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000610995883 360594683 /nfs/dbraw/zinc/59/46/83/360594683.db2.gz IKVIRYCSFCYICI-UHFFFAOYSA-N 0 3 324.381 1.847 20 5 DDBDHN CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCN(C)CC1 ZINC000193321978 201028962 /nfs/dbraw/zinc/02/89/62/201028962.db2.gz HUBAPWKLWLNPRY-UHFFFAOYSA-N 0 3 317.349 1.637 20 5 DDBDHN Cc1c(CC(=O)NCC2=CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000271875893 209288841 /nfs/dbraw/zinc/28/88/41/209288841.db2.gz MHSUMABSKCCOAB-UHFFFAOYSA-N 0 3 303.362 1.824 20 5 DDBDHN C[C@](O)(CO)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000619464229 364023857 /nfs/dbraw/zinc/02/38/57/364023857.db2.gz BHCCZPKKPOFVSJ-OAHLLOKOSA-N 0 3 306.318 1.688 20 5 DDBDHN CC[C@@H]1CN(C)CCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000619566958 364063858 /nfs/dbraw/zinc/06/38/58/364063858.db2.gz CUDBQUSFACCPNA-CYBMUJFWSA-N 0 3 321.377 1.916 20 5 DDBDHN CC(C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000271837298 209256228 /nfs/dbraw/zinc/25/62/28/209256228.db2.gz TWTAPIWQUSFUFC-IUCAKERBSA-N 0 3 300.336 1.205 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@](C)(O)CN(C)C ZINC000093241633 193220680 /nfs/dbraw/zinc/22/06/80/193220680.db2.gz MPGACTBRHXRPGD-MRXNPFEDSA-N 0 3 323.393 1.562 20 5 DDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264659542 204060921 /nfs/dbraw/zinc/06/09/21/204060921.db2.gz YNARHBKMRQBJGD-CYBMUJFWSA-N 0 3 321.381 1.268 20 5 DDBDHN CC[C@H]1CCCCN1CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000265032571 204356978 /nfs/dbraw/zinc/35/69/78/204356978.db2.gz XOXVZKJKCPBUIV-NSHDSACASA-N 0 3 309.370 1.621 20 5 DDBDHN C[C@H](NC[C@@H](O)COC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000567123737 304198874 /nfs/dbraw/zinc/19/88/74/304198874.db2.gz ASLNBIVQSVQECH-MAZHCROVSA-N 0 3 324.377 1.802 20 5 DDBDHN Cc1c([C@H](C)NCC2(C(N)=O)CCOCC2)cccc1[N+](=O)[O-] ZINC000153158067 248299874 /nfs/dbraw/zinc/29/98/74/248299874.db2.gz LHRBXUNTENFOJX-LBPRGKRZSA-N 0 3 321.377 1.836 20 5 DDBDHN Cc1ccc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000284432073 218024632 /nfs/dbraw/zinc/02/46/32/218024632.db2.gz SBADETLVKFJRMB-UONOGXRCSA-N 0 3 307.394 1.790 20 5 DDBDHN Cc1c(C(=O)NC[C@](C)(O)CCN(C)C)cccc1[N+](=O)[O-] ZINC000352123521 284802245 /nfs/dbraw/zinc/80/22/45/284802245.db2.gz VNKXPFBBXYBRAH-OAHLLOKOSA-N 0 3 309.366 1.336 20 5 DDBDHN CCN1CCCC[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000110993483 194378968 /nfs/dbraw/zinc/37/89/68/194378968.db2.gz MOQSWZAKBIBYSD-GFCCVEGCSA-N 0 3 323.397 1.517 20 5 DDBDHN CCN1CCCC[C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000110994214 194379576 /nfs/dbraw/zinc/37/95/76/194379576.db2.gz QWOLEIHLDBJRKO-CYBMUJFWSA-N 0 3 320.393 1.997 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCCN([C@H](C)CO)CC1 ZINC000340859523 251247404 /nfs/dbraw/zinc/24/74/04/251247404.db2.gz AWDODEZJQVPUMY-LLVKDONJSA-N 0 3 311.386 1.013 20 5 DDBDHN CC[C@H](NC(=O)C[C@@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000269248340 207386792 /nfs/dbraw/zinc/38/67/92/207386792.db2.gz QZKVRLGGFXEOGG-KGLIPLIRSA-N 0 3 307.350 1.541 20 5 DDBDHN CN(C)[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000117786538 194847472 /nfs/dbraw/zinc/84/74/72/194847472.db2.gz KTGUJEXVNRJFJL-GFCCVEGCSA-N 0 3 311.769 1.953 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2noc(N3CCN4CCC[C@@H]4C3)n2)cc1 ZINC000486955869 285106895 /nfs/dbraw/zinc/10/68/95/285106895.db2.gz MDKIUHFPLHVWCB-CYBMUJFWSA-N 0 3 315.333 1.929 20 5 DDBDHN C[C@H]1CCNC(=O)[C@@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411698893 533658179 /nfs/dbraw/zinc/65/81/79/533658179.db2.gz VRVZMDXOKGOWMS-IINYFYTJSA-N 0 3 320.349 1.038 20 5 DDBDHN CCN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000068127854 406617264 /nfs/dbraw/zinc/61/72/64/406617264.db2.gz RHEHVWMHXDZOMU-UHFFFAOYSA-N 0 3 306.366 1.561 20 5 DDBDHN COCCOC[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000075953145 406947570 /nfs/dbraw/zinc/94/75/70/406947570.db2.gz VHEQOXDIMDCIKB-CQSZACIVSA-N 0 3 324.377 1.959 20 5 DDBDHN COCCN(CCN(C)C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000078508411 407031295 /nfs/dbraw/zinc/03/12/95/407031295.db2.gz URMMRYCCCHHOQU-CMDGGOBGSA-N 0 3 321.377 1.645 20 5 DDBDHN C[C@@H]1CCCN(CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102332300 407321558 /nfs/dbraw/zinc/32/15/58/407321558.db2.gz VKHAWOBRMHBUEZ-GFCCVEGCSA-N 0 3 323.397 1.375 20 5 DDBDHN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)N(C)C1CC1 ZINC000152043324 407549707 /nfs/dbraw/zinc/54/97/07/407549707.db2.gz MFQXOTMJDPDPMA-SNVBAGLBSA-N 0 3 309.341 1.875 20 5 DDBDHN COCCN(C)CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171199284 407627743 /nfs/dbraw/zinc/62/77/43/407627743.db2.gz WPBRHQNSJOCWDS-LBPRGKRZSA-N 0 3 324.381 1.533 20 5 DDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000272379931 407893174 /nfs/dbraw/zinc/89/31/74/407893174.db2.gz FKYVGTUJMNGDII-GFCCVEGCSA-N 0 3 318.377 1.877 20 5 DDBDHN COC[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000136626709 408113112 /nfs/dbraw/zinc/11/31/12/408113112.db2.gz LKGJSELISYXYMO-LSDHHAIUSA-N 0 3 319.361 1.715 20 5 DDBDHN CC1(C)CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CCN1 ZINC000175423057 408128757 /nfs/dbraw/zinc/12/87/57/408128757.db2.gz YGMHJVKTCYKVAO-UHFFFAOYSA-N 0 3 306.366 1.607 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000155339444 408156348 /nfs/dbraw/zinc/15/63/48/408156348.db2.gz XZVMHIZQSMTWGO-HZMBPMFUSA-N 0 3 306.366 1.757 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCN(CC3CCCCC3)CC2)n1 ZINC000176218939 408312195 /nfs/dbraw/zinc/31/21/95/408312195.db2.gz VLGXONLRJVCZQX-UHFFFAOYSA-N 0 3 321.425 1.989 20 5 DDBDHN CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)N(C)C ZINC000183622853 408457579 /nfs/dbraw/zinc/45/75/79/408457579.db2.gz PUUGHSJVIADMGX-JTQLQIEISA-N 0 3 309.370 1.278 20 5 DDBDHN COC[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000183448782 408413736 /nfs/dbraw/zinc/41/37/36/408413736.db2.gz XAMSXLPQWYPZTQ-CQSZACIVSA-N 0 3 319.361 1.499 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000177052884 408508796 /nfs/dbraw/zinc/50/87/96/408508796.db2.gz MAQJNIZZMIJFJP-YPMHNXCESA-N 0 3 303.362 1.879 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177131078 408527370 /nfs/dbraw/zinc/52/73/70/408527370.db2.gz IPPDAVNWHXXDAH-AAEUAGOBSA-N 0 3 303.362 1.879 20 5 DDBDHN CN1CC[C@H]2[C@H](CCCN2c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000192150091 408550300 /nfs/dbraw/zinc/55/03/00/408550300.db2.gz XTDHZEGWSRCGDX-OLZOCXBDSA-N 0 3 318.377 1.614 20 5 DDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000184290838 408585888 /nfs/dbraw/zinc/58/58/88/408585888.db2.gz YYSXZEVXPWQYQL-ZDUSSCGKSA-N 0 3 320.393 1.351 20 5 DDBDHN COCCN1CC[C@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000265389652 408632196 /nfs/dbraw/zinc/63/21/96/408632196.db2.gz BZDZHYNSFVCKOU-ZDUSSCGKSA-N 0 3 322.365 1.745 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](CCO)C(C)C ZINC000161825113 408642211 /nfs/dbraw/zinc/64/22/11/408642211.db2.gz MXOCWRSONQZWEX-CYBMUJFWSA-N 0 3 309.366 1.838 20 5 DDBDHN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCOC1 ZINC000162742329 408730784 /nfs/dbraw/zinc/73/07/84/408730784.db2.gz PGFDIWIJGNGDGN-DGCLKSJQSA-N 0 3 319.361 1.499 20 5 DDBDHN CNC(=O)c1ccc(N(C)CCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000184788441 408687365 /nfs/dbraw/zinc/68/73/65/408687365.db2.gz DUQFBQVGOKLVCR-UHFFFAOYSA-N 0 3 306.366 1.485 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCOC[C@H]1C ZINC000277410511 408935275 /nfs/dbraw/zinc/93/52/75/408935275.db2.gz JOPXCAYRUKQIMQ-YPMHNXCESA-N 0 3 307.350 1.856 20 5 DDBDHN CN1CC[C@@]2(CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292126286 408985824 /nfs/dbraw/zinc/98/58/24/408985824.db2.gz GXCNGAITXYUACP-MRXNPFEDSA-N 0 3 303.362 1.692 20 5 DDBDHN C[C@H](c1ccccc1)[C@H](NCCn1ccc([N+](=O)[O-])n1)C(N)=O ZINC000292180535 408995784 /nfs/dbraw/zinc/99/57/84/408995784.db2.gz MLOSPINVZFCLBK-RISCZKNCSA-N 0 3 317.349 1.039 20 5 DDBDHN C[C@@H](c1ccccc1)[C@H](NCCn1ccc([N+](=O)[O-])n1)C(N)=O ZINC000292180531 408995907 /nfs/dbraw/zinc/99/59/07/408995907.db2.gz MLOSPINVZFCLBK-FZMZJTMJSA-N 0 3 317.349 1.039 20 5 DDBDHN C[C@@H](NC[C@H]1CN(C)CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293668339 409157905 /nfs/dbraw/zinc/15/79/05/409157905.db2.gz JPMLFWIXVHELFN-YPMHNXCESA-N 0 3 307.398 1.073 20 5 DDBDHN CN1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)C1 ZINC000294096096 409239624 /nfs/dbraw/zinc/23/96/24/409239624.db2.gz KMHJTBZXUVJSQB-MRXNPFEDSA-N 0 3 318.377 1.735 20 5 DDBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)[C@@H]2CCOC2)c(Cl)c1 ZINC000280427132 409311543 /nfs/dbraw/zinc/31/15/43/409311543.db2.gz ZUXHPEDLBNTHKG-NEPJUHHUSA-N 0 3 314.769 1.983 20 5 DDBDHN C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)CN(C)C ZINC000295216163 409380642 /nfs/dbraw/zinc/38/06/42/409380642.db2.gz AMRMMPAGCXCORQ-GFCCVEGCSA-N 0 3 321.377 1.872 20 5 DDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000321979917 164046268 /nfs/dbraw/zinc/04/62/68/164046268.db2.gz OZBQQPQKLNAFRU-NWDGAFQWSA-N 0 3 323.324 1.327 20 5 DDBDHN CC(C)(O)c1ccc(CNCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000295391444 409464225 /nfs/dbraw/zinc/46/42/25/409464225.db2.gz LGKVCQXZICUSBH-UHFFFAOYSA-N 0 3 304.350 1.809 20 5 DDBDHN COC(=O)Cc1ccc(NCCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000295495614 409505146 /nfs/dbraw/zinc/50/51/46/409505146.db2.gz KICXDAZGJQNEOS-UHFFFAOYSA-N 0 3 307.350 1.816 20 5 DDBDHN CN(C)CCn1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000303042223 409524251 /nfs/dbraw/zinc/52/42/51/409524251.db2.gz SMYCBDAPWNGPQW-UHFFFAOYSA-N 0 3 303.322 1.605 20 5 DDBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)CN1CCCCC1 ZINC000296420657 409541407 /nfs/dbraw/zinc/54/14/07/409541407.db2.gz SIHHVEYHMRMHMV-CYBMUJFWSA-N 0 3 322.365 1.563 20 5 DDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356749527 409572464 /nfs/dbraw/zinc/57/24/64/409572464.db2.gz XOBUIDNKTQIXFX-MNOVXSKESA-N 0 3 307.354 1.027 20 5 DDBDHN COC[C@@H](O)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000304240251 409586214 /nfs/dbraw/zinc/58/62/14/409586214.db2.gz RUZSLOITASQDIR-NSHDSACASA-N 0 3 306.318 1.952 20 5 DDBDHN CC(C)(NC(=O)CCOC1CNC1)c1ccc([N+](=O)[O-])cc1 ZINC000348960550 409610595 /nfs/dbraw/zinc/61/05/95/409610595.db2.gz XZZHSZXRUKHUKS-UHFFFAOYSA-N 0 3 307.350 1.325 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)C[C@@H](C)[NH3+] ZINC000320604120 409905989 /nfs/dbraw/zinc/90/59/89/409905989.db2.gz XLBOBSTUGUNEAL-BDAKNGLRSA-N 0 3 317.367 1.008 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000332239816 410007563 /nfs/dbraw/zinc/00/75/63/410007563.db2.gz IOIPQZRZMLZKKB-ZJUUUORDSA-N 0 3 317.349 1.684 20 5 DDBDHN C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)CN1C ZINC000332228478 409995687 /nfs/dbraw/zinc/99/56/87/409995687.db2.gz LIEXJGVTLDXTAY-MNOVXSKESA-N 0 3 303.366 1.996 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C)[C@H](O)C1 ZINC000351776427 410224097 /nfs/dbraw/zinc/22/40/97/410224097.db2.gz BAXXJDIMACJHPG-GXFFZTMASA-N 0 3 323.349 1.245 20 5 DDBDHN COC(=O)C1CCN(CCCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000298670858 410339907 /nfs/dbraw/zinc/33/99/07/410339907.db2.gz OVIFOQFHSZIDKQ-UHFFFAOYSA-N 0 3 322.365 1.677 20 5 DDBDHN CCCN(C)CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000355592620 410595672 /nfs/dbraw/zinc/59/56/72/410595672.db2.gz YUMCSRBFQVGRRP-LBPRGKRZSA-N 0 3 321.381 1.344 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CN(C)C ZINC000299190821 410562463 /nfs/dbraw/zinc/56/24/63/410562463.db2.gz CRXRFKPIZDSTDY-NSHDSACASA-N 0 3 322.365 1.216 20 5 DDBDHN CCN1CCC(Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301100172 410655842 /nfs/dbraw/zinc/65/58/42/410655842.db2.gz KQSFTNLJSZKFQE-UHFFFAOYSA-N 0 3 320.349 1.822 20 5 DDBDHN CCc1ccc([C@H](CO)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000359625597 410779333 /nfs/dbraw/zinc/77/93/33/410779333.db2.gz NMXUKDSKLZGETN-HNNXBMFYSA-N 0 3 304.350 1.677 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000131690022 167468414 /nfs/dbraw/zinc/46/84/14/167468414.db2.gz KRHCCFUHBRPCQF-CYBMUJFWSA-N 0 3 324.381 1.309 20 5 DDBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356464314 411044437 /nfs/dbraw/zinc/04/44/37/411044437.db2.gz JQELRXYHYOSWSK-NSHDSACASA-N 0 3 309.370 1.323 20 5 DDBDHN CN(C)CCN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344446652 411104287 /nfs/dbraw/zinc/10/42/87/411104287.db2.gz ZKPLBWUENDNCAG-UHFFFAOYSA-N 0 3 324.356 1.053 20 5 DDBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2C[C@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000580446425 422933780 /nfs/dbraw/zinc/93/37/80/422933780.db2.gz LDMKTLBFGMTLTP-GDLCADMTSA-N 0 3 321.377 1.979 20 5 DDBDHN [NH3+][C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000133149186 196315626 /nfs/dbraw/zinc/31/56/26/196315626.db2.gz MTKOIRTWTQVSST-SNVBAGLBSA-N 0 3 319.770 1.264 20 5 DDBDHN C[C@@H]1CN(CCCCNc2ccncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000361073601 418577438 /nfs/dbraw/zinc/57/74/38/418577438.db2.gz LTLZZBJOFALYQU-CHWSQXEVSA-N 0 3 308.382 1.713 20 5 DDBDHN CC[C@@H]1[C@H](CO)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000385849879 418738178 /nfs/dbraw/zinc/73/81/78/418738178.db2.gz XKTKIJCYDLWFLX-QWHCGFSZSA-N 0 3 307.350 1.287 20 5 DDBDHN CCN(CC)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000411246459 418884141 /nfs/dbraw/zinc/88/41/41/418884141.db2.gz RGKPGVHLQHCSSZ-UHFFFAOYSA-N 0 3 322.365 1.300 20 5 DDBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1CCCN1C ZINC000420991713 419428799 /nfs/dbraw/zinc/42/87/99/419428799.db2.gz ALMKDELMWJXZSQ-LBPRGKRZSA-N 0 3 303.366 1.997 20 5 DDBDHN CN(C)C(=O)[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000411946398 419514526 /nfs/dbraw/zinc/51/45/26/419514526.db2.gz SKMHUWOCPHSOQE-GFCCVEGCSA-N 0 3 307.350 1.384 20 5 DDBDHN C[C@@H]1C[C@H](O)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000412037968 419584487 /nfs/dbraw/zinc/58/44/87/419584487.db2.gz NYJKOKVLTPWQKH-NEPJUHHUSA-N 0 3 307.350 1.626 20 5 DDBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2CNCCO2)c1 ZINC000415099369 419943853 /nfs/dbraw/zinc/94/38/53/419943853.db2.gz YAKPPEPNUHGGMQ-NSHDSACASA-N 0 3 317.292 1.274 20 5 DDBDHN CCC[C@@H](NC[C@H]1CNCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423488443 420060292 /nfs/dbraw/zinc/06/02/92/420060292.db2.gz YYRCHESTAFPLAW-HZPDHXFCSA-N 0 3 306.410 1.929 20 5 DDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCNC[C@](C)(F)C1 ZINC000420330689 420215074 /nfs/dbraw/zinc/21/50/74/420215074.db2.gz LNYSJIQWYPUKCL-NHYWBVRUSA-N 0 3 324.356 1.555 20 5 DDBDHN Cc1ccc([C@@H](C)NCCC(=O)N2CCNCC2)cc1[N+](=O)[O-] ZINC000420416205 420271697 /nfs/dbraw/zinc/27/16/97/420271697.db2.gz VJRDFBOEJHLODM-CYBMUJFWSA-N 0 3 320.393 1.376 20 5 DDBDHN CN1CC[C@@](O)(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436338278 420321857 /nfs/dbraw/zinc/32/18/57/420321857.db2.gz BRHJFFAQOSAFRF-LLVKDONJSA-N 0 3 320.271 1.487 20 5 DDBDHN CCc1ccccc1[C@@H](N)CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000423983784 420291359 /nfs/dbraw/zinc/29/13/59/420291359.db2.gz TZMOZDJFQAIGQB-ZDUSSCGKSA-N 0 3 317.349 1.170 20 5 DDBDHN CO[C@H](CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000425417022 420379903 /nfs/dbraw/zinc/37/99/03/420379903.db2.gz MCMKCXUHJTZZNE-GXTWGEPZSA-N 0 3 306.366 1.901 20 5 DDBDHN CC1(C)CCCN1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000457079743 420604658 /nfs/dbraw/zinc/60/46/58/420604658.db2.gz SMHFVHUJNCBOGN-UHFFFAOYSA-N 0 3 321.377 1.964 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCC[C@]1(C)CO ZINC000492892905 420700545 /nfs/dbraw/zinc/70/05/45/420700545.db2.gz PHNPNZBDXRMFSQ-CZUORRHYSA-N 0 3 321.377 1.982 20 5 DDBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H]1CNCCC1(F)F ZINC000493094682 420756611 /nfs/dbraw/zinc/75/66/11/420756611.db2.gz RPVDIBMVBBLNKP-UXONFWTHSA-N 0 3 311.288 1.721 20 5 DDBDHN O=C(NC[C@H]1CCCN1CCCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000454276411 420829217 /nfs/dbraw/zinc/82/92/17/420829217.db2.gz ORRBBUICXQUKKD-CQSZACIVSA-N 0 3 322.365 1.563 20 5 DDBDHN COc1ccc(C(=O)N[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000449655985 421047645 /nfs/dbraw/zinc/04/76/45/421047645.db2.gz IRBAZTNQPOTBGV-NSHDSACASA-N 0 3 315.276 1.330 20 5 DDBDHN C[C@@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])N(C)C ZINC000455432453 421013881 /nfs/dbraw/zinc/01/38/81/421013881.db2.gz NHXBXZADENEBEO-LBPRGKRZSA-N 0 3 308.382 1.729 20 5 DDBDHN Cc1cc(F)ccc1CN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000488014529 421063281 /nfs/dbraw/zinc/06/32/81/421063281.db2.gz ZBEDDJMRCWEWRA-HNNXBMFYSA-N 0 3 322.340 1.732 20 5 DDBDHN Cc1nc(N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450539285 421207515 /nfs/dbraw/zinc/20/75/15/421207515.db2.gz JMAMGXCROZNZDX-DMDPSCGWSA-N 0 3 305.382 1.860 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCN1C ZINC000525620062 421293393 /nfs/dbraw/zinc/29/33/93/421293393.db2.gz ZESTYBXVEDMQJH-VHSXEESVSA-N 0 3 321.333 1.536 20 5 DDBDHN COCC(COC)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000515467689 421505312 /nfs/dbraw/zinc/50/53/12/421505312.db2.gz JBQQFMSKOZAPJM-UHFFFAOYSA-N 0 3 311.338 1.174 20 5 DDBDHN O=C(CNC1(C2CC2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000542520775 421823535 /nfs/dbraw/zinc/82/35/35/421823535.db2.gz JCTHZXQKPFFFEV-UHFFFAOYSA-N 0 3 319.317 1.794 20 5 DDBDHN O=C(CCNC[C@@H](O)C(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000572880742 421875994 /nfs/dbraw/zinc/87/59/94/421875994.db2.gz LGXLCJPFFYAINE-SNVBAGLBSA-N 0 3 303.265 1.139 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(C)C[C@H]1CN ZINC000574176084 422070651 /nfs/dbraw/zinc/07/06/51/422070651.db2.gz OXCUFRSITIVMGZ-GFCCVEGCSA-N 0 3 321.381 1.318 20 5 DDBDHN COc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1C ZINC000582160363 422119054 /nfs/dbraw/zinc/11/90/54/422119054.db2.gz NBWOBNBXVMBVGF-CQSZACIVSA-N 0 3 320.349 1.259 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000600271936 422409354 /nfs/dbraw/zinc/40/93/54/422409354.db2.gz RUIWBKLHZNNGIE-SNVBAGLBSA-N 0 3 321.333 1.190 20 5 DDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN1C ZINC000600271935 422410335 /nfs/dbraw/zinc/41/03/35/422410335.db2.gz RQLGJUXIEXLIDA-LLVKDONJSA-N 0 3 307.350 1.818 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H](O)[C@@H]1CCOC1)CCC2 ZINC000578721517 422628321 /nfs/dbraw/zinc/62/83/21/422628321.db2.gz QQRDIMCGUFJWGS-WQVCFCJDSA-N 0 3 306.362 1.959 20 5 DDBDHN CS[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000342699383 271480278 /nfs/dbraw/zinc/48/02/78/271480278.db2.gz IFBTZDNRDDHWCZ-VXGBXAGGSA-N 0 3 324.406 1.176 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCC1(CO)COC1)CCCC2 ZINC000417313913 275038153 /nfs/dbraw/zinc/03/81/53/275038153.db2.gz XKNTVXDLVQMDIC-OAHLLOKOSA-N 0 3 306.362 1.961 20 5 DDBDHN CN1CCC[C@@]2(CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C2)C1 ZINC000338745491 277072965 /nfs/dbraw/zinc/07/29/65/277072965.db2.gz NRNFZRVTPWPINX-MRXNPFEDSA-N 0 3 318.377 1.616 20 5 DDBDHN CC1(C)CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCN1 ZINC000212605919 278343302 /nfs/dbraw/zinc/34/33/02/278343302.db2.gz VKAMCEQJHVYUED-UHFFFAOYSA-N 0 3 313.379 1.187 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)C[NH3+])cc1C ZINC000447245749 280655536 /nfs/dbraw/zinc/65/55/36/280655536.db2.gz NRBZMAHECZUKOL-QMMMGPOBSA-N 0 3 301.368 1.085 20 5 DDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000288590594 297262530 /nfs/dbraw/zinc/26/25/30/297262530.db2.gz YBGGPJKZVBMZRW-VXGBXAGGSA-N 0 3 318.377 1.876 20 5 DDBDHN CN1CC[C@@](O)(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000358061661 299061913 /nfs/dbraw/zinc/06/19/13/299061913.db2.gz HAKURBFZOLYZTI-CYBMUJFWSA-N 0 3 313.741 1.045 20 5 DDBDHN O=[N+]([O-])c1ccccc1CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000369282393 301156158 /nfs/dbraw/zinc/15/61/58/301156158.db2.gz ZUHJQAROACAONE-JKSUJKDBSA-N 0 3 305.378 1.626 20 5 DDBDHN O=[N+]([O-])c1ccccc1CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000369282390 301156447 /nfs/dbraw/zinc/15/64/47/301156447.db2.gz ZUHJQAROACAONE-CVEARBPZSA-N 0 3 305.378 1.626 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]3OCC[C@H]32)c1 ZINC000369788480 301225131 /nfs/dbraw/zinc/22/51/31/301225131.db2.gz SKCUFFRRNVNHBM-NUEKZKHPSA-N 0 3 322.361 1.588 20 5 DDBDHN CN1CCC[C@@H](N2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)C1 ZINC000376176628 302045814 /nfs/dbraw/zinc/04/58/14/302045814.db2.gz YCGNTZGDKWVNME-CQSZACIVSA-N 0 3 319.409 1.393 20 5 DDBDHN Cc1cccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000377481537 302183945 /nfs/dbraw/zinc/18/39/45/302183945.db2.gz LZKAHZGMXOUWRT-CHWSQXEVSA-N 0 3 319.361 1.496 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1N1CCC(OCCN(C)C)CC1 ZINC000356210855 306843509 /nfs/dbraw/zinc/84/35/09/306843509.db2.gz GAUFMFCCUYFMCT-UHFFFAOYSA-N 0 3 308.382 1.845 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC12CCN(C)CC2 ZINC000534349269 303332652 /nfs/dbraw/zinc/33/26/52/303332652.db2.gz OFIQHTDXQPVYHI-UHFFFAOYSA-N 0 3 306.366 1.634 20 5 DDBDHN CN(C)CCN(Cc1ccco1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548090698 303570707 /nfs/dbraw/zinc/57/07/07/303570707.db2.gz KMQVGWAVENVIGV-UHFFFAOYSA-N 0 3 307.310 1.115 20 5 DDBDHN COC(=O)[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC12CCC2 ZINC000373175647 307181201 /nfs/dbraw/zinc/18/12/01/307181201.db2.gz ANLBMMHJLVXJDV-LLVKDONJSA-N 0 3 308.338 1.066 20 5 DDBDHN COc1cc(N2CCCN(CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000377837793 307277112 /nfs/dbraw/zinc/27/71/12/307277112.db2.gz RCISAPJGUQYAHV-UHFFFAOYSA-N 0 3 322.409 1.677 20 5 DDBDHN N[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCC1 ZINC000583629370 336001174 /nfs/dbraw/zinc/00/11/74/336001174.db2.gz FAMURIUHKJNLNV-CYBMUJFWSA-N 0 3 307.354 1.082 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](c3cccnc3)C2)c1 ZINC000582724549 337125663 /nfs/dbraw/zinc/12/56/63/337125663.db2.gz ZVZXYFQCZZVFDK-UKRRQHHQSA-N 0 3 317.349 1.037 20 5 DDBDHN CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361591242 484521856 /nfs/dbraw/zinc/52/18/56/484521856.db2.gz YPNRDUHHDYWNKI-STQMWFEESA-N 0 3 310.350 1.445 20 5 DDBDHN COc1cc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000293009844 533882751 /nfs/dbraw/zinc/88/27/51/533882751.db2.gz NVIAFXMYTJEFJR-BONVTDFDSA-N 0 3 310.350 1.950 20 5 DDBDHN CC(C)N1CC[C@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000457137206 529074002 /nfs/dbraw/zinc/07/40/02/529074002.db2.gz XDRRAHPYLJUSIY-LBPRGKRZSA-N 0 3 309.370 1.123 20 5 DDBDHN CC[C@@](C)(CC(=O)OC)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000134077652 696833840 /nfs/dbraw/zinc/83/38/40/696833840.db2.gz IYRFHGPUKOOYHH-HNNXBMFYSA-N 0 3 323.349 1.515 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(CCCCCCO)CC2)cn1 ZINC000750176926 700207993 /nfs/dbraw/zinc/20/79/93/700207993.db2.gz CFKPQRDAPUJWCX-UHFFFAOYSA-N 0 3 308.382 1.665 20 5 DDBDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCC[N+](=O)[O-])CC1 ZINC000791053324 699608872 /nfs/dbraw/zinc/60/88/72/699608872.db2.gz DGTYLZIGXDRQLI-CYBMUJFWSA-N 0 3 324.400 1.895 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000758332461 700699194 /nfs/dbraw/zinc/69/91/94/700699194.db2.gz BJFDNSBOFSVNLQ-NOZJJQNGSA-N 0 3 307.325 1.946 20 5 DDBDHN C[C@@H]1CN(Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H](C)N1C ZINC000840087850 701961091 /nfs/dbraw/zinc/96/10/91/701961091.db2.gz BQLFTZCGJKFZHR-TXEJJXNPSA-N 0 3 303.366 1.926 20 5 DDBDHN COCc1nnc(-c2cccc(C(=O)OCC(C)[N+](=O)[O-])c2)o1 ZINC000813103109 702291370 /nfs/dbraw/zinc/29/13/70/702291370.db2.gz NVTLHLUUUAYCIW-SECBINFHSA-N 0 3 321.289 1.705 20 5 DDBDHN CC(COC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C)[N+](=O)[O-] ZINC000813106479 702293308 /nfs/dbraw/zinc/29/33/08/702293308.db2.gz DCZJXJPERAEBCL-NXEZZACHSA-N 0 3 318.395 1.533 20 5 DDBDHN Cc1ccc(C(=O)N[C@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C)cc1 ZINC000813108776 702294910 /nfs/dbraw/zinc/29/49/10/702294910.db2.gz ALNOHVROLCKLJA-JSGCOSHPSA-N 0 3 322.361 1.958 20 5 DDBDHN CC(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)[N+](=O)[O-] ZINC000813109625 702296037 /nfs/dbraw/zinc/29/60/37/702296037.db2.gz UUISRIDUQSWRMJ-ZETCQYMHSA-N 0 3 323.273 1.505 20 5 DDBDHN CC(COC(=O)c1cc(S(C)(=O)=O)ccc1Cl)[N+](=O)[O-] ZINC000813111155 702297147 /nfs/dbraw/zinc/29/71/47/702297147.db2.gz PDRQKRAFJKOIGQ-SSDOTTSWSA-N 0 3 321.738 1.566 20 5 DDBDHN CC(COC(=O)CN1C(=O)CSc2ccccc21)[N+](=O)[O-] ZINC000813114826 702299385 /nfs/dbraw/zinc/29/93/85/702299385.db2.gz HKANWNPJWNDRMB-SECBINFHSA-N 0 3 310.331 1.334 20 5 DDBDHN CC([C@@H](OC(=O)[C@@H]1COCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845873153 703211289 /nfs/dbraw/zinc/21/12/89/703211289.db2.gz BUOFEQXHVSTHEX-JIMOISOXSA-N 0 3 313.281 1.491 20 5 DDBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC(=O)N(C)C1 ZINC000846921251 703351984 /nfs/dbraw/zinc/35/19/84/703351984.db2.gz REWZLMBIIVVDEW-KGLIPLIRSA-N 0 3 307.350 1.181 20 5 DDBDHN CC(C)(C)N1C[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000819126075 704073007 /nfs/dbraw/zinc/07/30/07/704073007.db2.gz IAQNRBCJLKSHPQ-TZMCWYRMSA-N 0 3 321.377 1.617 20 5 DDBDHN COc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874827847 705186608 /nfs/dbraw/zinc/18/66/08/705186608.db2.gz DULZTCRMSKXMSF-STQMWFEESA-N 0 3 319.361 1.912 20 5 DDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000863032903 705852416 /nfs/dbraw/zinc/85/24/16/705852416.db2.gz QVVATGIPHMILRV-NSHDSACASA-N 0 3 319.365 1.319 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(CCn3cnnn3)C2)cc1 ZINC000878679163 706466936 /nfs/dbraw/zinc/46/69/36/706466936.db2.gz ULIHYFPWEAMHIC-CYBMUJFWSA-N 0 3 302.338 1.461 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC=C[C@H]1CO ZINC000880490415 706992650 /nfs/dbraw/zinc/99/26/50/706992650.db2.gz QLSRBPKTHHPUAS-ZDUSSCGKSA-N 0 3 305.334 1.465 20 5 DDBDHN CC(COC(=O)C1([C@@H]2CCCCO2)CCOCC1)[N+](=O)[O-] ZINC000873532372 707888226 /nfs/dbraw/zinc/88/82/26/707888226.db2.gz GUTSXNYYBXWZKY-RYUDHWBXSA-N 0 3 301.339 1.561 20 5 DDBDHN O=C(OCCN1CCCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838287675 707888562 /nfs/dbraw/zinc/88/85/62/707888562.db2.gz ZXZJIBXHTOLACW-CQSZACIVSA-N 0 3 308.334 1.657 20 5 DDBDHN Cc1cc(OCC(=O)N[C@H]2CCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000928438150 713195771 /nfs/dbraw/zinc/19/57/71/713195771.db2.gz SQQVRENQUJVQMG-AAEUAGOBSA-N 0 3 307.350 1.491 20 5 DDBDHN COc1cc([C@@H](C)N[C@H]2CCC(=O)N(C)C2)cc([N+](=O)[O-])c1 ZINC000903098360 711031472 /nfs/dbraw/zinc/03/14/72/711031472.db2.gz NPAWHJAFXDKZKC-PWSUYJOCSA-N 0 3 307.350 1.875 20 5 DDBDHN Cc1ccc([C@H](C)NC[C@@]2(CO)COCCN2C)cc1[N+](=O)[O-] ZINC000903285922 711089037 /nfs/dbraw/zinc/08/90/37/711089037.db2.gz WTZZCEKOIZQUEN-XJKSGUPXSA-N 0 3 323.393 1.247 20 5 DDBDHN Cc1nn(C)c(NC[C@H]2CCN2C2CCOCC2)c1[N+](=O)[O-] ZINC000896515827 711736490 /nfs/dbraw/zinc/73/64/90/711736490.db2.gz KOCLAVCLDRLEAJ-GFCCVEGCSA-N 0 3 309.370 1.302 20 5 DDBDHN O=C(NCCN1CCCC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000929461204 713615463 /nfs/dbraw/zinc/61/54/63/713615463.db2.gz GHYACIMYXHBMTN-GJZGRUSLSA-N 0 3 303.362 1.910 20 5 DDBDHN CC1(C)CNC(=O)[C@@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926112775 715007603 /nfs/dbraw/zinc/00/76/03/715007603.db2.gz FIFVSXGUNPTOKP-LBPRGKRZSA-N 0 3 311.769 1.905 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1=CCOCC1 ZINC001126115131 738318866 /nfs/dbraw/zinc/31/88/66/738318866.db2.gz VPTJLMDFVDOAPX-UHFFFAOYSA-N 0 3 305.334 1.147 20 5 DDBDHN COc1c([O-])ccc(C[NH2+][C@H]2CCC[C@H]2CCO)c1[N+](=O)[O-] ZINC001181125090 743073910 /nfs/dbraw/zinc/07/39/10/743073910.db2.gz JAZZXTCUXGXRRQ-JQWIXIFHSA-N 0 3 310.350 1.950 20 5 DDBDHN COCC1(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001126979849 743454981 /nfs/dbraw/zinc/45/49/81/743454981.db2.gz SAJWVRSPDVGBJT-UHFFFAOYSA-N 0 3 321.377 1.617 20 5 DDBDHN COc1ccc(C[C@H](C)NCC(=O)NC2CC2)c([N+](=O)[O-])c1 ZINC001170300100 766228429 /nfs/dbraw/zinc/22/84/29/766228429.db2.gz WXZYAUBGZQAICR-JTQLQIEISA-N 0 3 307.350 1.403 20 5 DDBDHN CCN(C)C(C)(C)C(=O)NCCNc1ncc([N+](=O)[O-])cc1C ZINC001093952429 775260299 /nfs/dbraw/zinc/26/02/99/775260299.db2.gz BZYYVOXTEPMMAK-UHFFFAOYSA-N 0 3 323.397 1.557 20 5 DDBDHN CCCN(C)CC(=O)NCCN(CC)c1ccccc1[N+](=O)[O-] ZINC001100576710 776320329 /nfs/dbraw/zinc/32/03/29/776320329.db2.gz PJANZPMGZQJTNS-UHFFFAOYSA-N 0 3 322.409 1.879 20 5 DDBDHN CN(CCNc1ccc(F)cc1[N+](=O)[O-])C(=O)CN1CCCC1 ZINC001101633497 777329703 /nfs/dbraw/zinc/32/97/03/777329703.db2.gz VJENGTFUIGRMCQ-UHFFFAOYSA-N 0 3 324.356 1.700 20 5 DDBDHN CN(C)C1(C(=O)N(C)CCNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001101811130 777551290 /nfs/dbraw/zinc/55/12/90/777551290.db2.gz MAPZFZLRLQIBON-UHFFFAOYSA-N 0 3 320.393 1.949 20 5 DDBDHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cnon1 ZINC001273668466 851203469 /nfs/dbraw/zinc/20/34/69/851203469.db2.gz RIGTZVPQNUXLKB-UHFFFAOYSA-N 0 3 319.321 1.230 20 5 DDBDHN Cc1ocnc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001124375142 859695363 /nfs/dbraw/zinc/69/53/63/859695363.db2.gz CFZBHFDTUVXHSK-UHFFFAOYSA-N 0 3 304.306 1.411 20 5 DDBDHN COc1ncnc(-n2nc(CN)c3ccccc32)c1[N+](=O)[O-] ZINC001156855759 863400103 /nfs/dbraw/zinc/40/01/03/863400103.db2.gz PQVWJCOQDHVUEC-UHFFFAOYSA-N 0 3 300.278 1.191 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NOCCN(C)C)c1 ZINC001330820574 864633244 /nfs/dbraw/zinc/63/32/44/864633244.db2.gz XRVQVNLFOQHCJK-UHFFFAOYSA-N 0 3 311.338 1.282 20 5 DDBDHN C[C@@H](Nc1ccc2cccc([N+](=O)[O-])c2n1)[C@@H]1CNCCO1 ZINC001159498838 865350659 /nfs/dbraw/zinc/35/06/59/865350659.db2.gz RMYXGYNDRNSIAN-MFKMUULPSA-N 0 3 302.334 1.932 20 5 DDBDHN CC(C)Oc1nc(N[C@@H](C)[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001159503182 865365126 /nfs/dbraw/zinc/36/51/26/865365126.db2.gz UOATVXOTJJDRHW-JQWIXIFHSA-N 0 3 310.354 1.566 20 5 DDBDHN COC(=O)c1cccc([N+](=O)[O-])c1CO[C@@H]1CN2CCC1CC2 ZINC001222773582 880693272 /nfs/dbraw/zinc/69/32/72/880693272.db2.gz LOTRGDSPPDAPLS-OAHLLOKOSA-N 0 3 320.345 1.992 20 5 DDBDHN COCC[NH+]1CCC(Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CC1 ZINC001227747017 883155289 /nfs/dbraw/zinc/15/52/89/883155289.db2.gz XMSQJGRRMRGVBR-UHFFFAOYSA-N 0 3 320.349 1.961 20 5 DDBDHN CCOCC(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001231406526 885621314 /nfs/dbraw/zinc/62/13/14/885621314.db2.gz LJZVYVQPNUUNQI-UHFFFAOYSA-N 0 3 309.366 1.569 20 5 DDBDHN Cc1c(CC(=O)N[C@@H]2CN3CCC2CC3)cccc1[N+](=O)[O-] ZINC001262639064 900282050 /nfs/dbraw/zinc/28/20/50/900282050.db2.gz RHSPKWJSBICKAM-CQSZACIVSA-N 0 3 303.362 1.656 20 5 DDBDHN CN1CCCC[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC001262653564 900286349 /nfs/dbraw/zinc/28/63/49/900286349.db2.gz KOHXNOQTNKMFDQ-LBPRGKRZSA-N 0 3 307.350 1.574 20 5 DDBDHN CSCC[C@@H](N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286856284 219196707 /nfs/dbraw/zinc/19/67/07/219196707.db2.gz XMLWAPIGLSGPKI-SECBINFHSA-N 0 3 309.351 1.490 20 5 DDBDHN COc1cc(C(=O)N(C)CCN(C)C)c([N+](=O)[O-])cc1OC ZINC000080394561 192154701 /nfs/dbraw/zinc/15/47/01/192154701.db2.gz CMJIMOJAEPMWNJ-UHFFFAOYSA-N 0 3 311.338 1.246 20 5 DDBDHN CN(C)C[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139631266 186023044 /nfs/dbraw/zinc/02/30/44/186023044.db2.gz LZKHTXHSYXCOFY-CYBMUJFWSA-N 0 3 315.757 1.291 20 5 DDBDHN CCOC(=O)CC[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000564844727 304018955 /nfs/dbraw/zinc/01/89/55/304018955.db2.gz LXAPTORLNDVNBH-RISCZKNCSA-N 0 3 310.350 1.950 20 5 DDBDHN C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000057713381 352825815 /nfs/dbraw/zinc/82/58/15/352825815.db2.gz UXFKKSOWYPLXEK-GFCCVEGCSA-N 0 3 320.393 1.996 20 5 DDBDHN COCCN1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173259075 198203016 /nfs/dbraw/zinc/20/30/16/198203016.db2.gz GPPBFSGRQGNWOE-UHFFFAOYSA-N 0 3 321.377 1.364 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCCC2)c1 ZINC000063732393 352921936 /nfs/dbraw/zinc/92/19/36/352921936.db2.gz LYFIIYGDAITWQN-NSHDSACASA-N 0 3 307.350 1.818 20 5 DDBDHN CCN1CCC(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000067785616 353067046 /nfs/dbraw/zinc/06/70/46/353067046.db2.gz HBSODCKGIVWJCZ-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(C(F)(F)F)CC2)c1 ZINC000174190726 198303596 /nfs/dbraw/zinc/30/35/96/198303596.db2.gz ZENARTSZJNURAG-NSHDSACASA-N 0 3 322.287 1.427 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000108299169 353948961 /nfs/dbraw/zinc/94/89/61/353948961.db2.gz WDWPHJIVBATRHB-LBPRGKRZSA-N 0 3 304.350 1.512 20 5 DDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000108307430 353950302 /nfs/dbraw/zinc/95/03/02/353950302.db2.gz SMJUTGSIRMKRPW-LLVKDONJSA-N 0 3 307.325 1.948 20 5 DDBDHN Cc1nn(C[C@H](O)CN(C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000303369521 354462487 /nfs/dbraw/zinc/46/24/87/354462487.db2.gz JTWTWUWOEDDCMG-OAHLLOKOSA-N 0 3 318.377 1.901 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)C[C@H](C)[NH3+] ZINC000320116860 354524840 /nfs/dbraw/zinc/52/48/40/354524840.db2.gz OOMXOIHKIISLFJ-VHSXEESVSA-N 0 3 301.368 1.307 20 5 DDBDHN CC(C)N1CCN([C@H]2CCN(c3ccncc3[N+](=O)[O-])C2)CC1 ZINC000588823292 354939479 /nfs/dbraw/zinc/93/94/79/354939479.db2.gz JOSZDKFLNUWMBH-AWEZNQCLSA-N 0 3 319.409 1.595 20 5 DDBDHN CN(CC(=O)N1CC[C@H]2CN(C)C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000590046411 355043411 /nfs/dbraw/zinc/04/34/11/355043411.db2.gz CKRSECMEWLYSPC-WFASDCNBSA-N 0 3 318.377 1.194 20 5 DDBDHN COc1ccc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590442360 355096594 /nfs/dbraw/zinc/09/65/94/355096594.db2.gz FNKLKDCVNYVVSW-WCQYABFASA-N 0 3 305.334 1.380 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000590776544 355176285 /nfs/dbraw/zinc/17/62/85/355176285.db2.gz WTRAZEUXFVHQJA-HIFRSBDPSA-N 0 3 303.362 1.690 20 5 DDBDHN COC(=O)CCNC(=O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000591024237 355235046 /nfs/dbraw/zinc/23/50/46/355235046.db2.gz AEHCGKRWQXTPPZ-LLVKDONJSA-N 0 3 323.349 1.315 20 5 DDBDHN CN1CCC[C@@H](N2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)C1 ZINC000591147175 355255150 /nfs/dbraw/zinc/25/51/50/355255150.db2.gz BRTZVXQXCRBBSK-GFCCVEGCSA-N 0 3 323.372 1.345 20 5 DDBDHN Cc1cnccc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591761407 355379443 /nfs/dbraw/zinc/37/94/43/355379443.db2.gz ICZQAEYUUWQZDL-HNNXBMFYSA-N 0 3 317.345 1.828 20 5 DDBDHN CN1CCC2(CC1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 ZINC000592900360 355734769 /nfs/dbraw/zinc/73/47/69/355734769.db2.gz ZWTFKCIBWGPANB-UHFFFAOYSA-N 0 3 309.322 1.125 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CC(=O)N(CC)C1 ZINC000593691100 355968418 /nfs/dbraw/zinc/96/84/18/355968418.db2.gz ZREMJGTXEWJMGI-GFCCVEGCSA-N 0 3 321.377 1.952 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN3CCCC[C@H]23)n1 ZINC000594198979 356137906 /nfs/dbraw/zinc/13/79/06/356137906.db2.gz WXAPPBXZEBOZSJ-WDEREUQCSA-N 0 3 307.354 1.075 20 5 DDBDHN CC(C)c1ccc(CN2CCN3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594613716 356266459 /nfs/dbraw/zinc/26/64/59/356266459.db2.gz RDZUPQVFXXOYOW-LSDHHAIUSA-N 0 3 319.405 1.969 20 5 DDBDHN CCOCCOC[C@H](O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594498958 356238752 /nfs/dbraw/zinc/23/87/52/356238752.db2.gz DTJZAGIXBZQDJM-DOMZBBRYSA-N 0 3 324.377 1.586 20 5 DDBDHN NC[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000594523971 356242178 /nfs/dbraw/zinc/24/21/78/356242178.db2.gz FZDRZUWSMRNNJA-SNVBAGLBSA-N 0 3 320.271 1.326 20 5 DDBDHN COCCC1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000594718872 356295340 /nfs/dbraw/zinc/29/53/40/356295340.db2.gz WYTGIZJVVVQEDT-UHFFFAOYSA-N 0 3 307.350 1.892 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCNCc2cnc3n2CCC3)cc1 ZINC000594924365 356355594 /nfs/dbraw/zinc/35/55/94/356355594.db2.gz MRQWPQHGVZGUDM-UHFFFAOYSA-N 0 3 302.334 1.906 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CC[C@H](C(N)=O)C1 ZINC000595052052 356376674 /nfs/dbraw/zinc/37/66/74/356376674.db2.gz QIMOLWJIROXOQT-OUAUKWLOSA-N 0 3 307.350 1.908 20 5 DDBDHN COc1ccc(OCCN2C[C@H](C)C(O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000595742407 356631481 /nfs/dbraw/zinc/63/14/81/356631481.db2.gz GARUDNIRZYTCEU-RYUDHWBXSA-N 0 3 324.377 1.931 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3ccon3)CC2)c1 ZINC000595828809 356666683 /nfs/dbraw/zinc/66/66/83/356666683.db2.gz MXMFUEKJJDELOS-ZDUSSCGKSA-N 0 3 321.337 1.020 20 5 DDBDHN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](CN)C(F)(F)F ZINC000595907295 356701108 /nfs/dbraw/zinc/70/11/08/356701108.db2.gz ICOJALORHGQAKH-SNVBAGLBSA-N 0 3 320.271 1.355 20 5 DDBDHN O=[N+]([O-])c1cnc(N2CCC(N3CCCOCC3)CC2)s1 ZINC000596268652 356839096 /nfs/dbraw/zinc/83/90/96/356839096.db2.gz NPRSULHMEGKWCG-UHFFFAOYSA-N 0 3 312.395 1.742 20 5 DDBDHN COc1cc(OCC(=O)N2C[C@H](C)NC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000237226035 202196192 /nfs/dbraw/zinc/19/61/92/202196192.db2.gz JHRVOPLUIPHMGD-QWRGUYRKSA-N 0 3 323.349 1.191 20 5 DDBDHN COC(=O)c1ccnc(NC[C@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC000598592662 357645283 /nfs/dbraw/zinc/64/52/83/357645283.db2.gz LHCKTVBCJOSSDF-VIFPVBQESA-N 0 3 308.338 1.671 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCN1CC[C@H](O)C1 ZINC000599199800 357847771 /nfs/dbraw/zinc/84/77/71/357847771.db2.gz QRUNJJXQAZALOU-NSHDSACASA-N 0 3 323.349 1.168 20 5 DDBDHN O=C(NC[C@H]1CCN1C1CCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000600228815 358163732 /nfs/dbraw/zinc/16/37/32/358163732.db2.gz GCFURIBEROCQMH-LLVKDONJSA-N 0 3 307.354 1.455 20 5 DDBDHN CC1(C)C[C@@H](NC[C@H]2COCCN2)c2cc([N+](=O)[O-])ccc21 ZINC000600710195 358290965 /nfs/dbraw/zinc/29/09/65/358290965.db2.gz MOLYBSQQGQYEOI-XHDPSFHLSA-N 0 3 305.378 1.895 20 5 DDBDHN O=C(NC[C@H]1CCN(C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601006290 358379029 /nfs/dbraw/zinc/37/90/29/358379029.db2.gz UNHAHNGHXWANRE-SNVBAGLBSA-N 0 3 307.325 1.948 20 5 DDBDHN CCN1CCN([C@H](C)CNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601105310 358403464 /nfs/dbraw/zinc/40/34/64/358403464.db2.gz ZJGFONCONZHBPS-LLVKDONJSA-N 0 3 311.361 1.567 20 5 DDBDHN CCN(CC)CC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601773830 358688890 /nfs/dbraw/zinc/68/88/90/358688890.db2.gz BIBNEJHBQXBFPD-HNNXBMFYSA-N 0 3 309.366 1.260 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C[C@@H]1CCC(=O)N1)C(C)C ZINC000602845301 359234189 /nfs/dbraw/zinc/23/41/89/359234189.db2.gz HKBGJMGJFCJPDG-LBPRGKRZSA-N 0 3 309.370 1.089 20 5 DDBDHN CCNC(=O)C[C@H]1CCCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602824934 359218796 /nfs/dbraw/zinc/21/87/96/359218796.db2.gz FTCUBGLUAXIOBJ-CYBMUJFWSA-N 0 3 323.397 1.480 20 5 DDBDHN C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1 ZINC000237431816 202263759 /nfs/dbraw/zinc/26/37/59/202263759.db2.gz VQQRLVNQKJUBIY-GHMZBOCLSA-N 0 3 309.391 1.896 20 5 DDBDHN C[C@H](NCc1ccccc1[N+](=O)[O-])C1CCS(=O)(=O)CC1 ZINC000187317462 200093841 /nfs/dbraw/zinc/09/38/41/200093841.db2.gz NLZJSDCTCSXPAT-NSHDSACASA-N 0 3 312.391 1.898 20 5 DDBDHN C[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)N(C)C ZINC000359035549 299312960 /nfs/dbraw/zinc/31/29/60/299312960.db2.gz BMGPUIBMQZXIFC-QMMMGPOBSA-N 0 3 317.292 1.876 20 5 DDBDHN CC1(C)[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000271899467 209308261 /nfs/dbraw/zinc/30/82/61/209308261.db2.gz VHSVESKTYMEWJP-VCTAVGKDSA-N 0 3 319.361 1.936 20 5 DDBDHN O=C1CNC(=O)N1CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193286593 201020232 /nfs/dbraw/zinc/02/02/32/201020232.db2.gz ICRUSAJKUPAQED-CYBMUJFWSA-N 0 3 318.333 1.114 20 5 DDBDHN CCN1CCC[C@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000194632412 201266269 /nfs/dbraw/zinc/26/62/69/201266269.db2.gz WTYVKCHSCUIKMR-LBPRGKRZSA-N 0 3 307.350 1.818 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264939351 204286510 /nfs/dbraw/zinc/28/65/10/204286510.db2.gz VJMUCCSPRPEXSX-LLVKDONJSA-N 0 3 302.334 1.900 20 5 DDBDHN CN(C)CCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000566536536 304166107 /nfs/dbraw/zinc/16/61/07/304166107.db2.gz KXRANJQWYXRNGO-UHFFFAOYSA-N 0 3 319.365 1.479 20 5 DDBDHN C[C@H](CCC[NH3+])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000336840755 249248028 /nfs/dbraw/zinc/24/80/28/249248028.db2.gz QPYNJWNARNPAMU-MRVPVSSYSA-N 0 3 321.786 1.654 20 5 DDBDHN Cc1nn(C)c(C(=O)N2CCCC[C@H]2CN(C)C)c1[N+](=O)[O-] ZINC000104413280 194006330 /nfs/dbraw/zinc/00/63/30/194006330.db2.gz CUWWAAHFMHYKMQ-NSHDSACASA-N 0 3 309.370 1.193 20 5 DDBDHN CCc1nn(C)c(N2C[C@H](SC)[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000340753732 251194581 /nfs/dbraw/zinc/19/45/81/251194581.db2.gz MNYDTHMSHUQLOI-QWRGUYRKSA-N 0 3 313.427 1.373 20 5 DDBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000341064909 251364901 /nfs/dbraw/zinc/36/49/01/251364901.db2.gz HKNBFJXEHZCWPL-TXEJJXNPSA-N 0 3 308.382 1.926 20 5 DDBDHN CCCN(CCN(C)C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352380252 285008931 /nfs/dbraw/zinc/00/89/31/285008931.db2.gz ZCNPVMDXSQENAH-UHFFFAOYSA-N 0 3 323.349 1.737 20 5 DDBDHN CO[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451539477 533413650 /nfs/dbraw/zinc/41/36/50/533413650.db2.gz FISFUGJRPFNBHY-XNRPHZJLSA-N 0 3 324.377 1.691 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000330918567 533604085 /nfs/dbraw/zinc/60/40/85/533604085.db2.gz XMDBFEPJPFLFJU-NEPJUHHUSA-N 0 3 307.350 1.573 20 5 DDBDHN COC(=O)NCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000496532088 307348472 /nfs/dbraw/zinc/34/84/72/307348472.db2.gz ZJAOVOWUMIOQSH-UFBFGSQYSA-N 0 3 314.269 1.431 20 5 DDBDHN COC(=O)COc1ccc(CNC2(CO)CCC2)cc1[N+](=O)[O-] ZINC000353736945 285899037 /nfs/dbraw/zinc/89/90/37/285899037.db2.gz KXHIFLBCVKDXQR-UHFFFAOYSA-N 0 3 324.333 1.151 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccncc2)CC1 ZINC000008097869 406777523 /nfs/dbraw/zinc/77/75/23/406777523.db2.gz HLAFCBWJAVOFEH-UHFFFAOYSA-N 0 3 312.329 1.952 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]([NH3+])C(C)C)cc1C ZINC000070447750 406817013 /nfs/dbraw/zinc/81/70/13/406817013.db2.gz PEZHANHFIOOUGF-NSHDSACASA-N 0 3 315.395 1.473 20 5 DDBDHN [NH3+]C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000089107838 407122725 /nfs/dbraw/zinc/12/27/25/407122725.db2.gz BARMNQQPICTCSS-QWRGUYRKSA-N 0 3 313.379 1.391 20 5 DDBDHN C[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000081573401 407077891 /nfs/dbraw/zinc/07/78/91/407077891.db2.gz GWEXASAPDQAIKV-RCBQFDQVSA-N 0 3 316.361 1.845 20 5 DDBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000052101699 407148129 /nfs/dbraw/zinc/14/81/29/407148129.db2.gz KIHBIMCPHWAUKI-ZFWWWQNUSA-N 0 3 310.350 1.445 20 5 DDBDHN CN(CCN1CCCC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000103117827 407331725 /nfs/dbraw/zinc/33/17/25/407331725.db2.gz QUHHOMFPLKPCIJ-UHFFFAOYSA-N 0 3 307.350 1.528 20 5 DDBDHN N[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1c1ccccc1 ZINC000261873423 407651654 /nfs/dbraw/zinc/65/16/54/407651654.db2.gz XQILTPWEASQEJQ-QWHCGFSZSA-N 0 3 300.318 1.490 20 5 DDBDHN C[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000171649831 407733819 /nfs/dbraw/zinc/73/38/19/407733819.db2.gz HCIAYNMIZCLYMU-LLVKDONJSA-N 0 3 306.366 1.877 20 5 DDBDHN CN(C)CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272370117 407888480 /nfs/dbraw/zinc/88/84/80/407888480.db2.gz UHBGYRKNGCZYTF-UHFFFAOYSA-N 0 3 317.292 1.830 20 5 DDBDHN COc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268242969 407965424 /nfs/dbraw/zinc/96/54/24/407965424.db2.gz VGABIQLVQBMZAW-GXFFZTMASA-N 0 3 319.361 1.816 20 5 DDBDHN COc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272544365 407976265 /nfs/dbraw/zinc/97/62/65/407976265.db2.gz CJDIWVPGXCXKDV-FZMZJTMJSA-N 0 3 319.361 1.770 20 5 DDBDHN COC[C@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000136636335 408116207 /nfs/dbraw/zinc/11/62/07/408116207.db2.gz ZDQKPOXMCPOTRL-GWCFXTLKSA-N 0 3 307.350 1.936 20 5 DDBDHN CN(CCOCC1CC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273322230 408152763 /nfs/dbraw/zinc/15/27/63/408152763.db2.gz KJFULLBUGGMGMC-CQSZACIVSA-N 0 3 324.377 1.693 20 5 DDBDHN CC(C)N(C)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000155619889 408187238 /nfs/dbraw/zinc/18/72/38/408187238.db2.gz PTIGPIYXZLPPAI-UHFFFAOYSA-N 0 3 315.395 1.354 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000175729227 408188654 /nfs/dbraw/zinc/18/86/54/408188654.db2.gz BYCCSKXKZZMPGR-DTWKUNHWSA-N 0 3 307.354 1.235 20 5 DDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN2CCC[C@H]2C1 ZINC000246383065 408237334 /nfs/dbraw/zinc/23/73/34/408237334.db2.gz OTVMHRMIFUDWKR-OLZOCXBDSA-N 0 3 318.377 1.702 20 5 DDBDHN Cc1c(NC(=O)CCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000122189025 408264705 /nfs/dbraw/zinc/26/47/05/408264705.db2.gz SQVINETZBSOECB-UHFFFAOYSA-N 0 3 306.366 1.479 20 5 DDBDHN CCO[C@H]1C[C@@H](O)C12CCN(CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000176261605 408327407 /nfs/dbraw/zinc/32/74/07/408327407.db2.gz WYFSTDWVBFYQJL-OLZOCXBDSA-N 0 3 324.381 1.043 20 5 DDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000176307172 408337547 /nfs/dbraw/zinc/33/75/47/408337547.db2.gz RLPIFOJGEXFGQH-OLZOCXBDSA-N 0 3 318.377 1.876 20 5 DDBDHN CN(C)[C@@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000263992822 408337569 /nfs/dbraw/zinc/33/75/69/408337569.db2.gz GYFOSBANXRDVSI-LLVKDONJSA-N 0 3 302.334 1.852 20 5 DDBDHN COCCN1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000269745457 408413854 /nfs/dbraw/zinc/41/38/54/408413854.db2.gz XREKLIDGSAFKDW-AWEZNQCLSA-N 0 3 321.377 1.283 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CN(C2CC2)CCO1 ZINC000183463286 408419054 /nfs/dbraw/zinc/41/90/54/408419054.db2.gz NDBDURPREKAWMZ-INIZCTEOSA-N 0 3 305.378 1.856 20 5 DDBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000270518189 408560227 /nfs/dbraw/zinc/56/02/27/408560227.db2.gz SHGLMNZYYQTNOH-OLZOCXBDSA-N 0 3 309.391 1.712 20 5 DDBDHN CC1(C)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000275544140 408596164 /nfs/dbraw/zinc/59/61/64/408596164.db2.gz ZLRIYRBXYMLJQS-HIFRSBDPSA-N 0 3 324.377 1.427 20 5 DDBDHN CN(C)C1CN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000270707497 408646721 /nfs/dbraw/zinc/64/67/21/408646721.db2.gz CFUJOKDXRJYSAS-UHFFFAOYSA-N 0 3 301.144 1.503 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000250817943 408779717 /nfs/dbraw/zinc/77/97/17/408779717.db2.gz WIODLFDGQKXGAM-QWRGUYRKSA-N 0 3 312.757 1.918 20 5 DDBDHN CC(=O)c1ccc(OC[C@@H](O)CN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000290797768 408834465 /nfs/dbraw/zinc/83/44/65/408834465.db2.gz PDQXNBHHDRBPMK-ZDUSSCGKSA-N 0 3 308.334 1.631 20 5 DDBDHN C[C@]1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCCCN1 ZINC000237757949 163388280 /nfs/dbraw/zinc/38/82/80/163388280.db2.gz MHGMIMYXKRTCIJ-OAHLLOKOSA-N 0 3 306.366 1.655 20 5 DDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000277508386 408954566 /nfs/dbraw/zinc/95/45/66/408954566.db2.gz KRUFBJJJAMRANU-GFCCVEGCSA-N 0 3 318.377 1.924 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000292151111 408991286 /nfs/dbraw/zinc/99/12/86/408991286.db2.gz ILODXHJZCBBUQR-MRXNPFEDSA-N 0 3 319.361 1.771 20 5 DDBDHN CN1CCC[C@]2(CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000294128154 409245776 /nfs/dbraw/zinc/24/57/76/409245776.db2.gz MECLBPKDIMLTRX-HNNXBMFYSA-N 0 3 321.381 1.126 20 5 DDBDHN CN1CCC[C@]2(CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)C1 ZINC000294313458 409277437 /nfs/dbraw/zinc/27/74/37/409277437.db2.gz WMVLZHSAUVWTJY-INIZCTEOSA-N 0 3 318.377 1.735 20 5 DDBDHN COc1cc(C(=O)NCCN(C)C2CC2)c([N+](=O)[O-])cc1F ZINC000294570842 409294626 /nfs/dbraw/zinc/29/46/26/409294626.db2.gz PCXDYJHIPVCKLQ-UHFFFAOYSA-N 0 3 311.313 1.567 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN(C[C@H](C)O)C[C@@H]1C ZINC000284269179 409308376 /nfs/dbraw/zinc/30/83/76/409308376.db2.gz GUUBLVWFPPMXQL-KBPBESRZSA-N 0 3 307.394 1.790 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCO[C@H]2CCN(C)C[C@@H]21 ZINC000284923289 409371275 /nfs/dbraw/zinc/37/12/75/409371275.db2.gz UDBBXQCDVTWMIZ-HOCLYGCPSA-N 0 3 321.377 1.508 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000331533979 409612051 /nfs/dbraw/zinc/61/20/51/409612051.db2.gz POWVGFFLXBATOO-TVQRCGJNSA-N 0 3 307.325 1.946 20 5 DDBDHN CCN1C[C@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000346185036 409851158 /nfs/dbraw/zinc/85/11/58/409851158.db2.gz GNBHNVMYNZQDTE-OLZOCXBDSA-N 0 3 308.382 1.171 20 5 DDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000346123377 409799902 /nfs/dbraw/zinc/79/99/02/409799902.db2.gz AULNMSJGZPKEHD-GHMZBOCLSA-N 0 3 307.354 1.027 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000346130234 409805578 /nfs/dbraw/zinc/80/55/78/409805578.db2.gz GSSKCNDXVOTHSU-NSHDSACASA-N 0 3 317.349 1.460 20 5 DDBDHN COc1cccc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000346325888 409917887 /nfs/dbraw/zinc/91/78/87/409917887.db2.gz RRRDAOYGYDFOES-MRXNPFEDSA-N 0 3 319.361 1.771 20 5 DDBDHN CN1CC[C@@]2(CCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)C1 ZINC000297855314 410025959 /nfs/dbraw/zinc/02/59/59/410025959.db2.gz TXIKWKJAJGQPOZ-CQSZACIVSA-N 0 3 305.338 1.549 20 5 DDBDHN C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)N1CCCC[C@H]1C ZINC000351700901 410160483 /nfs/dbraw/zinc/16/04/83/410160483.db2.gz TUWAYWZQIUKYRJ-OLZOCXBDSA-N 0 3 323.397 1.561 20 5 DDBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)N1CCC[C@H](C)C1 ZINC000298755316 410382814 /nfs/dbraw/zinc/38/28/14/410382814.db2.gz YACISCNPJBTAGD-QWRGUYRKSA-N 0 3 321.381 1.621 20 5 DDBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000352185434 410530576 /nfs/dbraw/zinc/53/05/76/410530576.db2.gz CJMXVBAGUNIJFI-CHWSQXEVSA-N 0 3 310.350 1.445 20 5 DDBDHN COC1CC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000347472255 410569073 /nfs/dbraw/zinc/56/90/73/410569073.db2.gz SCOKKERVUUFVLT-UHFFFAOYSA-N 0 3 314.363 1.136 20 5 DDBDHN CN1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)C1 ZINC000301304084 410697321 /nfs/dbraw/zinc/69/73/21/410697321.db2.gz SVEFHFGTTUBOCR-CQSZACIVSA-N 0 3 322.384 1.950 20 5 DDBDHN C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)N1CCCC[C@@H]1C ZINC000340267394 410808805 /nfs/dbraw/zinc/80/88/05/410808805.db2.gz HYFYOIFIFATVMS-NWDGAFQWSA-N 0 3 309.370 1.170 20 5 DDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H]1CO ZINC000343919956 410811346 /nfs/dbraw/zinc/81/13/46/410811346.db2.gz INAKFEYRYIZXMR-LBPRGKRZSA-N 0 3 321.333 1.350 20 5 DDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)N1CCCC[C@@H]1C ZINC000356149521 410863033 /nfs/dbraw/zinc/86/30/33/410863033.db2.gz HCCQAEIFKJKYQX-WDEREUQCSA-N 0 3 309.370 1.321 20 5 DDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(C2CC2)C1 ZINC000341172770 410914068 /nfs/dbraw/zinc/91/40/68/410914068.db2.gz CKOAHZRXMCVRHE-CYBMUJFWSA-N 0 3 318.377 1.673 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2CCN(C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000348517815 410995401 /nfs/dbraw/zinc/99/54/01/410995401.db2.gz YCAPDEDQGWVHGM-SNVBAGLBSA-N 0 3 309.370 1.437 20 5 DDBDHN CN1CCC[C@@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)C1 ZINC000356289275 410946640 /nfs/dbraw/zinc/94/66/40/410946640.db2.gz VWOBSARGDXSIHQ-MRXNPFEDSA-N 0 3 318.377 1.735 20 5 DDBDHN CC1(C)[C@H](O)C[C@@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000579975483 422870147 /nfs/dbraw/zinc/87/01/47/422870147.db2.gz UIMBLYCKSOVTDS-MELADBBJSA-N 0 3 319.361 1.449 20 5 DDBDHN CCN1CCC(N(C)C(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000580447818 422934344 /nfs/dbraw/zinc/93/43/44/422934344.db2.gz SJNKDFUEJPGZDO-UHFFFAOYSA-N 0 3 321.381 1.588 20 5 DDBDHN C[C@@H]1[NH2+]CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000193451653 222155150 /nfs/dbraw/zinc/15/51/50/222155150.db2.gz DQWSKYONVCYBDG-YUMQZZPRSA-N 0 3 305.381 1.075 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](N3CCCCC3)C2)n1 ZINC000367396612 418597119 /nfs/dbraw/zinc/59/71/19/418597119.db2.gz LUZUTSBSCUFTKL-LBPRGKRZSA-N 0 3 321.381 1.419 20 5 DDBDHN CCN(C[C@@H](C)OC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000291312700 222305860 /nfs/dbraw/zinc/30/58/60/222305860.db2.gz TWUHCQHEWCQJPF-CHWSQXEVSA-N 0 3 312.366 1.691 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000367463113 418600898 /nfs/dbraw/zinc/60/08/98/418600898.db2.gz FOXNIVWTPCNBBW-RISCZKNCSA-N 0 3 318.377 1.997 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367839100 418644452 /nfs/dbraw/zinc/64/44/52/418644452.db2.gz KAYRMTWQFWPQFH-WDNDVIMCSA-N 0 3 319.361 1.402 20 5 DDBDHN C[C@@H](CO)N1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000375513093 418652454 /nfs/dbraw/zinc/65/24/54/418652454.db2.gz UGHVPMAEECOWKG-LBPRGKRZSA-N 0 3 322.365 1.515 20 5 DDBDHN C[C@@H]1OCC[C@H]1N(CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000361587116 418687340 /nfs/dbraw/zinc/68/73/40/418687340.db2.gz UWNFTDBMEYHTSN-SWLSCSKDSA-N 0 3 310.350 1.445 20 5 DDBDHN CN1CC[C@@H](CNc2ncc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 ZINC000376740652 418701134 /nfs/dbraw/zinc/70/11/34/418701134.db2.gz XLQFSGADTRGKRL-JSGCOSHPSA-N 0 3 314.349 1.885 20 5 DDBDHN C[C@@H](CO)N1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372721320 418894995 /nfs/dbraw/zinc/89/49/95/418894995.db2.gz CVHRRJULWGBCJU-ZDUSSCGKSA-N 0 3 321.377 1.052 20 5 DDBDHN COc1ccc(OCCN2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000426265343 419428385 /nfs/dbraw/zinc/42/83/85/419428385.db2.gz UMAHFLHOLTWGIN-GFCCVEGCSA-N 0 3 310.350 1.829 20 5 DDBDHN O=C(CCN1CC[C@]12CCOC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000421016430 419451073 /nfs/dbraw/zinc/45/10/73/419451073.db2.gz JDSXRFSFFZGQGX-OAHLLOKOSA-N 0 3 305.334 1.788 20 5 DDBDHN COCCN(C)CCCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421741289 419707814 /nfs/dbraw/zinc/70/78/14/419707814.db2.gz BNMWGTVNSROOMC-UHFFFAOYSA-N 0 3 323.393 1.910 20 5 DDBDHN CCc1ccccc1[C@H](N)CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000423981632 420289496 /nfs/dbraw/zinc/28/94/96/420289496.db2.gz QWMMMKOIUWPNQG-CYBMUJFWSA-N 0 3 316.361 1.926 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCNC[C@@H]2c2ccccc2)n1 ZINC000420397967 420260934 /nfs/dbraw/zinc/26/09/34/420260934.db2.gz GQPGEORWAJSNCO-CQSZACIVSA-N 0 3 301.350 1.438 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCNC[C@@H]1c1ccccc1 ZINC000420401762 420263668 /nfs/dbraw/zinc/26/36/68/420263668.db2.gz JJRJORZEMBSVHZ-CYBMUJFWSA-N 0 3 301.350 1.475 20 5 DDBDHN C[C@@H]1C[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CN1C1CC1 ZINC000420600820 420327718 /nfs/dbraw/zinc/32/77/18/420327718.db2.gz MTBCDJAUEDAGPE-NXEZZACHSA-N 0 3 304.350 1.731 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420454701 420298844 /nfs/dbraw/zinc/29/88/44/420298844.db2.gz WOLPCOCQUGDIJG-QWRGUYRKSA-N 0 3 313.379 1.309 20 5 DDBDHN C[C@H](C[NH3+])C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000447250409 230349991 /nfs/dbraw/zinc/34/99/91/230349991.db2.gz ZSOKKINDUYDZCX-SSDOTTSWSA-N 0 3 307.759 1.121 20 5 DDBDHN CN(C)CCOCCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492344007 420530970 /nfs/dbraw/zinc/53/09/70/420530970.db2.gz AUJNAMJVFWQJCQ-FPLPWBNLSA-N 0 3 307.350 1.302 20 5 DDBDHN CC[C@@H](C)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000450863828 420548164 /nfs/dbraw/zinc/54/81/64/420548164.db2.gz UJCZCUOEESVMTA-LLVKDONJSA-N 0 3 304.354 1.558 20 5 DDBDHN CN(CC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000452976241 420693845 /nfs/dbraw/zinc/69/38/45/420693845.db2.gz OGWSLEFLCPMGJH-SWLSCSKDSA-N 0 3 318.377 1.194 20 5 DDBDHN CN(C)C/C=C/C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000493040481 420741801 /nfs/dbraw/zinc/74/18/01/420741801.db2.gz RWXDMJLDIXKVTP-ONEGZZNKSA-N 0 3 316.361 1.853 20 5 DDBDHN CC[C@H](N[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(=O)NC ZINC000453408658 420724902 /nfs/dbraw/zinc/72/49/02/420724902.db2.gz QQJWYKVQPJGTJV-QJPTWQEYSA-N 0 3 309.370 1.389 20 5 DDBDHN CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447519669 420777943 /nfs/dbraw/zinc/77/79/43/420777943.db2.gz QYLUHBNOXHJWND-VXGBXAGGSA-N 0 3 309.370 1.389 20 5 DDBDHN CC(COC(=O)CC1(CNC(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000496252738 421163823 /nfs/dbraw/zinc/16/38/23/421163823.db2.gz HNFSJEWQWGFCBW-SNVBAGLBSA-N 0 3 316.354 1.890 20 5 DDBDHN CC[C@H]1CN(C)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514649900 421442827 /nfs/dbraw/zinc/44/28/27/421442827.db2.gz OCLZXUWIPLSZRH-KBPBESRZSA-N 0 3 323.393 1.361 20 5 DDBDHN CN(C)[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000518772702 421667005 /nfs/dbraw/zinc/66/70/05/421667005.db2.gz WORQXXZFFRFEKB-JTQLQIEISA-N 0 3 321.333 1.490 20 5 DDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)N1CCCC[C@@H]1C ZINC000518219673 421646052 /nfs/dbraw/zinc/64/60/52/421646052.db2.gz KWOKYFZKZOMHLP-NWDGAFQWSA-N 0 3 308.382 1.926 20 5 DDBDHN COc1cc(C)cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000571551600 421725762 /nfs/dbraw/zinc/72/57/62/421725762.db2.gz FTIJSZDNJZUIQL-CQSZACIVSA-N 0 3 320.349 1.259 20 5 DDBDHN CNc1nccc(C(=O)NC[C@@H](CC(C)C)N(C)C)c1[N+](=O)[O-] ZINC000572176849 421767302 /nfs/dbraw/zinc/76/73/02/421767302.db2.gz KQDUYFQZROMCSX-LLVKDONJSA-N 0 3 323.397 1.738 20 5 DDBDHN O=C1CCCN1CCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000575810587 422332077 /nfs/dbraw/zinc/33/20/77/422332077.db2.gz QQGWVHGOOJRJHI-UHFFFAOYSA-N 0 3 321.381 1.441 20 5 DDBDHN CCN(CCO)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000183990957 263384016 /nfs/dbraw/zinc/38/40/16/263384016.db2.gz DSQJEIAZKIRRDH-UHFFFAOYSA-N 0 3 320.349 1.120 20 5 DDBDHN CCN1CCN(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344442510 272028507 /nfs/dbraw/zinc/02/85/07/272028507.db2.gz QYEOZISRSRTFOH-UHFFFAOYSA-N 0 3 324.356 1.101 20 5 DDBDHN CCN1CCC[C@@H]1CN(C)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269468880 276370645 /nfs/dbraw/zinc/37/06/45/276370645.db2.gz ILVNMBIWUOUDBK-LLVKDONJSA-N 0 3 323.397 1.998 20 5 DDBDHN C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)CN1 ZINC000420244618 279887217 /nfs/dbraw/zinc/88/72/17/279887217.db2.gz YTGBFJXMMUZKLR-UWVGGRQHSA-N 0 3 303.322 1.831 20 5 DDBDHN Cn1c(C(=O)N2C[C@H](N)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000262025387 294150517 /nfs/dbraw/zinc/15/05/17/294150517.db2.gz YDORJSGRIUIVRU-LLVKDONJSA-N 0 3 300.318 1.464 20 5 DDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)Nc1cccc([N+](=O)[O-])c1 ZINC000363094694 300209728 /nfs/dbraw/zinc/20/97/28/300209728.db2.gz HJUNASPVYGGADS-KGLIPLIRSA-N 0 3 320.349 1.580 20 5 DDBDHN CN1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000363220106 300234117 /nfs/dbraw/zinc/23/41/17/300234117.db2.gz BTFLMVIIVYMCHZ-MRXNPFEDSA-N 0 3 304.394 1.811 20 5 DDBDHN CN1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000363220105 300234284 /nfs/dbraw/zinc/23/42/84/300234284.db2.gz BTFLMVIIVYMCHZ-INIZCTEOSA-N 0 3 304.394 1.811 20 5 DDBDHN CCN(CC)CC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368412621 301022183 /nfs/dbraw/zinc/02/21/83/301022183.db2.gz MWNZWMOYBQSUSZ-LBPRGKRZSA-N 0 3 309.370 1.297 20 5 DDBDHN O=C1CCCN1CC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000377962980 302257963 /nfs/dbraw/zinc/25/79/63/302257963.db2.gz MWVLNWYGIBQZPX-UHFFFAOYSA-N 0 3 321.381 1.126 20 5 DDBDHN COc1cc(C(=O)NC[C@H](C)N2CCCC2)ccc1[N+](=O)[O-] ZINC000522316567 302889573 /nfs/dbraw/zinc/88/95/73/302889573.db2.gz QNYWXWSGDWRBRC-NSHDSACASA-N 0 3 307.350 1.818 20 5 DDBDHN COC(=O)C[C@@]1(NCCc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000362260568 307015864 /nfs/dbraw/zinc/01/58/64/307015864.db2.gz ADEHAGILIGGLGR-HNNXBMFYSA-N 0 3 308.334 1.449 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN[C@H]2c3ccccc3CC[C@@H]2CO)c1 ZINC000364584066 307048567 /nfs/dbraw/zinc/04/85/67/307048567.db2.gz PDMIDWNIPQNKLQ-CZUORRHYSA-N 0 3 316.361 1.677 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H](c3nnc[nH]3)C2)c1 ZINC000366652338 307078794 /nfs/dbraw/zinc/07/87/94/307078794.db2.gz KMPDFEYWEMVKTL-JSGCOSHPSA-N 0 3 317.349 1.626 20 5 DDBDHN COC(=O)N1CC(N[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000496075711 307325239 /nfs/dbraw/zinc/32/52/39/307325239.db2.gz HWBHWEQLOOFITM-VXGBXAGGSA-N 0 3 323.353 1.315 20 5 DDBDHN CC1(C)SC[C@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566129666 308045467 /nfs/dbraw/zinc/04/54/67/308045467.db2.gz HEYVOHIOTPECFN-GXFFZTMASA-N 0 3 312.391 1.818 20 5 DDBDHN Cc1ccc(CNCCN2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000451219633 534058044 /nfs/dbraw/zinc/05/80/44/534058044.db2.gz DPWHTRCLEXKFOT-GASCZTMLSA-N 0 3 305.378 1.856 20 5 DDBDHN C[C@@H]1OCC[C@]1(C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000494281624 534205666 /nfs/dbraw/zinc/20/56/66/534205666.db2.gz GMFVBMFRWSYBIV-ZBEGNZNMSA-N 0 3 319.361 1.641 20 5 DDBDHN COc1cc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000334041730 536521913 /nfs/dbraw/zinc/52/19/13/536521913.db2.gz AGAMPOAMTMBBCM-PWSUYJOCSA-N 0 3 307.350 1.816 20 5 DDBDHN CC(C)c1ccc([C@H](N)CNC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000422797484 528145238 /nfs/dbraw/zinc/14/52/38/528145238.db2.gz MVSSYNDIUSVOJJ-GFCCVEGCSA-N 0 3 317.349 1.871 20 5 DDBDHN C[NH+](C)C1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000821583539 606644818 /nfs/dbraw/zinc/64/48/18/606644818.db2.gz ZDCQJSGVBSIGKS-UHFFFAOYSA-N 0 3 317.353 1.305 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000078231716 696448594 /nfs/dbraw/zinc/44/85/94/696448594.db2.gz OTXCSKKCCUKYJX-NSHDSACASA-N 0 3 322.321 1.717 20 5 DDBDHN CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1CCN(C2CC2)C1 ZINC000801891055 700351135 /nfs/dbraw/zinc/35/11/35/700351135.db2.gz GNAYFLQWFZVQBI-SNVBAGLBSA-N 0 3 322.340 1.625 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](C(F)(F)F)C2)c1 ZINC000761056546 700837161 /nfs/dbraw/zinc/83/71/61/700837161.db2.gz YADKAXYKHMQBIA-SCZZXKLOSA-N 0 3 308.260 1.036 20 5 DDBDHN CO[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@](C)(CO)C1 ZINC000879261385 706633282 /nfs/dbraw/zinc/63/32/82/706633282.db2.gz JMGVNWZFIXPNRL-KKUMJFAQSA-N 0 3 310.350 1.100 20 5 DDBDHN CC(COC(=O)CCCn1c(=O)oc2ccccc21)[N+](=O)[O-] ZINC000813101909 702291027 /nfs/dbraw/zinc/29/10/27/702291027.db2.gz LGFXRFGNQQKFLG-JTQLQIEISA-N 0 3 308.290 1.583 20 5 DDBDHN CC(COC(=O)c1cc(Cl)c2c(c1)OCCO2)[N+](=O)[O-] ZINC000813105254 702293035 /nfs/dbraw/zinc/29/30/35/702293035.db2.gz XCKBKQNMSSMBEN-SSDOTTSWSA-N 0 3 301.682 1.933 20 5 DDBDHN Cc1cccc2c1ncn(CCC(=O)OCC(C)[N+](=O)[O-])c2=O ZINC000813107499 702294247 /nfs/dbraw/zinc/29/42/47/702294247.db2.gz RCIHTXMFAGWERG-LLVKDONJSA-N 0 3 319.317 1.303 20 5 DDBDHN CC(C)S(=O)(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813108552 702294837 /nfs/dbraw/zinc/29/48/37/702294837.db2.gz ZNXNNKJNNUHRMJ-SNVBAGLBSA-N 0 3 315.347 1.691 20 5 DDBDHN CCc1ccc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813108475 702295551 /nfs/dbraw/zinc/29/55/51/702295551.db2.gz YWCSLFFBBPGLPF-AAEUAGOBSA-N 0 3 320.345 1.810 20 5 DDBDHN Cc1nc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1ccc(F)cc1 ZINC000813110053 702295881 /nfs/dbraw/zinc/29/58/81/702295881.db2.gz ZBWBAFXKVJGWMY-QMMMGPOBSA-N 0 3 308.269 1.537 20 5 DDBDHN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813110383 702296269 /nfs/dbraw/zinc/29/62/69/702296269.db2.gz ZHNARCPKWDFHDX-SDDRHHMPSA-N 0 3 300.355 1.480 20 5 DDBDHN CCCc1c(C(=O)OCC(C)[N+](=O)[O-])[nH]c(C)c1C(=O)OC ZINC000813115397 702299403 /nfs/dbraw/zinc/29/94/03/702299403.db2.gz QWGQRVMPSLNQKW-MRVPVSSYSA-N 0 3 312.322 1.884 20 5 DDBDHN CN(C[C@@H]1CCCN1C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000817679645 702448979 /nfs/dbraw/zinc/44/89/79/702448979.db2.gz VENUOKWZJGOQBL-KBPBESRZSA-N 0 3 307.350 1.181 20 5 DDBDHN CC(C)[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CCN1 ZINC000869330850 702571021 /nfs/dbraw/zinc/57/10/21/702571021.db2.gz RLSRTXFVJXRMIK-ZDUSSCGKSA-N 0 3 309.341 1.733 20 5 DDBDHN CON(C)C(=O)[C@@H](C)N[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866400231 706689680 /nfs/dbraw/zinc/68/96/80/706689680.db2.gz ZSQVIDKZGWIFJR-VHSXEESVSA-N 0 3 313.329 1.663 20 5 DDBDHN CC(COC(=O)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000845576528 703177232 /nfs/dbraw/zinc/17/72/32/703177232.db2.gz LZWXIQGHRQHSOM-AXFHLTTASA-N 0 3 301.339 1.953 20 5 DDBDHN CN(C)CCN(C)C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848586871 703566081 /nfs/dbraw/zinc/56/60/81/703566081.db2.gz DLQWDBSMFTVVCH-UHFFFAOYSA-N 0 3 317.292 1.586 20 5 DDBDHN CC([C@H](OC(=O)[C@H]1[C@@H]2COC[C@@H]21)c1ccccc1F)[N+](=O)[O-] ZINC000851108336 703781002 /nfs/dbraw/zinc/78/10/02/703781002.db2.gz MFZNZVWLFHEMKY-CQICAZFISA-N 0 3 309.293 1.968 20 5 DDBDHN N[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[C@H]1F ZINC000851648863 703822611 /nfs/dbraw/zinc/82/26/11/703822611.db2.gz QJJKSWPNQWZDJC-NXEZZACHSA-N 0 3 301.705 1.760 20 5 DDBDHN COC1(C(=N)NOCc2onc(C)c2[N+](=O)[O-])CCOCC1 ZINC000853743247 704309130 /nfs/dbraw/zinc/30/91/30/704309130.db2.gz LWLRRXDZYVFDBI-UHFFFAOYSA-N 0 3 314.298 1.085 20 5 DDBDHN [NH3+][C@@H](C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000857763263 704621768 /nfs/dbraw/zinc/62/17/68/704621768.db2.gz SEXWKFKQGDRUAI-NSHDSACASA-N 0 3 315.276 1.420 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874845029 705199664 /nfs/dbraw/zinc/19/96/64/705199664.db2.gz FFHMFTMKXKPHGU-UONOGXRCSA-N 0 3 319.361 1.912 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874848147 705201260 /nfs/dbraw/zinc/20/12/60/705201260.db2.gz RUWYMZWEGNRLQP-KBPBESRZSA-N 0 3 304.350 1.607 20 5 DDBDHN CN(C)c1cccc(CNC2CC(n3cc([N+](=O)[O-])cn3)C2)n1 ZINC000877117767 705989306 /nfs/dbraw/zinc/98/93/06/705989306.db2.gz UTXQYSQIPZTRCZ-UHFFFAOYSA-N 0 3 316.365 1.746 20 5 DDBDHN CNC(=O)c1ccc(N2CC[C@H]3[C@H]2CCCN3C)c([N+](=O)[O-])c1 ZINC000872781606 707597966 /nfs/dbraw/zinc/59/79/66/707597966.db2.gz VZKYNHHMICEPEL-QWHCGFSZSA-N 0 3 318.377 1.627 20 5 DDBDHN CN(CCO)CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000884823707 708387544 /nfs/dbraw/zinc/38/75/44/708387544.db2.gz ALWIHKMNHGYNIE-UHFFFAOYSA-N 0 3 318.171 1.693 20 5 DDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCN(C)CCO ZINC000912605532 713045406 /nfs/dbraw/zinc/04/54/06/713045406.db2.gz YTUDVBNAGZEWGA-OUKQBFOZSA-N 0 3 321.377 1.381 20 5 DDBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H](C)C1 ZINC000910280394 709862700 /nfs/dbraw/zinc/86/27/00/709862700.db2.gz QYAJVGDLARNIFZ-JTQLQIEISA-N 0 3 324.356 1.872 20 5 DDBDHN CCN1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000910285165 709866098 /nfs/dbraw/zinc/86/60/98/709866098.db2.gz RAXXGUCSOSSIEO-GFCCVEGCSA-N 0 3 323.397 1.469 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCN1C ZINC000928450127 713202075 /nfs/dbraw/zinc/20/20/75/713202075.db2.gz SHNDEZSYVZZIEP-SKDRFNHKSA-N 0 3 321.333 1.188 20 5 DDBDHN CNC(=O)c1ccc(N2CC[C@@H]3CN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000893941488 710893785 /nfs/dbraw/zinc/89/37/85/710893785.db2.gz SDWBHYGDQJPRLP-BXUZGUMPSA-N 0 3 304.350 1.095 20 5 DDBDHN Nc1c(F)c(NC[C@H]2CCN2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000896521168 711737507 /nfs/dbraw/zinc/73/75/07/711737507.db2.gz HKUQGGUCPYRLGD-LLVKDONJSA-N 0 3 324.356 1.981 20 5 DDBDHN CC[C@@H](CO)NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000916570526 713458356 /nfs/dbraw/zinc/45/83/56/713458356.db2.gz IKRUVSCMDMBRLH-VIFPVBQESA-N 0 3 301.730 1.547 20 5 DDBDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NCC[N+](=O)[O-] ZINC000930477341 713844362 /nfs/dbraw/zinc/84/43/62/713844362.db2.gz PGVIPXRROCIAPY-IJLUTSLNSA-N 0 3 301.387 1.887 20 5 DDBDHN COC1(OC)CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000931641300 714147424 /nfs/dbraw/zinc/14/74/24/714147424.db2.gz XQAVKUUQJPCFJT-AWEZNQCLSA-N 0 3 310.350 1.193 20 5 DDBDHN COc1cccc(N2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169039539 762193727 /nfs/dbraw/zinc/19/37/27/762193727.db2.gz QXUVXHPGIQXBHM-KBPBESRZSA-N 0 3 320.393 1.658 20 5 DDBDHN Cc1c(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)ccn1C ZINC001133491797 769894310 /nfs/dbraw/zinc/89/43/10/769894310.db2.gz IBYVPZGEABFCSH-UHFFFAOYSA-N 0 3 316.361 1.761 20 5 DDBDHN Nc1c(Cl)cc(C(=O)N[C@@]23CCN(C2)CCC3)cc1[N+](=O)[O-] ZINC001175053148 777676117 /nfs/dbraw/zinc/67/61/17/777676117.db2.gz CRRIIFPEFPCYQF-AWEZNQCLSA-N 0 3 324.768 1.799 20 5 DDBDHN O=C(NC/C=C\CNCc1ccncc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC001268540554 840417936 /nfs/dbraw/zinc/41/79/36/840417936.db2.gz DRJMVBTUZBBRAL-IWRMCDHXSA-N 0 3 324.768 1.162 20 5 DDBDHN COC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001326697748 861552059 /nfs/dbraw/zinc/55/20/59/861552059.db2.gz GHZRIBHBYVKNHD-GHMZBOCLSA-N 0 3 321.333 1.465 20 5 DDBDHN COc1cc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)c([N+](=O)[O-])cc1F ZINC001273359786 849665779 /nfs/dbraw/zinc/66/57/79/849665779.db2.gz UOHBEDOTMTXWME-RNCFNFMXSA-N 0 3 323.324 1.519 20 5 DDBDHN CN1CCCC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001121918264 858632911 /nfs/dbraw/zinc/63/29/11/858632911.db2.gz DEHUSFDCVPKUFH-AWEZNQCLSA-N 0 3 306.366 1.878 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001122579317 858896250 /nfs/dbraw/zinc/89/62/50/858896250.db2.gz MCEJSWHWJIIVFR-UHFFFAOYSA-N 0 3 300.318 1.509 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)OC[C@H]1CCN1C1CCOCC1 ZINC001123344659 859186043 /nfs/dbraw/zinc/18/60/43/859186043.db2.gz BXHNBHYSCMIUTG-GFCCVEGCSA-N 0 3 323.349 1.343 20 5 DDBDHN Nc1c(Cl)cc(C(=O)NCCN2CCCC2)cc1[N+](=O)[O-] ZINC000054132781 864776271 /nfs/dbraw/zinc/77/62/71/864776271.db2.gz AHOIHNHCHIIHHF-UHFFFAOYSA-N 0 3 312.757 1.656 20 5 DDBDHN Cc1c(CC[NH3+])c(=O)[n-]n1-c1nc2ccccc2cc1[N+](=O)[O-] ZINC001159300216 865209002 /nfs/dbraw/zinc/20/90/02/865209002.db2.gz WFOKEPUZVFNJTB-UHFFFAOYSA-N 0 3 313.317 1.844 20 5 DDBDHN CC(C)Oc1nc(N[C@H](C)[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001159503184 865363539 /nfs/dbraw/zinc/36/35/39/865363539.db2.gz UOATVXOTJJDRHW-ZYHUDNBSSA-N 0 3 310.354 1.566 20 5 DDBDHN CCN(CCNCc1ccccc1[N+](=O)[O-])C(=O)c1ccn[nH]1 ZINC001320682646 866939887 /nfs/dbraw/zinc/93/98/87/866939887.db2.gz JTVJFLFUBSCOMT-UHFFFAOYSA-N 0 3 317.349 1.570 20 5 DDBDHN Cn1cncc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001161913034 867093162 /nfs/dbraw/zinc/09/31/62/867093162.db2.gz ALORSGSDUQMCTM-UHFFFAOYSA-N 0 3 317.349 1.238 20 5 DDBDHN CN(CC(=O)N[C@H]1CN2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC001336082833 868720929 /nfs/dbraw/zinc/72/09/29/868720929.db2.gz WMJGQGIXACEEFN-ZDUSSCGKSA-N 0 3 318.377 1.241 20 5 DDBDHN O=[N+]([O-])c1cccc2ccc(N3CC[C@@H]4NCCO[C@H]4C3)nc21 ZINC001165271542 869484633 /nfs/dbraw/zinc/48/46/33/869484633.db2.gz ZWRVSSUAJMCHQS-JSGCOSHPSA-N 0 3 314.345 1.710 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1n[nH]cc1F ZINC001166120999 869845279 /nfs/dbraw/zinc/84/52/79/869845279.db2.gz NBILQIXRKYXBNE-UHFFFAOYSA-N 0 3 321.312 1.367 20 5 DDBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CCNC[C@H]2F)n1 ZINC001205219625 871435696 /nfs/dbraw/zinc/43/56/96/871435696.db2.gz SKJUGTHOYRSUQN-HTQZYQBOSA-N 0 3 311.248 1.594 20 5 DDBDHN C[C@]1(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CN2CCC1CC2 ZINC001300609678 877975566 /nfs/dbraw/zinc/97/55/66/877975566.db2.gz HINWZPUMAWVYJB-HNNXBMFYSA-N 0 3 304.350 1.391 20 5 DDBDHN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC2(CC1)CNCCO2 ZINC001358307777 880396933 /nfs/dbraw/zinc/39/69/33/880396933.db2.gz VKMUFJVIYLSRBF-UHFFFAOYSA-N 0 3 319.361 1.118 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCC(N3CC[C@@](F)(CO)C3)CC2)cc1 ZINC001254476366 896455563 /nfs/dbraw/zinc/45/55/63/896455563.db2.gz ONZYRJKUTMTQTC-INIZCTEOSA-N 0 3 323.368 1.970 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC3(CCC(O)CC3)CC2)n1 ZINC000451144186 231018961 /nfs/dbraw/zinc/01/89/61/231018961.db2.gz HHNSITQCMUKLBI-UHFFFAOYSA-N 0 3 308.382 1.808 20 5 DDBDHN [NH3+]C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000087384143 185223428 /nfs/dbraw/zinc/22/34/28/185223428.db2.gz XRZDRJHRVIDZDN-SNVBAGLBSA-N 0 3 319.770 1.264 20 5 DDBDHN CC[C@@]1(O)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000495209183 529574626 /nfs/dbraw/zinc/57/46/26/529574626.db2.gz APFPIHFKAFOCKW-IUODEOHRSA-N 0 3 310.350 1.181 20 5 DDBDHN CC1(C)CN(CCOc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000614920062 362077064 /nfs/dbraw/zinc/07/70/64/362077064.db2.gz CNCQGZJHTRIZGD-UHFFFAOYSA-N 0 3 323.393 1.362 20 5 DDBDHN CC1(C)CN(CCOc2ccccc2[N+](=O)[O-])CCN1CCO ZINC000614923393 362079816 /nfs/dbraw/zinc/07/98/16/362079816.db2.gz JGQZUPRZGDTLLZ-UHFFFAOYSA-N 0 3 323.393 1.362 20 5 DDBDHN Cc1nn(C)c(C(=O)N(C)C(C)(C)CN2CCCC2)c1[N+](=O)[O-] ZINC000416111555 282254241 /nfs/dbraw/zinc/25/42/41/282254241.db2.gz VWAGDCHWYUMRKR-UHFFFAOYSA-N 0 3 323.397 1.583 20 5 DDBDHN Cc1c(CNC(=O)N[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000616200569 362584051 /nfs/dbraw/zinc/58/40/51/362584051.db2.gz JANWMVWOLJUKHG-CYBMUJFWSA-N 0 3 306.366 1.797 20 5 DDBDHN C[C@H](CN1CCOCC1)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000279703198 215074513 /nfs/dbraw/zinc/07/45/13/215074513.db2.gz JHOHREBVFUXREU-CQSZACIVSA-N 0 3 323.393 1.626 20 5 DDBDHN Cc1ccc(NC(=O)NC[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358453093 299157053 /nfs/dbraw/zinc/15/70/53/299157053.db2.gz IDXRTJAKTNIADS-CQSZACIVSA-N 0 3 308.338 1.091 20 5 DDBDHN C[C@H]1NCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000262885722 186319190 /nfs/dbraw/zinc/31/91/90/186319190.db2.gz WLDMWPAYTZXIRS-NEPJUHHUSA-N 0 3 307.350 1.573 20 5 DDBDHN NC(=O)c1ccc(NCCN2CCCCCC2)c([N+](=O)[O-])c1 ZINC000025570795 352198747 /nfs/dbraw/zinc/19/87/47/352198747.db2.gz HOABLCJPBZLUKI-UHFFFAOYSA-N 0 3 306.366 1.982 20 5 DDBDHN Cc1nn(C)c(C(=O)Nc2cccc3c2CCNC3)c1[N+](=O)[O-] ZINC000564941447 304027976 /nfs/dbraw/zinc/02/79/76/304027976.db2.gz XLBNIOQUJBTXMZ-UHFFFAOYSA-N 0 3 315.333 1.535 20 5 DDBDHN C[C@H](NCCC(=O)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173383951 198208093 /nfs/dbraw/zinc/20/80/93/198208093.db2.gz RZSJIAYAFQMHBA-ZDUSSCGKSA-N 0 3 320.393 1.410 20 5 DDBDHN Cc1c([N+](=O)[O-])cc(C(=O)NCCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000066924561 353025993 /nfs/dbraw/zinc/02/59/93/353025993.db2.gz NDEIPYGBIWPYKC-UHFFFAOYSA-N 0 3 322.321 1.635 20 5 DDBDHN COc1cc(N2CCN(C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000114011633 353978722 /nfs/dbraw/zinc/97/87/22/353978722.db2.gz CGFHRYWVONRPRW-UHFFFAOYSA-N 0 3 321.377 1.904 20 5 DDBDHN COC(=O)[C@@H]1CNCCCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000592434662 355583655 /nfs/dbraw/zinc/58/36/55/355583655.db2.gz LSZXHHJRUAVVLR-AWEZNQCLSA-N 0 3 307.350 1.240 20 5 DDBDHN CN1CCC2(CC1)CN(C(=O)c1ccccc1[N+](=O)[O-])CCO2 ZINC000592898912 355734164 /nfs/dbraw/zinc/73/41/64/355734164.db2.gz NGWAFUPVGKDAGQ-UHFFFAOYSA-N 0 3 319.361 1.532 20 5 DDBDHN Cc1cncc(CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000593027179 355773405 /nfs/dbraw/zinc/77/34/05/355773405.db2.gz ODHQAFJCFHVPNH-UHFFFAOYSA-N 0 3 316.365 1.769 20 5 DDBDHN C[C@H](O)CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594055361 356101257 /nfs/dbraw/zinc/10/12/57/356101257.db2.gz KZDXKESHWMJTCX-SMDDNHRTSA-N 0 3 310.350 1.180 20 5 DDBDHN C[C@@H](NC[C@]1(OCCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595078207 356379325 /nfs/dbraw/zinc/37/93/25/356379325.db2.gz MVYXKAKWNRVNLJ-IUODEOHRSA-N 0 3 310.350 1.413 20 5 DDBDHN COCCN1CCC(Nc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596088914 356768136 /nfs/dbraw/zinc/76/81/36/356768136.db2.gz BFXNOSSHUMMPAA-UHFFFAOYSA-N 0 3 314.773 1.588 20 5 DDBDHN CN(C)[C@]1(CNc2c(Cl)cncc2[N+](=O)[O-])CCSC1 ZINC000596149819 356792233 /nfs/dbraw/zinc/79/22/33/356792233.db2.gz RODXDMZQWYHUDJ-LBPRGKRZSA-N 0 3 316.814 1.914 20 5 DDBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1N(C)C ZINC000596176617 356802931 /nfs/dbraw/zinc/80/29/31/356802931.db2.gz CPMGULUYUJGDBS-STQMWFEESA-N 0 3 324.406 1.176 20 5 DDBDHN C[C@H](CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])N(C)C ZINC000596424217 356874274 /nfs/dbraw/zinc/87/42/74/356874274.db2.gz DORJNWMLCCAFOD-SNVBAGLBSA-N 0 3 315.395 1.750 20 5 DDBDHN CN(C)CCN(CC(=O)N(C)C)c1ccc(F)cc1[N+](=O)[O-] ZINC000596461316 356887708 /nfs/dbraw/zinc/88/77/08/356887708.db2.gz FFLJLOLGCRKZQM-UHFFFAOYSA-N 0 3 312.345 1.190 20 5 DDBDHN Cc1cc(N2CN(CCN(C)C)C(=O)[C@H]2C)c([N+](=O)[O-])s1 ZINC000596289198 356845976 /nfs/dbraw/zinc/84/59/76/356845976.db2.gz XXKYFJBNMVOWRM-SNVBAGLBSA-N 0 3 312.395 1.521 20 5 DDBDHN CC(C)(C)N1CC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000597925367 357384287 /nfs/dbraw/zinc/38/42/87/357384287.db2.gz NVQHULWRXQKFFS-LBPRGKRZSA-N 0 3 321.377 1.963 20 5 DDBDHN CN1CC[C@@](O)(CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599064839 357806004 /nfs/dbraw/zinc/80/60/04/357806004.db2.gz FONYJIVDEMXNFT-OAHLLOKOSA-N 0 3 302.334 1.622 20 5 DDBDHN COc1ccc(OCCN(C)CC2(C)COC2)c([N+](=O)[O-])c1 ZINC000599571513 357978951 /nfs/dbraw/zinc/97/89/51/357978951.db2.gz JQPWOHMYFOELCU-UHFFFAOYSA-N 0 3 310.350 1.951 20 5 DDBDHN CN(C)CCN1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601103791 358403866 /nfs/dbraw/zinc/40/38/66/358403866.db2.gz HPBXNTYRNJUVRR-UHFFFAOYSA-N 0 3 311.361 1.567 20 5 DDBDHN CC(C)C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])N(C)C ZINC000181076749 199248503 /nfs/dbraw/zinc/24/85/03/199248503.db2.gz VABLGZNWYHNGHQ-LLVKDONJSA-N 0 3 308.382 1.883 20 5 DDBDHN CC[C@@H](C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000601775628 358690119 /nfs/dbraw/zinc/69/01/19/358690119.db2.gz GQPHFJGCRNNMSC-ZFWWWQNUSA-N 0 3 309.366 1.259 20 5 DDBDHN C[C@@H]1OCC[C@H]1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602768335 359176524 /nfs/dbraw/zinc/17/65/24/359176524.db2.gz UHDMBIHWGHSDAN-STQMWFEESA-N 0 3 306.366 1.537 20 5 DDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000602831703 359223989 /nfs/dbraw/zinc/22/39/89/359223989.db2.gz PWHXIDNHNMMMKF-NVXWUHKLSA-N 0 3 322.405 1.981 20 5 DDBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3cn(C)nc3[N+](=O)[O-])[C@@H]2C1 ZINC000602834199 359224891 /nfs/dbraw/zinc/22/48/91/359224891.db2.gz SURUXXNVFAXXPZ-YUTCNCBUSA-N 0 3 321.381 1.065 20 5 DDBDHN CSC[C@@H](O)CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602961780 359325719 /nfs/dbraw/zinc/32/57/19/359325719.db2.gz CQFFOHMIZIKMSO-STQMWFEESA-N 0 3 300.380 1.116 20 5 DDBDHN CC[C@@]1(O)CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000602982686 359337809 /nfs/dbraw/zinc/33/78/09/359337809.db2.gz WUAJRYJQQFKXQC-GOEBONIOSA-N 0 3 324.377 1.571 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997598 359346661 /nfs/dbraw/zinc/34/66/61/359346661.db2.gz NKDLRMNACFFHFG-IHRRRGAJSA-N 0 3 308.382 1.725 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2C[C@]2(O)C1 ZINC000603089676 359395860 /nfs/dbraw/zinc/39/58/60/359395860.db2.gz SGNPGQZTCDIGCQ-NHYWBVRUSA-N 0 3 305.334 1.298 20 5 DDBDHN CN(C)CCc1cn(CCOc2ccc([N+](=O)[O-])cc2)nn1 ZINC000603200154 359475596 /nfs/dbraw/zinc/47/55/96/359475596.db2.gz DVXLISLPSBRBNI-UHFFFAOYSA-N 0 3 305.338 1.369 20 5 DDBDHN COc1cc([N+](=O)[O-])cn(CCN2C[C@@H](C)C[C@H](C)C2)c1=O ZINC000603356596 359590626 /nfs/dbraw/zinc/59/06/26/359590626.db2.gz BNDXTKHCVDDRNA-RYUDHWBXSA-N 0 3 309.366 1.743 20 5 DDBDHN C[C@H]1COCCN1C1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000603403028 359618660 /nfs/dbraw/zinc/61/86/60/359618660.db2.gz QRWIAHMHTSLZBM-NSHDSACASA-N 0 3 322.365 1.385 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](CCO)C2)c1 ZINC000609204401 360274048 /nfs/dbraw/zinc/27/40/48/360274048.db2.gz MUQXDZKGYRNRMX-ZFWWWQNUSA-N 0 3 324.377 1.429 20 5 DDBDHN CN1CCC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000609257955 360276678 /nfs/dbraw/zinc/27/66/78/360276678.db2.gz XMJKJWLLMUPOQT-LBPRGKRZSA-N 0 3 307.350 1.574 20 5 DDBDHN CN1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000609797420 360351130 /nfs/dbraw/zinc/35/11/30/360351130.db2.gz ZLKBVHZKVKHWFZ-CQSZACIVSA-N 0 3 305.382 1.206 20 5 DDBDHN COC(=O)c1cc(NC(=O)[C@@H]2CCN(C)C2)cc([N+](=O)[O-])c1 ZINC000609883747 360360495 /nfs/dbraw/zinc/36/04/95/360360495.db2.gz STYNPGBLBZSYSP-SECBINFHSA-N 0 3 307.306 1.272 20 5 DDBDHN C[C@@H](NCCCN(C)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000610538812 360464279 /nfs/dbraw/zinc/46/42/79/360464279.db2.gz WLYPRTQLMVXOLO-LLVKDONJSA-N 0 3 315.395 1.527 20 5 DDBDHN Cn1c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000359058414 299316446 /nfs/dbraw/zinc/31/64/46/299316446.db2.gz WYNACLBOMOERFV-LLVKDONJSA-N 0 3 306.366 1.680 20 5 DDBDHN Cn1c(C(=O)N2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000612599696 361076924 /nfs/dbraw/zinc/07/69/24/361076924.db2.gz LCNYHBMABVHBAJ-UHFFFAOYSA-N 0 3 315.333 1.291 20 5 DDBDHN O=[N+]([O-])c1cnn(CCNCc2cnn(CC(F)F)c2)c1 ZINC000292619892 223173315 /nfs/dbraw/zinc/17/33/15/223173315.db2.gz ITFNXIXAJBECJP-UHFFFAOYSA-N 0 3 300.269 1.043 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)NC[C@@H]2CCC=CO2)cc1 ZINC000194442441 201229105 /nfs/dbraw/zinc/22/91/05/201229105.db2.gz OFXIEPAMZDFZHQ-RRFJBIMHSA-N 0 3 308.334 1.271 20 5 DDBDHN CCOC(=O)[C@]1(C(C)C)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000194878137 201305532 /nfs/dbraw/zinc/30/55/32/201305532.db2.gz VJUFHNJMXCLMPI-OAHLLOKOSA-N 0 3 324.381 1.703 20 5 DDBDHN C[C@H](C(=O)NC[C@](C)(O)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000566058838 304112611 /nfs/dbraw/zinc/11/26/11/304112611.db2.gz COOSRZFJMNKWLN-BLLLJJGKSA-N 0 3 323.393 1.517 20 5 DDBDHN C[C@H](Cn1cccn1)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000264836659 204195366 /nfs/dbraw/zinc/19/53/66/204195366.db2.gz FHIFJVCFYWSKBH-NEPJUHHUSA-N 0 3 317.349 1.797 20 5 DDBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1CCN(C)CC1 ZINC000288310510 220075730 /nfs/dbraw/zinc/07/57/30/220075730.db2.gz LYLGOFZRBNJMGC-UHFFFAOYSA-N 0 3 305.378 1.938 20 5 DDBDHN CC(C)[C@H](CCO)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000266188945 205170492 /nfs/dbraw/zinc/17/04/92/205170492.db2.gz XWIJFDVNZBZBRH-AWEZNQCLSA-N 0 3 310.350 1.958 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](OC)C1 ZINC000267863979 206309566 /nfs/dbraw/zinc/30/95/66/206309566.db2.gz YPVKYYURTLMUAF-LBPRGKRZSA-N 0 3 323.349 1.653 20 5 DDBDHN C[C@@H](c1ccco1)N(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000267947290 206353736 /nfs/dbraw/zinc/35/37/36/206353736.db2.gz SLEXFAUXMWGPQQ-FZMZJTMJSA-N 0 3 320.349 1.971 20 5 DDBDHN COc1ccc(NC(=O)CN[C@@H](C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000274046689 211304647 /nfs/dbraw/zinc/30/46/47/211304647.db2.gz OZZIDMQYHTVYKQ-WDEREUQCSA-N 0 3 323.349 1.557 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCOC1CCCC1 ZINC000567679057 304233973 /nfs/dbraw/zinc/23/39/73/304233973.db2.gz JHWLEEORDVLQQF-CYBMUJFWSA-N 0 3 324.377 1.883 20 5 DDBDHN CO[C@@H]1[C@H](C)[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000295936387 532982544 /nfs/dbraw/zinc/98/25/44/532982544.db2.gz IPFBYSKMJQZSTP-BIGNPOOSSA-N 0 3 321.377 1.843 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000352590972 285161657 /nfs/dbraw/zinc/16/16/57/285161657.db2.gz PPLSADPEGVGDJS-QMTHXVAHSA-N 0 3 307.325 1.900 20 5 DDBDHN CN(C)CCN(Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000156480924 197117361 /nfs/dbraw/zinc/11/73/61/197117361.db2.gz WOSKXSTTWAAPJP-UHFFFAOYSA-N 0 3 307.306 1.985 20 5 DDBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)CCN1C ZINC000330790362 533590566 /nfs/dbraw/zinc/59/05/66/533590566.db2.gz AOGWGFBYFQORTF-ZJUUUORDSA-N 0 3 307.354 1.127 20 5 DDBDHN COc1cccc(C(=O)NCCN2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000569191591 304339872 /nfs/dbraw/zinc/33/98/72/304339872.db2.gz JADXVSBRPYLQNY-LLVKDONJSA-N 0 3 307.350 1.675 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000361064038 299797578 /nfs/dbraw/zinc/79/75/78/299797578.db2.gz YSMGWPJZMYDNST-QWRGUYRKSA-N 0 3 313.427 1.601 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2COCc3ccccc32)c1 ZINC000570626296 304417346 /nfs/dbraw/zinc/41/73/46/304417346.db2.gz FYDMNQLWBOJDDE-DZGCQCFKSA-N 0 3 318.333 1.013 20 5 DDBDHN Cc1ccc([C@H](C)NCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000038047397 406997581 /nfs/dbraw/zinc/99/75/81/406997581.db2.gz PEESOXUXMLHNOD-NSHDSACASA-N 0 3 300.380 1.989 20 5 DDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NCCN1CCCCC1 ZINC000055365932 407201649 /nfs/dbraw/zinc/20/16/49/407201649.db2.gz KSPIDFQPRVRCBX-UHFFFAOYSA-N 0 3 321.377 1.966 20 5 DDBDHN CN(C)CCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000104532656 407351079 /nfs/dbraw/zinc/35/10/79/407351079.db2.gz LZGFPWMZCPINKT-UHFFFAOYSA-N 0 3 308.382 1.160 20 5 DDBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCNC1=O ZINC000105610981 407354751 /nfs/dbraw/zinc/35/47/51/407354751.db2.gz PVDSNBURIPTXSW-OAHLLOKOSA-N 0 3 321.377 1.964 20 5 DDBDHN CC[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N(C)C ZINC000125262883 407383335 /nfs/dbraw/zinc/38/33/35/407383335.db2.gz FNHHSCWJWNPDRP-AAEUAGOBSA-N 0 3 321.381 1.343 20 5 DDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271405781 407674282 /nfs/dbraw/zinc/67/42/82/407674282.db2.gz NKIVXWZXLBWRFZ-MNOVXSKESA-N 0 3 307.354 1.027 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000115443614 407680407 /nfs/dbraw/zinc/68/04/07/407680407.db2.gz PPMAYMYLUVEZFZ-LBPRGKRZSA-N 0 3 306.366 1.712 20 5 DDBDHN C[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000171609705 407720670 /nfs/dbraw/zinc/72/06/70/407720670.db2.gz SSYWRAXWKYAZGE-LLVKDONJSA-N 0 3 306.366 1.877 20 5 DDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCNC1CC1 ZINC000236983115 407786633 /nfs/dbraw/zinc/78/66/33/407786633.db2.gz MILQNVFKQIXSRI-UHFFFAOYSA-N 0 3 313.379 1.188 20 5 DDBDHN COC(=O)c1cc(C(=O)N2C[C@H](C)NC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000272501716 407949028 /nfs/dbraw/zinc/94/90/28/407949028.db2.gz DUIFYYWDEUADPF-VHSXEESVSA-N 0 3 321.333 1.204 20 5 DDBDHN CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C)C1 ZINC000153896429 407926443 /nfs/dbraw/zinc/92/64/43/407926443.db2.gz AJQDQOXVUQVKEB-CYBMUJFWSA-N 0 3 307.350 1.526 20 5 DDBDHN CSCCN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182024193 408065090 /nfs/dbraw/zinc/06/50/90/408065090.db2.gz KHFYWDBEZQWPAQ-NSHDSACASA-N 0 3 300.380 1.629 20 5 DDBDHN CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CCN1C[C@@H](C)O ZINC000150767519 408196566 /nfs/dbraw/zinc/19/65/66/408196566.db2.gz LCRLUWVUTSKYIN-YPMHNXCESA-N 0 3 308.382 1.580 20 5 DDBDHN COC[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273339207 408157404 /nfs/dbraw/zinc/15/74/04/408157404.db2.gz NIMCEMDYUYQEKH-STQMWFEESA-N 0 3 310.350 1.303 20 5 DDBDHN O=C([C@H]1CCCCN1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000150708469 408191675 /nfs/dbraw/zinc/19/16/75/408191675.db2.gz MLFSLINQLWIZFR-CYBMUJFWSA-N 0 3 318.377 1.386 20 5 DDBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000175968568 408253527 /nfs/dbraw/zinc/25/35/27/408253527.db2.gz NWYXFLXKDUKVIS-NSHDSACASA-N 0 3 306.366 1.781 20 5 DDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN2CCC[C@H]2C1 ZINC000246315642 408216468 /nfs/dbraw/zinc/21/64/68/408216468.db2.gz KBGUGJKJJZPNRT-DOMZBBRYSA-N 0 3 318.377 1.702 20 5 DDBDHN CCO[C@@H]1C[C@H](O)C12CCN(CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000176261556 408326939 /nfs/dbraw/zinc/32/69/39/408326939.db2.gz WYFSTDWVBFYQJL-QWHCGFSZSA-N 0 3 324.381 1.043 20 5 DDBDHN CN(C)C[C@@H]1CCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000263909208 408308724 /nfs/dbraw/zinc/30/87/24/408308724.db2.gz IUAYLAVMSXPHSG-ZDUSSCGKSA-N 0 3 320.393 1.949 20 5 DDBDHN Nc1c(C(=O)N2CC[C@@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000176398747 408356685 /nfs/dbraw/zinc/35/66/85/408356685.db2.gz DGQWLLXQZUVTDB-LLVKDONJSA-N 0 3 304.350 1.487 20 5 DDBDHN O=C(NCCN1CCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000172126350 162260259 /nfs/dbraw/zinc/26/02/59/162260259.db2.gz XWNZRPXWMVIRDO-UHFFFAOYSA-N 0 3 302.334 1.902 20 5 DDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1 ZINC000173446193 162339720 /nfs/dbraw/zinc/33/97/20/162339720.db2.gz OPMLIPDBJWWVIX-HNNXBMFYSA-N 0 3 303.362 1.834 20 5 DDBDHN CN1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@H]1c1ccccc1 ZINC000270338984 408494573 /nfs/dbraw/zinc/49/45/73/408494573.db2.gz ZBGUPNRJIBOLBA-WCQYABFASA-N 0 3 314.349 1.824 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177033702 408502474 /nfs/dbraw/zinc/50/24/74/408502474.db2.gz SMCLSNVZAAOGAC-NWDGAFQWSA-N 0 3 318.377 1.748 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)[C@H]2C1 ZINC000276337663 408839001 /nfs/dbraw/zinc/83/90/01/408839001.db2.gz HOPWYXVSVWSKNP-YGRLFVJLSA-N 0 3 304.350 1.343 20 5 DDBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN2CCC1CC2 ZINC000188854503 163073228 /nfs/dbraw/zinc/07/32/28/163073228.db2.gz CFMMAGLPWDYEBQ-ZZXKWVIFSA-N 0 3 301.346 1.915 20 5 DDBDHN CN(C)C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000278466084 409084284 /nfs/dbraw/zinc/08/42/84/409084284.db2.gz NEUDFIDVVWTVIZ-NSHDSACASA-N 0 3 305.338 1.238 20 5 DDBDHN Cc1ccc(C(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)cc1[N+](=O)[O-] ZINC000293567611 409140171 /nfs/dbraw/zinc/14/01/71/409140171.db2.gz DGDIHUBYRHJFSU-TZMCWYRMSA-N 0 3 321.377 1.430 20 5 DDBDHN CN1CC[C@@]2(CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000293584203 409142963 /nfs/dbraw/zinc/14/29/63/409142963.db2.gz ANVNIKKECDORLQ-OAHLLOKOSA-N 0 3 307.325 1.902 20 5 DDBDHN CC(C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000294143087 409247714 /nfs/dbraw/zinc/24/77/14/409247714.db2.gz PMFLMBDSRINWOX-SECBINFHSA-N 0 3 314.363 1.379 20 5 DDBDHN C[C@@H](NCCN1CCOC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293893567 409201845 /nfs/dbraw/zinc/20/18/45/409201845.db2.gz WACVSYOIXGVUJI-GFCCVEGCSA-N 0 3 322.409 1.938 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H]2CCN(C)C[C@@H]21 ZINC000284715656 409359227 /nfs/dbraw/zinc/35/92/27/409359227.db2.gz ULZRFXDBGTWFQS-JKSUJKDBSA-N 0 3 305.378 1.808 20 5 DDBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295389144 409460557 /nfs/dbraw/zinc/46/05/57/409460557.db2.gz KZODMTYQMSYXRX-OAGGEKHMSA-N 0 3 321.377 1.033 20 5 DDBDHN C[C@H](N[C@H]1CCCN(C)[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000342709354 409835662 /nfs/dbraw/zinc/83/56/62/409835662.db2.gz JUMUHURTZHADPT-HUBLWGQQSA-N 0 3 320.393 1.994 20 5 DDBDHN CN1CC[C@](O)(CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000358361128 410453938 /nfs/dbraw/zinc/45/39/38/410453938.db2.gz WGNGXKOOUJGUDA-HNNXBMFYSA-N 0 3 302.334 1.622 20 5 DDBDHN CN1CCC(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000299139438 410541327 /nfs/dbraw/zinc/54/13/27/410541327.db2.gz OOHOYBIMVXNAHX-UHFFFAOYSA-N 0 3 302.334 1.900 20 5 DDBDHN CN(C)CCOCCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000347825111 410744347 /nfs/dbraw/zinc/74/43/47/410744347.db2.gz IEVDRRNLTJZQQQ-UHFFFAOYSA-N 0 3 324.381 1.015 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000359595214 410758127 /nfs/dbraw/zinc/75/81/27/410758127.db2.gz OWGLSYRXYFETGJ-WDEREUQCSA-N 0 3 313.427 1.601 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1CCC[C@H]1OC(F)F ZINC000348519901 410994778 /nfs/dbraw/zinc/99/47/78/410994778.db2.gz GPBIHJBUDPGTPY-GHMZBOCLSA-N 0 3 317.292 1.506 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)n1 ZINC000191632787 222106698 /nfs/dbraw/zinc/10/66/98/222106698.db2.gz PDMPXYUYXRYKGZ-QWRGUYRKSA-N 0 3 309.370 1.223 20 5 DDBDHN C[C@H]1[NH2+]CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000193451618 222155749 /nfs/dbraw/zinc/15/57/49/222155749.db2.gz DQWSKYONVCYBDG-HTQZYQBOSA-N 0 3 305.381 1.075 20 5 DDBDHN CCn1cc(CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000375724407 418676967 /nfs/dbraw/zinc/67/69/67/418676967.db2.gz VXZIARMAMPIPTL-UHFFFAOYSA-N 0 3 318.381 1.887 20 5 DDBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCC(=O)N(C)C1=O ZINC000424310401 228257384 /nfs/dbraw/zinc/25/73/84/228257384.db2.gz CGRHUUVFVZONRO-DGCLKSJQSA-N 0 3 319.361 1.653 20 5 DDBDHN CCOc1cc(CN[C@H](CO)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000411993365 419553813 /nfs/dbraw/zinc/55/38/13/419553813.db2.gz ZAQUAJJIIIDPTO-ZIAGYGMSSA-N 0 3 324.377 1.871 20 5 DDBDHN C[C@@]1(F)CNCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000420328166 420212569 /nfs/dbraw/zinc/21/25/69/420212569.db2.gz DXDKJUVDZJMLBW-CQSZACIVSA-N 0 3 310.329 1.167 20 5 DDBDHN C[C@@]1(F)CNCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000420337476 420218923 /nfs/dbraw/zinc/21/89/23/420218923.db2.gz QVEINZUFVPISFT-OAHLLOKOSA-N 0 3 324.356 1.557 20 5 DDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCC[C@@H]1CCC[NH2+]1 ZINC000420448538 420294983 /nfs/dbraw/zinc/29/49/83/420294983.db2.gz ROYARQHXGOKUSD-NSHDSACASA-N 0 3 313.379 1.405 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC2(CNC(=O)N2C)CC1 ZINC000425371728 420366511 /nfs/dbraw/zinc/36/65/11/420366511.db2.gz LZXSKZBELDBWPH-UHFFFAOYSA-N 0 3 318.377 1.893 20 5 DDBDHN Cc1c(CC(=O)N2CCN(C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000438840396 420467360 /nfs/dbraw/zinc/46/73/60/420467360.db2.gz YUFFYOBXKPXSNE-LBPRGKRZSA-N 0 3 305.378 1.998 20 5 DDBDHN CC(C)(CN1CCCC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000450951490 420568141 /nfs/dbraw/zinc/56/81/41/420568141.db2.gz QASMKEKSUILNHG-UHFFFAOYSA-N 0 3 307.354 1.375 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@H]1CN(C)CCN1C ZINC000449138852 420958869 /nfs/dbraw/zinc/95/88/69/420958869.db2.gz JEMXUEFKZVUKRL-ZFWWWQNUSA-N 0 3 306.410 1.361 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC(=O)N(C2CC2)C1 ZINC000449223012 420972103 /nfs/dbraw/zinc/97/21/03/420972103.db2.gz IYYWOMVUKNSYNM-AAEUAGOBSA-N 0 3 303.362 1.879 20 5 DDBDHN O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CNCCC1(F)F ZINC000449657232 421048658 /nfs/dbraw/zinc/04/86/58/421048658.db2.gz OEHFGLQJELDQPG-NSHDSACASA-N 0 3 315.276 1.087 20 5 DDBDHN CNc1nc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000455769100 421059579 /nfs/dbraw/zinc/05/95/79/421059579.db2.gz YUSJAPJMERAGML-VHSXEESVSA-N 0 3 307.354 1.244 20 5 DDBDHN CNc1nc(C(=O)N2CCC[C@@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000455363574 421003494 /nfs/dbraw/zinc/00/34/94/421003494.db2.gz XRYUYDSKNOCAPD-SNVBAGLBSA-N 0 3 307.354 1.198 20 5 DDBDHN CC(C)[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000488177658 421074208 /nfs/dbraw/zinc/07/42/08/421074208.db2.gz FZZUUTDAIFQADI-OAHLLOKOSA-N 0 3 320.393 1.805 20 5 DDBDHN CCCN1CCC[C@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000567625554 421612977 /nfs/dbraw/zinc/61/29/77/421612977.db2.gz SMZINUMZBXQOMT-JTQLQIEISA-N 0 3 307.354 1.176 20 5 DDBDHN CN(CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC(=O)N(C)C1 ZINC000518674174 421662364 /nfs/dbraw/zinc/66/23/64/421662364.db2.gz BPDYIODSOXWSLV-GFCCVEGCSA-N 0 3 307.350 1.526 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCC3(O)CCC3)C2)nc1 ZINC000520531259 421754544 /nfs/dbraw/zinc/75/45/44/421754544.db2.gz HXAWEFMGTVSIGW-LBPRGKRZSA-N 0 3 306.366 1.781 20 5 DDBDHN Cc1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000578933111 422674475 /nfs/dbraw/zinc/67/44/75/422674475.db2.gz PGBBBCSRGLOCCZ-AWEZNQCLSA-N 0 3 317.345 1.828 20 5 DDBDHN CN(C)c1nccc(CNCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000342405628 271404799 /nfs/dbraw/zinc/40/47/99/271404799.db2.gz UEFLZUBWWMICSK-UHFFFAOYSA-N 0 3 301.350 1.783 20 5 DDBDHN CS[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H]1N(C)C ZINC000340732354 274182902 /nfs/dbraw/zinc/18/29/02/274182902.db2.gz ACMHUUOGKDEPLM-NXEZZACHSA-N 0 3 322.394 1.119 20 5 DDBDHN CCN(CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C1CC1 ZINC000078496216 276130070 /nfs/dbraw/zinc/13/00/70/276130070.db2.gz UGIMIBVKHLLYMQ-UHFFFAOYSA-N 0 3 320.393 1.875 20 5 DDBDHN CCN1CCC[C@H]1CN(C)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269468883 276377408 /nfs/dbraw/zinc/37/74/08/276377408.db2.gz ILVNMBIWUOUDBK-NSHDSACASA-N 0 3 323.397 1.998 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)CS(C)(=O)=O ZINC000449148625 279382412 /nfs/dbraw/zinc/38/24/12/279382412.db2.gz UBHBUDCAZWKHJU-MNOVXSKESA-N 0 3 300.380 1.549 20 5 DDBDHN O=C(N[C@@H]1CNCCC1(F)F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000449658210 279925662 /nfs/dbraw/zinc/92/56/62/279925662.db2.gz SDFZGYOFPAVGLR-SNVBAGLBSA-N 0 3 319.695 1.975 20 5 DDBDHN COCCO[C@@H]1COCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000362515668 300083632 /nfs/dbraw/zinc/08/36/32/300083632.db2.gz ITONMCAIUZJNHW-LSDHHAIUSA-N 0 3 310.350 1.505 20 5 DDBDHN Cc1n[nH]c(C(=O)NC[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000299569308 300898536 /nfs/dbraw/zinc/89/85/36/300898536.db2.gz VSMKMJIHPLJPOA-GFCCVEGCSA-N 0 3 317.349 1.659 20 5 DDBDHN CN1CCN(C[C@@H]2CCCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000369027629 301121308 /nfs/dbraw/zinc/12/13/08/301121308.db2.gz PSHMFEFJUPZKPX-AWEZNQCLSA-N 0 3 319.409 1.454 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCC(OC3CCOCC3)CC2)c1 ZINC000369995053 301254091 /nfs/dbraw/zinc/25/40/91/301254091.db2.gz JLBKDLZSRYVMKB-UHFFFAOYSA-N 0 3 324.381 1.451 20 5 DDBDHN C[C@H]1CN(C2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)CCO1 ZINC000370055777 301268052 /nfs/dbraw/zinc/26/80/52/301268052.db2.gz MYYFBSUGLAEDII-LBPRGKRZSA-N 0 3 323.397 1.013 20 5 DDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000377468632 302182112 /nfs/dbraw/zinc/18/21/12/302182112.db2.gz CIDNPQDIYJATOW-KBPBESRZSA-N 0 3 305.334 1.188 20 5 DDBDHN Cc1cccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000377481538 302183762 /nfs/dbraw/zinc/18/37/62/302183762.db2.gz LZKAHZGMXOUWRT-OLZOCXBDSA-N 0 3 319.361 1.496 20 5 DDBDHN CC(C)[C@@]1(CO)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000377651842 302203925 /nfs/dbraw/zinc/20/39/25/302203925.db2.gz KGAWZKZZVPQTKD-CVEARBPZSA-N 0 3 308.378 1.969 20 5 DDBDHN CN1CCC(O)(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000397537742 302355389 /nfs/dbraw/zinc/35/53/89/302355389.db2.gz QSRUPNOJTAQKQQ-WAYWQWQTSA-N 0 3 319.361 1.181 20 5 DDBDHN Cc1nn(CCC(=O)NC[C@@H](C)N2CCCC2)c(C)c1[N+](=O)[O-] ZINC000523224024 302895141 /nfs/dbraw/zinc/89/51/41/302895141.db2.gz HTIGIYYMNPPVBN-LLVKDONJSA-N 0 3 323.397 1.399 20 5 DDBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000540890981 303410441 /nfs/dbraw/zinc/41/04/41/303410441.db2.gz FDZJNHPNBZWGSJ-NSHDSACASA-N 0 3 308.382 1.736 20 5 DDBDHN CC1(O)C[C@H]2CC[C@@H](C1)N2CCn1cc([N+](=O)[O-])ccc1=O ZINC000367141082 307086896 /nfs/dbraw/zinc/08/68/96/307086896.db2.gz NYMLSWSDHZTHAC-ODOQXGPZSA-N 0 3 307.350 1.134 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](C[C@@H]3CCOC3)C2)n1 ZINC000373142414 307180455 /nfs/dbraw/zinc/18/04/55/307180455.db2.gz TWHLPVPDYYFKIS-KBPBESRZSA-N 0 3 308.382 1.930 20 5 DDBDHN O=[N+]([O-])c1cnc(N2CCC[C@H]2CN2CCC[C@@H]2CO)s1 ZINC000374490963 307209084 /nfs/dbraw/zinc/20/90/84/307209084.db2.gz XWLYQRBPCMUFOL-WDEREUQCSA-N 0 3 312.395 1.477 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC([C@H]3CCCOC3)CC2)n1 ZINC000374741188 307213215 /nfs/dbraw/zinc/21/32/15/307213215.db2.gz YFAADHNODVDMEK-AWEZNQCLSA-N 0 3 308.382 1.930 20 5 DDBDHN O=C(CN[C@H]1CCO[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000375440612 307226710 /nfs/dbraw/zinc/22/67/10/307226710.db2.gz YCTPYWFENONTTA-WFASDCNBSA-N 0 3 305.334 1.690 20 5 DDBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000567302118 308077328 /nfs/dbraw/zinc/07/73/28/308077328.db2.gz CMERLAUOJYZDDP-NSHDSACASA-N 0 3 309.370 1.573 20 5 DDBDHN CNc1ccc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000572932666 308226416 /nfs/dbraw/zinc/22/64/16/308226416.db2.gz LSULSESLIOACHR-SMDDNHRTSA-N 0 3 304.350 1.413 20 5 DDBDHN C[C@H](C(=O)NCCOCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000573544269 308243722 /nfs/dbraw/zinc/24/37/22/308243722.db2.gz FJURIEUYMWNNOQ-LBPRGKRZSA-N 0 3 309.366 1.393 20 5 DDBDHN COCCN1CC[C@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000264557244 490711152 /nfs/dbraw/zinc/71/11/52/490711152.db2.gz DTSVVXDZCKWFNA-VIFPVBQESA-N 0 3 311.367 1.437 20 5 DDBDHN C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000294526585 534075066 /nfs/dbraw/zinc/07/50/66/534075066.db2.gz WUYKIAHIUPZFBK-LLVKDONJSA-N 0 3 307.350 1.624 20 5 DDBDHN NC(=O)c1ccc(CN2CC[C@H](O)C23CCCC3)c([N+](=O)[O-])c1 ZINC000292587734 534481166 /nfs/dbraw/zinc/48/11/66/534481166.db2.gz CSOCDEPWPDQTHH-AWEZNQCLSA-N 0 3 319.361 1.573 20 5 DDBDHN Cc1ccc(NCCCNC(=O)[C@@]2(F)CCNC2)c([N+](=O)[O-])c1 ZINC000160485659 525277492 /nfs/dbraw/zinc/27/74/92/525277492.db2.gz ZNNSGVHQYONZMV-OAHLLOKOSA-N 0 3 324.356 1.523 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(CC)C2)c1 ZINC000412880632 528612812 /nfs/dbraw/zinc/61/28/12/528612812.db2.gz RMMQGIFZQGCBDS-LLVKDONJSA-N 0 3 307.350 1.818 20 5 DDBDHN CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821241151 606731179 /nfs/dbraw/zinc/73/11/79/606731179.db2.gz KGNQDKJJBORQJO-SKDRFNHKSA-N 0 3 317.353 1.527 20 5 DDBDHN CC[N@H+]1C[C@@H](C)[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000821241151 606731181 /nfs/dbraw/zinc/73/11/81/606731181.db2.gz KGNQDKJJBORQJO-SKDRFNHKSA-N 0 3 317.353 1.527 20 5 DDBDHN C[NH+](C)C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821582875 606858381 /nfs/dbraw/zinc/85/83/81/606858381.db2.gz AQYIUKWCGCOFFK-LLVKDONJSA-N 0 3 317.353 1.305 20 5 DDBDHN C[NH+](C)C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821582875 606858383 /nfs/dbraw/zinc/85/83/83/606858383.db2.gz AQYIUKWCGCOFFK-LLVKDONJSA-N 0 3 317.353 1.305 20 5 DDBDHN C[N@H+]1CC=C(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000826021643 608587309 /nfs/dbraw/zinc/58/73/09/608587309.db2.gz BLKWAIAVEIBNGM-UHFFFAOYSA-N 0 3 315.337 1.449 20 5 DDBDHN C[N@@H+]1CC=C(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000826021643 608587310 /nfs/dbraw/zinc/58/73/10/608587310.db2.gz BLKWAIAVEIBNGM-UHFFFAOYSA-N 0 3 315.337 1.449 20 5 DDBDHN Cc1cc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000749388545 700160899 /nfs/dbraw/zinc/16/08/99/700160899.db2.gz ZJAHZXWXDHPHCQ-GFCCVEGCSA-N 0 3 318.377 1.794 20 5 DDBDHN COCCN1CCC[C@@H](Nc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000729987785 699496912 /nfs/dbraw/zinc/49/69/12/699496912.db2.gz ROEIRYFZLVWMFL-GFCCVEGCSA-N 0 3 319.365 1.765 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000758332463 700699269 /nfs/dbraw/zinc/69/92/69/700699269.db2.gz BJFDNSBOFSVNLQ-TVQRCGJNSA-N 0 3 307.325 1.946 20 5 DDBDHN C[C@]12CN(Cc3ccc([N+](=O)[O-])c(F)c3)C[C@]1(C)C(=O)NC2=O ZINC000879158117 706602025 /nfs/dbraw/zinc/60/20/25/706602025.db2.gz NQTQHNGEDUAWLS-HUUCEWRRSA-N 0 3 321.308 1.219 20 5 DDBDHN CCN(CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1C ZINC000810058499 701717730 /nfs/dbraw/zinc/71/77/30/701717730.db2.gz TVGDXMAKOYJNBC-UHFFFAOYSA-N 0 3 316.379 1.954 20 5 DDBDHN CC[C@@H]1CN(C)CCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000840094478 701966297 /nfs/dbraw/zinc/96/62/97/701966297.db2.gz UMOJYMTZSIKBAX-CYBMUJFWSA-N 0 3 303.366 1.928 20 5 DDBDHN CC[C@@H]1CN(C)CCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000840094779 701966471 /nfs/dbraw/zinc/96/64/71/701966471.db2.gz WZONBSPLDVPLMN-CYBMUJFWSA-N 0 3 303.366 1.928 20 5 DDBDHN CC(COC(=O)c1cccc(CN2CCOCC2)c1)[N+](=O)[O-] ZINC000813104527 702292248 /nfs/dbraw/zinc/29/22/48/702292248.db2.gz DKIIRQKLSXBNNP-LBPRGKRZSA-N 0 3 308.334 1.341 20 5 DDBDHN CC(COC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1)[N+](=O)[O-] ZINC000813104872 702293115 /nfs/dbraw/zinc/29/31/15/702293115.db2.gz SMWOJGIPQBSEQR-BLLLJJGKSA-N 0 3 320.345 1.890 20 5 DDBDHN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)OCC(C)[N+](=O)[O-])C2=O ZINC000813112687 702298050 /nfs/dbraw/zinc/29/80/50/702298050.db2.gz SWVOWGQVEAKNOX-VHSXEESVSA-N 0 3 320.301 1.188 20 5 DDBDHN O=C1N[C@@H](CN2CCCCC2)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000813355529 702336510 /nfs/dbraw/zinc/33/65/10/702336510.db2.gz LGFXWXSHIJBHHN-ZDUSSCGKSA-N 0 3 318.333 1.506 20 5 DDBDHN Cc1ccc([C@@H](O)CNC[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000843089837 702816885 /nfs/dbraw/zinc/81/68/85/702816885.db2.gz TVHYKYVSQFWDMM-KBPBESRZSA-N 0 3 306.318 1.853 20 5 DDBDHN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCN1 ZINC000843468031 702888175 /nfs/dbraw/zinc/88/81/75/702888175.db2.gz NKTMHGJBMHCXEY-CQSZACIVSA-N 0 3 320.393 1.731 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)OC[C@@H]1CCN1C(C)(C)C ZINC000845733416 703195122 /nfs/dbraw/zinc/19/51/22/703195122.db2.gz ALPHFQVZBXTRCS-LBPRGKRZSA-N 0 3 324.381 1.906 20 5 DDBDHN CC([C@H](OC(=O)CCn1ccnn1)c1ccccc1F)[N+](=O)[O-] ZINC000845883742 703212168 /nfs/dbraw/zinc/21/21/68/703212168.db2.gz VLXUZQYNVWZUPT-YGRLFVJLSA-N 0 3 322.296 1.757 20 5 DDBDHN N[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1F ZINC000851649084 703822484 /nfs/dbraw/zinc/82/24/84/703822484.db2.gz SQQHLYDEHARYIA-NXEZZACHSA-N 0 3 301.705 1.760 20 5 DDBDHN CCn1cccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1=O ZINC000819272385 704098254 /nfs/dbraw/zinc/09/82/54/704098254.db2.gz UHUXVGDJQCGLSP-HNNXBMFYSA-N 0 3 317.345 1.600 20 5 DDBDHN CC(COC(=O)c1cc(Br)c[nH]c1=O)[N+](=O)[O-] ZINC000857030097 704548223 /nfs/dbraw/zinc/54/82/23/704548223.db2.gz TVGICNMDLRCQLZ-YFKPBYRVSA-N 0 3 305.084 1.372 20 5 DDBDHN C[NH2+]C[C@H](C)[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764813 704622011 /nfs/dbraw/zinc/62/20/11/704622011.db2.gz BDMYYDBXMNPHQM-QMMMGPOBSA-N 0 3 303.265 1.291 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000823100738 705139787 /nfs/dbraw/zinc/13/97/87/705139787.db2.gz IHNCATLRNQNNMQ-OCCSQVGLSA-N 0 3 303.362 1.988 20 5 DDBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@](C)(O)c1ccccc1 ZINC000823591361 705274753 /nfs/dbraw/zinc/27/47/53/705274753.db2.gz KCFFYQAMIVCNTG-HNNXBMFYSA-N 0 3 304.350 1.631 20 5 DDBDHN CCN1C(=O)C[C@H](C(=O)OCC(C)[N+](=O)[O-])[C@H]1c1cccnc1 ZINC000835455212 707256098 /nfs/dbraw/zinc/25/60/98/707256098.db2.gz NCSHTDGPOCATEY-VHRBIJSZSA-N 0 3 321.333 1.200 20 5 DDBDHN CN(CCn1nc([N+](=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1 ZINC000829834325 706404510 /nfs/dbraw/zinc/40/45/10/706404510.db2.gz UFRVQJANSVFOGZ-UHFFFAOYSA-N 0 3 305.294 1.832 20 5 DDBDHN C[C@]1(C(F)(F)F)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000880001598 706850289 /nfs/dbraw/zinc/85/02/89/706850289.db2.gz RCJQICRFJDBYKI-QWRGUYRKSA-N 0 3 322.287 1.427 20 5 DDBDHN CN1CCC[C@H]2[C@H]1CCN2c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000872778801 707596945 /nfs/dbraw/zinc/59/69/45/707596945.db2.gz BWLWHGHHTQWBSK-NEPJUHHUSA-N 0 3 304.350 1.367 20 5 DDBDHN CN1CCN(C2CCN(c3ccnc(F)c3[N+](=O)[O-])CC2)CC1 ZINC000882700810 707752919 /nfs/dbraw/zinc/75/29/19/707752919.db2.gz XIIUOQWWMXYUHW-UHFFFAOYSA-N 0 3 323.372 1.345 20 5 DDBDHN COc1c(O)ccc(CN[C@@H]2COC[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000898380077 708627786 /nfs/dbraw/zinc/62/77/86/708627786.db2.gz LHBUTHWEBUJVNZ-VXGBXAGGSA-N 0 3 308.334 1.824 20 5 DDBDHN COC(=O)c1cc(C)nc(N[C@H]2CCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000895734807 711590305 /nfs/dbraw/zinc/59/03/05/711590305.db2.gz AUPOKUSTSAFVKI-ONGXEEELSA-N 0 3 308.338 1.589 20 5 DDBDHN CCC1(CC)CNC(=O)[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000933291451 714556074 /nfs/dbraw/zinc/55/60/74/714556074.db2.gz WXYLSOPLVIYSMJ-AWEZNQCLSA-N 0 3 321.377 1.868 20 5 DDBDHN NC(=O)[C@]12CCC[C@H]1CN(Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000933749555 714663013 /nfs/dbraw/zinc/66/30/13/714663013.db2.gz CVESGJXRRMRUII-NHYWBVRUSA-N 0 3 307.325 1.821 20 5 DDBDHN CC(C)(CNCc1cccc([N+](=O)[O-])c1)CS(C)(=O)=O ZINC000693053322 732861981 /nfs/dbraw/zinc/86/19/81/732861981.db2.gz NWYOVOQULINJNQ-UHFFFAOYSA-N 0 3 300.380 1.755 20 5 DDBDHN CCCN(C)CC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001105441974 741696572 /nfs/dbraw/zinc/69/65/72/741696572.db2.gz TXPFVWMUXDSAQB-UHFFFAOYSA-N 0 3 323.397 1.226 20 5 DDBDHN O=C(NC1CN(CC2CCC(F)(F)CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030293718 744025467 /nfs/dbraw/zinc/02/54/67/744025467.db2.gz QBHILEKIQGCPTL-VXGBXAGGSA-N 0 3 317.336 1.278 20 5 DDBDHN Cc1nc(C)c(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)o1 ZINC001125208342 749023653 /nfs/dbraw/zinc/02/36/53/749023653.db2.gz HCAZADICTADJIM-UHFFFAOYSA-N 0 3 318.333 1.719 20 5 DDBDHN COCCC1(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CC1 ZINC001129039922 751112984 /nfs/dbraw/zinc/11/29/84/751112984.db2.gz ZIGUALAPRNALQJ-UHFFFAOYSA-N 0 3 321.377 1.617 20 5 DDBDHN COc1ccc(OC)c(C(=O)CN[C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168959409 762155234 /nfs/dbraw/zinc/15/52/34/762155234.db2.gz VRRYJOJCFPBUAR-NWDGAFQWSA-N 0 3 322.361 1.922 20 5 DDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(CCc3ccccn3)CC2)C1 ZINC001169027423 762183425 /nfs/dbraw/zinc/18/34/25/762183425.db2.gz PKSRSXRYQWTLNO-WBVHZDCISA-N 0 3 318.421 1.687 20 5 DDBDHN NCc1cnnn1-c1nc2cc([N+](=O)[O-])ccc2nc1Cl ZINC001169307707 762354973 /nfs/dbraw/zinc/35/49/73/762354973.db2.gz BGGMHPCHQKHGNB-UHFFFAOYSA-N 0 3 305.685 1.231 20 5 DDBDHN C[C@@H](Nc1ccc([N+](=O)[O-])c2c1CCN(C)C2)[C@H]1CNCCO1 ZINC001170577366 768264490 /nfs/dbraw/zinc/26/44/90/768264490.db2.gz ZFFNTXJYUKMEBX-BDJLRTHQSA-N 0 3 320.393 1.372 20 5 DDBDHN Cc1ncc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)n1C ZINC001132889402 769291798 /nfs/dbraw/zinc/29/17/98/769291798.db2.gz CPNXFSPVFQONNM-UHFFFAOYSA-N 0 3 317.349 1.156 20 5 DDBDHN CN(C)c1cc[nH+]c(CNC(=O)c2[n-]nc([N+](=O)[O-])c2Cl)c1 ZINC001177953682 778804231 /nfs/dbraw/zinc/80/42/31/778804231.db2.gz OZOPRCDDVYVFMI-UHFFFAOYSA-N 0 3 324.728 1.362 20 5 DDBDHN Cc1cc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)on1 ZINC001154554966 861211782 /nfs/dbraw/zinc/21/17/82/861211782.db2.gz OBMIRLZTIAMOBN-UHFFFAOYSA-N 0 3 324.362 1.862 20 5 DDBDHN CN(CCCNCc1c([N+](=O)[O-])ncn1C)C(=O)C1CC=CC1 ZINC001275921945 853956032 /nfs/dbraw/zinc/95/60/32/853956032.db2.gz FVLRLCMJCCOQKZ-UHFFFAOYSA-N 0 3 321.381 1.233 20 5 DDBDHN O=C(N[C@@H]1COC2(CNC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001122142766 858695780 /nfs/dbraw/zinc/69/57/80/858695780.db2.gz ZUYJMJIBHWXOHY-JTQLQIEISA-N 0 3 311.725 1.109 20 5 DDBDHN Cc1cnc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC001122917841 859007472 /nfs/dbraw/zinc/00/74/72/859007472.db2.gz SROSJKSHQHYNKA-UHFFFAOYSA-N 0 3 315.333 1.213 20 5 DDBDHN Cc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)no1 ZINC001123186450 859120280 /nfs/dbraw/zinc/12/02/80/859120280.db2.gz BHWOFQHUXPDCOJ-UHFFFAOYSA-N 0 3 304.306 1.411 20 5 DDBDHN C[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001159499873 865357672 /nfs/dbraw/zinc/35/76/72/865357672.db2.gz QGTGUXDLZPHOTC-IINYFYTJSA-N 0 3 302.334 1.932 20 5 DDBDHN C[C@@H](NC(=O)N1CCOC2(CNC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001335622869 868432004 /nfs/dbraw/zinc/43/20/04/868432004.db2.gz KGOFKUQYHAPEQE-LLVKDONJSA-N 0 3 320.349 1.040 20 5 DDBDHN Cc1n[nH]c(=O)c(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC001345606874 873454324 /nfs/dbraw/zinc/45/43/24/873454324.db2.gz ROEOLFXFYGKWGP-AWEZNQCLSA-N 0 3 318.333 1.530 20 5 DDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001348998646 874915306 /nfs/dbraw/zinc/91/53/06/874915306.db2.gz MLTKTYAHMOTCFZ-NWDGAFQWSA-N 0 3 322.340 1.625 20 5 DDBDHN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(O[C@@H]2CCN(C(C)C)C2)n1 ZINC001234910139 888245903 /nfs/dbraw/zinc/24/59/03/888245903.db2.gz MOLWHZHOCWYXPE-LLVKDONJSA-N 0 3 323.353 1.513 20 5 DDBDHN CCOCCC(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001235585120 888775603 /nfs/dbraw/zinc/77/56/03/888775603.db2.gz VLLCOFXSIRUYFE-UHFFFAOYSA-N 0 3 323.393 1.960 20 5 DDBDHN O=C1NCCN1CCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550132 231124643 /nfs/dbraw/zinc/12/46/43/231124643.db2.gz REZBRCHPDDQYSC-AWEZNQCLSA-N 0 3 318.377 1.799 20 5 DDBDHN CN(C(=O)CN1C[C@@H]2CCN(C)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000451627401 231143671 /nfs/dbraw/zinc/14/36/71/231143671.db2.gz GYVJQBRLQYDGEY-SWLSCSKDSA-N 0 3 318.377 1.194 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H]2OCCC[C@@H]2C1 ZINC000090552772 185302981 /nfs/dbraw/zinc/30/29/81/185302981.db2.gz BWRJNKKFBHSNNV-OCCSQVGLSA-N 0 3 307.350 1.257 20 5 DDBDHN Cc1nn(C)c(NC[C@@H](O)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000078727598 282274642 /nfs/dbraw/zinc/27/46/42/282274642.db2.gz SMWCVHIOXAILPQ-GFCCVEGCSA-N 0 3 311.386 1.141 20 5 DDBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000029092112 352234927 /nfs/dbraw/zinc/23/49/27/352234927.db2.gz PEBODCYXZQJNJB-UHFFFAOYSA-N 0 3 303.362 1.880 20 5 DDBDHN CN1CCC(NC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000043180619 352363144 /nfs/dbraw/zinc/36/31/44/352363144.db2.gz YGSBOWRTHDYTLL-UHFFFAOYSA-N 0 3 321.381 1.400 20 5 DDBDHN CC(C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000055467232 352735157 /nfs/dbraw/zinc/73/51/57/352735157.db2.gz ACHQLVGDNWBZEI-IUCAKERBSA-N 0 3 300.336 1.205 20 5 DDBDHN C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000057710410 352826330 /nfs/dbraw/zinc/82/63/30/352826330.db2.gz AVAGEZWSUPWORZ-NSHDSACASA-N 0 3 307.350 1.573 20 5 DDBDHN C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)N1CCC(C)CC1 ZINC000067269372 353040780 /nfs/dbraw/zinc/04/07/80/353040780.db2.gz VHCAVDGYGBKKMZ-ZDUSSCGKSA-N 0 3 323.397 1.418 20 5 DDBDHN COc1ccc(C(=O)N2CCC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000068342227 353105502 /nfs/dbraw/zinc/10/55/02/353105502.db2.gz OOMRBIZTDRQLEB-GFCCVEGCSA-N 0 3 307.350 1.770 20 5 DDBDHN C[C@H](c1ccco1)N(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000086233759 353739651 /nfs/dbraw/zinc/73/96/51/353739651.db2.gz SLEXFAUXMWGPQQ-BXUZGUMPSA-N 0 3 320.349 1.971 20 5 DDBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H](C)C1 ZINC000346216127 283032848 /nfs/dbraw/zinc/03/28/48/283032848.db2.gz IAARIYJUMISKAV-COPLHBTASA-N 0 3 306.366 1.725 20 5 DDBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000590402426 355085513 /nfs/dbraw/zinc/08/55/13/355085513.db2.gz UCFTWWSWWZLAFS-CABCVRRESA-N 0 3 319.361 1.530 20 5 DDBDHN COc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590442693 355096567 /nfs/dbraw/zinc/09/65/67/355096567.db2.gz ACHHCXYGGZBWPW-DGCLKSJQSA-N 0 3 305.334 1.380 20 5 DDBDHN CNc1c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590443459 355097346 /nfs/dbraw/zinc/09/73/46/355097346.db2.gz KKVUJZJVTKDJAD-MFKMUULPSA-N 0 3 304.350 1.413 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)[C@@H]2C1 ZINC000590445616 355098492 /nfs/dbraw/zinc/09/84/92/355098492.db2.gz QZZRWDQHDMEHRP-BXKDBHETSA-N 0 3 319.317 1.100 20 5 DDBDHN CC(C)[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCN1 ZINC000592543768 355622723 /nfs/dbraw/zinc/62/27/23/355622723.db2.gz IRIHHNQOCQKFHC-CYBMUJFWSA-N 0 3 306.366 1.463 20 5 DDBDHN CC(C)(C(=O)N[C@H](CN)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000594450577 356220856 /nfs/dbraw/zinc/22/08/56/356220856.db2.gz FWAOYRQFHYNDGD-SNVBAGLBSA-N 0 3 319.283 1.878 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594417356 356203002 /nfs/dbraw/zinc/20/30/02/356203002.db2.gz BZDBOQOBFZCBPD-GHMZBOCLSA-N 0 3 307.354 1.075 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CCCNC1=O ZINC000595050769 356376608 /nfs/dbraw/zinc/37/66/08/356376608.db2.gz KKZPUNSTTWVBOV-GHMZBOCLSA-N 0 3 307.350 1.780 20 5 DDBDHN N[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[C@H]1F ZINC000595260587 356424006 /nfs/dbraw/zinc/42/40/06/356424006.db2.gz DXXDSWOVLZBVDP-GHMZBOCLSA-N 0 3 301.705 1.760 20 5 DDBDHN CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@H]1CCN(CC)C1 ZINC000598041418 357439732 /nfs/dbraw/zinc/43/97/32/357439732.db2.gz UIMPTOBMYCURHW-NSHDSACASA-N 0 3 309.370 1.368 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598261093 357511870 /nfs/dbraw/zinc/51/18/70/357511870.db2.gz DTTFQHYPAFHGBW-NSHDSACASA-N 0 3 323.397 1.731 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000598341800 357543875 /nfs/dbraw/zinc/54/38/75/357543875.db2.gz GJZBTRQTHPUKIN-GFCCVEGCSA-N 0 3 307.350 1.818 20 5 DDBDHN COC(=O)c1cc(C)nc(N2C[C@@H](C)N[C@@H](C)C2)c1[N+](=O)[O-] ZINC000599110681 357818490 /nfs/dbraw/zinc/81/84/90/357818490.db2.gz ZAVCPNFQOSLDHT-AOOOYVTPSA-N 0 3 308.338 1.271 20 5 DDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CCN1C1CCCC1 ZINC000599164769 357835436 /nfs/dbraw/zinc/83/54/36/357835436.db2.gz MBKZHRHWEZVVSU-NSHDSACASA-N 0 3 319.365 1.518 20 5 DDBDHN CCOC(=O)c1cc(NCCN2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000599199266 357847868 /nfs/dbraw/zinc/84/78/68/357847868.db2.gz INSCOMUYUHALKK-LBPRGKRZSA-N 0 3 323.349 1.250 20 5 DDBDHN CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CN2CCC1CC2 ZINC000347915178 283299831 /nfs/dbraw/zinc/29/98/31/283299831.db2.gz ILSZFEUHYWMQBZ-OAHLLOKOSA-N 0 3 318.377 1.559 20 5 DDBDHN O=c1[nH]cccc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600755439 358308772 /nfs/dbraw/zinc/30/87/72/358308772.db2.gz CWDPOENTTIYUOB-CYBMUJFWSA-N 0 3 319.317 1.225 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CO[C@@H](C2CC2)C1 ZINC000600759495 358309650 /nfs/dbraw/zinc/30/96/50/358309650.db2.gz ZNVKKOGIDTZNNF-WOSRLPQWSA-N 0 3 322.361 1.492 20 5 DDBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000601422098 358545067 /nfs/dbraw/zinc/54/50/67/358545067.db2.gz PJAIUCMEJCSJTK-DTWKUNHWSA-N 0 3 319.408 1.369 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](c2ccncc2)C1 ZINC000602834590 359226690 /nfs/dbraw/zinc/22/66/90/359226690.db2.gz ULJGAACBBUHLQY-AWEZNQCLSA-N 0 3 301.350 1.984 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](n3ccnn3)CC2)c1 ZINC000602888608 359272349 /nfs/dbraw/zinc/27/23/49/359272349.db2.gz OVNARVNHWWNYAF-GFCCVEGCSA-N 0 3 305.342 1.110 20 5 DDBDHN C[C@@](CO)(NCCCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000602965582 359328888 /nfs/dbraw/zinc/32/88/88/359328888.db2.gz IZJNYXFBFATKRW-INIZCTEOSA-N 0 3 321.377 1.404 20 5 DDBDHN CN1CCC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000604197986 359725763 /nfs/dbraw/zinc/72/57/63/359725763.db2.gz CSELTQMFXFPEJI-VIFPVBQESA-N 0 3 303.322 1.295 20 5 DDBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCNCC1 ZINC000237873521 202375761 /nfs/dbraw/zinc/37/57/61/202375761.db2.gz LRUZUFSTEFMIIO-UHFFFAOYSA-N 0 3 304.350 1.605 20 5 DDBDHN CO[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000189326623 200382117 /nfs/dbraw/zinc/38/21/17/200382117.db2.gz HTRFWMIFWMOBLC-WWGRRREGSA-N 0 3 324.377 1.691 20 5 DDBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000359018710 299307785 /nfs/dbraw/zinc/30/77/85/299307785.db2.gz MVIHXQXZNOQYSK-RYUDHWBXSA-N 0 3 321.381 1.796 20 5 DDBDHN O=[N+]([O-])c1cc(CNCCCN2CCCS2(=O)=O)cs1 ZINC000609223632 360274779 /nfs/dbraw/zinc/27/47/79/360274779.db2.gz UEJCYLYFCPFHDY-UHFFFAOYSA-N 0 3 319.408 1.172 20 5 DDBDHN CC[C@H](CN1CCCC1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000609833271 360354081 /nfs/dbraw/zinc/35/40/81/360354081.db2.gz FVHUSXLVXQMZAU-CYBMUJFWSA-N 0 3 321.377 1.964 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCCN(C[C@H]3CCCO3)CC2)nc1 ZINC000610489101 360449869 /nfs/dbraw/zinc/44/98/69/360449869.db2.gz AYZDOHUFMDZDOW-CQSZACIVSA-N 0 3 306.366 1.681 20 5 DDBDHN COC[C@@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610605355 360480948 /nfs/dbraw/zinc/48/09/48/360480948.db2.gz ZMHUPJLJGJBCGV-UONOGXRCSA-N 0 3 310.350 1.445 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](C(F)F)C2)c1 ZINC000611180229 360651710 /nfs/dbraw/zinc/65/17/10/360651710.db2.gz VGILWVDWTVSJCA-PWSUYJOCSA-N 0 3 316.304 1.922 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(CCCO)C1CC1 ZINC000612077640 360912238 /nfs/dbraw/zinc/91/22/38/360912238.db2.gz FYNUEMOPHGSLKS-CYBMUJFWSA-N 0 3 310.350 1.181 20 5 DDBDHN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)Cc1ccccc1 ZINC000348629744 283597805 /nfs/dbraw/zinc/59/78/05/283597805.db2.gz HYRVXZDCVBVMQU-GFCCVEGCSA-N 0 3 317.349 1.221 20 5 DDBDHN CC[C@H]1CN(C)CCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000619567163 364063648 /nfs/dbraw/zinc/06/36/48/364063648.db2.gz XVGGKCDPTSOELF-LBPRGKRZSA-N 0 3 309.370 1.124 20 5 DDBDHN Cc1ccc([C@H](C)NC(=O)[C@H](N)C2CCOCC2)cc1[N+](=O)[O-] ZINC000261884882 203144654 /nfs/dbraw/zinc/14/46/54/203144654.db2.gz UZGSTQGRRLGZJX-XHDPSFHLSA-N 0 3 321.377 1.834 20 5 DDBDHN C[C@H](Cn1cccn1)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000264887420 204240161 /nfs/dbraw/zinc/24/01/61/204240161.db2.gz SKAVQUWZVZPWHH-NEPJUHHUSA-N 0 3 317.349 1.797 20 5 DDBDHN CCN(C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264908637 204259246 /nfs/dbraw/zinc/25/92/46/204259246.db2.gz MWSPKOAWCKMYJX-UHFFFAOYSA-N 0 3 309.322 1.048 20 5 DDBDHN CCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)NC ZINC000282624195 217133146 /nfs/dbraw/zinc/13/31/46/217133146.db2.gz JEZCLMDANWSCFO-UHFFFAOYSA-N 0 3 322.365 1.381 20 5 DDBDHN Cc1nn(CCC(=O)N2CCC[C@H]2CN(C)C)c(C)c1[N+](=O)[O-] ZINC000267526718 206125290 /nfs/dbraw/zinc/12/52/90/206125290.db2.gz OJWZHZZQGAQEKC-ZDUSSCGKSA-N 0 3 323.397 1.351 20 5 DDBDHN Cc1cc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000566969828 304190527 /nfs/dbraw/zinc/19/05/27/304190527.db2.gz OXLAQKGNNJTAAG-UHFFFAOYSA-N 0 3 317.349 1.755 20 5 DDBDHN O=C1NC(=O)C2(CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000041599283 183207969 /nfs/dbraw/zinc/20/79/69/183207969.db2.gz MUBMIMMWAPJYOX-UHFFFAOYSA-N 0 3 304.306 1.609 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284408553 218015706 /nfs/dbraw/zinc/01/57/06/218015706.db2.gz NUHFCYSEFFQDDC-AMIZOPFISA-N 0 3 322.340 1.529 20 5 DDBDHN CN1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000110653647 194347565 /nfs/dbraw/zinc/34/75/65/194347565.db2.gz JZKZGFSZUZCGSZ-SECBINFHSA-N 0 3 308.294 1.185 20 5 DDBDHN CCN1CCCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000110995340 194378512 /nfs/dbraw/zinc/37/85/12/194378512.db2.gz FHJWWIJKSJLKNI-NSHDSACASA-N 0 3 324.356 1.920 20 5 DDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)NCCN1CCCCC1 ZINC000054646321 183947142 /nfs/dbraw/zinc/94/71/42/183947142.db2.gz WXCRZOSNXUQKEQ-UHFFFAOYSA-N 0 3 320.393 1.922 20 5 DDBDHN C[C@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N(C)C ZINC000294552063 224084402 /nfs/dbraw/zinc/08/44/02/224084402.db2.gz YMCXLWWXOOHVJV-SNVBAGLBSA-N 0 3 317.349 1.665 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000352802445 285311503 /nfs/dbraw/zinc/31/15/03/285311503.db2.gz DVDCZMFZFCWYNN-IAQYHMDHSA-N 0 3 321.352 1.829 20 5 DDBDHN CC(C)[C@@](C)(CO)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000352891307 285366005 /nfs/dbraw/zinc/36/60/05/285366005.db2.gz GPUDNHPTARDOOL-OAHLLOKOSA-N 0 3 309.366 1.554 20 5 DDBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000330757550 533592576 /nfs/dbraw/zinc/59/25/76/533592576.db2.gz ZQHIFQZTFIZDQO-SNVBAGLBSA-N 0 3 309.370 1.131 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CC2([NH3+])CCC2)c1[N+](=O)[O-] ZINC000440745617 292087375 /nfs/dbraw/zinc/08/73/75/292087375.db2.gz INHQYYGDGGJMQO-UHFFFAOYSA-N 0 3 313.379 1.371 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](OCCN(C)C)C1 ZINC000361047002 299795491 /nfs/dbraw/zinc/79/54/91/299795491.db2.gz UZYUOAINGCQKQE-GFCCVEGCSA-N 0 3 311.386 1.277 20 5 DDBDHN CC[C@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000007077701 406749710 /nfs/dbraw/zinc/74/97/10/406749710.db2.gz CPGSCBQEAZVNMW-JTQLQIEISA-N 0 3 301.368 1.261 20 5 DDBDHN CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cn1)N1CCN(C)CC1 ZINC000045851956 407049892 /nfs/dbraw/zinc/04/98/92/407049892.db2.gz HWRDMZWKDAJWOC-CQSZACIVSA-N 0 3 307.398 1.674 20 5 DDBDHN COc1ccc(CN[C@@H](C)CC[S@@](C)=O)cc1[N+](=O)[O-] ZINC000125570169 407392252 /nfs/dbraw/zinc/39/22/52/407392252.db2.gz BBMJNFKHTOZSKP-FVINQWEUSA-N 0 3 300.380 1.850 20 5 DDBDHN CN(C)[C@]1(CNc2ccc([N+](=O)[O-])c3nonc32)CCSC1 ZINC000267075835 407738383 /nfs/dbraw/zinc/73/83/83/407738383.db2.gz JHORKDWKCNKEGE-ZDUSSCGKSA-N 0 3 323.378 1.980 20 5 DDBDHN Cc1cc(N2CCN(C3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000267105320 407748971 /nfs/dbraw/zinc/74/89/71/407748971.db2.gz XKWHSYUVDXVQDO-UHFFFAOYSA-N 0 3 306.366 1.599 20 5 DDBDHN CNCc1cccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000237203431 407802890 /nfs/dbraw/zinc/80/28/90/407802890.db2.gz HUCAQVFTBANOIQ-UHFFFAOYSA-N 0 3 317.349 1.885 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000268102278 407889439 /nfs/dbraw/zinc/88/94/39/407889439.db2.gz FTHXKLZLDONKFT-RISCZKNCSA-N 0 3 318.377 1.877 20 5 DDBDHN CCC[C@](C)(N)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000262720941 407910269 /nfs/dbraw/zinc/91/02/69/407910269.db2.gz ZOXFJDXJUBNQLO-ABAIWWIYSA-N 0 3 321.381 1.520 20 5 DDBDHN CNC(=O)c1ccc(N(C)[C@H]2CCN(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000267599232 407848191 /nfs/dbraw/zinc/84/81/91/407848191.db2.gz JBFABSXIDMFDPH-AAEUAGOBSA-N 0 3 320.393 1.731 20 5 DDBDHN COc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000245437247 407981534 /nfs/dbraw/zinc/98/15/34/407981534.db2.gz DRDMZFMXXVAUEF-OLZOCXBDSA-N 0 3 319.361 1.912 20 5 DDBDHN CSC[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000188067358 407916737 /nfs/dbraw/zinc/91/67/37/407916737.db2.gz QANAIYGPYLXJFD-CMPLNLGQSA-N 0 3 312.395 1.200 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000268162286 407923649 /nfs/dbraw/zinc/92/36/49/407923649.db2.gz CZEFGTNBLRUUKA-RISCZKNCSA-N 0 3 303.362 1.736 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])[C@@H]2C1 ZINC000272768228 408011263 /nfs/dbraw/zinc/01/12/63/408011263.db2.gz WYWNPNRHLXLBQG-GXFFZTMASA-N 0 3 305.338 1.548 20 5 DDBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](N(C)C)C1 ZINC000245809726 408072847 /nfs/dbraw/zinc/07/28/47/408072847.db2.gz OGQIRIHORVTNAE-QWHCGFSZSA-N 0 3 320.393 1.948 20 5 DDBDHN C[C@@H](O)[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182492269 408179001 /nfs/dbraw/zinc/17/90/01/408179001.db2.gz LZPBWQMQNGGYDP-AGIUHOORSA-N 0 3 310.350 1.037 20 5 DDBDHN C[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000190425381 408243309 /nfs/dbraw/zinc/24/33/09/408243309.db2.gz YYGXMRRHQPYISJ-SGMGOOAPSA-N 0 3 310.350 1.037 20 5 DDBDHN COCCCN1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000190324261 408221778 /nfs/dbraw/zinc/22/17/78/408221778.db2.gz HTUDLWURFYREIM-UHFFFAOYSA-N 0 3 300.384 1.964 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@]3(CCOC3)C2)c1 ZINC000246739028 408330441 /nfs/dbraw/zinc/33/04/41/408330441.db2.gz AWLGLJXJMURAHC-GDBMZVCRSA-N 0 3 322.361 1.447 20 5 DDBDHN Cc1n[nH]c(C(=O)N(C)CCCn2ccnc2C)c1[N+](=O)[O-] ZINC000269591588 408354240 /nfs/dbraw/zinc/35/42/40/408354240.db2.gz JTAIZNJSCQWFPK-UHFFFAOYSA-N 0 3 306.326 1.294 20 5 DDBDHN Cc1n[n-]c(C(=O)N(C)CCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000269591588 408354245 /nfs/dbraw/zinc/35/42/45/408354245.db2.gz JTAIZNJSCQWFPK-UHFFFAOYSA-N 0 3 306.326 1.294 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@@H]2CCCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000274440132 408405606 /nfs/dbraw/zinc/40/56/06/408405606.db2.gz HGGRYSZDGGBPRP-LLVKDONJSA-N 0 3 309.370 1.239 20 5 DDBDHN Cc1[nH]nc(C(=O)N2CC[C@@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264429783 408487085 /nfs/dbraw/zinc/48/70/85/408487085.db2.gz ALKLVQKIRFZDKX-LLVKDONJSA-N 0 3 307.354 1.327 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CC[C@@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264429783 408487090 /nfs/dbraw/zinc/48/70/90/408487090.db2.gz ALKLVQKIRFZDKX-LLVKDONJSA-N 0 3 307.354 1.327 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCCN2CC)n1 ZINC000191810827 408496309 /nfs/dbraw/zinc/49/63/09/408496309.db2.gz DAIYWXXOYJGKTH-LLVKDONJSA-N 0 3 309.370 1.415 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160561220 408497185 /nfs/dbraw/zinc/49/71/85/408497185.db2.gz LJVMFHULIBKQCZ-CQSZACIVSA-N 0 3 321.377 1.480 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000247447301 408473263 /nfs/dbraw/zinc/47/32/63/408473263.db2.gz SLOBQXYPNJDLHK-PWSUYJOCSA-N 0 3 323.397 1.729 20 5 DDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000184337325 408593354 /nfs/dbraw/zinc/59/33/54/408593354.db2.gz VVLCBWAAEWLYBX-ZDUSSCGKSA-N 0 3 320.393 1.351 20 5 DDBDHN Cc1nc(N2CCN(CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000275662416 408638427 /nfs/dbraw/zinc/63/84/27/408638427.db2.gz YROLTXUWUKRUMK-NSHDSACASA-N 0 3 308.382 1.580 20 5 DDBDHN CN(C[C@H](O)COc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000290869319 408847638 /nfs/dbraw/zinc/84/76/38/408847638.db2.gz ZNTBDLSLMDJGNF-LBPRGKRZSA-N 0 3 317.345 1.977 20 5 DDBDHN COc1cc(C(=O)NC[C@H]2CCN(C)C2)cc([N+](=O)[O-])c1C ZINC000189208439 163089361 /nfs/dbraw/zinc/08/93/61/163089361.db2.gz OLVGBTGYXMZFMG-LLVKDONJSA-N 0 3 307.350 1.593 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000194743034 163296176 /nfs/dbraw/zinc/29/61/76/163296176.db2.gz IRVMIZCJAASGPA-CYBMUJFWSA-N 0 3 318.377 1.993 20 5 DDBDHN C[C@H](CN1CCOCC1)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293592131 409144588 /nfs/dbraw/zinc/14/45/88/409144588.db2.gz FMOSVVVOJTYZON-VXGBXAGGSA-N 0 3 308.382 1.548 20 5 DDBDHN CC1CCN(CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000283371534 409145248 /nfs/dbraw/zinc/14/52/48/409145248.db2.gz FCLDROOPWVUVEV-UHFFFAOYSA-N 0 3 324.356 1.778 20 5 DDBDHN COC[C@@H](NCCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000279155853 409160009 /nfs/dbraw/zinc/16/00/09/409160009.db2.gz ZHMWAYVNCCININ-OCCSQVGLSA-N 0 3 310.350 1.757 20 5 DDBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CCN(C2CC2)CC1 ZINC000279248191 409177964 /nfs/dbraw/zinc/17/79/64/409177964.db2.gz RJLLFLQCGWETPI-UHFFFAOYSA-N 0 3 322.340 1.673 20 5 DDBDHN CN(C)c1cc(F)c(C(=O)NC[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000279273771 409183055 /nfs/dbraw/zinc/18/30/55/409183055.db2.gz WOBVUHQGAKPONT-SNVBAGLBSA-N 0 3 324.356 1.481 20 5 DDBDHN COc1cc(CNCCc2cn[nH]c2)c([N+](=O)[O-])cc1OC ZINC000289450848 409275160 /nfs/dbraw/zinc/27/51/60/409275160.db2.gz BMYQVFVZUNSWNJ-UHFFFAOYSA-N 0 3 306.322 1.667 20 5 DDBDHN Cc1cc(OCC(=O)NC[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000280470163 409316750 /nfs/dbraw/zinc/31/67/50/409316750.db2.gz GKMZEDMYQVVGQO-LBPRGKRZSA-N 0 3 307.350 1.492 20 5 DDBDHN CN(CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295296577 409420127 /nfs/dbraw/zinc/42/01/27/409420127.db2.gz FCELOYXKWKECTB-CVEARBPZSA-N 0 3 305.378 1.542 20 5 DDBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000295304980 409425136 /nfs/dbraw/zinc/42/51/36/409425136.db2.gz BJENIAGMXOKGJR-LBPRGKRZSA-N 0 3 323.397 1.569 20 5 DDBDHN COc1cccc([C@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000321784103 164045397 /nfs/dbraw/zinc/04/53/97/164045397.db2.gz IWVYPYURAVWQPT-SMDDNHRTSA-N 0 3 320.349 1.512 20 5 DDBDHN CN(C)CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000356901197 409702234 /nfs/dbraw/zinc/70/22/34/409702234.db2.gz XELMKMVDDDYJHR-UHFFFAOYSA-N 0 3 307.350 1.526 20 5 DDBDHN CC(C)(CN1CCOCC1)NCc1ccc([N+](=O)[O-])cc1F ZINC000308647435 409781427 /nfs/dbraw/zinc/78/14/27/409781427.db2.gz LPURWZDMRQFGRK-UHFFFAOYSA-N 0 3 311.357 1.934 20 5 DDBDHN C[C@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000320717986 409906817 /nfs/dbraw/zinc/90/68/17/409906817.db2.gz VIUGNXFYXFWDCM-YUMQZZPRSA-N 0 3 321.786 1.652 20 5 DDBDHN COC(=O)[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000346609486 410036589 /nfs/dbraw/zinc/03/65/89/410036589.db2.gz CZPGRZWINQMHCX-SMDDNHRTSA-N 0 3 308.334 1.857 20 5 DDBDHN Cc1n[nH]c(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000354665353 410003526 /nfs/dbraw/zinc/00/35/26/410003526.db2.gz QLWMGJWPHVGUCC-VHSXEESVSA-N 0 3 309.370 1.619 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN(C)C1CCN(CCO)CC1 ZINC000357653927 410163742 /nfs/dbraw/zinc/16/37/42/410163742.db2.gz XXEFDNZOHBHCAG-UHFFFAOYSA-N 0 3 323.393 1.492 20 5 DDBDHN C[C@@H]1CCNC(=O)[C@H]1NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298551625 410286756 /nfs/dbraw/zinc/28/67/56/410286756.db2.gz OFMXMHAFWFRBID-YGRLFVJLSA-N 0 3 320.349 1.038 20 5 DDBDHN CCC[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)N(C)C ZINC000332741560 410248693 /nfs/dbraw/zinc/24/86/93/410248693.db2.gz ZMPSBEOUCMCUJD-AWEZNQCLSA-N 0 3 306.366 1.605 20 5 DDBDHN C[C@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000351774893 410224641 /nfs/dbraw/zinc/22/46/41/410224641.db2.gz PGFPHEDEWSVUPT-GWCFXTLKSA-N 0 3 321.333 1.205 20 5 DDBDHN COc1cc([C@@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)ccn1 ZINC000347539137 410604471 /nfs/dbraw/zinc/60/44/71/410604471.db2.gz LVKPVYFWUXTXKL-LLVKDONJSA-N 0 3 318.333 1.511 20 5 DDBDHN CCN1CCN([C@@H](C)CNc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000301520627 410736788 /nfs/dbraw/zinc/73/67/88/410736788.db2.gz LCYIEINDNXJBOA-ZDUSSCGKSA-N 0 3 307.398 1.736 20 5 DDBDHN C[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000330649745 410851635 /nfs/dbraw/zinc/85/16/35/410851635.db2.gz JELPDOFQFIXSMW-OSAQELSMSA-N 0 3 310.350 1.037 20 5 DDBDHN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1CCO ZINC000419336576 226122005 /nfs/dbraw/zinc/12/20/05/226122005.db2.gz XHRUDGNGMWGPDC-ZIAGYGMSSA-N 0 3 307.394 1.524 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(C)[C@@H](C)C1 ZINC000361075668 418578567 /nfs/dbraw/zinc/57/85/67/418578567.db2.gz CQBZEACTWVTGIC-QWRGUYRKSA-N 0 3 306.366 1.849 20 5 DDBDHN C[C@@H]1CN(CCCCNc2ccncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000361073600 418577800 /nfs/dbraw/zinc/57/78/00/418577800.db2.gz LTLZZBJOFALYQU-BETUJISGSA-N 0 3 308.382 1.713 20 5 DDBDHN C[C@@H]1CCOCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000374992225 418586103 /nfs/dbraw/zinc/58/61/03/418586103.db2.gz WLEHDDKDNVWDMB-OCCSQVGLSA-N 0 3 310.350 1.445 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@H]3CCN(C)[C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000375037019 418593269 /nfs/dbraw/zinc/59/32/69/418593269.db2.gz HXURXPBZETUEKB-RISCZKNCSA-N 0 3 318.377 1.652 20 5 DDBDHN N=C(NO)[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000367464334 418600209 /nfs/dbraw/zinc/60/02/09/418600209.db2.gz RRLZOPUUCNPULD-LLVKDONJSA-N 0 3 323.309 1.814 20 5 DDBDHN C[C@@H]1CN(C)C[C@H]1c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000361262700 418614345 /nfs/dbraw/zinc/61/43/45/418614345.db2.gz OOIHAIMKVUPMRK-BXKDBHETSA-N 0 3 303.322 1.629 20 5 DDBDHN CCO[C@H]1COCC[C@@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000362019184 418739897 /nfs/dbraw/zinc/73/98/97/418739897.db2.gz UPROJUMDANSDQS-GJZGRUSLSA-N 0 3 310.350 1.757 20 5 DDBDHN CN1CCC(n2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)CC1 ZINC000373236385 418932770 /nfs/dbraw/zinc/93/27/70/418932770.db2.gz IEKIOQHHQRCAIQ-UHFFFAOYSA-N 0 3 319.321 1.903 20 5 DDBDHN CN(C)C(=O)[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000411935958 419505268 /nfs/dbraw/zinc/50/52/68/419505268.db2.gz LHEFNKSCPDQNGN-LBPRGKRZSA-N 0 3 307.350 1.384 20 5 DDBDHN CN1CCNC[C@@H]1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423517857 420068676 /nfs/dbraw/zinc/06/86/76/420068676.db2.gz OJFZKFMBVPZIDI-GDBMZVCRSA-N 0 3 304.394 1.465 20 5 DDBDHN COc1ccc(NC(=O)N2C[C@@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000415447881 420070863 /nfs/dbraw/zinc/07/08/63/420070863.db2.gz URDQMEWZWQIGLN-NXEZZACHSA-N 0 3 308.338 1.818 20 5 DDBDHN O=C(C[C@@H]1CSCCN1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423729706 420146638 /nfs/dbraw/zinc/14/66/38/420146638.db2.gz VEILOLQRVGAHBK-MRVPVSSYSA-N 0 3 321.362 1.505 20 5 DDBDHN CCc1ccccc1[C@@H](N)CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000423970860 420287770 /nfs/dbraw/zinc/28/77/70/420287770.db2.gz GLSNAHYNLQCAKS-AWEZNQCLSA-N 0 3 317.349 1.170 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](N)Cc3ccccc32)n1 ZINC000424082554 420311229 /nfs/dbraw/zinc/31/12/29/420311229.db2.gz WGNMQYCGCYZSPF-NSHDSACASA-N 0 3 315.333 1.341 20 5 DDBDHN C[C@H](O)[C@H]1C[C@H](C)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000443349074 230006839 /nfs/dbraw/zinc/00/68/39/230006839.db2.gz SYPVCIUBNNRCJE-MBNYWOFBSA-N 0 3 309.366 1.238 20 5 DDBDHN CC(C)N1CC[C@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000457103534 420615244 /nfs/dbraw/zinc/61/52/44/420615244.db2.gz BCCOXQFXPYEDAL-AWEZNQCLSA-N 0 3 321.377 1.915 20 5 DDBDHN C[C@H](CO)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000447685986 420793820 /nfs/dbraw/zinc/79/38/20/420793820.db2.gz OGRWHYLGZOVMER-LLVKDONJSA-N 0 3 319.365 1.364 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](CO)c1cnn(C)c1 ZINC000449210897 420970790 /nfs/dbraw/zinc/97/07/90/420970790.db2.gz SGUPBGCLYVUFAC-BXUZGUMPSA-N 0 3 304.350 1.583 20 5 DDBDHN COCCN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000490065427 421188077 /nfs/dbraw/zinc/18/80/77/421188077.db2.gz WHLRLPIYPYEFKF-AWEZNQCLSA-N 0 3 310.350 1.711 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCCN1CCCO ZINC000450601295 421215934 /nfs/dbraw/zinc/21/59/34/421215934.db2.gz YITFPXLKQQLBSD-GFCCVEGCSA-N 0 3 311.386 1.378 20 5 DDBDHN CN(C)CCN(Cc1cccs1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548420398 421437402 /nfs/dbraw/zinc/43/74/02/421437402.db2.gz WYAWJVFUYMZYFE-UHFFFAOYSA-N 0 3 323.378 1.583 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000552025165 421568618 /nfs/dbraw/zinc/56/86/18/421568618.db2.gz AXZWYEMCUUINEL-MRXNPFEDSA-N 0 3 319.361 1.090 20 5 DDBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000556321746 421708309 /nfs/dbraw/zinc/70/83/09/421708309.db2.gz HARCNJZARQDTRO-JBLDHEPKSA-N 0 3 307.354 1.120 20 5 DDBDHN Cc1c(CC(=O)NCCN2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000533497594 421676115 /nfs/dbraw/zinc/67/61/15/421676115.db2.gz ZJUCRESSNMQLHR-LBPRGKRZSA-N 0 3 305.378 1.904 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000519885105 421735966 /nfs/dbraw/zinc/73/59/66/421735966.db2.gz ITJKXTHPQUZCLT-UHFFFAOYSA-N 0 3 308.382 1.880 20 5 DDBDHN NC[C@@H]1c2ccccc2CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000573610661 421987667 /nfs/dbraw/zinc/98/76/67/421987667.db2.gz LNACTNFBKCCLNN-GFCCVEGCSA-N 0 3 301.306 1.016 20 5 DDBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000574051879 422055853 /nfs/dbraw/zinc/05/58/53/422055853.db2.gz NSCRPIYAVYLYDA-JTQLQIEISA-N 0 3 321.381 1.374 20 5 DDBDHN CCS(=O)(=O)C[C@@H](C)NCCc1cccc([N+](=O)[O-])c1 ZINC000341907273 271243875 /nfs/dbraw/zinc/24/38/75/271243875.db2.gz NJLYVQWNQGJHNC-LLVKDONJSA-N 0 3 300.380 1.550 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CCCS(=O)(=O)C1 ZINC000342193211 271335179 /nfs/dbraw/zinc/33/51/79/271335179.db2.gz CQEMXGSMNTXFQZ-LBPRGKRZSA-N 0 3 312.391 1.818 20 5 DDBDHN Cc1nn(C)c(C(=O)NC[C@@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344662750 272084393 /nfs/dbraw/zinc/08/43/93/272084393.db2.gz KMIQUOGEVOWQRU-NSHDSACASA-N 0 3 323.397 1.487 20 5 DDBDHN COCCN(C)CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296580003 277212978 /nfs/dbraw/zinc/21/29/78/277212978.db2.gz IBLYQISFLGZYIM-LBPRGKRZSA-N 0 3 324.381 1.533 20 5 DDBDHN CCOc1cc(N2CCCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000107040023 281054458 /nfs/dbraw/zinc/05/44/58/281054458.db2.gz IZRBAOLDRRYXJH-UHFFFAOYSA-N 0 3 309.366 1.498 20 5 DDBDHN CCN(CC)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000133873683 281517856 /nfs/dbraw/zinc/51/78/56/281517856.db2.gz UEYACDWJDZIMDN-UHFFFAOYSA-N 0 3 315.395 1.356 20 5 DDBDHN COCCCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000364251637 300362892 /nfs/dbraw/zinc/36/28/92/300362892.db2.gz KXEWCCWWLRBPFQ-UHFFFAOYSA-N 0 3 321.377 1.779 20 5 DDBDHN Cn1cc(C[C@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C2)cn1 ZINC000368405797 301020543 /nfs/dbraw/zinc/02/05/43/301020543.db2.gz VVLRTGSQJOVRCB-GFCCVEGCSA-N 0 3 304.354 1.089 20 5 DDBDHN CN1CCC(N2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC000369279146 301155730 /nfs/dbraw/zinc/15/57/30/301155730.db2.gz VVTKLTZKVHROOT-NSHDSACASA-N 0 3 322.365 1.086 20 5 DDBDHN Cc1nc(C)n(C[C@@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000369996093 301254722 /nfs/dbraw/zinc/25/47/22/301254722.db2.gz LQJCOBRTKQXBAW-ZDUSSCGKSA-N 0 3 319.369 1.164 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000531804456 303257864 /nfs/dbraw/zinc/25/78/64/303257864.db2.gz ZPGCKLGGYGKRCB-ABAIWWIYSA-N 0 3 318.377 1.877 20 5 DDBDHN CC[C@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532144533 303277094 /nfs/dbraw/zinc/27/70/94/303277094.db2.gz DVOVTOPTIUOTAF-LBPRGKRZSA-N 0 3 306.366 1.984 20 5 DDBDHN CC(C)n1cc([C@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000544469410 303472636 /nfs/dbraw/zinc/47/26/36/303472636.db2.gz RTQZRYZBVFWPGC-SMDDNHRTSA-N 0 3 322.369 1.280 20 5 DDBDHN COCC1(NCc2ccc(OC)c([N+](=O)[O-])c2)CCOCC1 ZINC000552082925 303652945 /nfs/dbraw/zinc/65/29/45/303652945.db2.gz JVQQNMJYPKUUKW-UHFFFAOYSA-N 0 3 310.350 1.889 20 5 DDBDHN O=C(CCNCCNC(=O)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000561575901 303845088 /nfs/dbraw/zinc/84/50/88/303845088.db2.gz DQGKLTNEYZAZGO-UHFFFAOYSA-N 0 3 320.349 1.039 20 5 DDBDHN CNC(=O)C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000361635019 307001974 /nfs/dbraw/zinc/00/19/74/307001974.db2.gz CWUCKICLNIAEGB-ZDUSSCGKSA-N 0 3 317.349 1.258 20 5 DDBDHN COc1ccc(OCCN2C[C@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000362086967 307013702 /nfs/dbraw/zinc/01/37/02/307013702.db2.gz LFXAKBUVMMJIAF-RYUDHWBXSA-N 0 3 310.350 1.542 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000376663595 307252401 /nfs/dbraw/zinc/25/24/01/307252401.db2.gz LJGVZJBHDXMSEJ-ZYHUDNBSSA-N 0 3 320.349 1.170 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000376663595 307252402 /nfs/dbraw/zinc/25/24/02/307252402.db2.gz LJGVZJBHDXMSEJ-ZYHUDNBSSA-N 0 3 320.349 1.170 20 5 DDBDHN CC(C)O[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000564915082 308011888 /nfs/dbraw/zinc/01/18/88/308011888.db2.gz AUPUACRPYZFQNR-ZIAGYGMSSA-N 0 3 324.377 1.834 20 5 DDBDHN Cc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1F ZINC000573165984 308230877 /nfs/dbraw/zinc/23/08/77/308230877.db2.gz LYNVOMNKQCAOLP-CYBMUJFWSA-N 0 3 308.313 1.390 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCOC(F)(F)F)c1 ZINC000576816944 308341530 /nfs/dbraw/zinc/34/15/30/308341530.db2.gz QISSUKIHKMNQIQ-SNVBAGLBSA-N 0 3 324.255 1.461 20 5 DDBDHN CC(=O)N1CC(N[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000583703534 337092269 /nfs/dbraw/zinc/09/22/69/337092269.db2.gz AKJOPORSDRFWTR-CHWSQXEVSA-N 0 3 307.354 1.095 20 5 DDBDHN COC(=O)CC1(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000583148448 337246157 /nfs/dbraw/zinc/24/61/57/337246157.db2.gz BPWVOLOZTIFAQM-GFCCVEGCSA-N 0 3 324.333 1.020 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000157291517 527311640 /nfs/dbraw/zinc/31/16/40/527311640.db2.gz RWEKLBAYMSAYKS-IUODEOHRSA-N 0 3 318.377 1.855 20 5 DDBDHN C[NH+](C)C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736757935 598828766 /nfs/dbraw/zinc/82/87/66/598828766.db2.gz AFIRKDJWFGLINT-JTQLQIEISA-N 0 3 317.353 1.163 20 5 DDBDHN C[NH+](C)C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736757935 598828768 /nfs/dbraw/zinc/82/87/68/598828768.db2.gz AFIRKDJWFGLINT-JTQLQIEISA-N 0 3 317.353 1.163 20 5 DDBDHN Cc1c(C(=O)NC[C@@H]2CCCN2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194732183 697719423 /nfs/dbraw/zinc/71/94/23/697719423.db2.gz CLNXPGZDNJNLDV-JTQLQIEISA-N 0 3 322.321 1.635 20 5 DDBDHN COC(=O)CC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278784 698091172 /nfs/dbraw/zinc/09/11/72/698091172.db2.gz VSIZGWYBGXYKOC-OAHLLOKOSA-N 0 3 322.361 1.903 20 5 DDBDHN COCCN1CCC[C@H](Nc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000729987786 699496871 /nfs/dbraw/zinc/49/68/71/699496871.db2.gz ROEIRYFZLVWMFL-LBPRGKRZSA-N 0 3 319.365 1.765 20 5 DDBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCN1CCCCC1 ZINC000791328841 699623750 /nfs/dbraw/zinc/62/37/50/699623750.db2.gz XLRSNPVFXQPGFG-UHFFFAOYSA-N 0 3 310.329 1.532 20 5 DDBDHN Cc1ccc(CNS(=O)(=O)CCCN(C)C)cc1[N+](=O)[O-] ZINC000867785232 701748912 /nfs/dbraw/zinc/74/89/12/701748912.db2.gz LRDLWFBCNOGZEK-UHFFFAOYSA-N 0 3 315.395 1.274 20 5 DDBDHN CN1CCN(C2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)CC1 ZINC000866214137 706651115 /nfs/dbraw/zinc/65/11/15/706651115.db2.gz KAVRIHOONZECGJ-UHFFFAOYSA-N 0 3 322.384 1.950 20 5 DDBDHN CC(COC(=O)c1ccc(=O)n(-c2cccc(F)c2)c1)[N+](=O)[O-] ZINC000813102502 702291128 /nfs/dbraw/zinc/29/11/28/702291128.db2.gz GTUNMSRIMSGKEM-JTQLQIEISA-N 0 3 320.276 1.799 20 5 DDBDHN COc1cc(CC(=O)OCC(C)[N+](=O)[O-])cc(OC)c1OC ZINC000813103407 702292222 /nfs/dbraw/zinc/29/22/22/702292222.db2.gz PXIBPGCGKUNVDJ-SECBINFHSA-N 0 3 313.306 1.463 20 5 DDBDHN CC(COC(=O)c1ccc(F)c(S(C)(=O)=O)c1)[N+](=O)[O-] ZINC000813107540 702294220 /nfs/dbraw/zinc/29/42/20/702294220.db2.gz SKLXLIVJXFLFFM-ZETCQYMHSA-N 0 3 305.283 1.051 20 5 DDBDHN Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)OCC(C)[N+](=O)[O-])C2=O ZINC000813112688 702298170 /nfs/dbraw/zinc/29/81/70/702298170.db2.gz SWVOWGQVEAKNOX-ZJUUUORDSA-N 0 3 320.301 1.188 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866540344 706724498 /nfs/dbraw/zinc/72/44/98/706724498.db2.gz LYAKAWKTDUMUGS-YGRLFVJLSA-N 0 3 321.352 1.875 20 5 DDBDHN O=C1O[C@@H](CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000848679183 703574883 /nfs/dbraw/zinc/57/48/83/703574883.db2.gz RQCCGPHNZPBXML-UONOGXRCSA-N 0 3 321.333 1.201 20 5 DDBDHN C[C@@H]1C[C@@H]1N1C[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000819123035 704072522 /nfs/dbraw/zinc/07/25/22/704072522.db2.gz SLFJPZLAWGPPRF-UEEZHKSASA-N 0 3 319.361 1.227 20 5 DDBDHN CN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCC1(C)C ZINC000871152834 704231725 /nfs/dbraw/zinc/23/17/25/704231725.db2.gz UTLSXFHWJRVWIZ-UHFFFAOYSA-N 0 3 324.356 1.872 20 5 DDBDHN Cc1cc(NCCOC(=O)N(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000853826010 704322149 /nfs/dbraw/zinc/32/21/49/704322149.db2.gz NURJZXLRUBGYMM-UHFFFAOYSA-N 0 3 318.333 1.983 20 5 DDBDHN CCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000855485766 704487271 /nfs/dbraw/zinc/48/72/71/704487271.db2.gz HDAFOBVEPBZZAU-HUUCEWRRSA-N 0 3 321.377 1.571 20 5 DDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000874850681 705203224 /nfs/dbraw/zinc/20/32/24/705203224.db2.gz VUUDOEHAABRUPN-HUUCEWRRSA-N 0 3 303.362 1.832 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](c2nccn2C)C1 ZINC000878518885 706414525 /nfs/dbraw/zinc/41/45/25/706414525.db2.gz VBSMKYTXPBZVOR-CYBMUJFWSA-N 0 3 318.381 1.713 20 5 DDBDHN COc1cc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c([N+](=O)[O-])cc1[O-] ZINC000865691536 706497984 /nfs/dbraw/zinc/49/79/84/706497984.db2.gz BNJKIPJPABTPAJ-PJCPWUFQSA-N 0 3 320.345 1.822 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC3(CC2)COCCO3)cc1 ZINC000880545540 707012099 /nfs/dbraw/zinc/01/20/99/707012099.db2.gz DQERERNQVCCAHK-HNNXBMFYSA-N 0 3 322.361 1.510 20 5 DDBDHN CC(COC(=O)Cc1ccccc1O[C@H]1CCOC1)[N+](=O)[O-] ZINC000835453797 707255415 /nfs/dbraw/zinc/25/54/15/707255415.db2.gz GPLWEZIAVBEZGY-AAEUAGOBSA-N 0 3 309.318 1.605 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccnc(F)c2)c1 ZINC000872223586 707336637 /nfs/dbraw/zinc/33/66/37/707336637.db2.gz UMBQYCBRTZEDCI-CYBMUJFWSA-N 0 3 321.308 1.658 20 5 DDBDHN Cn1nccc1[C@@H](O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000927133460 712945755 /nfs/dbraw/zinc/94/57/55/712945755.db2.gz YWJXCQRRHRXNMR-DOMZBBRYSA-N 0 3 302.334 1.639 20 5 DDBDHN CN(CCO)CCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000884824695 708388152 /nfs/dbraw/zinc/38/81/52/708388152.db2.gz IKPUJXGTXCZUOG-UHFFFAOYSA-N 0 3 318.171 1.693 20 5 DDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)CCN(C)CCO ZINC000912598582 713041867 /nfs/dbraw/zinc/04/18/67/713041867.db2.gz HFUOJWITXWUHSM-UHFFFAOYSA-N 0 3 313.329 1.038 20 5 DDBDHN C/C(=C\C(=O)N(C)CCN(C)CCO)c1ccc([N+](=O)[O-])cc1 ZINC000912605267 713045291 /nfs/dbraw/zinc/04/52/91/713045291.db2.gz LBKRBOFWQWUPJC-OUKQBFOZSA-N 0 3 321.377 1.381 20 5 DDBDHN COc1c(O)ccc(CN2CCN(C)CC2(C)C)c1[N+](=O)[O-] ZINC000892056067 710362378 /nfs/dbraw/zinc/36/23/78/710362378.db2.gz NPVQCJORULDFNV-UHFFFAOYSA-N 0 3 309.366 1.835 20 5 DDBDHN COc1ccc(C(=O)N[C@]2(C)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000892800264 710502276 /nfs/dbraw/zinc/50/22/76/710502276.db2.gz NMGFYFPQXJRYDL-MRXNPFEDSA-N 0 3 319.361 1.818 20 5 DDBDHN CC(COC(=O)Cc1ccccc1N1CCCC1=O)[N+](=O)[O-] ZINC000893044377 710546165 /nfs/dbraw/zinc/54/61/65/710546165.db2.gz HXYIHYGNRAWGHK-NSHDSACASA-N 0 3 306.318 1.564 20 5 DDBDHN COc1c([O-])ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000894082801 710957577 /nfs/dbraw/zinc/95/75/77/710957577.db2.gz IJMZSSJXXBZCNA-TXEJJXNPSA-N 0 3 307.350 1.302 20 5 DDBDHN COc1c([O-])ccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000894082801 710957583 /nfs/dbraw/zinc/95/75/83/710957583.db2.gz IJMZSSJXXBZCNA-TXEJJXNPSA-N 0 3 307.350 1.302 20 5 DDBDHN COC(C)(C)[C@@H](C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000932368743 714318839 /nfs/dbraw/zinc/31/88/39/714318839.db2.gz AJGLSZNLLFCQHD-LLVKDONJSA-N 0 3 321.377 1.887 20 5 DDBDHN Cc1ccc(CNC(=O)N[C@@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000923910120 714488248 /nfs/dbraw/zinc/48/82/48/714488248.db2.gz JLDIKBRDZCQZHY-DGCLKSJQSA-N 0 3 306.366 1.795 20 5 DDBDHN C[C@H](c1ccc([N+](=O)[O-])cc1)N1C(=O)N[C@H](CN(C)C)C1=O ZINC000925198596 714773748 /nfs/dbraw/zinc/77/37/48/714773748.db2.gz VTEBIXBOFNECRJ-BXKDBHETSA-N 0 3 306.322 1.138 20 5 DDBDHN Cc1cccnc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125424419 733290068 /nfs/dbraw/zinc/29/00/68/733290068.db2.gz HJLBTRWEOLJTET-UHFFFAOYSA-N 0 3 314.345 1.818 20 5 DDBDHN COc1cc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc([N+](=O)[O-])c1C ZINC001129186402 751564730 /nfs/dbraw/zinc/56/47/30/751564730.db2.gz WNAXXCHLRWVNTJ-RISCZKNCSA-N 0 3 319.361 1.688 20 5 DDBDHN Cc1cccc(CCCN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001030292354 744025216 /nfs/dbraw/zinc/02/52/16/744025216.db2.gz DWTVWQLEYRQLQR-HZPDHXFCSA-N 0 3 317.389 1.393 20 5 DDBDHN Cc1ccc(CCCN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001030292386 744025723 /nfs/dbraw/zinc/02/57/23/744025723.db2.gz FNQUKDSROSZOCG-HZPDHXFCSA-N 0 3 317.389 1.393 20 5 DDBDHN COc1ccnc(N2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169053538 762208224 /nfs/dbraw/zinc/20/82/24/762208224.db2.gz IKMCHHXCOISOHQ-KGLIPLIRSA-N 0 3 320.393 1.658 20 5 DDBDHN Cc1ocnc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001155324236 761047717 /nfs/dbraw/zinc/04/77/17/761047717.db2.gz LQXZJGHENOBHHW-UHFFFAOYSA-N 0 3 324.362 1.862 20 5 DDBDHN Cc1cnn(C)c1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001132548598 768974959 /nfs/dbraw/zinc/97/49/59/768974959.db2.gz PDUNPLOKMWTWLZ-UHFFFAOYSA-N 0 3 317.349 1.156 20 5 DDBDHN CCN(C)C(C)(C)C(=O)NCCNc1ncc(C)cc1[N+](=O)[O-] ZINC001093952873 775260414 /nfs/dbraw/zinc/26/04/14/775260414.db2.gz OXWPLZJAVZTEST-UHFFFAOYSA-N 0 3 323.397 1.557 20 5 DDBDHN Cc1nocc1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001266824570 836889068 /nfs/dbraw/zinc/88/90/68/836889068.db2.gz IZISLAFDKAIPBR-UHFFFAOYSA-N 0 3 318.333 1.753 20 5 DDBDHN Cc1occc1C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001154474970 861131622 /nfs/dbraw/zinc/13/16/22/861131622.db2.gz VPWOZWCSRQWZJP-UHFFFAOYSA-N 0 3 321.337 1.139 20 5 DDBDHN C[C@H](Nc1ccc2ccc([N+](=O)[O-])cc2n1)[C@H]1CNCCO1 ZINC001159499812 865354367 /nfs/dbraw/zinc/35/43/67/865354367.db2.gz VRFXRLTYBSYQKR-IINYFYTJSA-N 0 3 302.334 1.932 20 5 DDBDHN C[C@H](Nc1ccc2c(cccc2[N+](=O)[O-])n1)[C@@H]1CNCCO1 ZINC001159500677 865356886 /nfs/dbraw/zinc/35/68/86/865356886.db2.gz XBXPAYNVFKJOAW-HZMBPMFUSA-N 0 3 302.334 1.932 20 5 DDBDHN C[NH+](C)[C@@H]1CC[C@@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@@H]2C1 ZINC001333874919 867101274 /nfs/dbraw/zinc/10/12/74/867101274.db2.gz DCHXNAOIEJINDD-GRYCIOLGSA-N 0 3 306.366 1.862 20 5 DDBDHN C[C@@H](N)c1nc2ccccc2n1-c1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001162760353 867802477 /nfs/dbraw/zinc/80/24/77/867802477.db2.gz ZLWWUQZAQUUFGU-MRVPVSSYSA-N 0 3 317.280 1.726 20 5 DDBDHN O=[N+]([O-])c1cc(N[C@@H]2CNCc3ccsc32)cn2cnnc12 ZINC001163230581 868235326 /nfs/dbraw/zinc/23/53/26/868235326.db2.gz PQFITEVRKBPSBX-SNVBAGLBSA-N 0 3 316.346 1.955 20 5 DDBDHN COc1ccc(N[C@H]2CCCC[C@@]23CNCCO3)nc1[N+](=O)[O-] ZINC001163645814 868588481 /nfs/dbraw/zinc/58/84/81/868588481.db2.gz FECFBNKYOFLLIE-SWLSCSKDSA-N 0 3 322.365 1.712 20 5 DDBDHN COCCN1CCC(Oc2ccc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC001226167386 882242305 /nfs/dbraw/zinc/24/23/05/882242305.db2.gz IPRUAGYNQDQZDU-UHFFFAOYSA-N 0 3 323.349 1.183 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])C1(CF)CC1 ZINC001166354731 869965755 /nfs/dbraw/zinc/96/57/55/869965755.db2.gz GDYFLEUEJPWMRC-UHFFFAOYSA-N 0 3 309.341 1.940 20 5 DDBDHN COc1cc(C(=O)NC[C@@H]2CCCCN2C)ccc1[N+](=O)[O-] ZINC001339266726 870429703 /nfs/dbraw/zinc/42/97/03/870429703.db2.gz VXWKGQCZUCTSJX-LBPRGKRZSA-N 0 3 307.350 1.818 20 5 DDBDHN COC(=O)c1cc(OC2CCN(C)CC2)c(OC)cc1[N+](=O)[O-] ZINC001226441026 882433851 /nfs/dbraw/zinc/43/38/51/882433851.db2.gz LARAVXPVJPHDBZ-UHFFFAOYSA-N 0 3 324.333 1.863 20 5 DDBDHN COc1ccc(COCCN2CC[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC001223515020 880986945 /nfs/dbraw/zinc/98/69/45/880986945.db2.gz CGUQSKOEGZKNJA-CQSZACIVSA-N 0 3 310.350 1.841 20 5 DDBDHN CN(C)C(=O)CN(C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254478461 896456433 /nfs/dbraw/zinc/45/64/33/896456433.db2.gz DZWVOSJIQQPZSD-UHFFFAOYSA-N 0 3 320.393 1.584 20 5 DDBDHN CN(C)C1CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254475718 896456835 /nfs/dbraw/zinc/45/68/35/896456835.db2.gz ILYMBNICETVOSE-UHFFFAOYSA-N 0 3 304.394 1.809 20 5 DDBDHN O=C(NC[C@H]1CCCN1CCCO)c1ccccc1[N+](=O)[O-] ZINC000452347341 231356046 /nfs/dbraw/zinc/35/60/46/231356046.db2.gz IJRNFIFWSIMFQX-GFCCVEGCSA-N 0 3 307.350 1.171 20 5 DDBDHN COC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000181573266 199319668 /nfs/dbraw/zinc/31/96/68/199319668.db2.gz WQOPRHBAVHMJKB-AWEZNQCLSA-N 0 3 307.350 1.856 20 5 DDBDHN CC[C@@]1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCOC1 ZINC000616865325 362852221 /nfs/dbraw/zinc/85/22/21/362852221.db2.gz KMDUWDJNUYAMFT-OAHLLOKOSA-N 0 3 323.349 1.701 20 5 DDBDHN C[C@@H](CN1CCCCC1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000027767083 352222322 /nfs/dbraw/zinc/22/23/22/352222322.db2.gz MVIRACPFGBLFOJ-ZDUSSCGKSA-N 0 3 321.377 1.964 20 5 DDBDHN COCCN(C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000042310029 352333601 /nfs/dbraw/zinc/33/36/01/352333601.db2.gz ITJQBGPHMNDZQD-UHFFFAOYSA-N 0 3 310.354 1.685 20 5 DDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC1CCN(C2CC2)CC1 ZINC000173007202 198176768 /nfs/dbraw/zinc/17/67/68/198176768.db2.gz WFGSZTSQQFXXNX-UHFFFAOYSA-N 0 3 303.362 1.880 20 5 DDBDHN CN(CCN1CCCC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000074763727 353328810 /nfs/dbraw/zinc/32/88/10/353328810.db2.gz UYZLYUJEGCXWME-UHFFFAOYSA-N 0 3 320.393 1.875 20 5 DDBDHN CCc1nn(C)c(N2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000094132539 353910492 /nfs/dbraw/zinc/91/04/92/353910492.db2.gz MEQYGOWWURQQGL-UHFFFAOYSA-N 0 3 316.365 1.612 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](CO)CC1 ZINC000293056331 354453123 /nfs/dbraw/zinc/45/31/23/354453123.db2.gz IFHQJXOLRKTUPR-ZIAGYGMSSA-N 0 3 324.377 1.429 20 5 DDBDHN CCc1ccccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000315559217 354495273 /nfs/dbraw/zinc/49/52/73/354495273.db2.gz COAULEMDSYUSGT-HNNXBMFYSA-N 0 3 304.350 1.504 20 5 DDBDHN COc1ccc(OCCN2CC[C@@H]3CN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000590010309 355039131 /nfs/dbraw/zinc/03/91/31/355039131.db2.gz AUZNHXZRCRARHM-IUODEOHRSA-N 0 3 321.377 1.618 20 5 DDBDHN CCOc1cc(CN[C@](C)(CCO)COC)ccc1[N+](=O)[O-] ZINC000276976236 213214782 /nfs/dbraw/zinc/21/47/82/213214782.db2.gz XUZYFNISZTZGLD-OAHLLOKOSA-N 0 3 312.366 1.871 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000590443743 355097238 /nfs/dbraw/zinc/09/72/38/355097238.db2.gz GYHRDEWGBRZYHY-GXFFZTMASA-N 0 3 305.334 1.380 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590446349 355099215 /nfs/dbraw/zinc/09/92/15/355099215.db2.gz UTPAZNMRFOSNOL-BXUZGUMPSA-N 0 3 321.402 1.849 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000590446506 355099582 /nfs/dbraw/zinc/09/95/82/355099582.db2.gz VZFCVKRQXNRXCN-ZWNOBZJWSA-N 0 3 305.334 1.380 20 5 DDBDHN O=C(NCCN1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000591423288 355307317 /nfs/dbraw/zinc/30/73/17/355307317.db2.gz HHSUUYLHKVFWCM-UHFFFAOYSA-N 0 3 307.306 1.149 20 5 DDBDHN CCCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@@H]1CCN(C)C1 ZINC000592831709 355707239 /nfs/dbraw/zinc/70/72/39/355707239.db2.gz NVTPHJANTDJFSQ-GFCCVEGCSA-N 0 3 309.370 1.042 20 5 DDBDHN C[C@@H](O)CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594063571 356103373 /nfs/dbraw/zinc/10/33/73/356103373.db2.gz IGXQALUFLNGGLL-YPMHNXCESA-N 0 3 310.350 1.180 20 5 DDBDHN CCOc1ccc(C(=O)N[C@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594451245 356221789 /nfs/dbraw/zinc/22/17/89/356221789.db2.gz GJRLCFPUSDJAGP-SNVBAGLBSA-N 0 3 321.255 1.613 20 5 DDBDHN NC[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000594451007 356221960 /nfs/dbraw/zinc/22/19/60/356221960.db2.gz BADXGXNJNRDOAT-QMMMGPOBSA-N 0 3 317.227 1.091 20 5 DDBDHN C[C@@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)C1(CO)CC1 ZINC000594967891 356366111 /nfs/dbraw/zinc/36/61/11/356366111.db2.gz AGEWQASENKYPPZ-SNVBAGLBSA-N 0 3 308.334 1.617 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CC[C@@H](CO)O1 ZINC000595038854 356375085 /nfs/dbraw/zinc/37/50/85/356375085.db2.gz PFXIALWRYMCNAT-UHTWSYAYSA-N 0 3 310.350 1.794 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1(CC(N)=O)CC1 ZINC000595043565 356376129 /nfs/dbraw/zinc/37/61/29/356376129.db2.gz IGDWEXYOXJVREE-SNVBAGLBSA-N 0 3 307.350 1.910 20 5 DDBDHN CC(=O)N1CC(N[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000565215660 304054336 /nfs/dbraw/zinc/05/43/36/304054336.db2.gz CCKCOOOJLALNAD-SNVBAGLBSA-N 0 3 320.349 1.132 20 5 DDBDHN CCCN1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595455199 356499308 /nfs/dbraw/zinc/49/93/08/356499308.db2.gz SZGRDZWJLBSSLX-ZDUSSCGKSA-N 0 3 306.366 1.878 20 5 DDBDHN O=C1CC[C@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1 ZINC000595744990 356631947 /nfs/dbraw/zinc/63/19/47/356631947.db2.gz XPLWGVKCKBYEPX-ZFWWWQNUSA-N 0 3 303.362 1.738 20 5 DDBDHN O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000595944501 356716913 /nfs/dbraw/zinc/71/69/13/356716913.db2.gz ZGGSHTMGEFCABZ-LBPRGKRZSA-N 0 3 317.305 1.231 20 5 DDBDHN O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1n[n-]cc1[N+](=O)[O-] ZINC000595944501 356716914 /nfs/dbraw/zinc/71/69/14/356716914.db2.gz ZGGSHTMGEFCABZ-LBPRGKRZSA-N 0 3 317.305 1.231 20 5 DDBDHN COc1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000596070744 356761193 /nfs/dbraw/zinc/76/11/93/356761193.db2.gz SXUVMVSNGRXPMJ-CQSZACIVSA-N 0 3 320.349 1.259 20 5 DDBDHN CS[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@@H]1N1CCCC1 ZINC000596194924 356809366 /nfs/dbraw/zinc/80/93/66/356809366.db2.gz IHJJXTPRKLLWGV-NWDGAFQWSA-N 0 3 323.422 1.588 20 5 DDBDHN CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@H]1CCN(CC)C1 ZINC000598041304 357439462 /nfs/dbraw/zinc/43/94/62/357439462.db2.gz KXPMKQFSDROYJG-LBPRGKRZSA-N 0 3 306.366 1.855 20 5 DDBDHN CC[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H](C)N1 ZINC000598536783 357624879 /nfs/dbraw/zinc/62/48/79/357624879.db2.gz WUTRGHKMUDAZFS-VHSXEESVSA-N 0 3 317.349 1.684 20 5 DDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CC[NH2+]C12CCC2 ZINC000599108865 357818503 /nfs/dbraw/zinc/81/85/03/357818503.db2.gz YPOYHCXLRJQVII-GFCCVEGCSA-N 0 3 311.363 1.158 20 5 DDBDHN O=[N+]([O-])c1c(NCCN2CC[C@H](O)C2)ccc2ncccc21 ZINC000599200089 357847846 /nfs/dbraw/zinc/84/78/46/357847846.db2.gz WGSDGHSEHAUOEJ-NSHDSACASA-N 0 3 302.334 1.622 20 5 DDBDHN CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CN2CCC1CC2 ZINC000348002101 283327108 /nfs/dbraw/zinc/32/71/08/283327108.db2.gz SRKXINLPAJGNBK-HNNXBMFYSA-N 0 3 319.361 1.526 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN2C2CCCC2)n1 ZINC000600470444 358233347 /nfs/dbraw/zinc/23/33/47/358233347.db2.gz OLHOWSIOBMQLBC-GFCCVEGCSA-N 0 3 321.381 1.558 20 5 DDBDHN CC(C)[C@@H](CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000180617965 199185888 /nfs/dbraw/zinc/18/58/88/199185888.db2.gz CXFDYAXIACACIB-GFCCVEGCSA-N 0 3 315.757 1.793 20 5 DDBDHN CN(CCCN1CCN(C)CC1)c1ncc(F)cc1[N+](=O)[O-] ZINC000601116395 358408916 /nfs/dbraw/zinc/40/89/16/358408916.db2.gz SRTNPSPZUYDANU-UHFFFAOYSA-N 0 3 311.361 1.203 20 5 DDBDHN CCN1CCCC[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181066825 199247875 /nfs/dbraw/zinc/24/78/75/199247875.db2.gz VQYLMASHKWVQSF-NSHDSACASA-N 0 3 306.366 1.781 20 5 DDBDHN CO[C@@]1(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCOC1 ZINC000602454053 358987790 /nfs/dbraw/zinc/98/77/90/358987790.db2.gz NUTSTIZNPOZYBO-MRXNPFEDSA-N 0 3 321.377 1.522 20 5 DDBDHN COC(=O)[C@@H]1CC12CCN(Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000602473624 359001603 /nfs/dbraw/zinc/00/16/03/359001603.db2.gz VLKOOICIUUNJRA-NSHDSACASA-N 0 3 308.338 1.103 20 5 DDBDHN CCCN(C(=O)Nc1c(C)cncc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000602961592 359325233 /nfs/dbraw/zinc/32/52/33/359325233.db2.gz WJTKGAHDVBRHJL-GFCCVEGCSA-N 0 3 321.381 1.668 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](O)[C@H](C)C1 ZINC000186858850 200023632 /nfs/dbraw/zinc/02/36/32/200023632.db2.gz XQEUANFUPUBRKP-DOMZBBRYSA-N 0 3 321.377 1.935 20 5 DDBDHN CN(C)C1(CN(C)CC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000186953043 200037721 /nfs/dbraw/zinc/03/77/21/200037721.db2.gz JJAVVLZEJKSQNE-UHFFFAOYSA-N 0 3 320.393 1.949 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC1(CN(C)C)CCC1 ZINC000281014906 216023273 /nfs/dbraw/zinc/02/32/73/216023273.db2.gz FWRFZJVUKUHSNH-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN CN1CCC[C@H](N2CCN(c3ccncc3[N+](=O)[O-])CC2)C1 ZINC000609675108 360344287 /nfs/dbraw/zinc/34/42/87/360344287.db2.gz VWRQGXQVULHGDU-ZDUSSCGKSA-N 0 3 305.382 1.206 20 5 DDBDHN CCN1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000612030667 360895439 /nfs/dbraw/zinc/89/54/39/360895439.db2.gz WIWJMUGNOLWRJS-KBPBESRZSA-N 0 3 323.393 1.361 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000579438172 422765256 /nfs/dbraw/zinc/76/52/56/422765256.db2.gz QJAQCVWIDSHYLH-YPMHNXCESA-N 0 3 305.334 1.136 20 5 DDBDHN Cc1c(CNC[C@H]2CNc3ccnn3C2)cccc1[N+](=O)[O-] ZINC000619265767 363953624 /nfs/dbraw/zinc/95/36/24/363953624.db2.gz WGROYPKKHFOCJM-LBPRGKRZSA-N 0 3 301.350 1.931 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC2(c3cccc(F)c3)CC2)c1 ZINC000271783366 209211293 /nfs/dbraw/zinc/21/12/93/209211293.db2.gz LYQXYTYVURMCFU-AWEZNQCLSA-N 0 3 320.324 1.570 20 5 DDBDHN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000275155031 212154925 /nfs/dbraw/zinc/15/49/25/212154925.db2.gz HNELKNZWZWWHPF-ZYHUDNBSSA-N 0 3 306.322 1.408 20 5 DDBDHN C[C@H](CCN1CCOCC1)NCc1ccc([N+](=O)[O-])cc1F ZINC000350286199 284178083 /nfs/dbraw/zinc/17/80/83/284178083.db2.gz KLBHJZUTLYRPGC-GFCCVEGCSA-N 0 3 311.357 1.934 20 5 DDBDHN CN(CCCn1ccnc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271684223 209124874 /nfs/dbraw/zinc/12/48/74/209124874.db2.gz KLFMPZWVTAARAW-HNNXBMFYSA-N 0 3 304.350 1.847 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCN1CCCOCC1 ZINC000567406528 304217890 /nfs/dbraw/zinc/21/78/90/304217890.db2.gz LEZBUPLKZHCCGD-OAHLLOKOSA-N 0 3 305.378 1.894 20 5 DDBDHN COC(=O)c1cc(C)nc(NCCN(C)C2CC2)c1[N+](=O)[O-] ZINC000288638563 220312881 /nfs/dbraw/zinc/31/28/81/220312881.db2.gz YYAVODDCDWFQCP-UHFFFAOYSA-N 0 3 308.338 1.591 20 5 DDBDHN CC(C)[C@@H](CO)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000156315618 197103427 /nfs/dbraw/zinc/10/34/27/197103427.db2.gz LCQJHNIRVDZGGA-LLVKDONJSA-N 0 3 315.757 1.793 20 5 DDBDHN Cc1cn[nH]c1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000289549388 221059411 /nfs/dbraw/zinc/05/94/11/221059411.db2.gz QAHYHDFPWVLKCP-UHFFFAOYSA-N 0 3 324.362 1.190 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000330923163 533604538 /nfs/dbraw/zinc/60/45/38/533604538.db2.gz SGBLICMNESKOFL-OLZOCXBDSA-N 0 3 320.393 1.630 20 5 DDBDHN C[NH2+]CCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000036298076 406978438 /nfs/dbraw/zinc/97/84/38/406978438.db2.gz CXDVMJCCASRDSN-UHFFFAOYSA-N 0 3 301.368 1.099 20 5 DDBDHN CC(C)N1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075635413 406938049 /nfs/dbraw/zinc/93/80/49/406938049.db2.gz RXIMSDMBYUWUMC-UHFFFAOYSA-N 0 3 320.393 1.949 20 5 DDBDHN CC(C)[C@H](CNc1ccc([N+](=O)[O-])cn1)N1CCN(C)CC1 ZINC000045851958 407050813 /nfs/dbraw/zinc/05/08/13/407050813.db2.gz HWRDMZWKDAJWOC-AWEZNQCLSA-N 0 3 307.398 1.674 20 5 DDBDHN CCN1CCN([C@@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000046948462 407067708 /nfs/dbraw/zinc/06/77/08/407067708.db2.gz HQIAWYHDEZVCLG-ZDUSSCGKSA-N 0 3 320.393 1.351 20 5 DDBDHN CCN1CCCC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000067709385 407281427 /nfs/dbraw/zinc/28/14/27/407281427.db2.gz MQWUQHRQYJEQOQ-OAHLLOKOSA-N 0 3 320.393 1.997 20 5 DDBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185766193 407496632 /nfs/dbraw/zinc/49/66/32/407496632.db2.gz DSLONXRDFORPEW-NSHDSACASA-N 0 3 315.395 1.603 20 5 DDBDHN COC[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000112991254 407455247 /nfs/dbraw/zinc/45/52/47/407455247.db2.gz RXRDTFGXKQPDQQ-ZFWWWQNUSA-N 0 3 324.377 1.693 20 5 DDBDHN Cc1ccc(CN2CCNC[C@@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000261931315 407678063 /nfs/dbraw/zinc/67/80/63/407678063.db2.gz CTIYCEXXFZNOFA-OAHLLOKOSA-N 0 3 315.377 1.783 20 5 DDBDHN CN(C)C[C@@H]1CCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000268072127 407877299 /nfs/dbraw/zinc/87/72/99/407877299.db2.gz ATRFJVGVPSQLFN-LBPRGKRZSA-N 0 3 307.350 1.526 20 5 DDBDHN CN1CC[C@@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272528858 407965377 /nfs/dbraw/zinc/96/53/77/407965377.db2.gz MHBZSHWHVNRPJA-QMMMGPOBSA-N 0 3 321.362 1.281 20 5 DDBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000118494665 407920666 /nfs/dbraw/zinc/92/06/66/407920666.db2.gz WUBQLYLMQQJZNM-JTQLQIEISA-N 0 3 322.321 1.493 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000268278939 407982216 /nfs/dbraw/zinc/98/22/16/407982216.db2.gz WUSBWOKCUIEELZ-GXFFZTMASA-N 0 3 321.381 1.089 20 5 DDBDHN Cc1nc(NC[C@@H](C(C)C)N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000268439319 408045142 /nfs/dbraw/zinc/04/51/42/408045142.db2.gz CRWVLEBJWQRRHS-HNNXBMFYSA-N 0 3 321.425 1.982 20 5 DDBDHN CN(CCc1ccncc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000181447443 407998957 /nfs/dbraw/zinc/99/89/57/407998957.db2.gz ZFTOWXABQFGYJE-UHFFFAOYSA-N 0 3 302.334 1.326 20 5 DDBDHN CN1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000273098091 408056334 /nfs/dbraw/zinc/05/63/34/408056334.db2.gz DQGGPJRCOLHZJQ-ZDUSSCGKSA-N 0 3 323.393 1.361 20 5 DDBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1OC[C@@H]1CNCCO1 ZINC000149378555 408192802 /nfs/dbraw/zinc/19/28/02/408192802.db2.gz YGKKSJWKICENHQ-VIFPVBQESA-N 0 3 306.240 1.981 20 5 DDBDHN CN(C)CCOc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000137543376 408158406 /nfs/dbraw/zinc/15/84/06/408158406.db2.gz IHIKVOWCEGENQA-UHFFFAOYSA-N 0 3 319.321 1.511 20 5 DDBDHN Cc1c(CC(=O)N2CCC[C@@H]2CN(C)C)cccc1[N+](=O)[O-] ZINC000269658972 408379423 /nfs/dbraw/zinc/37/94/23/408379423.db2.gz FVBIENKADCZFPY-CQSZACIVSA-N 0 3 305.378 1.998 20 5 DDBDHN COCCN(CCN(C)C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000264173350 408389891 /nfs/dbraw/zinc/38/98/91/408389891.db2.gz LFHDJZJLFAMKRF-UHFFFAOYSA-N 0 3 309.366 1.553 20 5 DDBDHN CN(C)CCN(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000270356885 408503685 /nfs/dbraw/zinc/50/36/85/408503685.db2.gz JFXWEMALTGPXJI-UHFFFAOYSA-N 0 3 304.350 1.639 20 5 DDBDHN COc1ccc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000177130306 408528350 /nfs/dbraw/zinc/52/83/50/408528350.db2.gz DECHSJVQDGHIHW-JQWIXIFHSA-N 0 3 319.361 1.958 20 5 DDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176866506 408462089 /nfs/dbraw/zinc/46/20/89/408462089.db2.gz FGQZCAKNIMSQHN-PWSUYJOCSA-N 0 3 306.366 1.589 20 5 DDBDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000160308082 408467041 /nfs/dbraw/zinc/46/70/41/408467041.db2.gz QNVSXVPTMMNNRV-LBPRGKRZSA-N 0 3 307.350 1.171 20 5 DDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)N1CCC[C@H](C)C1 ZINC000248438759 408566328 /nfs/dbraw/zinc/56/63/28/408566328.db2.gz TWUVZLYIPOEJHV-WDEREUQCSA-N 0 3 321.381 1.422 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000177144799 408533235 /nfs/dbraw/zinc/53/32/35/408533235.db2.gz YYCGSTDKPLKFKD-NXEZZACHSA-N 0 3 321.381 1.625 20 5 DDBDHN Cc1nn(C)c(C(=O)N(C)C[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000265297302 408605720 /nfs/dbraw/zinc/60/57/20/408605720.db2.gz LNJCFHLJCWLTCP-NSHDSACASA-N 0 3 309.370 1.051 20 5 DDBDHN COC(=O)[C@@]1(C)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000177470800 408630344 /nfs/dbraw/zinc/63/03/44/408630344.db2.gz BZCHWPWFIKHAMC-HNNXBMFYSA-N 0 3 308.334 1.859 20 5 DDBDHN CC(C)[C@@H](CCO)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000161832707 408644999 /nfs/dbraw/zinc/64/49/99/408644999.db2.gz DOYJAHSYLZIEKO-CQSZACIVSA-N 0 3 321.377 1.481 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1CN(C)C ZINC000194686003 408791747 /nfs/dbraw/zinc/79/17/47/408791747.db2.gz HNSBKTGXLNBCDG-GFCCVEGCSA-N 0 3 306.366 1.855 20 5 DDBDHN CN(C)CCN(C)c1c(Br)cncc1[N+](=O)[O-] ZINC000270947955 408755266 /nfs/dbraw/zinc/75/52/66/408755266.db2.gz LGCJUHJKILKOEU-UHFFFAOYSA-N 0 3 303.160 1.750 20 5 DDBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000249760466 408765093 /nfs/dbraw/zinc/76/50/93/408765093.db2.gz XOGZHPKFVRGPIG-RYUDHWBXSA-N 0 3 309.370 1.028 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)[C@@H]2C1 ZINC000276337659 408839076 /nfs/dbraw/zinc/83/90/76/408839076.db2.gz HOPWYXVSVWSKNP-QMTHXVAHSA-N 0 3 304.350 1.343 20 5 DDBDHN CN(CCCO)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000281740243 408920915 /nfs/dbraw/zinc/92/09/15/408920915.db2.gz JXXLSHFPFVCPLA-UHFFFAOYSA-N 0 3 304.350 1.810 20 5 DDBDHN CCN1CCCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000286651241 408992823 /nfs/dbraw/zinc/99/28/23/408992823.db2.gz DRAHNFCNDBWJNI-UHFFFAOYSA-N 0 3 308.338 1.308 20 5 DDBDHN CO[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000282271336 409024191 /nfs/dbraw/zinc/02/41/91/409024191.db2.gz HPWSVYHUXSHRAZ-BPLDGKMQSA-N 0 3 324.377 1.834 20 5 DDBDHN C[C@H](N[C@H]1CCOC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000277900430 409032100 /nfs/dbraw/zinc/03/21/00/409032100.db2.gz OXZJRPDDRNPVKG-SUNKGSAMSA-N 0 3 307.350 1.936 20 5 DDBDHN Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC000287505021 409045967 /nfs/dbraw/zinc/04/59/67/409045967.db2.gz NWJSYQCOKHZCGZ-SNVBAGLBSA-N 0 3 304.310 1.128 20 5 DDBDHN COC(=O)c1cc(C)nc(NC[C@@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC000287831237 409101406 /nfs/dbraw/zinc/10/14/06/409101406.db2.gz KSLNIWWPIUBWHD-SNVBAGLBSA-N 0 3 322.365 1.979 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000283855821 409228827 /nfs/dbraw/zinc/22/88/27/409228827.db2.gz HESCFZYGSJXSLF-NSHDSACASA-N 0 3 307.350 1.770 20 5 DDBDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC000284108252 409277171 /nfs/dbraw/zinc/27/71/71/409277171.db2.gz NFLCIBYGDZCHFD-JOYOIKCWSA-N 0 3 316.365 1.743 20 5 DDBDHN COC(=O)COc1ccc(CNC[C@@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000348999187 409640158 /nfs/dbraw/zinc/64/01/58/409640158.db2.gz DYSZKBHEEUHDQL-CYBMUJFWSA-N 0 3 324.333 1.007 20 5 DDBDHN COc1ccc(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000304323871 409605848 /nfs/dbraw/zinc/60/58/48/409605848.db2.gz MRDVLYVDTHDXKE-AWEZNQCLSA-N 0 3 320.349 1.293 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000342451396 409642333 /nfs/dbraw/zinc/64/23/33/409642333.db2.gz PAVZHJAPORMNHZ-LKFCYVNXSA-N 0 3 304.350 1.511 20 5 DDBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346254933 409877964 /nfs/dbraw/zinc/87/79/64/409877964.db2.gz HSTLVKNXIPQTTC-QJPTWQEYSA-N 0 3 321.381 1.131 20 5 DDBDHN COCCCN1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000339176297 410066282 /nfs/dbraw/zinc/06/62/82/410066282.db2.gz RUSFZUDRUSOTQJ-UHFFFAOYSA-N 0 3 310.354 1.154 20 5 DDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000346725142 410115579 /nfs/dbraw/zinc/11/55/79/410115579.db2.gz YFTUROKZUQSQNO-HNNXBMFYSA-N 0 3 321.377 1.778 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CCN(C2CC2)CC1 ZINC000298219963 410139762 /nfs/dbraw/zinc/13/97/62/410139762.db2.gz VXQCMMHYKRHZIM-UHFFFAOYSA-N 0 3 303.362 1.880 20 5 DDBDHN CN(C)CCN(C(=O)c1c([N+](=O)[O-])cnn1C)C1CCCCC1 ZINC000347237275 410408831 /nfs/dbraw/zinc/40/88/31/410408831.db2.gz PFAFHSVOMMKLOA-UHFFFAOYSA-N 0 3 323.397 1.665 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCCN(C)[C@@H]1C ZINC000343457052 410468917 /nfs/dbraw/zinc/46/89/17/410468917.db2.gz KOYBYCNWNJOCKQ-MFKMUULPSA-N 0 3 306.366 1.849 20 5 DDBDHN COc1cc(C(=O)N[C@H]2CCCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343462142 410470894 /nfs/dbraw/zinc/47/08/94/410470894.db2.gz SVSKYJSTVGPQLM-JQWIXIFHSA-N 0 3 307.350 1.816 20 5 DDBDHN Cn1c(C(=O)NCC(C)(C)N2CCCCC2)ccc1[N+](=O)[O-] ZINC000330393086 410664433 /nfs/dbraw/zinc/66/44/33/410664433.db2.gz JZHJJFBEFHQDNF-UHFFFAOYSA-N 0 3 308.382 1.928 20 5 DDBDHN CCN1CCN(C[C@H](C)CNc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000301296404 410693339 /nfs/dbraw/zinc/69/33/39/410693339.db2.gz SHNKJUOUYMRSQE-GFCCVEGCSA-N 0 3 324.429 1.322 20 5 DDBDHN CNC(=O)c1ccc(N(C)[C@@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301430496 410720686 /nfs/dbraw/zinc/72/06/86/410720686.db2.gz QEUQLFADGMXJQH-WCQYABFASA-N 0 3 320.393 1.873 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000359595206 410758200 /nfs/dbraw/zinc/75/82/00/410758200.db2.gz OWGLSYRXYFETGJ-GHMZBOCLSA-N 0 3 313.427 1.601 20 5 DDBDHN COC(=O)c1cnc(N[C@H]2C[C@@H](C)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000302750017 410856938 /nfs/dbraw/zinc/85/69/38/410856938.db2.gz GWKLHYSZFDCPBI-KOLCDFICSA-N 0 3 320.349 1.814 20 5 DDBDHN C[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000330836111 410896316 /nfs/dbraw/zinc/89/63/16/410896316.db2.gz KMIAPKLTJKLNKR-YRGRVCCFSA-N 0 3 310.350 1.037 20 5 DDBDHN C[C@@H]1CC(C)(C)C[C@@](CO)(NCc2c([N+](=O)[O-])ncn2C)C1 ZINC000331125931 410964551 /nfs/dbraw/zinc/96/45/51/410964551.db2.gz NPDKSXMOPTYCFL-ABAIWWIYSA-N 0 3 310.398 1.995 20 5 DDBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356465709 411046694 /nfs/dbraw/zinc/04/66/94/411046694.db2.gz YVFLXXRTUGBDRT-WDEREUQCSA-N 0 3 309.370 1.179 20 5 DDBDHN CN(C)C1(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000416305309 224877400 /nfs/dbraw/zinc/87/74/00/224877400.db2.gz AVNJVRSBRFLKGD-UHFFFAOYSA-N 0 3 307.306 1.148 20 5 DDBDHN Cc1ccc([C@H](C)NCCC(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000177833603 221856928 /nfs/dbraw/zinc/85/69/28/221856928.db2.gz GNEHRSYTCGQDJX-ZDUSSCGKSA-N 0 3 321.377 1.803 20 5 DDBDHN N=C(NO)[C@H]1CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000374176764 418500324 /nfs/dbraw/zinc/50/03/24/418500324.db2.gz RZHFHAHKUNFHEC-LLVKDONJSA-N 0 3 321.337 1.004 20 5 DDBDHN CNC(=O)c1ccc(N2CC[C@H]3CCN(C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000375035555 418592086 /nfs/dbraw/zinc/59/20/86/418592086.db2.gz CTNFLEBQLKZOOS-ABAIWWIYSA-N 0 3 318.377 1.485 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000367461500 418601467 /nfs/dbraw/zinc/60/14/67/418601467.db2.gz AGFZYXPUTXMSJT-CZUORRHYSA-N 0 3 319.361 1.750 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](O)C2(CC2)C1 ZINC000375311222 418627951 /nfs/dbraw/zinc/62/79/51/418627951.db2.gz VTVRYFFLLPZQHS-AWEZNQCLSA-N 0 3 319.361 1.689 20 5 DDBDHN CC(C)CN1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000361828439 418715154 /nfs/dbraw/zinc/71/51/54/418715154.db2.gz FKJXQYZXIFBCFU-UHFFFAOYSA-N 0 3 321.381 1.257 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC(O[C@H]3CCOC3)CC2)n1 ZINC000361438314 418653051 /nfs/dbraw/zinc/65/30/51/418653051.db2.gz XJRGUNXPCGIBRG-ZDUSSCGKSA-N 0 3 310.354 1.061 20 5 DDBDHN C[C@@H](Sc1nnnn1CCN(C)C)c1ccccc1[N+](=O)[O-] ZINC000361449539 418654957 /nfs/dbraw/zinc/65/49/57/418654957.db2.gz NTOMOMLMKVSDAC-SNVBAGLBSA-N 0 3 322.394 1.996 20 5 DDBDHN COC(=O)[C@H]1CN(C)CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000411915054 419482376 /nfs/dbraw/zinc/48/23/76/419482376.db2.gz YJTQYRONLQBYSL-AWEZNQCLSA-N 0 3 321.377 1.174 20 5 DDBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@H]1CCCN1C ZINC000421002731 419442507 /nfs/dbraw/zinc/44/25/07/419442507.db2.gz MOXRGLXWLLBSRP-QWHCGFSZSA-N 0 3 320.393 1.948 20 5 DDBDHN C[C@@H]1[C@H](CO)CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000412061861 419610925 /nfs/dbraw/zinc/61/09/25/419610925.db2.gz AKLXPLBKYVCOIC-RDBSUJKOSA-N 0 3 324.377 1.427 20 5 DDBDHN CC(C)[C@@H]1N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000427188144 419614137 /nfs/dbraw/zinc/61/41/37/419614137.db2.gz WZAHFBFQEGKILY-KGLIPLIRSA-N 0 3 308.382 1.663 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(C(C)C)C2)n1 ZINC000427705077 419719459 /nfs/dbraw/zinc/71/94/59/419719459.db2.gz GYYIJRJCVAPKQI-LLVKDONJSA-N 0 3 309.370 1.414 20 5 DDBDHN CCc1ccccc1[C@@H](N)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000423978170 420289631 /nfs/dbraw/zinc/28/96/31/420289631.db2.gz OBVCFSUVBILOMJ-LBPRGKRZSA-N 0 3 302.334 1.915 20 5 DDBDHN C[C@]1(F)CNCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000420337474 420218267 /nfs/dbraw/zinc/21/82/67/420218267.db2.gz QVEINZUFVPISFT-HNNXBMFYSA-N 0 3 324.356 1.557 20 5 DDBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000416307072 420323968 /nfs/dbraw/zinc/32/39/68/420323968.db2.gz JACWRPXCKGZVGP-UHFFFAOYSA-N 0 3 314.345 1.967 20 5 DDBDHN COC(=O)c1cc(C)nc(N(C)C[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000420638581 420338450 /nfs/dbraw/zinc/33/84/50/420338450.db2.gz QQAWEXXOKDCXHM-LLVKDONJSA-N 0 3 322.365 1.615 20 5 DDBDHN O=C(NC[C@H]1CNCCO1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000423994076 420296652 /nfs/dbraw/zinc/29/66/52/420296652.db2.gz RYDWJLGWGPXRAG-LLVKDONJSA-N 0 3 321.358 1.528 20 5 DDBDHN CO[C@@H](CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000425417023 420379951 /nfs/dbraw/zinc/37/99/51/420379951.db2.gz MCMKCXUHJTZZNE-JSGCOSHPSA-N 0 3 306.366 1.901 20 5 DDBDHN C[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000417760552 420470638 /nfs/dbraw/zinc/47/06/38/420470638.db2.gz GIFQITUCTDURAG-NEPJUHHUSA-N 0 3 306.366 1.529 20 5 DDBDHN CCNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447507884 420776108 /nfs/dbraw/zinc/77/61/08/420776108.db2.gz JDCDGBGSKIFKQL-QJPTWQEYSA-N 0 3 309.370 1.389 20 5 DDBDHN CCNC(=O)[C@H](C)N[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447507887 420776823 /nfs/dbraw/zinc/77/68/23/420776823.db2.gz JDCDGBGSKIFKQL-TUAOUCFPSA-N 0 3 309.370 1.389 20 5 DDBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@H](O)[C@H](CO)C3)o2)c1 ZINC000459694209 420849226 /nfs/dbraw/zinc/84/92/26/420849226.db2.gz GDAOKEYKYPTNSD-WFASDCNBSA-N 0 3 318.329 1.640 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)NCC(F)F ZINC000449302507 420985955 /nfs/dbraw/zinc/98/59/55/420985955.db2.gz VOANMAOSPOVKJK-SECBINFHSA-N 0 3 301.293 1.497 20 5 DDBDHN Cc1sc(C(=O)N[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000449667481 421053690 /nfs/dbraw/zinc/05/36/90/421053690.db2.gz UWTGWICQFLFUCJ-VIFPVBQESA-N 0 3 305.306 1.692 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CNCCC1(F)F ZINC000449670476 421053938 /nfs/dbraw/zinc/05/39/38/421053938.db2.gz ZWOGIEJGLIORTL-SNVBAGLBSA-N 0 3 300.265 1.025 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000449430237 421010901 /nfs/dbraw/zinc/01/09/01/421010901.db2.gz BVOPQTGUJLKBIW-FVQBIDKESA-N 0 3 306.362 1.957 20 5 DDBDHN CC[C@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)NC ZINC000449770618 421080688 /nfs/dbraw/zinc/08/06/88/421080688.db2.gz GAMOIEILECLMBB-GWCFXTLKSA-N 0 3 322.365 1.426 20 5 DDBDHN C[C@H](NC[C@H](O)COC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000553407097 421613578 /nfs/dbraw/zinc/61/35/78/421613578.db2.gz XWIDHAGSALNVLJ-IHRRRGAJSA-N 0 3 324.377 1.802 20 5 DDBDHN C[C@@H]1CCN(CC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000518792703 421668312 /nfs/dbraw/zinc/66/83/12/421668312.db2.gz QCMQAAMSJCDGSR-GFCCVEGCSA-N 0 3 303.362 1.821 20 5 DDBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000570823134 421671241 /nfs/dbraw/zinc/67/12/41/421671241.db2.gz IIRUFYPNYNHLON-LLVKDONJSA-N 0 3 321.381 1.518 20 5 DDBDHN Cc1cc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)ccn1 ZINC000574870885 422199609 /nfs/dbraw/zinc/19/96/09/422199609.db2.gz YCWPXLVWJIHAGJ-HNNXBMFYSA-N 0 3 317.345 1.828 20 5 DDBDHN Cc1cc(OCC(=O)NCCN2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000578480308 422579238 /nfs/dbraw/zinc/57/92/38/422579238.db2.gz QGTYCKAIMVJGTO-LBPRGKRZSA-N 0 3 321.377 1.740 20 5 DDBDHN O=[N+]([O-])c1cnn(CCNC2(c3ccc4c(c3)OCO4)CC2)c1 ZINC000342214922 271341659 /nfs/dbraw/zinc/34/16/59/271341659.db2.gz ZLJCNAYXQHWXJW-UHFFFAOYSA-N 0 3 316.317 1.799 20 5 DDBDHN COc1ccc(CNC(=O)[C@H](N)CC(F)F)cc1[N+](=O)[O-] ZINC000345727853 272316207 /nfs/dbraw/zinc/31/62/07/272316207.db2.gz VJRCEICPSDBXQG-MRVPVSSYSA-N 0 3 303.265 1.202 20 5 DDBDHN CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[n-]2)CC[N@@H+]1CCOC ZINC000271006141 276030983 /nfs/dbraw/zinc/03/09/83/276030983.db2.gz YACOKLAJNPOHPH-GFCCVEGCSA-N 0 3 324.381 1.496 20 5 DDBDHN CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[n-]2)CC[N@H+]1CCOC ZINC000271006141 276030984 /nfs/dbraw/zinc/03/09/84/276030984.db2.gz YACOKLAJNPOHPH-GFCCVEGCSA-N 0 3 324.381 1.496 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000269333246 276040585 /nfs/dbraw/zinc/04/05/85/276040585.db2.gz ATGZKHRKRVHBSG-GHMZBOCLSA-N 0 3 323.397 1.996 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000269333246 276040587 /nfs/dbraw/zinc/04/05/87/276040587.db2.gz ATGZKHRKRVHBSG-GHMZBOCLSA-N 0 3 323.397 1.996 20 5 DDBDHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455818371 276169595 /nfs/dbraw/zinc/16/95/95/276169595.db2.gz AXVIVUMZLSOHMT-LLVKDONJSA-N 0 3 321.381 1.588 20 5 DDBDHN CNC(=O)c1ccc(N2CCCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000057857608 277258451 /nfs/dbraw/zinc/25/84/51/277258451.db2.gz ALGMETKFYMKABI-UHFFFAOYSA-N 0 3 318.377 1.629 20 5 DDBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000128326652 281307502 /nfs/dbraw/zinc/30/75/02/281307502.db2.gz XNKZMBPLNFXASI-LLVKDONJSA-N 0 3 309.370 1.702 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)Cn1cccn1 ZINC000354920742 298565359 /nfs/dbraw/zinc/56/53/59/298565359.db2.gz OFUPNVVPKGQTNK-GFCCVEGCSA-N 0 3 317.349 1.717 20 5 DDBDHN NC(=O)c1ccc(CN2CCC[C@@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000362454463 300067524 /nfs/dbraw/zinc/06/75/24/300067524.db2.gz QNQJGKAMIONJMU-ZIAGYGMSSA-N 0 3 319.361 1.695 20 5 DDBDHN C[C@H]1CN(C2CCOCC2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000362659120 300111480 /nfs/dbraw/zinc/11/14/80/300111480.db2.gz UVQJIEWVWTXZFE-NSHDSACASA-N 0 3 309.370 1.018 20 5 DDBDHN CO[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000363651026 300292643 /nfs/dbraw/zinc/29/26/43/300292643.db2.gz JNNXLBTWHYODGB-ZIAGYGMSSA-N 0 3 324.377 1.835 20 5 DDBDHN O=C1CC[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C2CC2)N1 ZINC000367459751 300847659 /nfs/dbraw/zinc/84/76/59/300847659.db2.gz VRYWVAQQALLLRV-DZKIICNBSA-N 0 3 319.361 1.275 20 5 DDBDHN NC(=O)c1ccc(CN2CCCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000368576840 301055998 /nfs/dbraw/zinc/05/59/98/301055998.db2.gz QLAJPRTTWVIQSQ-UHFFFAOYSA-N 0 3 319.361 1.839 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000278815968 302039188 /nfs/dbraw/zinc/03/91/88/302039188.db2.gz UDINCEYFXYPBOU-CYBMUJFWSA-N 0 3 321.377 1.480 20 5 DDBDHN CC1(C)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000377394378 302176593 /nfs/dbraw/zinc/17/65/93/302176593.db2.gz XPHRXGXGAFRKMW-AWEZNQCLSA-N 0 3 324.377 1.835 20 5 DDBDHN COCC(C)(C)N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000429274587 302387815 /nfs/dbraw/zinc/38/78/15/302387815.db2.gz SUHPMQZQQOBGRC-CYBMUJFWSA-N 0 3 312.366 1.691 20 5 DDBDHN Cn1ccnc1[C@H]1CNCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000261812878 303009528 /nfs/dbraw/zinc/00/95/28/303009528.db2.gz SUXNYYMTFKOQKK-OAHLLOKOSA-N 0 3 315.377 1.517 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000532873519 303300201 /nfs/dbraw/zinc/30/02/01/303300201.db2.gz PCRBDDJMHNKITI-YPMHNXCESA-N 0 3 306.366 1.490 20 5 DDBDHN CSC1(CNC(=O)c2ccc([N+](=O)[O-])cn2)CCN(C)CC1 ZINC000558555465 303774490 /nfs/dbraw/zinc/77/44/90/303774490.db2.gz GCCWVYAHLKSPOV-UHFFFAOYSA-N 0 3 324.406 1.547 20 5 DDBDHN COc1ccc(OCCN2C[C@H]3[C@H](CO)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000366425823 307073556 /nfs/dbraw/zinc/07/35/56/307073556.db2.gz XTXKYCZYHKALHX-ITGUQSILSA-N 0 3 308.334 1.152 20 5 DDBDHN CC(C)N1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000563506936 307972071 /nfs/dbraw/zinc/97/20/71/307972071.db2.gz KXBWIJJOKQSADW-HNNXBMFYSA-N 0 3 319.409 1.595 20 5 DDBDHN Cc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1F ZINC000573165985 308230692 /nfs/dbraw/zinc/23/06/92/308230692.db2.gz LYNVOMNKQCAOLP-ZDUSSCGKSA-N 0 3 308.313 1.390 20 5 DDBDHN C[C@]1(F)CNCCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000576850595 308344443 /nfs/dbraw/zinc/34/44/43/308344443.db2.gz MNWNVPLUBCVNDN-LBPRGKRZSA-N 0 3 311.342 1.737 20 5 DDBDHN O=C1C[C@H](NC2CCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000584060894 331657810 /nfs/dbraw/zinc/65/78/10/331657810.db2.gz IZGPRXUVJRBDRF-ZDUSSCGKSA-N 0 3 303.318 1.759 20 5 DDBDHN O=C(CCN1CC[C@]12CCOC2)Nc1ccccc1[N+](=O)[O-] ZINC000421019809 484110496 /nfs/dbraw/zinc/11/04/96/484110496.db2.gz MTVGBCRKWIIISR-OAHLLOKOSA-N 0 3 305.334 1.788 20 5 DDBDHN NC(=O)c1ccc(CN2CCC[C@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421024313 484112010 /nfs/dbraw/zinc/11/20/10/484112010.db2.gz XELBOZZOWWELHF-LBPRGKRZSA-N 0 3 321.377 1.678 20 5 DDBDHN COc1cc(CN[C@H]2CCCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000445765502 533903475 /nfs/dbraw/zinc/90/34/75/533903475.db2.gz MAFUONCQOBJYKD-NEPJUHHUSA-N 0 3 307.350 1.737 20 5 DDBDHN COc1cc(CN[C@H]2CC[C@@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000294937854 533906049 /nfs/dbraw/zinc/90/60/49/533906049.db2.gz BZQUGHSCESLCCO-PWSUYJOCSA-N 0 3 310.350 1.863 20 5 DDBDHN Cc1ccc([C@H](C)NC[C@H](O)Cn2ccnn2)cc1[N+](=O)[O-] ZINC000414178493 534226307 /nfs/dbraw/zinc/22/63/07/534226307.db2.gz KAWAWZJVGRTTIW-AAEUAGOBSA-N 0 3 305.338 1.206 20 5 DDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H](O)[C@H](CO)C1 ZINC000414564653 527528750 /nfs/dbraw/zinc/52/87/50/527528750.db2.gz XVSSKKCMRHFVMZ-CMIZMYSDSA-N 0 3 306.362 1.673 20 5 DDBDHN CCOC(=O)[C@@H]1NCC[C@H]1NCCc1cccc([N+](=O)[O-])c1 ZINC000423016982 527909546 /nfs/dbraw/zinc/90/95/46/527909546.db2.gz VFECZVZDHGWIMH-ZIAGYGMSSA-N 0 3 307.350 1.021 20 5 DDBDHN C[N@@H+]1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736857417 598504124 /nfs/dbraw/zinc/50/41/24/598504124.db2.gz NKLATWDFVYFBAW-JTQLQIEISA-N 0 3 317.353 1.529 20 5 DDBDHN C[N@H+]1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736857417 598504126 /nfs/dbraw/zinc/50/41/26/598504126.db2.gz NKLATWDFVYFBAW-JTQLQIEISA-N 0 3 317.353 1.529 20 5 DDBDHN C[N@@H+]1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736857417 598504128 /nfs/dbraw/zinc/50/41/28/598504128.db2.gz NKLATWDFVYFBAW-JTQLQIEISA-N 0 3 317.353 1.529 20 5 DDBDHN C[N@H+]1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736857417 598504129 /nfs/dbraw/zinc/50/41/29/598504129.db2.gz NKLATWDFVYFBAW-JTQLQIEISA-N 0 3 317.353 1.529 20 5 DDBDHN CC(C)CN1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776574984 698119758 /nfs/dbraw/zinc/11/97/58/698119758.db2.gz MUNYJKGVURHNFC-MRXNPFEDSA-N 0 3 307.394 1.902 20 5 DDBDHN CC(=O)NC[C@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580556 698120745 /nfs/dbraw/zinc/12/07/45/698120745.db2.gz WJWWKQOYHIPELB-CJNGLKHVSA-N 0 3 321.377 1.476 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(c3nnc[nH]3)CC2)cc1 ZINC000776593624 698124253 /nfs/dbraw/zinc/12/42/53/698124253.db2.gz YSHJJKCVRPFIAH-AWEZNQCLSA-N 0 3 317.349 1.626 20 5 DDBDHN CC(C)=CC(=O)N1CCC(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000989893282 698830471 /nfs/dbraw/zinc/83/04/71/698830471.db2.gz WLXOHJPFLVJTKC-UHFFFAOYSA-N 0 3 321.381 1.375 20 5 DDBDHN CCc1nncn1CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788749417 699337642 /nfs/dbraw/zinc/33/76/42/699337642.db2.gz FPVLMRTXXGTQEW-JTQLQIEISA-N 0 3 304.354 1.682 20 5 DDBDHN COc1ccc(CNC[C@@H](O)c2cccnc2)cc1[N+](=O)[O-] ZINC000771979404 701339039 /nfs/dbraw/zinc/33/90/39/701339039.db2.gz OBPBQFGRFUNCRW-CQSZACIVSA-N 0 3 303.318 1.822 20 5 DDBDHN CC(C)Cn1ncc2cc(C(=O)OCC(C)[N+](=O)[O-])cnc21 ZINC000813100748 702290360 /nfs/dbraw/zinc/29/03/60/702290360.db2.gz WKDSQIBEPZDYAU-SNVBAGLBSA-N 0 3 306.322 1.909 20 5 DDBDHN CC(COC(=O)c1ccccc1S[C@H](C)C(N)=O)[N+](=O)[O-] ZINC000813101971 702291383 /nfs/dbraw/zinc/29/13/83/702291383.db2.gz MGPJIRUSJABTGA-DTWKUNHWSA-N 0 3 312.347 1.475 20 5 DDBDHN CC(COC(=O)[C@H](C)n1nnc(-c2ccccc2)n1)[N+](=O)[O-] ZINC000813103756 702292179 /nfs/dbraw/zinc/29/21/79/702292179.db2.gz SKKHBNRWHPGTIX-UWVGGRQHSA-N 0 3 305.294 1.110 20 5 DDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1N1CCNC1=O ZINC000813107671 702294294 /nfs/dbraw/zinc/29/42/94/702294294.db2.gz QDJLDBHCKWJFFK-SNVBAGLBSA-N 0 3 307.306 1.347 20 5 DDBDHN CC(C)S(=O)(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813108550 702295473 /nfs/dbraw/zinc/29/54/73/702295473.db2.gz ZNXNNKJNNUHRMJ-JTQLQIEISA-N 0 3 315.347 1.691 20 5 DDBDHN CC(COC(=O)c1cnn(-c2ccc(Cl)cc2)n1)[N+](=O)[O-] ZINC000813109743 702295776 /nfs/dbraw/zinc/29/57/76/702295776.db2.gz VWYXDJJWLMGWEM-MRVPVSSYSA-N 0 3 310.697 1.743 20 5 DDBDHN COc1ccc(C(=O)NCCCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111359 702297009 /nfs/dbraw/zinc/29/70/09/702297009.db2.gz RXEALBRAJAMABA-NSHDSACASA-N 0 3 324.333 1.414 20 5 DDBDHN CC(COC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000813115616 702300307 /nfs/dbraw/zinc/30/03/07/702300307.db2.gz WKAOECHMWHOBSH-GHMZBOCLSA-N 0 3 316.354 1.842 20 5 DDBDHN C[C@@H](N[C@H]1CNCCC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817979510 702541554 /nfs/dbraw/zinc/54/15/54/702541554.db2.gz BOZXZSLNIQTCAX-PELKAZGASA-N 0 3 300.309 1.825 20 5 DDBDHN Cc1c(Cc2noc(C[C@H]3CNCCO3)n2)cccc1[N+](=O)[O-] ZINC000843191099 702837995 /nfs/dbraw/zinc/83/79/95/702837995.db2.gz CQJRZVIJEMQKLX-LBPRGKRZSA-N 0 3 318.333 1.408 20 5 DDBDHN CN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000846614193 703303873 /nfs/dbraw/zinc/30/38/73/703303873.db2.gz LOVCLVUJQMDVMZ-UHFFFAOYSA-N 0 3 306.366 1.735 20 5 DDBDHN CCn1cccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1=O ZINC000819272417 704098330 /nfs/dbraw/zinc/09/83/30/704098330.db2.gz VEQLNKLFWUAPHO-OAHLLOKOSA-N 0 3 317.345 1.600 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871151174 704231240 /nfs/dbraw/zinc/23/12/40/704231240.db2.gz YIMCPVBIPLXAMD-UHFFFAOYSA-N 0 3 306.366 1.855 20 5 DDBDHN CCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000855360252 704480675 /nfs/dbraw/zinc/48/06/75/704480675.db2.gz DFCZGCNYHHGSFU-UONOGXRCSA-N 0 3 307.350 1.181 20 5 DDBDHN Cc1noc(COc2ccc(C(=O)OCC(C)[N+](=O)[O-])cn2)n1 ZINC000860777796 705279846 /nfs/dbraw/zinc/27/98/46/705279846.db2.gz WFFVDLYTTWYZJJ-QMMMGPOBSA-N 0 3 322.277 1.174 20 5 DDBDHN Cc1ccc(CSc2nnnn2CCN(C)C)cc1[N+](=O)[O-] ZINC000865352750 706411382 /nfs/dbraw/zinc/41/13/82/706411382.db2.gz GOLJYQRMHIREGK-UHFFFAOYSA-N 0 3 322.394 1.744 20 5 DDBDHN O=[N+]([O-])c1ncccc1CN1CCN(CC2CCOCC2)CC1 ZINC000886014269 708681952 /nfs/dbraw/zinc/68/19/52/708681952.db2.gz DAAAJKZLZBUUOG-UHFFFAOYSA-N 0 3 320.393 1.534 20 5 DDBDHN O=[N+]([O-])c1ncccc1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000886034773 708685814 /nfs/dbraw/zinc/68/58/14/708685814.db2.gz FYJWGAZOFFQQCA-ZDUSSCGKSA-N 0 3 306.366 1.144 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCN(CC)C[C@@H]2C)n1 ZINC000910279790 709862585 /nfs/dbraw/zinc/86/25/85/709862585.db2.gz NCCTXQRPUDQRJA-NSHDSACASA-N 0 3 309.370 1.368 20 5 DDBDHN C[C@H]1[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCN1C ZINC000928447860 713201144 /nfs/dbraw/zinc/20/11/44/713201144.db2.gz AHXPGXYLZZGPRL-TVQRCGJNSA-N 0 3 302.334 1.899 20 5 DDBDHN C[C@H]1[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000928459991 713206140 /nfs/dbraw/zinc/20/61/40/713206140.db2.gz YYGSZSDOSAXUHI-GXFFZTMASA-N 0 3 317.349 1.153 20 5 DDBDHN CN(CCO)CCN(C)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000894591674 711199134 /nfs/dbraw/zinc/19/91/34/711199134.db2.gz TXPXEUKBMSBUSB-UHFFFAOYSA-N 0 3 322.287 1.369 20 5 DDBDHN COC(=O)c1cc(C)nc(N[C@@H]2CCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000895734804 711590354 /nfs/dbraw/zinc/59/03/54/711590354.db2.gz AUPOKUSTSAFVKI-MWLCHTKSSA-N 0 3 308.338 1.589 20 5 DDBDHN O=[N+]([O-])CCNC[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000905339749 712006879 /nfs/dbraw/zinc/00/68/79/712006879.db2.gz BXCZHUKEIKLCAI-SNVBAGLBSA-N 0 3 306.284 1.723 20 5 DDBDHN COc1ccc(CNC(=O)N[C@@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000914300034 713373001 /nfs/dbraw/zinc/37/30/01/713373001.db2.gz HTEHOWVAIWSVAU-ZYHUDNBSSA-N 0 3 322.365 1.495 20 5 DDBDHN O=C(NCCN1CCCC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000929461212 713615256 /nfs/dbraw/zinc/61/52/56/713615256.db2.gz GHYACIMYXHBMTN-LSDHHAIUSA-N 0 3 303.362 1.910 20 5 DDBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1cc[nH]c1 ZINC001022115604 734394810 /nfs/dbraw/zinc/39/48/10/734394810.db2.gz LVVYCDXCCWHZAC-OKILXGFUSA-N 0 3 314.345 1.974 20 5 DDBDHN Cc1cc(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001125542684 734451910 /nfs/dbraw/zinc/45/19/10/734451910.db2.gz UJKJILJPBVVAMD-UHFFFAOYSA-N 0 3 317.349 1.075 20 5 DDBDHN Cc1cc(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001125542684 734451912 /nfs/dbraw/zinc/45/19/12/734451912.db2.gz UJKJILJPBVVAMD-UHFFFAOYSA-N 0 3 317.349 1.075 20 5 DDBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](C)N2CCCCC2)n1 ZINC001182440004 743623489 /nfs/dbraw/zinc/62/34/89/743623489.db2.gz HTBCIMZMMYAJRY-LBPRGKRZSA-N 0 3 306.366 1.902 20 5 DDBDHN CCN(CCNc1ncccc1[N+](=O)[O-])C(=O)CN(C)C(C)C ZINC001106778868 746064873 /nfs/dbraw/zinc/06/48/73/746064873.db2.gz LEKPZBOCZKFGSY-UHFFFAOYSA-N 0 3 323.397 1.590 20 5 DDBDHN CCCN(C)CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cn1 ZINC001107280245 749725811 /nfs/dbraw/zinc/72/58/11/749725811.db2.gz KCPOKOSXAZUPNK-PLNGDYQASA-N 0 3 321.381 1.416 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1ccncn1 ZINC001168803708 762039708 /nfs/dbraw/zinc/03/97/08/762039708.db2.gz DCMAIPABFZRHRW-UHFFFAOYSA-N 0 3 315.333 1.295 20 5 DDBDHN CC(C)(C)OC(=O)[C@H](N)C1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169004388 762173858 /nfs/dbraw/zinc/17/38/58/762173858.db2.gz QVSSBOHAVPBVRD-KGYLQXTDSA-N 0 3 313.398 1.033 20 5 DDBDHN O=C(CCc1ccon1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001131342763 768000312 /nfs/dbraw/zinc/00/03/12/768000312.db2.gz JPTRJAPMKFRTRV-UHFFFAOYSA-N 0 3 318.333 1.421 20 5 DDBDHN O=C(COCC(F)F)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001131766050 768354535 /nfs/dbraw/zinc/35/45/35/768354535.db2.gz YGIXOBRNAWGOLB-UHFFFAOYSA-N 0 3 317.292 1.082 20 5 DDBDHN COC(=O)COc1c(C)cc(NCC2CN(C)C2)cc1[N+](=O)[O-] ZINC001170258743 766206963 /nfs/dbraw/zinc/20/69/63/766206963.db2.gz LUWNVBSHCDOXSE-UHFFFAOYSA-N 0 3 323.349 1.429 20 5 DDBDHN Cc1ccnn1CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001134513537 771023572 /nfs/dbraw/zinc/02/35/72/771023572.db2.gz WAMLRLVIWCQTEB-UHFFFAOYSA-N 0 3 317.349 1.006 20 5 DDBDHN CCN(CC)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097030169 771601321 /nfs/dbraw/zinc/60/13/21/771601321.db2.gz STSVJVAMAGLKMZ-HDJSIYSDSA-N 0 3 320.393 1.996 20 5 DDBDHN CCN(C)C(C)(C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001093953310 775261998 /nfs/dbraw/zinc/26/19/98/775261998.db2.gz WNHZPSIMTMBWJC-UHFFFAOYSA-N 0 3 308.382 1.853 20 5 DDBDHN CN(C)C1(C(=O)NCCN(C)c2ccc([N+](=O)[O-])cn2)CCC1 ZINC001100195669 775801932 /nfs/dbraw/zinc/80/19/32/775801932.db2.gz BMXLOMZSLDZNAO-UHFFFAOYSA-N 0 3 321.381 1.027 20 5 DDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1c[n-][nH]c1=O ZINC001173214235 777068221 /nfs/dbraw/zinc/06/82/21/777068221.db2.gz NRJILVNRLSXEAK-YPMHNXCESA-N 0 3 304.350 1.627 20 5 DDBDHN CCOC(=O)[C@@H]1CNCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC001118261404 781077861 /nfs/dbraw/zinc/07/78/61/781077861.db2.gz UAGXPASIUGKCLJ-ZDUSSCGKSA-N 0 3 311.313 1.071 20 5 DDBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)Cc1cnoc1 ZINC001266813001 836871557 /nfs/dbraw/zinc/87/15/57/836871557.db2.gz CXAWZGWZAYFALF-UHFFFAOYSA-N 0 3 318.333 1.374 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1cscn1 ZINC001155684664 862375350 /nfs/dbraw/zinc/37/53/50/862375350.db2.gz ZCKUBFAOGVKKFM-UHFFFAOYSA-N 0 3 320.374 1.961 20 5 DDBDHN Nc1cc([N+](=O)[O-])cnc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001155832749 862486514 /nfs/dbraw/zinc/48/65/14/862486514.db2.gz AKKKYLVENODWEN-GXTWGEPZSA-N 0 3 307.354 1.285 20 5 DDBDHN COC(=O)c1cc(C(=O)N[C@H]2CCN(C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC001155892649 862536227 /nfs/dbraw/zinc/53/62/27/862536227.db2.gz KSKAISRNXXEDDA-ZANVPECISA-N 0 3 321.333 1.204 20 5 DDBDHN Cn1cccc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001123641499 859339192 /nfs/dbraw/zinc/33/91/92/859339192.db2.gz KILULVPHUYPLTE-UHFFFAOYSA-N 0 3 302.334 1.453 20 5 DDBDHN CCc1ocnc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125109077 859896556 /nfs/dbraw/zinc/89/65/56/859896556.db2.gz KUEXCSQHYSXBFQ-UHFFFAOYSA-N 0 3 318.333 1.665 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])C1=CCOCC1 ZINC001156960828 863478137 /nfs/dbraw/zinc/47/81/37/863478137.db2.gz RIWSXSVLVPVWRR-UHFFFAOYSA-N 0 3 319.361 1.537 20 5 DDBDHN NCc1ccc2c(n1)N(c1ncc([N+](=O)[O-])cc1N)CCC2 ZINC001158652945 864790450 /nfs/dbraw/zinc/79/04/50/864790450.db2.gz WKWCWDIGBDJKLL-UHFFFAOYSA-N 0 3 300.322 1.510 20 5 DDBDHN COc1ncc([N+](=O)[O-])cc1NCCCN1CCN(C)CC1 ZINC001161708751 866918608 /nfs/dbraw/zinc/91/86/08/866918608.db2.gz VCAXGHLYYVUIGU-UHFFFAOYSA-N 0 3 309.370 1.048 20 5 DDBDHN O=[N+]([O-])c1ccc(Cl)nc1NCc1nnn2c1CNCCC2 ZINC001162971321 867959346 /nfs/dbraw/zinc/95/93/46/867959346.db2.gz BJMZLSUFIAKZKY-UHFFFAOYSA-N 0 3 323.744 1.340 20 5 DDBDHN O=C1NCCC12CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001336840567 869177008 /nfs/dbraw/zinc/17/70/08/869177008.db2.gz CZAULEOPWAVVQH-AWEZNQCLSA-N 0 3 319.361 1.230 20 5 DDBDHN COc1cc2ncnc(N3CC(C)(N(C)C)C3)c2cc1[N+](=O)[O-] ZINC001165118299 869384258 /nfs/dbraw/zinc/38/42/58/869384258.db2.gz RTTIFDSOSXTDRL-UHFFFAOYSA-N 0 3 317.349 1.687 20 5 DDBDHN CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC001340124498 870907333 /nfs/dbraw/zinc/90/73/33/870907333.db2.gz TXWUGSXWXVWOAL-NWDGAFQWSA-N 0 3 310.402 1.412 20 5 DDBDHN Cn1ncc(CCCNCc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC001308776403 871527139 /nfs/dbraw/zinc/52/71/39/871527139.db2.gz DTQSLKJBXWOATF-UHFFFAOYSA-N 0 3 316.321 1.587 20 5 DDBDHN COc1c([O-])ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001342829736 872404948 /nfs/dbraw/zinc/40/49/48/872404948.db2.gz LSUYWYYWQDIBSO-CYBMUJFWSA-N 0 3 321.377 1.979 20 5 DDBDHN COc1c([O-])ccc(CN2CCC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001342829736 872404956 /nfs/dbraw/zinc/40/49/56/872404956.db2.gz LSUYWYYWQDIBSO-CYBMUJFWSA-N 0 3 321.377 1.979 20 5 DDBDHN CN1CCCC[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001347503989 874163247 /nfs/dbraw/zinc/16/32/47/874163247.db2.gz PPNMNHXEMRCNDF-CYBMUJFWSA-N 0 3 307.350 1.574 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@@H]1CCCN(C)C1 ZINC001223449782 880966583 /nfs/dbraw/zinc/96/65/83/880966583.db2.gz GWXQBQGLCCMOPE-CYBMUJFWSA-N 0 3 308.334 1.992 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CNCCC1(F)F ZINC000449660830 230628564 /nfs/dbraw/zinc/62/85/64/230628564.db2.gz HCKIANHIPXPEAQ-LLVKDONJSA-N 0 3 315.276 1.330 20 5 DDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC(=O)N(C)C1 ZINC000358083234 299071130 /nfs/dbraw/zinc/07/11/30/299071130.db2.gz KFWPYUCGLUJDII-ZYHUDNBSSA-N 0 3 320.349 1.132 20 5 DDBDHN CC[C@]1(O)CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000495218714 529441452 /nfs/dbraw/zinc/44/14/52/529441452.db2.gz GHSJYZBGIVUXMP-HNNXBMFYSA-N 0 3 310.350 1.829 20 5 DDBDHN COC[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000181702027 199341086 /nfs/dbraw/zinc/34/10/86/199341086.db2.gz CDSIFFBCRVJEST-GJZGRUSLSA-N 0 3 320.349 1.130 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358474128 299165000 /nfs/dbraw/zinc/16/50/00/299165000.db2.gz UCULEDQHGCUWLU-CQSZACIVSA-N 0 3 308.338 1.091 20 5 DDBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000155698523 186104602 /nfs/dbraw/zinc/10/46/02/186104602.db2.gz QIDCXTLBTPEKTI-OCCSQVGLSA-N 0 3 305.378 1.982 20 5 DDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000262843955 186311900 /nfs/dbraw/zinc/31/19/00/186311900.db2.gz YBCAWQWSRYSDHL-NWDGAFQWSA-N 0 3 306.366 1.606 20 5 DDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000262878747 186318113 /nfs/dbraw/zinc/31/81/13/186318113.db2.gz VTGJMIGOQKKTDW-NWDGAFQWSA-N 0 3 306.366 1.240 20 5 DDBDHN C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000042503853 352340843 /nfs/dbraw/zinc/34/08/43/352340843.db2.gz XURVELSLTNLXMY-LBPRGKRZSA-N 0 3 307.350 1.574 20 5 DDBDHN O=C(COc1cccc([N+](=O)[O-])c1)NCCN1CCCCC1 ZINC000047140460 352482861 /nfs/dbraw/zinc/48/28/61/352482861.db2.gz CYPZBLHDQVRQTN-UHFFFAOYSA-N 0 3 307.350 1.576 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000057159505 352802139 /nfs/dbraw/zinc/80/21/39/352802139.db2.gz FHZDBNUAPGHFAN-LBPRGKRZSA-N 0 3 307.350 1.574 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](C(F)(F)F)C2)c1 ZINC000174657040 198366489 /nfs/dbraw/zinc/36/64/89/198366489.db2.gz AQCXSAHEEAAVIC-ONGXEEELSA-N 0 3 322.287 1.427 20 5 DDBDHN O=C(CCN1CCC(CO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000079989954 353585884 /nfs/dbraw/zinc/58/58/84/353585884.db2.gz UJKWXNCYQDXUEP-UHFFFAOYSA-N 0 3 307.350 1.628 20 5 DDBDHN CC(C)(C(=O)N[C@H]1CCN(CC2CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000108298395 353949428 /nfs/dbraw/zinc/94/94/28/353949428.db2.gz BDQWAIYUVUKWCM-LBPRGKRZSA-N 0 3 321.381 1.127 20 5 DDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCNC1CC1 ZINC000123666204 354033002 /nfs/dbraw/zinc/03/30/02/354033002.db2.gz UXPASNKGZCNUGM-UHFFFAOYSA-N 0 3 313.379 1.242 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCC[C@H]([NH3+])C1 ZINC000125058584 354044235 /nfs/dbraw/zinc/04/42/35/354044235.db2.gz KJFZNEVUXOQYTB-WDEREUQCSA-N 0 3 313.379 1.451 20 5 DDBDHN C[C@@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CN1C1CC1 ZINC000589584114 355002335 /nfs/dbraw/zinc/00/23/35/355002335.db2.gz GCANXYHTCVQIKG-BXKDBHETSA-N 0 3 306.366 1.706 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590010689 355040766 /nfs/dbraw/zinc/04/07/66/355040766.db2.gz OTTZBKPGGDFLLC-OCCSQVGLSA-N 0 3 318.377 1.478 20 5 DDBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000590402429 355085334 /nfs/dbraw/zinc/08/53/34/355085334.db2.gz UCFTWWSWWZLAFS-LSDHHAIUSA-N 0 3 319.361 1.530 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590443376 355097890 /nfs/dbraw/zinc/09/78/90/355097890.db2.gz IMZHFRHEEDPNJG-SMDDNHRTSA-N 0 3 305.334 1.136 20 5 DDBDHN COc1c(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590447663 355099142 /nfs/dbraw/zinc/09/91/42/355099142.db2.gz ZRENJKZSRAHWEG-ZWNOBZJWSA-N 0 3 305.334 1.380 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNCCC1(CO)CC1)OCCO2 ZINC000590660988 355140175 /nfs/dbraw/zinc/14/01/75/355140175.db2.gz OVURTMHOYTYHOY-UHFFFAOYSA-N 0 3 308.334 1.618 20 5 DDBDHN O=[N+]([O-])c1cnc(N2CCN(c3ccncc3)CC2)c(F)c1 ZINC000591136889 355253336 /nfs/dbraw/zinc/25/33/36/355253336.db2.gz DNWYGKRBOHGCNX-UHFFFAOYSA-N 0 3 303.297 1.851 20 5 DDBDHN CCC[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccn1 ZINC000591734508 355374593 /nfs/dbraw/zinc/37/45/93/355374593.db2.gz IJWMIWFACWXQJW-KGLIPLIRSA-N 0 3 319.365 1.678 20 5 DDBDHN CNc1ccc(C(=O)N2CCN[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000592246396 355546817 /nfs/dbraw/zinc/54/68/17/355546817.db2.gz MHHXYERSEDROFR-CYBMUJFWSA-N 0 3 306.366 1.707 20 5 DDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000592523780 355611913 /nfs/dbraw/zinc/61/19/13/355611913.db2.gz PYXCBPQXLBYZNA-LLVKDONJSA-N 0 3 324.356 1.286 20 5 DDBDHN O=C1CC[C@@H](CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000593014005 355770504 /nfs/dbraw/zinc/77/05/04/355770504.db2.gz ZSWIWOZRJQMFBF-LBPRGKRZSA-N 0 3 319.361 1.717 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000593168846 355815840 /nfs/dbraw/zinc/81/58/40/355815840.db2.gz YGVIKRHCJINUQZ-RISCZKNCSA-N 0 3 307.325 1.439 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593392998 355871073 /nfs/dbraw/zinc/87/10/73/355871073.db2.gz XNIDTGJGLDMQFM-CYBMUJFWSA-N 0 3 309.341 1.877 20 5 DDBDHN C[C@H](O)CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594055359 356101730 /nfs/dbraw/zinc/10/17/30/356101730.db2.gz KZDXKESHWMJTCX-FZMZJTMJSA-N 0 3 310.350 1.180 20 5 DDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594419784 356204385 /nfs/dbraw/zinc/20/43/85/356204385.db2.gz RLEVQTSVLOLULK-CHWSQXEVSA-N 0 3 318.377 1.924 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[C@@]1(O)CCOC1 ZINC000595048169 356376594 /nfs/dbraw/zinc/37/65/94/356376594.db2.gz VYDHPBPMIUOXEH-IAQYHMDHSA-N 0 3 310.350 1.796 20 5 DDBDHN Cc1c(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)cccc1[N+](=O)[O-] ZINC000595274117 356428823 /nfs/dbraw/zinc/42/88/23/356428823.db2.gz OGSSHZZDVKPCRE-VXGBXAGGSA-N 0 3 310.329 1.484 20 5 DDBDHN COC[C@@H](CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000595370249 356468338 /nfs/dbraw/zinc/46/83/38/356468338.db2.gz FYIHJIZBXWPYNJ-DGCLKSJQSA-N 0 3 310.354 1.137 20 5 DDBDHN COc1ccc(NC(=O)CN[C@@H](CO)C2CCC2)c([N+](=O)[O-])c1 ZINC000595618639 356579651 /nfs/dbraw/zinc/57/96/51/356579651.db2.gz YZQAQGKALZWKNU-ZDUSSCGKSA-N 0 3 323.349 1.293 20 5 DDBDHN CCC[C@@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000236925406 202075712 /nfs/dbraw/zinc/07/57/12/202075712.db2.gz VQMCZWYFMGOJPN-CQSZACIVSA-N 0 3 306.366 1.371 20 5 DDBDHN CN(C)CCCS(=O)(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000601349626 358510704 /nfs/dbraw/zinc/51/07/04/358510704.db2.gz HKKSZTFFSUQIRA-UHFFFAOYSA-N 0 3 313.379 1.239 20 5 DDBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H]3CNCCO3)CC2)cc1 ZINC000595886664 356692441 /nfs/dbraw/zinc/69/24/41/356692441.db2.gz XXCBFFJEUDUMQH-INIZCTEOSA-N 0 3 321.377 1.426 20 5 DDBDHN O=c1[n-]ccc(N2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000596063770 356758755 /nfs/dbraw/zinc/75/87/55/356758755.db2.gz SJMJGXQYJUWKNN-UHFFFAOYSA-N 0 3 301.306 1.417 20 5 DDBDHN CS[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000596197168 356810485 /nfs/dbraw/zinc/81/04/85/356810485.db2.gz VXUCXRORVLUSID-NWDGAFQWSA-N 0 3 324.406 1.711 20 5 DDBDHN CC(C)(C)N1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000596334536 356860190 /nfs/dbraw/zinc/86/01/90/356860190.db2.gz BIOMOBGIIRDYHU-VIFPVBQESA-N 0 3 307.354 1.373 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN[C@H](C(C)C)C1 ZINC000598576332 357638705 /nfs/dbraw/zinc/63/87/05/357638705.db2.gz RDWSVIXQTKUGDD-ZDUSSCGKSA-N 0 3 307.350 1.673 20 5 DDBDHN CC(C)[C@](C)(CN)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915416 357757711 /nfs/dbraw/zinc/75/77/11/357757711.db2.gz LQFGKNZRGDTSSU-AWEZNQCLSA-N 0 3 308.338 1.023 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](O)[C@@H]1CCCO1 ZINC000599067272 357807010 /nfs/dbraw/zinc/80/70/10/357807010.db2.gz YRUNIZCAOYPHDX-BPNCWPANSA-N 0 3 310.350 1.794 20 5 DDBDHN CCOc1ccc([C@H](C)N[C@H]2C[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000599071459 357807633 /nfs/dbraw/zinc/80/76/33/357807633.db2.gz VPEJANURLUQSIL-DLOVCJGASA-N 0 3 307.350 1.908 20 5 DDBDHN CC[C@@H]1CN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C[C@H](C)N1 ZINC000599180801 357841548 /nfs/dbraw/zinc/84/15/48/357841548.db2.gz ZGGZUOXYZQRUKY-WDEREUQCSA-N 0 3 322.365 1.662 20 5 DDBDHN C[C@H]1CC(F)(F)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599623365 357995833 /nfs/dbraw/zinc/99/58/33/357995833.db2.gz OXUUFODZMDMABX-ONGXEEELSA-N 0 3 304.297 1.272 20 5 DDBDHN CCOc1ccc([C@H](C)NC[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC000600710232 358290822 /nfs/dbraw/zinc/29/08/22/358290822.db2.gz MUAJAHXTJXTOAZ-AAEUAGOBSA-N 0 3 309.366 1.633 20 5 DDBDHN CN(C)CCn1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)cn1 ZINC000601020457 358384865 /nfs/dbraw/zinc/38/48/65/358384865.db2.gz QIBKUGSGNASKNB-UHFFFAOYSA-N 0 3 317.349 1.283 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCCN([C@H](C)CO)CC1 ZINC000358914485 299279567 /nfs/dbraw/zinc/27/95/67/299279567.db2.gz JIPASOZBPDUOSD-LLVKDONJSA-N 0 3 311.386 1.013 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000602840647 359230257 /nfs/dbraw/zinc/23/02/57/359230257.db2.gz OUWDMTLVKNLHCK-LSDHHAIUSA-N 0 3 322.409 1.973 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000602801071 359202029 /nfs/dbraw/zinc/20/20/29/359202029.db2.gz LFFDODLLVLXTAS-CHWSQXEVSA-N 0 3 310.398 1.829 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC([C@@H]2CCCO2)CC1 ZINC000602814865 359210470 /nfs/dbraw/zinc/21/04/70/359210470.db2.gz FWDRYBIJTZSWMT-AWEZNQCLSA-N 0 3 308.382 1.991 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H]2C[C@@]2(O)C1 ZINC000603089708 359395940 /nfs/dbraw/zinc/39/59/40/359395940.db2.gz SRIRMYCVPHLTPX-IAQYHMDHSA-N 0 3 305.334 1.298 20 5 DDBDHN Cc1c(NC(=O)CCN2C[C@@H]3C[C@]3(O)C2)cccc1[N+](=O)[O-] ZINC000603092735 359397618 /nfs/dbraw/zinc/39/76/18/359397618.db2.gz YYXJFDPNFUAGRE-NHYWBVRUSA-N 0 3 305.334 1.298 20 5 DDBDHN CCO[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000604436833 359750618 /nfs/dbraw/zinc/75/06/18/359750618.db2.gz ASQVPBYQBVPZDN-GOEBONIOSA-N 0 3 324.377 1.835 20 5 DDBDHN CC(C)[C@@](C)(O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609571598 360326126 /nfs/dbraw/zinc/32/61/26/360326126.db2.gz VFYSLXLHLZXOPT-HNNXBMFYSA-N 0 3 310.350 1.863 20 5 DDBDHN CC[C@H](CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000609878267 360360038 /nfs/dbraw/zinc/36/00/38/360360038.db2.gz UUEUBAKPXNSHEG-GFCCVEGCSA-N 0 3 306.366 1.902 20 5 DDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000611528069 360749311 /nfs/dbraw/zinc/74/93/11/360749311.db2.gz BPJFSVPSCRHTDX-LLVKDONJSA-N 0 3 304.350 1.391 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](C(F)F)C1 ZINC000612110343 360923034 /nfs/dbraw/zinc/92/30/34/360923034.db2.gz DLVXILPDBGJFGS-GHMZBOCLSA-N 0 3 316.304 1.922 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](O)CN2CCCCC2)n1 ZINC000359079523 299322160 /nfs/dbraw/zinc/32/21/60/299322160.db2.gz BQGVWPFKVQKWQF-ZDUSSCGKSA-N 0 3 308.382 1.865 20 5 DDBDHN CCC(CC)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000006349875 181333123 /nfs/dbraw/zinc/33/31/23/181333123.db2.gz KCULVUWMPUNHLC-UHFFFAOYSA-N 0 3 315.395 1.651 20 5 DDBDHN Cc1cnc(N[C@@H](C)CCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000613704767 361526273 /nfs/dbraw/zinc/52/62/73/361526273.db2.gz QVCFDZNISCOOPR-ZDUSSCGKSA-N 0 3 307.398 1.736 20 5 DDBDHN COCCN(CCN(C)C)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000566273042 304136613 /nfs/dbraw/zinc/13/66/13/304136613.db2.gz SNWQCHQPBHGBDW-UHFFFAOYSA-N 0 3 309.366 1.553 20 5 DDBDHN Cc1n[n-]c(C(=O)NCCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000266099725 205097893 /nfs/dbraw/zinc/09/78/93/205097893.db2.gz RFXWJJIJUQMSPJ-UHFFFAOYSA-N 0 3 306.326 1.341 20 5 DDBDHN Cc1ccccc1CN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266436983 205344452 /nfs/dbraw/zinc/34/44/52/205344452.db2.gz LVXSNFQHHQQYSF-OAHLLOKOSA-N 0 3 304.350 1.593 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]1CN(C)C ZINC000267538963 206132233 /nfs/dbraw/zinc/13/22/33/206132233.db2.gz UNZGZPJNSNQXTF-GFCCVEGCSA-N 0 3 309.370 1.042 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCN(C)C ZINC000298734646 248819484 /nfs/dbraw/zinc/81/94/84/248819484.db2.gz VNIYSSIDMAILPU-UHFFFAOYSA-N 0 3 322.365 1.170 20 5 DDBDHN Cc1ccc(CN2CCO[C@@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000284719171 218148859 /nfs/dbraw/zinc/14/88/59/218148859.db2.gz UTHHUGJRDMOMSA-HZPDHXFCSA-N 0 3 305.378 1.808 20 5 DDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](CO)CN1CCCCC1 ZINC000288586685 220263123 /nfs/dbraw/zinc/26/31/23/220263123.db2.gz SAUZCLRRRAIMAF-CQSZACIVSA-N 0 3 321.377 1.100 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@@H]1CC[NH2+]C1 ZINC000110797710 194359040 /nfs/dbraw/zinc/35/90/40/194359040.db2.gz OTMCYOSYZPTCMR-NSHDSACASA-N 0 3 313.379 1.181 20 5 DDBDHN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C2CC2)C1 ZINC000340967282 251308169 /nfs/dbraw/zinc/30/81/69/251308169.db2.gz APIIOZLTLMXDTA-NSHDSACASA-N 0 3 304.350 1.360 20 5 DDBDHN CO[C@@H]1C[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000451864618 532954019 /nfs/dbraw/zinc/95/40/19/532954019.db2.gz ZXEVRKUAACTEAM-UONOGXRCSA-N 0 3 321.377 1.646 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000352590973 285161553 /nfs/dbraw/zinc/16/15/53/285161553.db2.gz PPLSADPEGVGDJS-YGRLFVJLSA-N 0 3 307.325 1.900 20 5 DDBDHN O=C(Nc1ccncc1[N+](=O)[O-])N1CCC(N2CC=CC2)CC1 ZINC000156919508 197150351 /nfs/dbraw/zinc/15/03/51/197150351.db2.gz FUPVYSWCKRHUFS-UHFFFAOYSA-N 0 3 317.349 1.858 20 5 DDBDHN CC(COC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1)[N+](=O)[O-] ZINC000496582007 307351856 /nfs/dbraw/zinc/35/18/56/307351856.db2.gz IYNXMGBSGGYNCQ-ZJUUUORDSA-N 0 3 316.354 1.983 20 5 DDBDHN COC(=O)CC1(NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000568888891 304320171 /nfs/dbraw/zinc/32/01/71/304320171.db2.gz HRGJAYWTJHZNIJ-UHFFFAOYSA-N 0 3 321.333 1.609 20 5 DDBDHN COC(C)(C)CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000569778403 304377905 /nfs/dbraw/zinc/37/79/05/304377905.db2.gz SSLHRJDWPMJUJP-UHFFFAOYSA-N 0 3 308.382 1.927 20 5 DDBDHN Cn1nc2c(cc1=O)CN(CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000078622690 407036650 /nfs/dbraw/zinc/03/66/50/407036650.db2.gz XXDYVOIBKKEDOD-UHFFFAOYSA-N 0 3 314.345 1.289 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CCN(C)CC1 ZINC000048773556 407106852 /nfs/dbraw/zinc/10/68/52/407106852.db2.gz BJMKFOJAFZSQHQ-UHFFFAOYSA-N 0 3 320.349 1.052 20 5 DDBDHN C[C@@H](NC[C@@H](O)COC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000180407008 306694924 /nfs/dbraw/zinc/69/49/24/306694924.db2.gz WNUGVRXXYDAIKT-IUODEOHRSA-N 0 3 324.377 1.802 20 5 DDBDHN COc1ccc(OCCN2CCC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000124569575 407362393 /nfs/dbraw/zinc/36/23/93/407362393.db2.gz SGFUAXNSFBZDOJ-HNNXBMFYSA-N 0 3 310.350 1.829 20 5 DDBDHN CCN1CCN([C@@H]2CCN(Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000107372363 407373971 /nfs/dbraw/zinc/37/39/71/407373971.db2.gz ATFXWJPTVAJSEM-CQSZACIVSA-N 0 3 324.450 1.868 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000125958020 407401747 /nfs/dbraw/zinc/40/17/47/407401747.db2.gz FLGOHYZDCUECCY-JTQLQIEISA-N 0 3 309.370 1.241 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](N)c1ccccc1 ZINC000152058609 407551888 /nfs/dbraw/zinc/55/18/88/407551888.db2.gz TULHUKBVCBXFQP-CYBMUJFWSA-N 0 3 317.349 1.306 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H](N3CCCC3)C2)n1 ZINC000271399406 407668138 /nfs/dbraw/zinc/66/81/38/407668138.db2.gz MHXREANGCIMDDF-LBPRGKRZSA-N 0 3 321.381 1.419 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1N1CCC(CN2CCOCC2)CC1 ZINC000267191178 407783472 /nfs/dbraw/zinc/78/34/72/407783472.db2.gz HKFPGUFHPMOVPH-UHFFFAOYSA-N 0 3 320.393 1.847 20 5 DDBDHN Cc1ccc(C(=O)NCCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000172312711 407819096 /nfs/dbraw/zinc/81/90/96/407819096.db2.gz LVCKMFSQRIISJF-UHFFFAOYSA-N 0 3 321.377 1.480 20 5 DDBDHN CNC(=O)c1ccc(N[C@H]2C[C@H](C)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000133550278 407855708 /nfs/dbraw/zinc/85/57/08/407855708.db2.gz YXRJVUHWJAOUHU-JQWIXIFHSA-N 0 3 318.377 1.992 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000268147756 407914228 /nfs/dbraw/zinc/91/42/28/407914228.db2.gz FKWCDIKLEIEZFC-XPTSAGLGSA-N 0 3 307.325 1.946 20 5 DDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000180743858 407915750 /nfs/dbraw/zinc/91/57/50/407915750.db2.gz FGJFQXDQLUHDDN-LLVKDONJSA-N 0 3 304.350 1.487 20 5 DDBDHN CCN1CC[C@@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000272467547 407934973 /nfs/dbraw/zinc/93/49/73/407934973.db2.gz WIABJMJPDXLUSI-WDEREUQCSA-N 0 3 309.370 1.131 20 5 DDBDHN Cc1cc(C(=O)N[C@H](C)C2=CCN(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000273069355 408044577 /nfs/dbraw/zinc/04/45/77/408044577.db2.gz ZJJTUTQJSZCCTF-LLVKDONJSA-N 0 3 318.377 1.866 20 5 DDBDHN CCO[C@@H]1C[C@H](O)C12CCN(CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000174873066 407998622 /nfs/dbraw/zinc/99/86/22/407998622.db2.gz MSPHBJAGDIAIIL-UONOGXRCSA-N 0 3 324.381 1.043 20 5 DDBDHN Cc1nc([C@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000268497003 408069912 /nfs/dbraw/zinc/06/99/12/408069912.db2.gz RIWYDAFKHZSMSX-NSHDSACASA-N 0 3 305.342 1.097 20 5 DDBDHN Cc1n[nH]c([C@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000268497003 408069916 /nfs/dbraw/zinc/06/99/16/408069916.db2.gz RIWYDAFKHZSMSX-NSHDSACASA-N 0 3 305.342 1.097 20 5 DDBDHN Cc1nnc([C@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000268497003 408069924 /nfs/dbraw/zinc/06/99/24/408069924.db2.gz RIWYDAFKHZSMSX-NSHDSACASA-N 0 3 305.342 1.097 20 5 DDBDHN COCC[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000273222714 408113964 /nfs/dbraw/zinc/11/39/64/408113964.db2.gz DLOAQVXIOXOFFF-CHWSQXEVSA-N 0 3 324.337 1.113 20 5 DDBDHN CCN1CCC[C@H]1CN(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000177030524 408500732 /nfs/dbraw/zinc/50/07/32/408500732.db2.gz FQINRWJALAEYQL-NSHDSACASA-N 0 3 306.366 1.733 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000177133881 408531756 /nfs/dbraw/zinc/53/17/56/408531756.db2.gz FNIMYLZJIQDGDJ-RYUDHWBXSA-N 0 3 319.361 1.715 20 5 DDBDHN CS[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270519347 408560035 /nfs/dbraw/zinc/56/00/35/408560035.db2.gz SKHSNTASQLANEE-UONOGXRCSA-N 0 3 323.418 1.641 20 5 DDBDHN CCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184458935 408623380 /nfs/dbraw/zinc/62/33/80/408623380.db2.gz QZKNUEHXTUHXSL-JTQLQIEISA-N 0 3 307.354 1.176 20 5 DDBDHN CSc1cccc(C(=O)NC[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000188075871 163039840 /nfs/dbraw/zinc/03/98/40/163039840.db2.gz CYRHYJRXBRIIIZ-SNVBAGLBSA-N 0 3 309.391 1.998 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC([C@@H]3CCCO3)CC2)c1 ZINC000189162863 163086603 /nfs/dbraw/zinc/08/66/03/163086603.db2.gz VOWSWOGUPFORNH-CABCVRRESA-N 0 3 324.381 1.043 20 5 DDBDHN COC(=O)c1cnc(NC[C@H](C)N(C)C2CC2)c([N+](=O)[O-])c1 ZINC000190172017 163130380 /nfs/dbraw/zinc/13/03/80/163130380.db2.gz AGKQVQFLMLHTRH-VIFPVBQESA-N 0 3 308.338 1.671 20 5 DDBDHN COC[C@H](Cc1ccccc1)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000191506268 163190061 /nfs/dbraw/zinc/19/00/61/163190061.db2.gz AVNHUURKYUWUCB-HNNXBMFYSA-N 0 3 318.377 1.981 20 5 DDBDHN CO[C@@]1(C)CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000279391109 409204892 /nfs/dbraw/zinc/20/48/92/409204892.db2.gz UHCKQMIWIBKABR-CJNGLKHVSA-N 0 3 324.377 1.835 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295609121 409357362 /nfs/dbraw/zinc/35/73/62/409357362.db2.gz YAWKLXBXEGGNAO-NSHDSACASA-N 0 3 307.350 1.624 20 5 DDBDHN C[C@]1(F)CNCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000295210694 409377577 /nfs/dbraw/zinc/37/75/77/409377577.db2.gz LNKGICWICNPCIB-AWEZNQCLSA-N 0 3 321.312 1.245 20 5 DDBDHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295281886 409411734 /nfs/dbraw/zinc/41/17/34/409411734.db2.gz DBVALEKCJDGWDI-HOTGVXAUSA-N 0 3 321.377 1.379 20 5 DDBDHN CN(C[C@H](O)COc1ccc([N+](=O)[O-])c(F)c1F)C1CC1 ZINC000296100498 409429891 /nfs/dbraw/zinc/42/98/91/409429891.db2.gz ZXCWESOZQWMRBO-VIFPVBQESA-N 0 3 302.277 1.707 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000347020517 164098366 /nfs/dbraw/zinc/09/83/66/164098366.db2.gz YFTMKMDPPYOKSK-CYBMUJFWSA-N 0 3 321.381 1.185 20 5 DDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000357034104 164136777 /nfs/dbraw/zinc/13/67/77/164136777.db2.gz CEHYZACCFDHIRA-LBPRGKRZSA-N 0 3 321.381 1.323 20 5 DDBDHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000408156401 164245510 /nfs/dbraw/zinc/24/55/10/164245510.db2.gz ZJLFGGFCYWXNAQ-NEPJUHHUSA-N 0 3 321.381 1.222 20 5 DDBDHN C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295445293 409486066 /nfs/dbraw/zinc/48/60/66/409486066.db2.gz AJSCWHSTLHTWNI-NSHDSACASA-N 0 3 318.377 1.733 20 5 DDBDHN CN(CCC(N)=O)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000348839526 409543513 /nfs/dbraw/zinc/54/35/13/409543513.db2.gz WPZILDKHYMOOFL-UHFFFAOYSA-N 0 3 317.349 1.303 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000342451398 409642230 /nfs/dbraw/zinc/64/22/30/409642230.db2.gz PAVZHJAPORMNHZ-OTYXRUKQSA-N 0 3 304.350 1.511 20 5 DDBDHN COC(=O)c1cc(C(=O)N[C@H](C)CN(C)C)cc([N+](=O)[O-])c1 ZINC000346185464 409851114 /nfs/dbraw/zinc/85/11/14/409851114.db2.gz DPVAYQJGQHQFCS-SECBINFHSA-N 0 3 309.322 1.061 20 5 DDBDHN CN(C)CCN(Cc1ccccc1)c1ncc([N+](=O)[O-])cn1 ZINC000354586293 409953167 /nfs/dbraw/zinc/95/31/67/409953167.db2.gz KPUDDCUGIDIBFQ-UHFFFAOYSA-N 0 3 301.350 1.953 20 5 DDBDHN COC(=O)[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000346657679 410062490 /nfs/dbraw/zinc/06/24/90/410062490.db2.gz LHCKZTKLSZRNRQ-FZMZJTMJSA-N 0 3 308.334 1.857 20 5 DDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000346725144 410114747 /nfs/dbraw/zinc/11/47/47/410114747.db2.gz YFTUROKZUQSQNO-OAHLLOKOSA-N 0 3 321.377 1.778 20 5 DDBDHN CC(C)N(C)C[C@H](C)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000357585390 410116978 /nfs/dbraw/zinc/11/69/78/410116978.db2.gz VTAJOXGMJUCALG-JTQLQIEISA-N 0 3 319.365 2.384 20 5 DDBDHN C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)N1CCCC[C@H]1C ZINC000351700900 410160419 /nfs/dbraw/zinc/16/04/19/410160419.db2.gz TUWAYWZQIUKYRJ-CHWSQXEVSA-N 0 3 323.397 1.561 20 5 DDBDHN CC[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)N(CC)CC ZINC000332732884 410240513 /nfs/dbraw/zinc/24/05/13/410240513.db2.gz SNLIELFHMVFUOE-HNNXBMFYSA-N 0 3 320.393 1.995 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2c2cccnc2)c1 ZINC000346999100 410298811 /nfs/dbraw/zinc/29/88/11/410298811.db2.gz PCXYUSDBCOKDFI-GJZGRUSLSA-N 0 3 317.349 1.384 20 5 DDBDHN C[C@H]1CN(c2ccncc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000343425656 410443423 /nfs/dbraw/zinc/44/34/23/410443423.db2.gz LOMMRCJCGHTIIF-UONOGXRCSA-N 0 3 319.409 1.452 20 5 DDBDHN COC1CC(N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000352209574 410547844 /nfs/dbraw/zinc/54/78/44/410547844.db2.gz CARKFRSAMJYRSB-CPCZMJQVSA-N 0 3 310.350 1.444 20 5 DDBDHN C[C@H](CN1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000356464242 411044025 /nfs/dbraw/zinc/04/40/25/411044025.db2.gz JENDMFUTWVNUOZ-GFCCVEGCSA-N 0 3 308.382 1.928 20 5 DDBDHN C[C@H](CC[NH+](C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000360655040 418485512 /nfs/dbraw/zinc/48/55/12/418485512.db2.gz WVCSOTRJYYBCSD-SECBINFHSA-N 0 3 319.358 1.352 20 5 DDBDHN N=C(NO)[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000374170290 418499925 /nfs/dbraw/zinc/49/99/25/418499925.db2.gz AQIDMVMXGBGQON-GFCCVEGCSA-N 0 3 308.338 1.784 20 5 DDBDHN COCCOC[C@@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000295421458 418586027 /nfs/dbraw/zinc/58/60/27/418586027.db2.gz YFHSXLARNGBGMO-AWEZNQCLSA-N 0 3 312.366 1.093 20 5 DDBDHN O=[N+]([O-])c1ccn(C2CCN(CCN3CCCOCC3)CC2)n1 ZINC000361381147 418640780 /nfs/dbraw/zinc/64/07/80/418640780.db2.gz LVIOHRFCIWSCOM-UHFFFAOYSA-N 0 3 323.397 1.151 20 5 DDBDHN C[C@H](CO)N1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000364611070 418793562 /nfs/dbraw/zinc/79/35/62/418793562.db2.gz YLFFKLLLIHLWRY-GFCCVEGCSA-N 0 3 320.393 1.456 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000371825249 418820362 /nfs/dbraw/zinc/82/03/62/418820362.db2.gz QTCZJRGJJODYSE-JKSUJKDBSA-N 0 3 305.378 1.939 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000365595283 418879711 /nfs/dbraw/zinc/87/97/11/418879711.db2.gz CQNHHDLGTGPFLY-QWHCGFSZSA-N 0 3 323.397 1.061 20 5 DDBDHN COc1ccc(OCCN2C[C@H](CO)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000420943303 419374281 /nfs/dbraw/zinc/37/42/81/419374281.db2.gz POQPOECQNYKBRA-QWHCGFSZSA-N 0 3 324.377 1.933 20 5 DDBDHN COc1cc(CN[C@H](CO)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000411983251 419542084 /nfs/dbraw/zinc/54/20/84/419542084.db2.gz FNJLTWVYIWAPBZ-CHWSQXEVSA-N 0 3 310.350 1.481 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](CO)[C@@H]1CCCOC1 ZINC000411991892 419548464 /nfs/dbraw/zinc/54/84/64/419548464.db2.gz YMMBJGMKIQLKSO-RISCZKNCSA-N 0 3 310.350 1.481 20 5 DDBDHN C[C@@H]1[C@@H](CO)CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000412061859 419608198 /nfs/dbraw/zinc/60/81/98/419608198.db2.gz AKLXPLBKYVCOIC-MGPQQGTHSA-N 0 3 324.377 1.427 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000427597695 419690035 /nfs/dbraw/zinc/69/00/35/419690035.db2.gz XIMOIRKXSVPUJC-ZDUSSCGKSA-N 0 3 319.361 1.912 20 5 DDBDHN CN(C[C@@H]1CCCN1C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000421707063 419694193 /nfs/dbraw/zinc/69/41/93/419694193.db2.gz WQFZKSXIJQPYKR-ZDUSSCGKSA-N 0 3 321.377 1.916 20 5 DDBDHN C[C@H]1CC[C@H](N(CCO)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000429794231 420049031 /nfs/dbraw/zinc/04/90/31/420049031.db2.gz WTQKGLWUFBGJIV-FZMZJTMJSA-N 0 3 321.377 1.677 20 5 DDBDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000415510794 420094643 /nfs/dbraw/zinc/09/46/43/420094643.db2.gz ZRUWTWQBJKSRJG-SKDRFNHKSA-N 0 3 308.338 1.829 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000444697971 230124187 /nfs/dbraw/zinc/12/41/87/230124187.db2.gz RIFCAGAKKRDMMC-ONGXEEELSA-N 0 3 322.287 1.427 20 5 DDBDHN COCC[C@]1(NCc2ccc(OC)c([N+](=O)[O-])c2)CCOC1 ZINC000447080128 230332272 /nfs/dbraw/zinc/33/22/72/230332272.db2.gz ZAKZBKPTPDGULV-HNNXBMFYSA-N 0 3 310.350 1.889 20 5 DDBDHN CO[C@H]1C[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000451496041 420601031 /nfs/dbraw/zinc/60/10/31/420601031.db2.gz LOXNUFSAGVQUIQ-STQMWFEESA-N 0 3 307.350 1.597 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457105358 420614690 /nfs/dbraw/zinc/61/46/90/420614690.db2.gz CDMQILOOSYOQDT-GFCCVEGCSA-N 0 3 309.370 1.041 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000442132917 420671428 /nfs/dbraw/zinc/67/14/28/420671428.db2.gz QKSDANHFBDIYED-CMPLNLGQSA-N 0 3 320.349 1.132 20 5 DDBDHN CN(C)CC(C)(C)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000458593712 420694140 /nfs/dbraw/zinc/69/41/40/420694140.db2.gz UPXWGTVSSMNZQW-UHFFFAOYSA-N 0 3 308.382 1.777 20 5 DDBDHN CN1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])nc2)C1 ZINC000450397909 421193313 /nfs/dbraw/zinc/19/33/13/421193313.db2.gz WMGXQDTZXMMBIP-VIFPVBQESA-N 0 3 321.366 1.079 20 5 DDBDHN CC(COC(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000496825172 421323290 /nfs/dbraw/zinc/32/32/90/421323290.db2.gz ABSHJXOJEWPYRF-NOZJJQNGSA-N 0 3 320.317 1.544 20 5 DDBDHN CC(COC(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000496825174 421323375 /nfs/dbraw/zinc/32/33/75/421323375.db2.gz ABSHJXOJEWPYRF-TVQRCGJNSA-N 0 3 320.317 1.544 20 5 DDBDHN Cc1ccc2c(c1)[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)CO2 ZINC000563529882 421518443 /nfs/dbraw/zinc/51/84/43/421518443.db2.gz KBGHUANIKFHOPT-GXTWGEPZSA-N 0 3 318.333 1.184 20 5 DDBDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548714397 421466155 /nfs/dbraw/zinc/46/61/55/421466155.db2.gz WCSAKWJXGXBNQQ-LLVKDONJSA-N 0 3 321.381 1.566 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C[C@@H](C)[NH3+])c1C ZINC000570842561 421673908 /nfs/dbraw/zinc/67/39/08/421673908.db2.gz PAPFBWVYIDEGBH-ZJUUUORDSA-N 0 3 315.395 1.616 20 5 DDBDHN CCC[C@@H](NCC(=O)N1CCNCC1)c1cccc([N+](=O)[O-])c1 ZINC000573108297 421922127 /nfs/dbraw/zinc/92/21/27/421922127.db2.gz LOXHRAFSTVPWFX-OAHLLOKOSA-N 0 3 320.393 1.457 20 5 DDBDHN C[C@H](CN1CCC(C)CC1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000596487316 422378379 /nfs/dbraw/zinc/37/83/79/422378379.db2.gz GJXGFGUMVNZHDM-GFCCVEGCSA-N 0 3 318.381 2.170 20 5 DDBDHN CC(C)N(CCN1C(=O)CCC1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000193843081 263495188 /nfs/dbraw/zinc/49/51/88/263495188.db2.gz AXOJZUWBDLDYEX-UHFFFAOYSA-N 0 3 319.361 1.954 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000341682532 271167082 /nfs/dbraw/zinc/16/70/82/271167082.db2.gz CRDNIDLTWVSBOY-KGLIPLIRSA-N 0 3 321.377 1.505 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCCC[C@@H]1CCO ZINC000342070544 271290347 /nfs/dbraw/zinc/29/03/47/271290347.db2.gz WRPSCGQBBWGEDU-CYBMUJFWSA-N 0 3 309.366 1.384 20 5 DDBDHN COC(=O)CC[C@@H](N)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000342665824 271473965 /nfs/dbraw/zinc/47/39/65/271473965.db2.gz YTXWEVHPDXIJDT-GFCCVEGCSA-N 0 3 323.349 1.227 20 5 DDBDHN CN1CCN(CCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344359822 272008515 /nfs/dbraw/zinc/00/85/15/272008515.db2.gz WMDOBFFBYYJPEE-UHFFFAOYSA-N 0 3 324.356 1.101 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCC[C@@H]2CN2CCC[C@H]2CO)nc1 ZINC000301526265 275036255 /nfs/dbraw/zinc/03/62/55/275036255.db2.gz JFGYDYIJSBVXJC-KGLIPLIRSA-N 0 3 306.366 1.415 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCC[C@H]2CN2CCC[C@@H]2CO)nc1 ZINC000301526267 275036296 /nfs/dbraw/zinc/03/62/96/275036296.db2.gz JFGYDYIJSBVXJC-UONOGXRCSA-N 0 3 306.366 1.415 20 5 DDBDHN C[C@H](CN1CCCCC1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183639450 279302511 /nfs/dbraw/zinc/30/25/11/279302511.db2.gz AOMBAKRDTOAQHG-LLVKDONJSA-N 0 3 307.354 1.986 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]2)c1C ZINC000178921606 281015669 /nfs/dbraw/zinc/01/56/69/281015669.db2.gz ZZASWNVSNGFTMR-NSHDSACASA-N 0 3 313.379 1.242 20 5 DDBDHN Cc1c(CC(=O)NC[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000121834808 281145301 /nfs/dbraw/zinc/14/53/01/281145301.db2.gz DCRGXJORCLALAC-ZDUSSCGKSA-N 0 3 305.378 1.904 20 5 DDBDHN CN(C)CCN(C(=O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000356900920 298905545 /nfs/dbraw/zinc/90/55/45/298905545.db2.gz WKEDMOGGDHDUJK-UHFFFAOYSA-N 0 3 307.350 1.526 20 5 DDBDHN COCCO[C@@H]1COCC[C@@H]1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000362508951 300081621 /nfs/dbraw/zinc/08/16/21/300081621.db2.gz ZQEHAFUPHCCDMX-GOEBONIOSA-N 0 3 324.377 1.813 20 5 DDBDHN CN(CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000362617466 300106758 /nfs/dbraw/zinc/10/67/58/300106758.db2.gz NQHLUOGPHCCHHR-UHFFFAOYSA-N 0 3 313.304 1.626 20 5 DDBDHN CC(C)CN1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000363884074 300320642 /nfs/dbraw/zinc/32/06/42/300320642.db2.gz FLBPBQYMDUHEMA-UHFFFAOYSA-N 0 3 321.381 1.376 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](OCC3CC3)C2)c1 ZINC000364451248 300399131 /nfs/dbraw/zinc/39/91/31/300399131.db2.gz XOMNTTZCINUWGM-HUUCEWRRSA-N 0 3 324.381 1.043 20 5 DDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000368384479 301016003 /nfs/dbraw/zinc/01/60/03/301016003.db2.gz JEMIPTKXJWQCLO-IUCAKERBSA-N 0 3 301.705 1.678 20 5 DDBDHN CN1CCC(C(=O)N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000368410323 301021617 /nfs/dbraw/zinc/02/16/17/301021617.db2.gz BBWRPWMVTCECQF-ZDUSSCGKSA-N 0 3 321.381 1.297 20 5 DDBDHN O=[N+]([O-])c1ccccc1N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000369349459 301169698 /nfs/dbraw/zinc/16/96/98/301169698.db2.gz YQKXCEHRKWQMKS-CQSZACIVSA-N 0 3 320.393 1.413 20 5 DDBDHN Cc1nc(C)n(C[C@@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000370024584 301260569 /nfs/dbraw/zinc/26/05/69/301260569.db2.gz ABXQYBUCKAMLMG-ZDUSSCGKSA-N 0 3 319.369 1.164 20 5 DDBDHN Cc1cnn(C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000370030481 301261733 /nfs/dbraw/zinc/26/17/33/301261733.db2.gz WJTXLNIPEDMMEG-UHFFFAOYSA-N 0 3 304.354 1.633 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]2COC[C@H]21 ZINC000370223568 301297820 /nfs/dbraw/zinc/29/78/20/301297820.db2.gz DHGZITCHKUVJBV-GZBFAFLISA-N 0 3 322.361 1.445 20 5 DDBDHN C[C@@]1(F)CNCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000420334526 302382397 /nfs/dbraw/zinc/38/23/97/302382397.db2.gz OTBLACNJMKUZDB-CQSZACIVSA-N 0 3 308.313 1.869 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC2(c3ccc(F)cc3)CC2)c1 ZINC000440293011 302389900 /nfs/dbraw/zinc/38/99/00/302389900.db2.gz OUEZLNWKODQOAF-CQSZACIVSA-N 0 3 320.324 1.570 20 5 DDBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1N(C)C ZINC000535729415 303350013 /nfs/dbraw/zinc/35/00/13/303350013.db2.gz WIXVJABSVVLKLZ-NEPJUHHUSA-N 0 3 310.379 1.107 20 5 DDBDHN COC(=O)[C@H]1CCCCCC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000360486059 306983173 /nfs/dbraw/zinc/98/31/73/306983173.db2.gz VNAHHKCNJWEYHE-NWDGAFQWSA-N 0 3 324.381 1.930 20 5 DDBDHN Cc1ccc(CN2CCCN([C@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000364973908 307055529 /nfs/dbraw/zinc/05/55/29/307055529.db2.gz NNDRYDBWCUCALX-CQSZACIVSA-N 0 3 307.394 1.792 20 5 DDBDHN N=C(NO)[C@@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000376084794 307238008 /nfs/dbraw/zinc/23/80/08/307238008.db2.gz QUGKJQIRZWOVHN-ZDUSSCGKSA-N 0 3 308.338 1.784 20 5 DDBDHN C[C@@H]1NC(=O)N(CCN(C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000459464523 307307473 /nfs/dbraw/zinc/30/74/73/307307473.db2.gz NJBXMIHBROHPPU-NSHDSACASA-N 0 3 320.349 1.009 20 5 DDBDHN C[C@@H]1[C@H](CO)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000488736784 484217674 /nfs/dbraw/zinc/21/76/74/484217674.db2.gz QYWDMGOFQQFENW-AGIUHOORSA-N 0 3 310.350 1.037 20 5 DDBDHN CC1(C)[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000296177539 490729047 /nfs/dbraw/zinc/72/90/47/490729047.db2.gz LFUOTXCCEZNVNU-BNOWGMLFSA-N 0 3 319.361 1.597 20 5 DDBDHN COC(=O)c1cc(NC(=O)[C@@H]2C[C@@H](C)CCN2)cc([N+](=O)[O-])c1 ZINC000422998209 533883349 /nfs/dbraw/zinc/88/33/49/533883349.db2.gz CPCBBABHLKBHEW-ZANVPECISA-N 0 3 321.333 1.708 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000330897378 534104721 /nfs/dbraw/zinc/10/47/21/534104721.db2.gz HLLLYKIXJRLJSP-RYUDHWBXSA-N 0 3 307.350 1.573 20 5 DDBDHN O=C(NCCN1CCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413059796 534327753 /nfs/dbraw/zinc/32/77/53/534327753.db2.gz HDVVXUZGARIGKI-LSDHHAIUSA-N 0 3 303.362 1.910 20 5 DDBDHN CCOC(=O)[C@H]1NCC[C@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000422747686 528093046 /nfs/dbraw/zinc/09/30/46/528093046.db2.gz ZJJNHARPLCVGQU-KGLIPLIRSA-N 0 3 307.350 1.021 20 5 DDBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000330930553 529091237 /nfs/dbraw/zinc/09/12/37/529091237.db2.gz PRPHRYSDOXCDLX-DGCLKSJQSA-N 0 3 323.397 1.371 20 5 DDBDHN CN(CC[NH+]1CCCC1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736798651 598672527 /nfs/dbraw/zinc/67/25/27/598672527.db2.gz DVKHBHYBIPUZAY-UHFFFAOYSA-N 0 3 317.353 1.307 20 5 DDBDHN CN(C[C@H]1CC[N@@H+](C)C1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736847355 598797454 /nfs/dbraw/zinc/79/74/54/598797454.db2.gz GQTAKSLIKUUFFT-JTQLQIEISA-N 0 3 317.353 1.163 20 5 DDBDHN CN(C[C@H]1CC[N@H+](C)C1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736847355 598797451 /nfs/dbraw/zinc/79/74/51/598797451.db2.gz GQTAKSLIKUUFFT-JTQLQIEISA-N 0 3 317.353 1.163 20 5 DDBDHN CN(C[C@H]1CC[N@@H+](C)C1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736847355 598797452 /nfs/dbraw/zinc/79/74/52/598797452.db2.gz GQTAKSLIKUUFFT-JTQLQIEISA-N 0 3 317.353 1.163 20 5 DDBDHN CN(C[C@H]1CC[N@H+](C)C1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736847355 598797453 /nfs/dbraw/zinc/79/74/53/598797453.db2.gz GQTAKSLIKUUFFT-JTQLQIEISA-N 0 3 317.353 1.163 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2noc(C[C@@H]3CSCCN3)n2)cc1 ZINC000091128912 696585957 /nfs/dbraw/zinc/58/59/57/696585957.db2.gz SIZHONXOBFNRIL-SNVBAGLBSA-N 0 3 306.347 1.892 20 5 DDBDHN O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@@H](N3CC=CC3)C2)c1 ZINC000172932819 697373415 /nfs/dbraw/zinc/37/34/15/697373415.db2.gz ZUBIRGULHUCHQP-OAHLLOKOSA-N 0 3 313.361 1.848 20 5 DDBDHN CN(Cc1nccs1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430661 697510008 /nfs/dbraw/zinc/51/00/08/697510008.db2.gz HMOXFPUZEQRWSJ-VXGBXAGGSA-N 0 3 324.406 1.231 20 5 DDBDHN Cc1cc(C(=O)NCCN2CCC[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000773195911 697726477 /nfs/dbraw/zinc/72/64/77/697726477.db2.gz BZXFWLJCBHRVEO-LLVKDONJSA-N 0 3 306.366 1.700 20 5 DDBDHN CC(C)N1CCO[C@H](C(=N)NOCc2cccc([N+](=O)[O-])c2)C1 ZINC000779648749 698448233 /nfs/dbraw/zinc/44/82/33/698448233.db2.gz GGICMERNCUHXLV-AWEZNQCLSA-N 0 3 322.365 1.702 20 5 DDBDHN C[C@H](CN1CCOCC1)N(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000789334032 699377747 /nfs/dbraw/zinc/37/77/47/699377747.db2.gz FUTRFFVAIWCMTP-CJNGLKHVSA-N 0 3 323.393 1.281 20 5 DDBDHN CS[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000759277647 700744581 /nfs/dbraw/zinc/74/45/81/700744581.db2.gz HLVMYFWOYRETPI-WDEREUQCSA-N 0 3 321.406 1.724 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC3(CC2)OCCCO3)cc1 ZINC000815155454 701817426 /nfs/dbraw/zinc/81/74/26/701817426.db2.gz PSGNMDMGLAJNMH-HNNXBMFYSA-N 0 3 322.361 1.857 20 5 DDBDHN CC(=O)[C@H]1CC(C(=O)OCC(C)[N+](=O)[O-])=NN1c1ccccc1 ZINC000813105168 702293018 /nfs/dbraw/zinc/29/30/18/702293018.db2.gz WMROVKVWZHRNQE-QMTHXVAHSA-N 0 3 319.317 1.419 20 5 DDBDHN CC(COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C)[N+](=O)[O-] ZINC000813109849 702296280 /nfs/dbraw/zinc/29/62/80/702296280.db2.gz POZPATPCBNFQOY-ZJUUUORDSA-N 0 3 316.354 1.840 20 5 DDBDHN Cc1nn(C2CCOCC2)c(C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000851036342 703774994 /nfs/dbraw/zinc/77/49/94/703774994.db2.gz HMJGZOGRAFKIAX-VIFPVBQESA-N 0 3 311.338 1.673 20 5 DDBDHN Cc1nn(CN(C)CC2CN(C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000853553684 704267330 /nfs/dbraw/zinc/26/73/30/704267330.db2.gz RVEODVHMLVNSRC-UHFFFAOYSA-N 0 3 303.366 1.704 20 5 DDBDHN CN(CCO)CCN(C)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000825526991 705687865 /nfs/dbraw/zinc/68/78/65/705687865.db2.gz KVCMCOYSMUXBHL-CABCVRRESA-N 0 3 321.377 1.081 20 5 DDBDHN C[C@@]1(C(F)(F)F)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000880001600 706850189 /nfs/dbraw/zinc/85/01/89/706850189.db2.gz RCJQICRFJDBYKI-WDEREUQCSA-N 0 3 322.287 1.427 20 5 DDBDHN CN1CCC[C@@H]2[C@@H]1CCN2c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000872778802 707596821 /nfs/dbraw/zinc/59/68/21/707596821.db2.gz BWLWHGHHTQWBSK-NWDGAFQWSA-N 0 3 304.350 1.367 20 5 DDBDHN Cc1nc(N2CC[C@H]3[C@H]2CCCN3CCO)ccc1[N+](=O)[O-] ZINC000897221121 708258799 /nfs/dbraw/zinc/25/87/99/708258799.db2.gz HLOXKMMTJRIJSF-UONOGXRCSA-N 0 3 306.366 1.334 20 5 DDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCC2)C1 ZINC000912914490 713122500 /nfs/dbraw/zinc/12/25/00/713122500.db2.gz BHMPVTYMQDBCAY-HNNXBMFYSA-N 0 3 303.362 1.834 20 5 DDBDHN Cc1ccc(CNC(=O)N2C[C@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000892536848 710454199 /nfs/dbraw/zinc/45/41/99/710454199.db2.gz KYVIOIKRKDIZJU-RYUDHWBXSA-N 0 3 306.366 1.795 20 5 DDBDHN COc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000928431794 713192941 /nfs/dbraw/zinc/19/29/41/713192941.db2.gz HAPXCSUVRZWZBK-GZMMTYOYSA-N 0 3 311.313 1.565 20 5 DDBDHN CN1CCC(N(CCO)C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000911939486 711079085 /nfs/dbraw/zinc/07/90/85/711079085.db2.gz UQTKWEAIDVKCAR-UHFFFAOYSA-N 0 3 321.377 1.052 20 5 DDBDHN C[C@H]1[C@@H](Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CCN1C ZINC000895737460 711590869 /nfs/dbraw/zinc/59/08/69/711590869.db2.gz VRHXZQUCZAELLD-UWVGGRQHSA-N 0 3 319.365 1.290 20 5 DDBDHN COC(=O)Cc1ccc(N[C@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000895738496 711591180 /nfs/dbraw/zinc/59/11/80/711591180.db2.gz WTPHQFJXUIMQHK-PWSUYJOCSA-N 0 3 307.350 1.815 20 5 DDBDHN O=[N+]([O-])CCN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000930849528 713937066 /nfs/dbraw/zinc/93/70/66/713937066.db2.gz NISJLVXVZGMSAN-HZPDHXFCSA-N 0 3 305.378 1.238 20 5 DDBDHN CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)CN1CCCC1 ZINC001106777111 746059262 /nfs/dbraw/zinc/05/92/62/746059262.db2.gz KQHFLGKVVZXFBA-UHFFFAOYSA-N 0 3 320.393 1.951 20 5 DDBDHN Cc1cccnc1N1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007691 762176138 /nfs/dbraw/zinc/17/61/38/762176138.db2.gz PIQYGCIGWSFKDT-CABCVRRESA-N 0 3 304.394 1.957 20 5 DDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(CCc3ccncc3)CC2)C1 ZINC001169030246 762186215 /nfs/dbraw/zinc/18/62/15/762186215.db2.gz XHQLMKDKPBVSFI-SJORKVTESA-N 0 3 318.421 1.687 20 5 DDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CC[C@@H](N3CCOCC3)[C@@H](F)C2)C1 ZINC001169055293 762210109 /nfs/dbraw/zinc/21/01/09/762210109.db2.gz PBRGGDSERKFASP-LJISPDSOSA-N 0 3 315.389 1.176 20 5 DDBDHN COCC1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001131310988 767984389 /nfs/dbraw/zinc/98/43/89/767984389.db2.gz KDNDRRXMAMARNY-UHFFFAOYSA-N 0 3 307.350 1.227 20 5 DDBDHN COC(=O)c1cc(N[C@@H](C)[C@H]2CNCCO2)cc([N+](=O)[O-])c1 ZINC001170568805 768180922 /nfs/dbraw/zinc/18/09/22/768180922.db2.gz HMUPSJRCDAZYLG-TVQRCGJNSA-N 0 3 309.322 1.170 20 5 DDBDHN COc1ccc(C[C@@H](C)N[C@H]2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC001170309243 766259446 /nfs/dbraw/zinc/25/94/46/766259446.db2.gz PRITZRMRJBUJGE-MFKMUULPSA-N 0 3 307.350 1.355 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1(C2CC2)CC1 ZINC001130017231 767135591 /nfs/dbraw/zinc/13/55/91/767135591.db2.gz XZNCMEOBJZWFFC-UHFFFAOYSA-N 0 3 303.362 1.991 20 5 DDBDHN CCN(CC)CC(=O)NCCN(CC)c1ccccc1[N+](=O)[O-] ZINC001100543239 776289312 /nfs/dbraw/zinc/28/93/12/776289312.db2.gz XGCXOQSXEVTTJE-UHFFFAOYSA-N 0 3 322.409 1.879 20 5 DDBDHN C[C@@]1(CO)CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001116361044 780500349 /nfs/dbraw/zinc/50/03/49/780500349.db2.gz FCCJVVVFSCJCGP-GDBMZVCRSA-N 0 3 324.377 1.429 20 5 DDBDHN CN1CCN(C2CCN(c3ccncc3[N+](=O)[O-])CC2)CC1 ZINC001118991997 781292600 /nfs/dbraw/zinc/29/26/00/781292600.db2.gz VSWXBYUIONZJQD-UHFFFAOYSA-N 0 3 305.382 1.206 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CCN1C1CCOCC1 ZINC001119977757 781703527 /nfs/dbraw/zinc/70/35/27/781703527.db2.gz SPEDRLQKIIRGGA-ZDUSSCGKSA-N 0 3 306.366 1.385 20 5 DDBDHN NCc1cn(-c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)cn1 ZINC001154910993 861565893 /nfs/dbraw/zinc/56/58/93/861565893.db2.gz TXDAIEMBIJOUNQ-UHFFFAOYSA-N 0 3 304.697 1.836 20 5 DDBDHN CC/C=C(/C)C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001155293234 861939277 /nfs/dbraw/zinc/93/92/77/861939277.db2.gz ZELPUUMNQLALDZ-WDZFZDKYSA-N 0 3 309.370 1.281 20 5 DDBDHN Cc1ccncc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125185371 859915267 /nfs/dbraw/zinc/91/52/67/859915267.db2.gz ZCOVCKUYDBLDEF-UHFFFAOYSA-N 0 3 314.345 1.818 20 5 DDBDHN COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCCN(C)[C@@H]3C2)n1 ZINC001157263713 863690429 /nfs/dbraw/zinc/69/04/29/863690429.db2.gz BLGDZVAIBDNVEI-WDEREUQCSA-N 0 3 307.354 1.232 20 5 DDBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CCN(C2CC2)C1 ZINC001330658557 864516122 /nfs/dbraw/zinc/51/61/22/864516122.db2.gz DKZOSLDVXNCRPZ-NSHDSACASA-N 0 3 318.377 1.733 20 5 DDBDHN CCOC(=O)c1ccnc(N2CCNC3(CC3)C2)c1[N+](=O)[O-] ZINC001158944261 864986574 /nfs/dbraw/zinc/98/65/74/864986574.db2.gz JZNCISSMVPQQHO-UHFFFAOYSA-N 0 3 306.322 1.109 20 5 DDBDHN C[C@@H](Nc1cnc2cc([N+](=O)[O-])ccc2n1)[C@@H]1CNCCO1 ZINC001159495086 865345542 /nfs/dbraw/zinc/34/55/42/865345542.db2.gz CLQCOKRGAPASJU-RNCFNFMXSA-N 0 3 303.322 1.327 20 5 DDBDHN Cc1nn(CN2CCN(C)C(C)(C)C2)c2ncc([N+](=O)[O-])cc12 ZINC001333313508 866623140 /nfs/dbraw/zinc/62/31/40/866623140.db2.gz OEKCXIDGCYDGAM-UHFFFAOYSA-N 0 3 318.381 1.631 20 5 DDBDHN CCN(CCNCc1nc(C)cs1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001320735143 866991869 /nfs/dbraw/zinc/99/18/69/866991869.db2.gz TZYVCKSXEAVUCP-GHMZBOCLSA-N 0 3 312.395 1.055 20 5 DDBDHN Cc1c[n+]([O-])c(-n2c3ccccc3nc2[C@@H](C)N)cc1[N+](=O)[O-] ZINC001162757519 867803841 /nfs/dbraw/zinc/80/38/41/867803841.db2.gz AHBQPYYIKBPHTL-SNVBAGLBSA-N 0 3 313.317 1.895 20 5 DDBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1cnco1 ZINC001163529136 868511132 /nfs/dbraw/zinc/51/11/32/868511132.db2.gz RWXOSSWYSCIZNC-UHFFFAOYSA-N 0 3 310.335 1.554 20 5 DDBDHN COC(=O)c1c(C)c([N+](=O)[O-])ccc1-n1nc(CN)cc1C ZINC001163988639 868850714 /nfs/dbraw/zinc/85/07/14/868850714.db2.gz QWJRATNCIQUOST-UHFFFAOYSA-N 0 3 304.306 1.643 20 5 DDBDHN CN1CCCC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001339923683 870787619 /nfs/dbraw/zinc/78/76/19/870787619.db2.gz WHIIBYKAXPFHKS-CQSZACIVSA-N 0 3 306.366 1.878 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@@H]2CN(CC)CC2(C)C)c1[N+](=O)[O-] ZINC001304042443 871181273 /nfs/dbraw/zinc/18/12/73/871181273.db2.gz JHGTVMOMFHWSQH-LLVKDONJSA-N 0 3 323.397 1.731 20 5 DDBDHN COc1ccc(NC(=O)CCN2CC=C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001308033122 871462566 /nfs/dbraw/zinc/46/25/66/871462566.db2.gz LMKWLZUHFXJTMY-LLVKDONJSA-N 0 3 321.333 1.165 20 5 DDBDHN CCS(=O)(=O)Nc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC001344448265 873008779 /nfs/dbraw/zinc/00/87/79/873008779.db2.gz NYKSZWXVMCPHAR-VIFPVBQESA-N 0 3 316.335 1.270 20 5 DDBDHN COc1ccc(NC(=O)N2CCN3CC[C@H]2C3)cc1[N+](=O)[O-] ZINC001345276012 873332472 /nfs/dbraw/zinc/33/24/72/873332472.db2.gz UWVXAJFSSKBALG-NSHDSACASA-N 0 3 306.322 1.525 20 5 DDBDHN CN(C)CCONC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001351001326 876007901 /nfs/dbraw/zinc/00/79/01/876007901.db2.gz MLPMYFKCWAZBAI-UHFFFAOYSA-N 0 3 319.264 1.419 20 5 DDBDHN O=C(Nc1cc2cccnc2c2ncccc12)[C@H]1CNCCN1 ZINC001218980170 877851754 /nfs/dbraw/zinc/85/17/54/877851754.db2.gz VHTXEQBHJSZFNO-CQSZACIVSA-N 0 3 307.357 1.283 20 5 DDBDHN OC[C@H]1CN(Cc2ccc3ccc4cccnc4c3n2)CC[C@H]1O ZINC001232218316 886166563 /nfs/dbraw/zinc/16/65/63/886166563.db2.gz FUPHJKIPJQJFDN-NVXWUHKLSA-N 0 3 323.396 1.958 20 5 DDBDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(CC[N+](=O)[O-])C[C@H]21 ZINC001262256057 900055815 /nfs/dbraw/zinc/05/58/15/900055815.db2.gz DYEHYZDGVASTLZ-YNEHKIRRSA-N 0 3 313.398 1.888 20 5 DDBDHN COCC(=O)N(C)CCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001280776391 904017994 /nfs/dbraw/zinc/01/79/94/904017994.db2.gz IVBWFTKYIKNVOH-UHFFFAOYSA-N 0 3 309.366 1.522 20 5 DDBDHN C[C@@H](NC1CC1)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000449124476 230581556 /nfs/dbraw/zinc/58/15/56/230581556.db2.gz GMNIKAIVZHQXSM-PWSUYJOCSA-N 0 3 319.365 1.143 20 5 DDBDHN COC[C@@]1(CO)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000451920287 231232369 /nfs/dbraw/zinc/23/23/69/231232369.db2.gz ADTAKRRHYNJMLT-HNNXBMFYSA-N 0 3 310.350 1.304 20 5 DDBDHN CC[C@H](C)N1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000451844807 529700557 /nfs/dbraw/zinc/70/05/57/529700557.db2.gz PDAGYUYPHJVUJA-ZDUSSCGKSA-N 0 3 320.393 1.949 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCN1C ZINC000330889571 232139892 /nfs/dbraw/zinc/13/98/92/232139892.db2.gz BMNRAYCQQARCQI-WDEREUQCSA-N 0 3 309.370 1.125 20 5 DDBDHN CC1(C)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000279755236 215119219 /nfs/dbraw/zinc/11/92/19/215119219.db2.gz LUQYLYLCXHMVLE-BXUZGUMPSA-N 0 3 310.350 1.037 20 5 DDBDHN C[C@H](CN1CCOCC1)N(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000279785214 215143774 /nfs/dbraw/zinc/14/37/74/215143774.db2.gz UWXOSIBUIBNCBP-CZUORRHYSA-N 0 3 323.393 1.281 20 5 DDBDHN CCN1CCC(N(Cc2c([N+](=O)[O-])ncn2C)C2CC2)CC1 ZINC000367581106 307098257 /nfs/dbraw/zinc/09/82/57/307098257.db2.gz CZXZLRMGWJFMFD-UHFFFAOYSA-N 0 3 307.398 1.777 20 5 DDBDHN CC(C)N1CCC(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000280061067 215347466 /nfs/dbraw/zinc/34/74/66/215347466.db2.gz ZCZYLJUITBEDEH-LBPRGKRZSA-N 0 3 312.347 1.378 20 5 DDBDHN COc1cc(OCC(=O)N[C@@H](C)CN(C)C)ccc1[N+](=O)[O-] ZINC000287229127 219393481 /nfs/dbraw/zinc/39/34/81/219393481.db2.gz PDTYBDYVCSCXQZ-JTQLQIEISA-N 0 3 311.338 1.049 20 5 DDBDHN C[C@H](CN1CCCCC1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000027767089 352222361 /nfs/dbraw/zinc/22/23/61/352222361.db2.gz MVIRACPFGBLFOJ-CYBMUJFWSA-N 0 3 321.377 1.964 20 5 DDBDHN CCN1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000029606276 352241808 /nfs/dbraw/zinc/24/18/08/352241808.db2.gz YSGBOGFAOHRREI-UHFFFAOYSA-N 0 3 307.350 1.574 20 5 DDBDHN CNc1ccc(C(=O)NC[C@H](C)N2CCCC2)cc1[N+](=O)[O-] ZINC000046408843 352451918 /nfs/dbraw/zinc/45/19/18/352451918.db2.gz JRPUCFHLRTWXDO-NSHDSACASA-N 0 3 306.366 1.851 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000358535549 299190685 /nfs/dbraw/zinc/19/06/85/299190685.db2.gz XFPUTYGKXKDZGB-NSHDSACASA-N 0 3 324.385 1.088 20 5 DDBDHN CC1CCN(CCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000067709724 353063598 /nfs/dbraw/zinc/06/35/98/353063598.db2.gz HYDQQHMNHRPUKO-UHFFFAOYSA-N 0 3 320.393 1.855 20 5 DDBDHN CCN1CCN(C[C@H](C)CNc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078632332 353526007 /nfs/dbraw/zinc/52/60/07/353526007.db2.gz NUZWKKBGCFDBRE-CQSZACIVSA-N 0 3 321.425 1.984 20 5 DDBDHN COC1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000080376707 353604583 /nfs/dbraw/zinc/60/45/83/353604583.db2.gz WTIKZJZFTIOPMA-UHFFFAOYSA-N 0 3 322.365 1.827 20 5 DDBDHN CO[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000276850932 354413674 /nfs/dbraw/zinc/41/36/74/354413674.db2.gz IWDFCUYDRCCQGQ-GASCZTMLSA-N 0 3 310.350 1.709 20 5 DDBDHN CC(C)NCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000316123885 354499709 /nfs/dbraw/zinc/49/97/09/354499709.db2.gz OTDGFQAONPMBCE-UHFFFAOYSA-N 0 3 306.366 1.241 20 5 DDBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H](C)C1 ZINC000346216131 283032533 /nfs/dbraw/zinc/03/25/33/283032533.db2.gz IAARIYJUMISKAV-MJVIPROJSA-N 0 3 306.366 1.725 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCO[C@H]1C1CC1 ZINC000494470547 235039404 /nfs/dbraw/zinc/03/94/04/235039404.db2.gz FWWWWMUBQGVYTM-WBMJQRKESA-N 0 3 319.361 1.999 20 5 DDBDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590402431 355085418 /nfs/dbraw/zinc/08/54/18/355085418.db2.gz UDGVNVRIDJSCJA-GJZGRUSLSA-N 0 3 319.361 1.530 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000590446399 355099688 /nfs/dbraw/zinc/09/96/88/355099688.db2.gz TVSMNOSSPTXYPE-ZANVPECISA-N 0 3 315.333 1.247 20 5 DDBDHN C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000590452372 355100767 /nfs/dbraw/zinc/10/07/67/355100767.db2.gz BNIRHWZXANYHLC-JTQLQIEISA-N 0 3 307.354 1.264 20 5 DDBDHN CC1(C)CN[C@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000592144799 355510643 /nfs/dbraw/zinc/51/06/43/355510643.db2.gz IXTKPTLXCYDJJQ-MFKMUULPSA-N 0 3 319.365 1.001 20 5 DDBDHN O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594081515 356107832 /nfs/dbraw/zinc/10/78/32/356107832.db2.gz OFPMLORGBRPJLP-AAEUAGOBSA-N 0 3 319.365 1.550 20 5 DDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594198078 356136680 /nfs/dbraw/zinc/13/66/80/356136680.db2.gz CXFPOGWXZNSHNF-KBPBESRZSA-N 0 3 321.381 1.315 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594200419 356137979 /nfs/dbraw/zinc/13/79/79/356137979.db2.gz LVXPZTJKPOFQEM-RYUDHWBXSA-N 0 3 321.381 1.383 20 5 DDBDHN C[C@@H](NC[C@@]1(OCCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595078206 356378791 /nfs/dbraw/zinc/37/87/91/356378791.db2.gz MVYXKAKWNRVNLJ-DOMZBBRYSA-N 0 3 310.350 1.413 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCCN2CCC(CO)(CO)C2)cc1 ZINC000595800933 356655777 /nfs/dbraw/zinc/65/57/77/356655777.db2.gz UHAOCJGEKYBMMB-UHFFFAOYSA-N 0 3 310.350 1.040 20 5 DDBDHN CN(CC1=CCSC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595888446 356692389 /nfs/dbraw/zinc/69/23/89/356692389.db2.gz MCQQTXVCSRJBFU-ZDUSSCGKSA-N 0 3 324.402 1.940 20 5 DDBDHN CN(CC1=CCSC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595895043 356695210 /nfs/dbraw/zinc/69/52/10/356695210.db2.gz BQKPATCKCHCKRL-CQSZACIVSA-N 0 3 324.402 1.940 20 5 DDBDHN CCOc1cc(CN(C)CC2(O)CCOCC2)ccc1[N+](=O)[O-] ZINC000276917586 213174617 /nfs/dbraw/zinc/17/46/17/213174617.db2.gz ONOPQNNQVYSDNF-UHFFFAOYSA-N 0 3 324.377 1.967 20 5 DDBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000596074615 356763274 /nfs/dbraw/zinc/76/32/74/356763274.db2.gz VXSLRNNZDFPICU-UHFFFAOYSA-N 0 3 308.382 1.653 20 5 DDBDHN COCc1cc([N+](=O)[O-])ccc1NCCCN1CCC(O)CC1 ZINC000596084566 356766791 /nfs/dbraw/zinc/76/67/91/356766791.db2.gz BUAYKNZNAUJGSN-UHFFFAOYSA-N 0 3 323.393 2.000 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCC[C@@H]1CCO ZINC000348148538 283390931 /nfs/dbraw/zinc/39/09/31/283390931.db2.gz IRLIDDZPLAYBJJ-OLZOCXBDSA-N 0 3 321.377 1.982 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000602795885 359197451 /nfs/dbraw/zinc/19/74/51/359197451.db2.gz BYAGAKDJUMSECD-QWHCGFSZSA-N 0 3 321.381 1.090 20 5 DDBDHN CNC(=O)CC[C@H]1CCCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602825506 359219580 /nfs/dbraw/zinc/21/95/80/359219580.db2.gz CFQVTGNSUBDLGZ-CYBMUJFWSA-N 0 3 323.397 1.480 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(CCF)CC2)c1 ZINC000602948730 359315650 /nfs/dbraw/zinc/31/56/50/359315650.db2.gz DRCNYXFTRFWNFA-ZDUSSCGKSA-N 0 3 300.334 1.224 20 5 DDBDHN Cc1c(NC(=O)CCN2C[C@H]3C[C@@]3(O)C2)cccc1[N+](=O)[O-] ZINC000603092733 359397607 /nfs/dbraw/zinc/39/76/07/359397607.db2.gz YYXJFDPNFUAGRE-IAQYHMDHSA-N 0 3 305.334 1.298 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1Cn1cc(CCN(C)C)nn1 ZINC000603243352 359510193 /nfs/dbraw/zinc/51/01/93/359510193.db2.gz LDAVWLBYKUTQLF-UHFFFAOYSA-N 0 3 305.338 1.347 20 5 DDBDHN CN(C)CCc1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000603217485 359488444 /nfs/dbraw/zinc/48/84/44/359488444.db2.gz ZXYRPGSALMWOHL-UHFFFAOYSA-N 0 3 309.757 1.992 20 5 DDBDHN CCN1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000611088152 360619797 /nfs/dbraw/zinc/61/97/97/360619797.db2.gz FRUKRSVEBPPYHP-SNVBAGLBSA-N 0 3 317.349 1.637 20 5 DDBDHN O=[N+]([O-])c1ccc2ncnc(N3CC[C@H](N4CC=CC4)C3)c2c1 ZINC000611708866 360800931 /nfs/dbraw/zinc/80/09/31/360800931.db2.gz ROZKMRBWJNAJIK-ZDUSSCGKSA-N 0 3 311.345 1.989 20 5 DDBDHN Cc1ccncc1[C@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000611939628 360863046 /nfs/dbraw/zinc/86/30/46/360863046.db2.gz SAIPGHGIPLZEJM-WCQYABFASA-N 0 3 305.338 1.206 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCC2=CCN(C)CC2)c1 ZINC000271902338 209310109 /nfs/dbraw/zinc/31/01/09/209310109.db2.gz GVXIXURLAKOTEI-UHFFFAOYSA-N 0 3 305.334 1.595 20 5 DDBDHN COC(=O)[C@H]1CCCCCC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000360486061 306983128 /nfs/dbraw/zinc/98/31/28/306983128.db2.gz VNAHHKCNJWEYHE-RYUDHWBXSA-N 0 3 324.381 1.930 20 5 DDBDHN COCCNCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000262102400 203199894 /nfs/dbraw/zinc/19/98/94/203199894.db2.gz IXCVAZMIJWSLNQ-UHFFFAOYSA-N 0 3 309.366 1.225 20 5 DDBDHN C[C@H](c1ccc(F)cc1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266416826 205331075 /nfs/dbraw/zinc/33/10/75/205331075.db2.gz HORHLHQYLUZQQV-IAQYHMDHSA-N 0 3 322.340 1.984 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1CC[NH2+]CC1 ZINC000021511265 182276356 /nfs/dbraw/zinc/27/63/56/182276356.db2.gz VISGATKXMGJPIQ-UHFFFAOYSA-N 0 3 319.770 1.279 20 5 DDBDHN CCN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000041873580 183223427 /nfs/dbraw/zinc/22/34/27/183223427.db2.gz XOFANOYLFLYHNF-UHFFFAOYSA-N 0 3 320.393 1.869 20 5 DDBDHN CC(C)OCCN1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000339011926 250248299 /nfs/dbraw/zinc/24/82/99/250248299.db2.gz BGHPCKXNBWPAQY-UHFFFAOYSA-N 0 3 311.386 1.630 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](N(C)C)C1 ZINC000109808333 194288202 /nfs/dbraw/zinc/28/82/02/194288202.db2.gz ZKNOSRGXCDIFNC-AWEZNQCLSA-N 0 3 320.393 1.868 20 5 DDBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2)C1 ZINC000066190716 184395750 /nfs/dbraw/zinc/39/57/50/184395750.db2.gz UTSNNXHARBNPSV-OAHLLOKOSA-N 0 3 318.377 1.975 20 5 DDBDHN C[C@H](NC[C@@H](O)c1cnn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294640340 224136742 /nfs/dbraw/zinc/13/67/42/224136742.db2.gz GHIQXAKNWXQHQZ-LKFCYVNXSA-N 0 3 305.338 1.295 20 5 DDBDHN CCS(=O)(=O)CCCNCc1ccc([N+](=O)[O-])cc1C ZINC000414540524 224350862 /nfs/dbraw/zinc/35/08/62/224350862.db2.gz GPDHEJGSGNBFLK-UHFFFAOYSA-N 0 3 300.380 1.818 20 5 DDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451629619 533327503 /nfs/dbraw/zinc/32/75/03/533327503.db2.gz KJAULPFUSAKPPH-SLEUVZQESA-N 0 3 318.377 1.558 20 5 DDBDHN COc1cccc(C(=O)NCC2(N(C)C)CCC2)c1[N+](=O)[O-] ZINC000444377901 286443672 /nfs/dbraw/zinc/44/36/72/286443672.db2.gz ZELUEMKLLCYPLB-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN CCN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2NC)CC1 ZINC000361120925 299804021 /nfs/dbraw/zinc/80/40/21/299804021.db2.gz FDQDEWXDABKXLU-UHFFFAOYSA-N 0 3 306.366 1.851 20 5 DDBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000038286905 407000295 /nfs/dbraw/zinc/00/02/95/407000295.db2.gz LYUHTPHPBSOUMN-LLVKDONJSA-N 0 3 315.395 1.603 20 5 DDBDHN O=C1NCCN1C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000053285654 407166844 /nfs/dbraw/zinc/16/68/44/407166844.db2.gz YJKKVGKPLLHEFW-UHFFFAOYSA-N 0 3 318.377 1.627 20 5 DDBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000107263395 407371824 /nfs/dbraw/zinc/37/18/24/407371824.db2.gz REKANCUFXSTWOG-UHFFFAOYSA-N 0 3 318.333 1.787 20 5 DDBDHN CN(C)CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000112915824 407445887 /nfs/dbraw/zinc/44/58/87/407445887.db2.gz PENWSOKRPWNFQE-UHFFFAOYSA-N 0 3 309.370 1.124 20 5 DDBDHN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCOC1 ZINC000128579517 407552338 /nfs/dbraw/zinc/55/23/38/407552338.db2.gz XRYLBFMZEALRGU-NSHDSACASA-N 0 3 311.313 1.783 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266758726 407626065 /nfs/dbraw/zinc/62/60/65/407626065.db2.gz GUPCUFICYSYZNT-CQSZACIVSA-N 0 3 320.393 1.921 20 5 DDBDHN CN1CCC(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000129908422 407632853 /nfs/dbraw/zinc/63/28/53/407632853.db2.gz UOURSPDERUMPJW-UHFFFAOYSA-N 0 3 302.334 1.900 20 5 DDBDHN CN1CCC(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000266960684 407691892 /nfs/dbraw/zinc/69/18/92/407691892.db2.gz WBQSOYUKAJNMTA-UHFFFAOYSA-N 0 3 302.334 1.900 20 5 DDBDHN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN2CCC[C@H]2C1 ZINC000171584489 407711505 /nfs/dbraw/zinc/71/15/05/407711505.db2.gz NBTVRIHNBQAFBW-NPQIQWPPSA-N 0 3 301.346 1.915 20 5 DDBDHN CN(CCN(C)C1CC1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000186779784 407769345 /nfs/dbraw/zinc/76/93/45/407769345.db2.gz ZSQVKANIAPZPIT-UHFFFAOYSA-N 0 3 320.393 1.584 20 5 DDBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000117982756 407874719 /nfs/dbraw/zinc/87/47/19/407874719.db2.gz BSIXMGMMMKRNPE-UHFFFAOYSA-N 0 3 310.310 1.493 20 5 DDBDHN CN(C)CCN(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268142779 407909023 /nfs/dbraw/zinc/90/90/23/407909023.db2.gz NIHSCJOIEGAPKL-UHFFFAOYSA-N 0 3 314.773 1.951 20 5 DDBDHN CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000153982410 407945768 /nfs/dbraw/zinc/94/57/68/407945768.db2.gz FXAGPSIPIHCXKA-GFCCVEGCSA-N 0 3 307.350 1.526 20 5 DDBDHN CSC[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000188067383 407915736 /nfs/dbraw/zinc/91/57/36/407915736.db2.gz QANAIYGPYLXJFD-JQWIXIFHSA-N 0 3 312.395 1.200 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000268162282 407923026 /nfs/dbraw/zinc/92/30/26/407923026.db2.gz CZEFGTNBLRUUKA-BXUZGUMPSA-N 0 3 303.362 1.736 20 5 DDBDHN Cc1cc(C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)n[nH]1 ZINC000273039241 408030069 /nfs/dbraw/zinc/03/00/69/408030069.db2.gz WHMDDLPXWGIKMS-UHFFFAOYSA-N 0 3 304.354 1.702 20 5 DDBDHN Cc1cc(C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)[nH]n1 ZINC000273039241 408030076 /nfs/dbraw/zinc/03/00/76/408030076.db2.gz WHMDDLPXWGIKMS-UHFFFAOYSA-N 0 3 304.354 1.702 20 5 DDBDHN CCN1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268431889 408041384 /nfs/dbraw/zinc/04/13/84/408041384.db2.gz BGJRRIPLDLQPCI-CYBMUJFWSA-N 0 3 321.425 1.984 20 5 DDBDHN C[C@@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)N(C)C ZINC000272561460 407986264 /nfs/dbraw/zinc/98/62/64/407986264.db2.gz PVQLYTGOTVGJHF-ZETCQYMHSA-N 0 3 309.351 1.279 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272596235 408002017 /nfs/dbraw/zinc/00/20/17/408002017.db2.gz IMISXLNLOUTTKI-QMTHXVAHSA-N 0 3 304.350 1.343 20 5 DDBDHN CCN1CCN(C[C@@H](C)CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273587494 408257050 /nfs/dbraw/zinc/25/70/50/408257050.db2.gz GTGAEZVOYRTFHY-LBPRGKRZSA-N 0 3 308.386 1.070 20 5 DDBDHN Cn1ccnc1CC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176233675 408317949 /nfs/dbraw/zinc/31/79/49/408317949.db2.gz MBJCIABMMSMAFB-UHFFFAOYSA-N 0 3 318.381 1.480 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CCN3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000269387387 408292072 /nfs/dbraw/zinc/29/20/72/408292072.db2.gz LCXLXWTZXXACFI-JTQLQIEISA-N 0 3 307.354 1.362 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CCN3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000269387387 408292080 /nfs/dbraw/zinc/29/20/80/408292080.db2.gz LCXLXWTZXXACFI-JTQLQIEISA-N 0 3 307.354 1.362 20 5 DDBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCCC2)C1 ZINC000171449031 162219145 /nfs/dbraw/zinc/21/91/45/162219145.db2.gz VQVKVUMPZWAILU-CQSZACIVSA-N 0 3 319.361 1.670 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCN(CC)CCO ZINC000274433115 408403947 /nfs/dbraw/zinc/40/39/47/408403947.db2.gz SLHGXBLVLCWONR-UHFFFAOYSA-N 0 3 311.382 1.397 20 5 DDBDHN CN(C)c1cccc(CN(C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000159810932 408436278 /nfs/dbraw/zinc/43/62/78/408436278.db2.gz OGJUSUNSWRYYIU-UHFFFAOYSA-N 0 3 303.366 1.989 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCN2CCC[C@@H](C)C2)n1 ZINC000191772709 408489447 /nfs/dbraw/zinc/48/94/47/408489447.db2.gz CYNJYGWUYIRUAQ-LLVKDONJSA-N 0 3 309.370 1.273 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177131105 408529205 /nfs/dbraw/zinc/52/92/05/408529205.db2.gz IPPDAVNWHXXDAH-WCQYABFASA-N 0 3 303.362 1.879 20 5 DDBDHN C[C@H](Cn1cccn1)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000265106022 408553071 /nfs/dbraw/zinc/55/30/71/408553071.db2.gz YCMIXZBWYJPIMF-LLVKDONJSA-N 0 3 303.322 1.408 20 5 DDBDHN CC1(C)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000275543103 408595662 /nfs/dbraw/zinc/59/56/62/408595662.db2.gz ZFKCGJCLFBREOE-IUODEOHRSA-N 0 3 324.377 1.427 20 5 DDBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000249256514 408706598 /nfs/dbraw/zinc/70/65/98/408706598.db2.gz HKTYHIWUIFHJQR-XHDPSFHLSA-N 0 3 318.377 1.733 20 5 DDBDHN CN(CCNC(=O)c1nn(C)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000270904578 408733989 /nfs/dbraw/zinc/73/39/89/408733989.db2.gz AINBKNYBBKXQNN-UHFFFAOYSA-N 0 3 317.349 1.190 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCC[C@H]1CO ZINC000249515285 408734804 /nfs/dbraw/zinc/73/48/04/408734804.db2.gz BZMPORYJMHIJSV-QWHCGFSZSA-N 0 3 310.350 1.181 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)[C@H]1CCOC1 ZINC000162799554 408736493 /nfs/dbraw/zinc/73/64/93/408736493.db2.gz ZIPOCKJQFDIFHY-MNOVXSKESA-N 0 3 323.349 1.557 20 5 DDBDHN C[C@@H]1C[C@@H](O)C[C@H](C)N1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249078344 408685548 /nfs/dbraw/zinc/68/55/48/408685548.db2.gz SEQAWAMGMUYOIR-AYRXBEOTSA-N 0 3 324.377 1.568 20 5 DDBDHN CN(C)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000193135658 408700444 /nfs/dbraw/zinc/70/04/44/408700444.db2.gz YOCCVIRXDZJEOF-CQSZACIVSA-N 0 3 317.349 1.210 20 5 DDBDHN CC(C)N1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H](C)C1 ZINC000185309836 408794714 /nfs/dbraw/zinc/79/47/14/408794714.db2.gz MXOZXUWPJWJYAP-CABZTGNLSA-N 0 3 307.354 1.031 20 5 DDBDHN CN(CC(=O)N1CCN2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC000188657713 163062402 /nfs/dbraw/zinc/06/24/02/163062402.db2.gz LDKNYFVXSAJOPN-UHFFFAOYSA-N 0 3 318.377 1.338 20 5 DDBDHN O=C(CNc1ccccc1[N+](=O)[O-])N1CCN2CCC1CC2 ZINC000188860801 163074022 /nfs/dbraw/zinc/07/40/22/163074022.db2.gz CCTKLZBKHRFUJQ-UHFFFAOYSA-N 0 3 304.350 1.313 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC([C@H]3CCCO3)CC2)c1 ZINC000189162929 163087015 /nfs/dbraw/zinc/08/70/15/163087015.db2.gz VOWSWOGUPFORNH-LSDHHAIUSA-N 0 3 324.381 1.043 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCCN1CCOC ZINC000192561864 163226938 /nfs/dbraw/zinc/22/69/38/163226938.db2.gz QJLYZYOFXGIEJS-GFCCVEGCSA-N 0 3 311.386 1.642 20 5 DDBDHN COC(=O)c1cc(C(=O)NC[C@H]2CCCN2C)cc([N+](=O)[O-])c1 ZINC000194733988 163296077 /nfs/dbraw/zinc/29/60/77/163296077.db2.gz BWJAWHJZWVXONC-GFCCVEGCSA-N 0 3 321.333 1.205 20 5 DDBDHN C[C@H](O)CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000277482193 408948109 /nfs/dbraw/zinc/94/81/09/408948109.db2.gz CPGBAXREHGDQDY-QWRGUYRKSA-N 0 3 319.365 1.362 20 5 DDBDHN C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000286223737 408945113 /nfs/dbraw/zinc/94/51/13/408945113.db2.gz YVIGNNKPZVQCDH-CJNGLKHVSA-N 0 3 305.378 1.890 20 5 DDBDHN C[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283597797 409183610 /nfs/dbraw/zinc/18/36/10/409183610.db2.gz XZXHYEKADYDQED-SNVBAGLBSA-N 0 3 324.356 1.920 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000280463452 409315901 /nfs/dbraw/zinc/31/59/01/409315901.db2.gz FUVYPUHMVFLARJ-ZDUSSCGKSA-N 0 3 321.377 1.883 20 5 DDBDHN C[C@@H]1[C@H](O)CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000296095418 409429378 /nfs/dbraw/zinc/42/93/78/409429378.db2.gz HPYZSVHGXGFRKE-MBNYWOFBSA-N 0 3 310.350 1.180 20 5 DDBDHN CCC(=O)N1CC[C@@H](N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000285451492 409448812 /nfs/dbraw/zinc/44/88/12/409448812.db2.gz ZMDAXFCIGKAQGO-ZYHUDNBSSA-N 0 3 306.366 1.839 20 5 DDBDHN CCO[C@@H]1C[C@](N)(C(=O)NCc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000186737227 306718003 /nfs/dbraw/zinc/71/80/03/306718003.db2.gz XGXWQVJTABIEHT-CJNGLKHVSA-N 0 3 321.377 1.744 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000408098564 164227232 /nfs/dbraw/zinc/22/72/32/164227232.db2.gz GTGPLNFDKQNCGP-CYBMUJFWSA-N 0 3 318.377 1.999 20 5 DDBDHN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000356867665 409679021 /nfs/dbraw/zinc/67/90/21/409679021.db2.gz MUOZBMXCIJRVAA-RYUDHWBXSA-N 0 3 307.350 1.938 20 5 DDBDHN C[C@@H](C(=O)NC[C@](C)(O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000320158947 409904216 /nfs/dbraw/zinc/90/42/16/409904216.db2.gz HUSLGYJJHFGRMD-ABAIWWIYSA-N 0 3 309.366 1.127 20 5 DDBDHN CNc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000317099092 409861683 /nfs/dbraw/zinc/86/16/83/409861683.db2.gz BIAQNKFBILJHQE-CMPLNLGQSA-N 0 3 306.366 1.849 20 5 DDBDHN CCN(CCN1CCCCCC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000346301578 409898761 /nfs/dbraw/zinc/89/87/61/409898761.db2.gz QIIKXCWNENNABH-UHFFFAOYSA-N 0 3 323.397 1.516 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCCN1C ZINC000343472007 410477890 /nfs/dbraw/zinc/47/78/90/410477890.db2.gz ZGDWPQBAXGHDIO-OLZOCXBDSA-N 0 3 320.393 1.630 20 5 DDBDHN CCN1CC[C@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1C ZINC000347534900 410601555 /nfs/dbraw/zinc/60/15/55/410601555.db2.gz ZSUSDZOMYRKDBF-QWRGUYRKSA-N 0 3 309.370 1.273 20 5 DDBDHN COc1cc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000337375110 410745418 /nfs/dbraw/zinc/74/54/18/410745418.db2.gz ZVPPBUKJRAWFPF-QWHCGFSZSA-N 0 3 323.393 1.490 20 5 DDBDHN CCN1C[C@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000330569430 410784131 /nfs/dbraw/zinc/78/41/31/410784131.db2.gz MCUIDYLCPHOQLE-STQMWFEESA-N 0 3 320.393 1.948 20 5 DDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)N1CCC(C)CC1 ZINC000356458748 411041028 /nfs/dbraw/zinc/04/10/28/411041028.db2.gz PBFJGSRACFMPAX-NSHDSACASA-N 0 3 309.370 1.179 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](CO)CN2CCCCC2)n1 ZINC000580155774 422894386 /nfs/dbraw/zinc/89/43/86/422894386.db2.gz FQICLZMEXMKBPS-CYBMUJFWSA-N 0 3 308.382 1.865 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN2CCCCC2)n1 ZINC000191770619 222108683 /nfs/dbraw/zinc/10/86/83/222108683.db2.gz VQRJENMPPUTQGL-NSHDSACASA-N 0 3 309.370 1.415 20 5 DDBDHN COCCOC[C@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000295421461 418586140 /nfs/dbraw/zinc/58/61/40/418586140.db2.gz YFHSXLARNGBGMO-CQSZACIVSA-N 0 3 312.366 1.093 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN[C@H]2c3ccccc3CC[C@H]2CO)n1 ZINC000365268473 418847644 /nfs/dbraw/zinc/84/76/44/418847644.db2.gz PMQOJHMPHHDWMM-XJKSGUPXSA-N 0 3 316.361 1.677 20 5 DDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417937369 419400411 /nfs/dbraw/zinc/40/04/11/419400411.db2.gz IMAAQKVEFFHHDT-NWDGAFQWSA-N 0 3 306.366 1.529 20 5 DDBDHN C[C@@H]1CC[C@H](O)CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000421002935 419438016 /nfs/dbraw/zinc/43/80/16/419438016.db2.gz BYHULHAPJANSOQ-KWCYVHTRSA-N 0 3 310.350 1.180 20 5 DDBDHN COC1([C@@H](C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC1 ZINC000412026752 419570469 /nfs/dbraw/zinc/57/04/69/419570469.db2.gz TYBSGUBULGBQIE-SNVBAGLBSA-N 0 3 307.350 1.741 20 5 DDBDHN CN(C[C@H]1CCCN1C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000421707062 419694883 /nfs/dbraw/zinc/69/48/83/419694883.db2.gz WQFZKSXIJQPYKR-CYBMUJFWSA-N 0 3 321.377 1.916 20 5 DDBDHN C[C@@]1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CCCCN1 ZINC000423723696 420142508 /nfs/dbraw/zinc/14/25/08/420142508.db2.gz MABOWZBLEVPGPP-AWEZNQCLSA-N 0 3 303.322 1.942 20 5 DDBDHN Cc1cc(OCC(=O)N[C@@H]2CCCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000430787132 420190540 /nfs/dbraw/zinc/19/05/40/420190540.db2.gz FFLGINURLBHFHV-TZMCWYRMSA-N 0 3 321.377 1.881 20 5 DDBDHN O=C(CCOC1CNC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423731855 420146675 /nfs/dbraw/zinc/14/66/75/420146675.db2.gz YQPNSHHJRCRNNJ-UHFFFAOYSA-N 0 3 319.361 1.464 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCNC[C@H]2c2ccccc2)n1 ZINC000420397963 420260764 /nfs/dbraw/zinc/26/07/64/420260764.db2.gz GQPGEORWAJSNCO-AWEZNQCLSA-N 0 3 301.350 1.438 20 5 DDBDHN CN(C[C@@H]1CCCN1C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000420813314 420401681 /nfs/dbraw/zinc/40/16/81/420401681.db2.gz YGYMQIKJBWLYOC-ZDUSSCGKSA-N 0 3 306.366 1.830 20 5 DDBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](c2nnc[nH]2)C1 ZINC000425553394 420417140 /nfs/dbraw/zinc/41/71/40/420417140.db2.gz UHMAPFGZPKPUJG-LLVKDONJSA-N 0 3 303.322 1.581 20 5 DDBDHN C[C@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000417760554 420470793 /nfs/dbraw/zinc/47/07/93/420470793.db2.gz GIFQITUCTDURAG-RYUDHWBXSA-N 0 3 306.366 1.529 20 5 DDBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@H](CO)[C@H](O)C3)o2)c1 ZINC000459694207 420849293 /nfs/dbraw/zinc/84/92/93/420849293.db2.gz GDAOKEYKYPTNSD-IUODEOHRSA-N 0 3 318.329 1.640 20 5 DDBDHN CNc1nc(C(=O)NC[C@H](C)N(C)C2CC2)ccc1[N+](=O)[O-] ZINC000455381106 421004753 /nfs/dbraw/zinc/00/47/53/421004753.db2.gz JFAOOBPNISPBEF-VIFPVBQESA-N 0 3 307.354 1.244 20 5 DDBDHN CC(COC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000495940045 421097764 /nfs/dbraw/zinc/09/77/64/421097764.db2.gz FWRIGEJKTKVQON-AXFHLTTASA-N 0 3 316.354 1.888 20 5 DDBDHN COc1cc(NC[C@@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000450602008 421216371 /nfs/dbraw/zinc/21/63/71/421216371.db2.gz ZJGHGKZBZXLEQO-ZDUSSCGKSA-N 0 3 309.366 1.862 20 5 DDBDHN Cc1nc(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450539286 421207640 /nfs/dbraw/zinc/20/76/40/421207640.db2.gz JMAMGXCROZNZDX-GMXVVIOVSA-N 0 3 305.382 1.860 20 5 DDBDHN CC(COC(=O)CN(CC1CC1)C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496606984 421281936 /nfs/dbraw/zinc/28/19/36/421281936.db2.gz UMNSOWQGPMHLSF-SNVBAGLBSA-N 0 3 316.354 1.842 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H](O)COCC1CC1 ZINC000563416479 421506506 /nfs/dbraw/zinc/50/65/06/421506506.db2.gz FZRTYOOBPYNCCC-WFASDCNBSA-N 0 3 306.362 1.959 20 5 DDBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000521672128 421796254 /nfs/dbraw/zinc/79/62/54/421796254.db2.gz OPMSHGIVHKSCGB-RYUDHWBXSA-N 0 3 308.382 1.926 20 5 DDBDHN C[C@@H]1Oc2ccccc2[C@H]1NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574270758 422085107 /nfs/dbraw/zinc/08/51/07/422085107.db2.gz KAFZKLYAKIMREW-NVBFEUDRSA-N 0 3 318.333 1.264 20 5 DDBDHN C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000577294231 422384578 /nfs/dbraw/zinc/38/45/78/422384578.db2.gz MGMOGRLPXSVXFO-GHMZBOCLSA-N 0 3 321.381 1.565 20 5 DDBDHN CNC(=O)CCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000578374865 422559094 /nfs/dbraw/zinc/55/90/94/422559094.db2.gz TWXMPSKXVFDHAW-LLVKDONJSA-N 0 3 307.354 1.002 20 5 DDBDHN O=C([C@@H]1CCCCN1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237937664 263592536 /nfs/dbraw/zinc/59/25/36/263592536.db2.gz BSVKOPACJLWSRI-YPMHNXCESA-N 0 3 319.365 1.145 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000341682533 271167949 /nfs/dbraw/zinc/16/79/49/271167949.db2.gz CRDNIDLTWVSBOY-UONOGXRCSA-N 0 3 321.377 1.505 20 5 DDBDHN CC[C@H](NCCCS(=O)(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000342290850 271368368 /nfs/dbraw/zinc/36/83/68/271368368.db2.gz GXLDDDGCHKYRIA-ZDUSSCGKSA-N 0 3 315.395 1.575 20 5 DDBDHN COCCN1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000345764801 272329385 /nfs/dbraw/zinc/32/93/85/272329385.db2.gz DVYAOAGINRHOQW-LBPRGKRZSA-N 0 3 322.365 1.745 20 5 DDBDHN C[C@@H]1C[C@@H](CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000453573024 278891613 /nfs/dbraw/zinc/89/16/13/278891613.db2.gz GENXLWGGUFECMX-KGLIPLIRSA-N 0 3 320.393 1.927 20 5 DDBDHN C[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000450547692 288264239 /nfs/dbraw/zinc/26/42/39/288264239.db2.gz OPGRZYWRURVHQF-NSHDSACASA-N 0 3 318.377 1.614 20 5 DDBDHN CCCN(CCN(C)C)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000133396553 281494360 /nfs/dbraw/zinc/49/43/60/281494360.db2.gz SUKBURKVVNWNQW-UHFFFAOYSA-N 0 3 311.386 1.290 20 5 DDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291227828 297263511 /nfs/dbraw/zinc/26/35/11/297263511.db2.gz WLLPQRIILGESLJ-GHMZBOCLSA-N 0 3 319.365 1.152 20 5 DDBDHN C[C@H]1CCN(C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000353994488 298333861 /nfs/dbraw/zinc/33/38/61/298333861.db2.gz FTWRESXHQLUGSQ-ZDUSSCGKSA-N 0 3 320.393 1.949 20 5 DDBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354201871 298360960 /nfs/dbraw/zinc/36/09/60/298360960.db2.gz YTBFUOYMUASTKP-LLVKDONJSA-N 0 3 309.370 1.558 20 5 DDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1csc([N+](=O)[O-])c1 ZINC000363143935 300218997 /nfs/dbraw/zinc/21/89/97/300218997.db2.gz OBEHSWREMNLQJW-WDEREUQCSA-N 0 3 311.363 1.249 20 5 DDBDHN C[C@H](NCc1c([N+](=O)[O-])ncn1C)[C@H]1COc2ccccc21 ZINC000363836607 300314935 /nfs/dbraw/zinc/31/49/35/300314935.db2.gz VBIHZVLPSODCCT-CMPLNLGQSA-N 0 3 302.334 1.983 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000367463111 300848849 /nfs/dbraw/zinc/84/88/49/300848849.db2.gz FOXNIVWTPCNBBW-BXUZGUMPSA-N 0 3 318.377 1.997 20 5 DDBDHN Cn1cc(C[C@@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C2)cn1 ZINC000368405798 301020758 /nfs/dbraw/zinc/02/07/58/301020758.db2.gz VVLRTGSQJOVRCB-LBPRGKRZSA-N 0 3 304.354 1.089 20 5 DDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000377510190 302187906 /nfs/dbraw/zinc/18/79/06/302187906.db2.gz FKHBQBSVJBESCW-NWDGAFQWSA-N 0 3 323.324 1.327 20 5 DDBDHN CN1CCC(O)(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000397534151 302355448 /nfs/dbraw/zinc/35/54/48/302355448.db2.gz OADTWXHWIFIPRT-DAXSKMNVSA-N 0 3 319.361 1.181 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000171030278 302705216 /nfs/dbraw/zinc/70/52/16/302705216.db2.gz ZENJJWSUNHJMIY-ZDUSSCGKSA-N 0 3 318.377 1.999 20 5 DDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000376448421 307244211 /nfs/dbraw/zinc/24/42/11/307244211.db2.gz MUSKBWKDLBWMHO-DGCLKSJQSA-N 0 3 318.377 1.876 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000376643032 307251102 /nfs/dbraw/zinc/25/11/02/307251102.db2.gz MSTRXQXZQSUFFX-FZMZJTMJSA-N 0 3 304.350 1.464 20 5 DDBDHN CCc1n[nH]c(C(=O)NCC(C)(C)N2CCCCC2)c1[N+](=O)[O-] ZINC000555103104 307842532 /nfs/dbraw/zinc/84/25/32/307842532.db2.gz NWPOVOJPVHXZEP-UHFFFAOYSA-N 0 3 323.397 1.875 20 5 DDBDHN COCCN(C)C[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574168848 308264214 /nfs/dbraw/zinc/26/42/14/308264214.db2.gz KUTFCXRCVTYYPU-IUODEOHRSA-N 0 3 311.382 1.185 20 5 DDBDHN O=C1CC[C@@H](CN2CCc3c(cccc3[N+](=O)[O-])C2)CCN1 ZINC000577586085 308399020 /nfs/dbraw/zinc/39/90/20/308399020.db2.gz SDOQBLYUPJMUSV-GFCCVEGCSA-N 0 3 303.362 1.869 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CCN1C ZINC000330915847 534103897 /nfs/dbraw/zinc/10/38/97/534103897.db2.gz URUDUWLRVLFSNW-RYUDHWBXSA-N 0 3 306.366 1.606 20 5 DDBDHN CC(C)[N@H+](C)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735857287 598298190 /nfs/dbraw/zinc/29/81/90/598298190.db2.gz SBTRCKFJCOQLKE-UHFFFAOYSA-N 0 3 305.342 1.527 20 5 DDBDHN CC(C)[N@@H+](C)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735857287 598298192 /nfs/dbraw/zinc/29/81/92/598298192.db2.gz SBTRCKFJCOQLKE-UHFFFAOYSA-N 0 3 305.342 1.527 20 5 DDBDHN CC(C)[N@H+](C)CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735857287 598298193 /nfs/dbraw/zinc/29/81/93/598298193.db2.gz SBTRCKFJCOQLKE-UHFFFAOYSA-N 0 3 305.342 1.527 20 5 DDBDHN CC(C)[N@@H+](C)CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735857287 598298194 /nfs/dbraw/zinc/29/81/94/598298194.db2.gz SBTRCKFJCOQLKE-UHFFFAOYSA-N 0 3 305.342 1.527 20 5 DDBDHN C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000820668796 599590492 /nfs/dbraw/zinc/59/04/92/599590492.db2.gz WOKYVNOMPPLBJS-KOLCDFICSA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000820668796 599590495 /nfs/dbraw/zinc/59/04/95/599590495.db2.gz WOKYVNOMPPLBJS-KOLCDFICSA-N 0 3 317.353 1.670 20 5 DDBDHN C[NH+](C)C[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821583193 606858855 /nfs/dbraw/zinc/85/88/55/606858855.db2.gz LWJSXEUYCZALCD-NSHDSACASA-N 0 3 317.353 1.305 20 5 DDBDHN C[NH+](C)C[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821583193 606858856 /nfs/dbraw/zinc/85/88/56/606858856.db2.gz LWJSXEUYCZALCD-NSHDSACASA-N 0 3 317.353 1.305 20 5 DDBDHN CC1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000195157667 697733013 /nfs/dbraw/zinc/73/30/13/697733013.db2.gz YIBRJKDYVDGLLI-UHFFFAOYSA-N 0 3 306.366 1.639 20 5 DDBDHN Cc1nn(C)c(C)c1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749683288 700176754 /nfs/dbraw/zinc/17/67/54/700176754.db2.gz OCYDNTWZQXCDOC-HNNXBMFYSA-N 0 3 304.350 1.768 20 5 DDBDHN C[C@@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000788670291 699333002 /nfs/dbraw/zinc/33/30/02/699333002.db2.gz IPOLCOBCHILGPV-RWSFTLGLSA-N 0 3 308.382 1.547 20 5 DDBDHN C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000742197774 699866345 /nfs/dbraw/zinc/86/63/45/699866345.db2.gz ZWKCYUDSZIYRGO-VIFPVBQESA-N 0 3 303.322 1.247 20 5 DDBDHN COC(=O)c1cc(C)nc(NCCN2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000804520573 701197507 /nfs/dbraw/zinc/19/75/07/701197507.db2.gz GEWLUOKDGQLKFQ-NSHDSACASA-N 0 3 322.365 1.981 20 5 DDBDHN CC(C)N(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC(=O)N1 ZINC000839670016 701774514 /nfs/dbraw/zinc/77/45/14/701774514.db2.gz REVCMAGDSHXZLG-ZFWWWQNUSA-N 0 3 321.377 1.617 20 5 DDBDHN CC(COC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C)[N+](=O)[O-] ZINC000813103389 702292261 /nfs/dbraw/zinc/29/22/61/702292261.db2.gz PRIMGXOXTJTJLF-BDAKNGLRSA-N 0 3 307.306 1.285 20 5 DDBDHN CC(COC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)[N+](=O)[O-] ZINC000813107710 702294020 /nfs/dbraw/zinc/29/40/20/702294020.db2.gz URAKLBCCXMNBOJ-OCCSQVGLSA-N 0 3 320.345 1.747 20 5 DDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000843893514 702938891 /nfs/dbraw/zinc/93/88/91/702938891.db2.gz OGNNCZXIKKXBTD-GWCFXTLKSA-N 0 3 307.325 1.818 20 5 DDBDHN CC([C@H](OC(=O)[C@@H]1CCNC(=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845874386 703211445 /nfs/dbraw/zinc/21/14/45/703211445.db2.gz HGNBSWMQQBIETA-RULNRJAQSA-N 0 3 324.308 1.601 20 5 DDBDHN CC1(C)C[C@@H](O)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000879614941 706738669 /nfs/dbraw/zinc/73/86/69/706738669.db2.gz CKUFJPJTQLUXPA-KGLIPLIRSA-N 0 3 324.377 1.427 20 5 DDBDHN O=C1O[C@@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000848677636 703574701 /nfs/dbraw/zinc/57/47/01/703574701.db2.gz FHLIKWFNDDRVCR-KBPBESRZSA-N 0 3 321.333 1.201 20 5 DDBDHN Cc1cc(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)ccc1[N+](=O)[O-] ZINC000869786152 703853245 /nfs/dbraw/zinc/85/32/45/703853245.db2.gz UCRUYQQEGFDGTF-ZDUSSCGKSA-N 0 3 321.377 1.478 20 5 DDBDHN O=C1NCC[C@H]1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000821343009 704393935 /nfs/dbraw/zinc/39/39/35/704393935.db2.gz TUBUIIKIQTWLQB-ZDUSSCGKSA-N 0 3 318.377 1.243 20 5 DDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000874823244 705182733 /nfs/dbraw/zinc/18/27/33/705182733.db2.gz GVSKQFHBATWMDZ-KGLIPLIRSA-N 0 3 321.352 1.972 20 5 DDBDHN COc1c(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)cccc1[N+](=O)[O-] ZINC000874830375 705189110 /nfs/dbraw/zinc/18/91/10/705189110.db2.gz RGOXYZHZWPMWFB-OLZOCXBDSA-N 0 3 319.361 1.912 20 5 DDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000874846916 705201077 /nfs/dbraw/zinc/20/10/77/705201077.db2.gz LNBKUOHJJLRLNO-HUUCEWRRSA-N 0 3 319.361 1.669 20 5 DDBDHN C[C@@H]1CCCCN1CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825099412 705599445 /nfs/dbraw/zinc/59/94/45/705599445.db2.gz ZCLTXVLJADWJHE-DOMZBBRYSA-N 0 3 321.377 1.619 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC=C[C@@H]1CO ZINC000880489714 706992941 /nfs/dbraw/zinc/99/29/41/706992941.db2.gz HSWPUFANEYSJAF-CYBMUJFWSA-N 0 3 305.334 1.465 20 5 DDBDHN Cc1ccc(CN[C@@H]2CCCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000873149484 707750105 /nfs/dbraw/zinc/75/01/05/707750105.db2.gz PFXZBONZFMZGMT-CYBMUJFWSA-N 0 3 312.391 1.960 20 5 DDBDHN COC(=O)N1CCC([C@H](C)NCc2cccnc2[N+](=O)[O-])CC1 ZINC000886145461 708705034 /nfs/dbraw/zinc/70/50/34/708705034.db2.gz YYMPWNREGQIMJE-NSHDSACASA-N 0 3 322.365 1.946 20 5 DDBDHN CN(CCO)CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000899740581 709184964 /nfs/dbraw/zinc/18/49/64/709184964.db2.gz FFLCSALANHGZJD-UHFFFAOYSA-N 0 3 317.345 1.402 20 5 DDBDHN CC1(C)CCN(CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000890068705 709730346 /nfs/dbraw/zinc/73/03/46/709730346.db2.gz CFSLWEQWNDBPJL-AWEZNQCLSA-N 0 3 321.377 1.476 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CCN1C ZINC000928438593 713195821 /nfs/dbraw/zinc/19/58/21/713195821.db2.gz GIDSEGYKKFEHRN-CABZTGNLSA-N 0 3 324.356 1.622 20 5 DDBDHN COc1cc([C@H](C)N[C@H](C)Cn2cncn2)cc([N+](=O)[O-])c1 ZINC000903083153 711027185 /nfs/dbraw/zinc/02/71/85/711027185.db2.gz AEVWOLKCTHSYRO-MNOVXSKESA-N 0 3 305.338 1.934 20 5 DDBDHN CC1(C)CNCCN1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911849088 711030603 /nfs/dbraw/zinc/03/06/03/711030603.db2.gz YZFXIJZCIRNNQJ-ZIAGYGMSSA-N 0 3 303.362 1.909 20 5 DDBDHN COc1cc([C@@H](C)N[C@@H]2CCC(=O)N(C)C2)cc([N+](=O)[O-])c1 ZINC000903098361 711031166 /nfs/dbraw/zinc/03/11/66/711031166.db2.gz NPAWHJAFXDKZKC-ZYHUDNBSSA-N 0 3 307.350 1.875 20 5 DDBDHN C[C@@H]1COC[C@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000905868331 712170634 /nfs/dbraw/zinc/17/06/34/712170634.db2.gz RPATVSWMOZZJEW-DDTOSNHZSA-N 0 3 305.334 1.325 20 5 DDBDHN Cn1ccc(C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000932145375 714270644 /nfs/dbraw/zinc/27/06/44/714270644.db2.gz QIUDVTJLMLGYPP-UHFFFAOYSA-N 0 3 304.354 1.404 20 5 DDBDHN Cc1[nH]ccc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125429899 733309542 /nfs/dbraw/zinc/30/95/42/733309542.db2.gz MQSDTMRIPPMQLU-UHFFFAOYSA-N 0 3 302.334 1.751 20 5 DDBDHN CCCN(C)CC(=O)NC/C=C\CNc1ncccc1[N+](=O)[O-] ZINC001107280110 749725630 /nfs/dbraw/zinc/72/56/30/749725630.db2.gz ICJXQZHILLYJHU-PLNGDYQASA-N 0 3 321.381 1.416 20 5 DDBDHN CCN(CC)CC(=O)NCCCN(C)c1ncccc1[N+](=O)[O-] ZINC001095566989 750046190 /nfs/dbraw/zinc/04/61/90/750046190.db2.gz KZKBUJWIXKKDPL-UHFFFAOYSA-N 0 3 323.397 1.274 20 5 DDBDHN CCOCC1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001130412890 767507389 /nfs/dbraw/zinc/50/73/89/767507389.db2.gz HHKVYAHMNYBVCR-UHFFFAOYSA-N 0 3 321.377 1.617 20 5 DDBDHN CC(C)N(C)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001097037350 771590921 /nfs/dbraw/zinc/59/09/21/771590921.db2.gz NAHWEXPHIFLHOD-HAQNSBGRSA-N 0 3 321.381 1.389 20 5 DDBDHN CN(C)CCN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)C1CCCC1 ZINC001144198244 772437775 /nfs/dbraw/zinc/43/77/75/772437775.db2.gz ZFWLWQHWUNMHIQ-UHFFFAOYSA-N 0 3 321.381 1.518 20 5 DDBDHN Cc1cnoc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001146495187 772878285 /nfs/dbraw/zinc/87/82/85/772878285.db2.gz VTDPLNUYRIPEMI-UHFFFAOYSA-N 0 3 304.306 1.411 20 5 DDBDHN CCN(CC)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001110148645 775032814 /nfs/dbraw/zinc/03/28/14/775032814.db2.gz NOCGIJHBAMQZIP-UHFFFAOYSA-N 0 3 321.381 1.392 20 5 DDBDHN COC(=O)[C@@H]1CN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC001173231935 777063954 /nfs/dbraw/zinc/06/39/54/777063954.db2.gz PAVWENMSIMTQIQ-DOMZBBRYSA-N 0 3 322.361 1.790 20 5 DDBDHN CCN(CC)CC(=O)N(C)CCNc1ccccc1[N+](=O)[O-] ZINC001101628438 777322958 /nfs/dbraw/zinc/32/29/58/777322958.db2.gz JOKGXBCTNOKZKC-UHFFFAOYSA-N 0 3 308.382 1.807 20 5 DDBDHN C[C@H](NC[C@H](O)C[C@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC001176036342 778008637 /nfs/dbraw/zinc/00/86/37/778008637.db2.gz JZVXUODQWUAAJZ-NILFDRSVSA-N 0 3 310.350 1.148 20 5 DDBDHN Cc1c(C(=O)N2CC(N[C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC001179008682 779259986 /nfs/dbraw/zinc/25/99/86/779259986.db2.gz PXOSMIQDWRQVEF-NSHDSACASA-N 0 3 305.334 1.106 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)C[C@@H]21 ZINC001119576847 781522052 /nfs/dbraw/zinc/52/20/52/781522052.db2.gz BSBBDIQSWQQWAE-PELKAZGASA-N 0 3 324.768 1.607 20 5 DDBDHN O=C(Cc1cc[nH]n1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001156081894 862707294 /nfs/dbraw/zinc/70/72/94/862707294.db2.gz YDHMGTDBHKZWQT-UHFFFAOYSA-N 0 3 323.378 1.218 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2CCCN(C)[C@H]2C1 ZINC001157259094 863688901 /nfs/dbraw/zinc/68/89/01/863688901.db2.gz CQCIZUODGUGMID-MFKMUULPSA-N 0 3 320.349 1.307 20 5 DDBDHN COC(=O)c1cnc(N2C[C@@H]3CCCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001157266083 863696129 /nfs/dbraw/zinc/69/61/29/863696129.db2.gz NQEOHOJJWFQXQE-GXFFZTMASA-N 0 3 320.349 1.307 20 5 DDBDHN CN(C)/C=C/c1cc(N2CCN3CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001158432321 864652575 /nfs/dbraw/zinc/65/25/75/864652575.db2.gz JMNFRUIWKJPLIC-MASHWEEQSA-N 0 3 303.366 1.416 20 5 DDBDHN C[C@@H](Nc1nccc2cc([N+](=O)[O-])ccc21)[C@@H]1CNCCO1 ZINC001159499652 865355493 /nfs/dbraw/zinc/35/54/93/865355493.db2.gz BBJQJSCILDQGAE-YGRLFVJLSA-N 0 3 302.334 1.932 20 5 DDBDHN COC(=O)c1ccnc(N[C@H]2CCN(C3CCC3)C2)c1[N+](=O)[O-] ZINC001161176668 866424164 /nfs/dbraw/zinc/42/41/64/866424164.db2.gz AHBLVHYHLIVSIK-JTQLQIEISA-N 0 3 320.349 1.815 20 5 DDBDHN CN1CCN(CCCNc2cnc(Cl)cc2[N+](=O)[O-])CC1 ZINC001161703312 866911957 /nfs/dbraw/zinc/91/19/57/866911957.db2.gz CNSCBLKEMYRXSD-UHFFFAOYSA-N 0 3 313.789 1.693 20 5 DDBDHN CN1CCN(CCCNc2cccc3ncc([N+](=O)[O-])n32)CC1 ZINC001161710355 866922562 /nfs/dbraw/zinc/92/25/62/866922562.db2.gz DGXDCBSFCBTNAK-UHFFFAOYSA-N 0 3 318.381 1.292 20 5 DDBDHN O=[N+]([O-])c1ccnc(Cl)c1NCc1nnn2c1CNCCC2 ZINC001162973651 867961222 /nfs/dbraw/zinc/96/12/22/867961222.db2.gz NIXORLBCKJUMGY-UHFFFAOYSA-N 0 3 323.744 1.340 20 5 DDBDHN O=[N+]([O-])c1cc(N[C@H]2CCCC[C@@]23CNCCO3)cnc1F ZINC001163649768 868592973 /nfs/dbraw/zinc/59/29/73/868592973.db2.gz CZFRHDZGWVVSRE-GXTWGEPZSA-N 0 3 310.329 1.842 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC001335985241 868661205 /nfs/dbraw/zinc/66/12/05/868661205.db2.gz AWROHLCULGRCMP-BBWFWOEESA-N 0 3 314.341 1.876 20 5 DDBDHN CCC1(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)CCC1 ZINC001164234583 869041986 /nfs/dbraw/zinc/04/19/86/869041986.db2.gz ZFULQXYWNGXDJJ-UHFFFAOYSA-N 0 3 323.397 1.505 20 5 DDBDHN CSc1nc(Cl)c([N+](=O)[O-])c(N2CC(C)(N(C)C)C2)n1 ZINC001165116859 869382585 /nfs/dbraw/zinc/38/25/85/869382585.db2.gz LRSMBCWXNUSSBW-UHFFFAOYSA-N 0 3 317.802 1.900 20 5 DDBDHN COc1c([O-])ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC001342829737 872405570 /nfs/dbraw/zinc/40/55/70/872405570.db2.gz LSUYWYYWQDIBSO-ZDUSSCGKSA-N 0 3 321.377 1.979 20 5 DDBDHN COc1c([O-])ccc(CN2CCC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC001342829737 872405574 /nfs/dbraw/zinc/40/55/74/872405574.db2.gz LSUYWYYWQDIBSO-ZDUSSCGKSA-N 0 3 321.377 1.979 20 5 DDBDHN C[C@@](O)(CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC001262572128 900254211 /nfs/dbraw/zinc/25/42/11/900254211.db2.gz LTQRAQAPMNVSKU-GHMZBOCLSA-N 0 3 308.256 1.531 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)n1 ZINC000248671347 282098455 /nfs/dbraw/zinc/09/84/55/282098455.db2.gz QSCYALNLGWISIQ-NEPJUHHUSA-N 0 3 323.397 1.661 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000450852617 230805452 /nfs/dbraw/zinc/80/54/52/230805452.db2.gz CYKWMOPOKZQZQM-RAIGVLPGSA-N 0 3 306.366 1.766 20 5 DDBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc([S@](C)=O)cc1 ZINC000090539598 185301650 /nfs/dbraw/zinc/30/16/50/185301650.db2.gz AJEANENIKJWAOG-RKFFSXRUSA-N 0 3 322.390 1.880 20 5 DDBDHN CN(C)C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000255379648 282252582 /nfs/dbraw/zinc/25/25/82/282252582.db2.gz YTVLYEUKMLPIJE-WBTMPAOCSA-N 0 3 319.361 1.397 20 5 DDBDHN CN1CC[C@@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000451633433 529798258 /nfs/dbraw/zinc/79/82/58/529798258.db2.gz PUQNENJIMHVPRW-RISCZKNCSA-N 0 3 304.350 1.169 20 5 DDBDHN C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272748875 210152222 /nfs/dbraw/zinc/15/22/22/210152222.db2.gz NYZOGGJQKYFWBP-GFCCVEGCSA-N 0 3 303.362 1.904 20 5 DDBDHN Cc1ccc([C@@H](C)NC[C@H](O)Cn2cccn2)cc1[N+](=O)[O-] ZINC000181836733 199360282 /nfs/dbraw/zinc/36/02/82/199360282.db2.gz UTQSPQVKAGDAEM-OCCSQVGLSA-N 0 3 304.350 1.811 20 5 DDBDHN CC1(C)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000279708058 215079456 /nfs/dbraw/zinc/07/94/56/215079456.db2.gz HRPSJSAVIJIJMO-GXTWGEPZSA-N 0 3 310.350 1.037 20 5 DDBDHN COc1ccc(S(=O)(=O)[N-][C@@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000320480624 290820098 /nfs/dbraw/zinc/82/00/98/290820098.db2.gz GUNPGORFOJFVGK-BDAKNGLRSA-N 0 3 317.367 1.008 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](O)C(C)(C)C1 ZINC000279790387 215148917 /nfs/dbraw/zinc/14/89/17/215148917.db2.gz OGTRKTFUTSUYRQ-CQSZACIVSA-N 0 3 321.377 1.935 20 5 DDBDHN CC1(C)CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCN1 ZINC000342932859 282623824 /nfs/dbraw/zinc/62/38/24/282623824.db2.gz HXGGLRDSZUSMGN-UHFFFAOYSA-N 0 3 302.334 1.900 20 5 DDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CNCCO2)c1 ZINC000564841361 304018203 /nfs/dbraw/zinc/01/82/03/304018203.db2.gz FXUMTBOAZYZUAM-SECBINFHSA-N 0 3 311.363 1.035 20 5 DDBDHN C[C@@H](c1cccc(O)c1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072630225 191205163 /nfs/dbraw/zinc/20/51/63/191205163.db2.gz QFZOFCAXHORIPK-NHYWBVRUSA-N 0 3 320.349 1.551 20 5 DDBDHN C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC1 ZINC000068064869 353084802 /nfs/dbraw/zinc/08/48/02/353084802.db2.gz CDTGHOSFOYHVKR-SNVBAGLBSA-N 0 3 317.349 1.685 20 5 DDBDHN O=C1CC2(CN1)CCN(CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000075013367 353342696 /nfs/dbraw/zinc/34/26/96/353342696.db2.gz JFTJVKWVYSSBIC-UHFFFAOYSA-N 0 3 319.361 1.576 20 5 DDBDHN Cc1ccc(NC(=O)NCC2(O)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000077658605 353480765 /nfs/dbraw/zinc/48/07/65/353480765.db2.gz WKMMQKPERPNUCC-UHFFFAOYSA-N 0 3 322.365 1.481 20 5 DDBDHN CN(CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000087135694 353747319 /nfs/dbraw/zinc/74/73/19/353747319.db2.gz AOCJZTDVMOMTCZ-UHFFFAOYSA-N 0 3 318.377 1.757 20 5 DDBDHN O=C(CCN1CCc2n[nH]cc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000091078983 353809243 /nfs/dbraw/zinc/80/92/43/353809243.db2.gz KJKFOHHVIYQBQU-UHFFFAOYSA-N 0 3 315.333 1.705 20 5 DDBDHN CC[C@H](NCCn1cc([N+](=O)[O-])cn1)c1c(C)nn(C)c1C ZINC000090538493 353795147 /nfs/dbraw/zinc/79/51/47/353795147.db2.gz CECDRNSAZBKMSE-ZDUSSCGKSA-N 0 3 306.370 1.883 20 5 DDBDHN CCCc1n[nH]c(C(=O)NC[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000109689360 353957459 /nfs/dbraw/zinc/95/74/59/353957459.db2.gz KYBLBXUEWPENRT-JTQLQIEISA-N 0 3 309.370 1.342 20 5 DDBDHN C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000588683518 354928147 /nfs/dbraw/zinc/92/81/47/354928147.db2.gz KTJAEZAPSSJIGT-MFKMUULPSA-N 0 3 317.349 1.739 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590044134 355042416 /nfs/dbraw/zinc/04/24/16/355042416.db2.gz HGHYQLITGDWLKP-DGCLKSJQSA-N 0 3 305.334 1.136 20 5 DDBDHN CO[C@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000590195570 355057470 /nfs/dbraw/zinc/05/74/70/355057470.db2.gz BQGHTDGNKFTQJW-OAHLLOKOSA-N 0 3 308.334 1.881 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590442839 355096438 /nfs/dbraw/zinc/09/64/38/355096438.db2.gz HLYSCOOTNPVXSX-SMDDNHRTSA-N 0 3 304.350 1.169 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000590444459 355098690 /nfs/dbraw/zinc/09/86/90/355098690.db2.gz LZJTWHXXBUCMKJ-UFBFGSQYSA-N 0 3 308.313 1.092 20 5 DDBDHN COC(=O)[C@H]1CNCCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000592435277 355583486 /nfs/dbraw/zinc/58/34/86/355583486.db2.gz SFIHUCMJWXLWNN-NFBGWVBBSA-N 0 3 319.361 1.445 20 5 DDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1Cc1ccccc1[N+](=O)[O-] ZINC000592526258 355612569 /nfs/dbraw/zinc/61/25/69/355612569.db2.gz WNDSTZYSZGXDLO-LBPRGKRZSA-N 0 3 306.366 1.147 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593720278 355976398 /nfs/dbraw/zinc/97/63/98/355976398.db2.gz JPMZGUOOVYVVRN-FZMZJTMJSA-N 0 3 307.325 1.439 20 5 DDBDHN CCOc1ccc([C@@H](C)N[C@H]2C[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000593723952 355977382 /nfs/dbraw/zinc/97/73/82/355977382.db2.gz VPEJANURLUQSIL-JLLWLGSASA-N 0 3 307.350 1.908 20 5 DDBDHN NC[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000594450797 356221980 /nfs/dbraw/zinc/22/19/80/356221980.db2.gz TYDBMGKURJPHKC-VIFPVBQESA-N 0 3 323.296 1.693 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCNC2(CCCCC2)C1 ZINC000594628728 356269413 /nfs/dbraw/zinc/26/94/13/356269413.db2.gz DVMASBHXBNDLTJ-UHFFFAOYSA-N 0 3 321.381 1.234 20 5 DDBDHN COc1ccc(CNC[C@H](OC)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000594950083 356362745 /nfs/dbraw/zinc/36/27/45/356362745.db2.gz HNVJAZSGZVRAMZ-WFASDCNBSA-N 0 3 310.350 1.745 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CN(C)CCN1C ZINC000595017607 356372942 /nfs/dbraw/zinc/37/29/42/356372942.db2.gz KSTURMJKVCDXLH-OCCSQVGLSA-N 0 3 322.409 1.500 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCn1ccnn1 ZINC000595034344 356375103 /nfs/dbraw/zinc/37/51/03/356375103.db2.gz VQJGAIDVEHZDIQ-LLVKDONJSA-N 0 3 305.338 1.936 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1(CC(N)=O)CC1 ZINC000595043564 356375978 /nfs/dbraw/zinc/37/59/78/356375978.db2.gz IGDWEXYOXJVREE-JTQLQIEISA-N 0 3 307.350 1.910 20 5 DDBDHN COC[C@@H](CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000595370250 356468174 /nfs/dbraw/zinc/46/81/74/356468174.db2.gz FYIHJIZBXWPYNJ-WCQYABFASA-N 0 3 310.354 1.137 20 5 DDBDHN CCOC[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081519134 192279230 /nfs/dbraw/zinc/27/92/30/192279230.db2.gz ZIRMKDXYAXURSF-HIFRSBDPSA-N 0 3 324.377 1.693 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN(C1CC1)C1(CO)CCC1 ZINC000595533116 356537185 /nfs/dbraw/zinc/53/71/85/356537185.db2.gz GSYXBFZDNDVCQP-UHFFFAOYSA-N 0 3 307.350 1.136 20 5 DDBDHN CC(C)NC(=O)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595851410 356677231 /nfs/dbraw/zinc/67/72/31/356677231.db2.gz SCYNLXNFNMKQAV-GFCCVEGCSA-N 0 3 309.370 1.028 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000595856996 356679491 /nfs/dbraw/zinc/67/94/91/356679491.db2.gz HERBBDFSXKPMRO-XPKDYRNWSA-N 0 3 324.377 1.285 20 5 DDBDHN CCC[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CCN1CCOC ZINC000596176188 356802823 /nfs/dbraw/zinc/80/28/23/356802823.db2.gz AJURIZSYQMSJPE-GFCCVEGCSA-N 0 3 324.381 1.633 20 5 DDBDHN CCN1C[C@H](C)N(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1C ZINC000596176408 356803154 /nfs/dbraw/zinc/80/31/54/356803154.db2.gz FVCYCRMVWFQOGI-QWRGUYRKSA-N 0 3 306.366 1.613 20 5 DDBDHN CCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000597946286 357395418 /nfs/dbraw/zinc/39/54/18/357395418.db2.gz NGJDQWGXGHFURV-ZDUSSCGKSA-N 0 3 307.350 1.526 20 5 DDBDHN CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000597947445 357395836 /nfs/dbraw/zinc/39/58/36/357395836.db2.gz YKUZYVZJNKPYNH-GFCCVEGCSA-N 0 3 307.350 1.770 20 5 DDBDHN NC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000598914065 357756642 /nfs/dbraw/zinc/75/66/42/357756642.db2.gz WUZJSTKGYYMQCA-MRVPVSSYSA-N 0 3 310.207 1.745 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CC[C@H](C)[NH2+]C1 ZINC000599102390 357816073 /nfs/dbraw/zinc/81/60/73/357816073.db2.gz FBQUFBQXGMKNDA-QWRGUYRKSA-N 0 3 313.379 1.322 20 5 DDBDHN CC[C@H](NCCNC(=O)c1ccn[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000180224508 199133343 /nfs/dbraw/zinc/13/33/43/199133343.db2.gz IFVWRBGSVLFQFU-ZDUSSCGKSA-N 0 3 317.349 1.789 20 5 DDBDHN CC1(C)C[C@H](NC[C@H]2COCCN2)c2cc([N+](=O)[O-])ccc21 ZINC000600710193 358290677 /nfs/dbraw/zinc/29/06/77/358290677.db2.gz MOLYBSQQGQYEOI-NHYWBVRUSA-N 0 3 305.378 1.895 20 5 DDBDHN CN1CC[C@H](CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601114530 358407089 /nfs/dbraw/zinc/40/70/89/358407089.db2.gz QOZQLONNZWLNTL-SSDOTTSWSA-N 0 3 307.276 1.711 20 5 DDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181088099 199251300 /nfs/dbraw/zinc/25/13/00/199251300.db2.gz FZSSOMMVODAKNJ-LLVKDONJSA-N 0 3 306.366 1.591 20 5 DDBDHN CCN(CC)CC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601773833 358688908 /nfs/dbraw/zinc/68/89/08/358688908.db2.gz BIBNEJHBQXBFPD-OAHLLOKOSA-N 0 3 309.366 1.260 20 5 DDBDHN CO[C@H](CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000602733103 359155434 /nfs/dbraw/zinc/15/54/34/359155434.db2.gz TUGOXEQDIPTDNH-WQVCFCJDSA-N 0 3 324.377 1.443 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](OCC2CC2)C1 ZINC000602813827 359209109 /nfs/dbraw/zinc/20/91/09/359209109.db2.gz ZXYVGOVKTLVXIL-AWEZNQCLSA-N 0 3 308.382 1.991 20 5 DDBDHN Cc1nn(CCC(=O)NCC2=CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000271887855 209297301 /nfs/dbraw/zinc/29/73/01/209297301.db2.gz OCDXBOCHLFZFGB-UHFFFAOYSA-N 0 3 321.381 1.176 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(NCCCN2CCC(O)CC2)n1 ZINC000359086587 299323958 /nfs/dbraw/zinc/32/39/58/299323958.db2.gz VUSIZRJPSNKSIG-UHFFFAOYSA-N 0 3 308.382 1.865 20 5 DDBDHN COCCN1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000264593102 204015945 /nfs/dbraw/zinc/01/59/45/204015945.db2.gz LUHWOTJXLCGPDA-GFCCVEGCSA-N 0 3 308.338 1.437 20 5 DDBDHN CCN1CCCC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000264662368 204062488 /nfs/dbraw/zinc/06/24/88/204062488.db2.gz DSOKWQDOWXFTCN-LBPRGKRZSA-N 0 3 309.370 1.172 20 5 DDBDHN CN(CCNC(=O)NCCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000264779211 204149211 /nfs/dbraw/zinc/14/92/11/204149211.db2.gz BFKKARQSYNFQIR-UHFFFAOYSA-N 0 3 321.381 1.400 20 5 DDBDHN CN(CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])C1CC1 ZINC000264921006 204271064 /nfs/dbraw/zinc/27/10/64/204271064.db2.gz MEKDZVLJXPTXPP-UHFFFAOYSA-N 0 3 318.377 1.993 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](O)C[C@@H]1C ZINC000340904200 251267450 /nfs/dbraw/zinc/26/74/50/251267450.db2.gz JAGOJEHLMOKFGU-JQWIXIFHSA-N 0 3 323.349 1.387 20 5 DDBDHN CSCC[C@@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269138229 207268159 /nfs/dbraw/zinc/26/81/59/207268159.db2.gz XLLCHJIQJDNJLE-LLVKDONJSA-N 0 3 317.798 1.945 20 5 DDBDHN O=[N+]([O-])c1cnc2ccc(N3CC[C@H](N4CCCCC4)C3)nn21 ZINC000408058470 285185867 /nfs/dbraw/zinc/18/58/67/285185867.db2.gz JYEBSXFAAUWTBV-LBPRGKRZSA-N 0 3 316.365 1.702 20 5 DDBDHN Cc1ccc([C@@H](C)NC[C@H](O)Cn2ccnn2)cc1[N+](=O)[O-] ZINC000414178499 224309065 /nfs/dbraw/zinc/30/90/65/224309065.db2.gz KAWAWZJVGRTTIW-YPMHNXCESA-N 0 3 305.338 1.206 20 5 DDBDHN CN(CCN1CCCC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000103120200 407331529 /nfs/dbraw/zinc/33/15/29/407331529.db2.gz VBQCATBHOKOMHB-UHFFFAOYSA-N 0 3 307.350 1.528 20 5 DDBDHN C[C@]1(O)CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000124923037 407373911 /nfs/dbraw/zinc/37/39/11/407373911.db2.gz DUJKMJLQPYTLEM-HNNXBMFYSA-N 0 3 307.350 1.770 20 5 DDBDHN C[C@@H]1c2ccccc2CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266540021 407551255 /nfs/dbraw/zinc/55/12/55/407551255.db2.gz PRXSKKMKVQBXKL-DOMZBBRYSA-N 0 3 316.361 1.772 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000171067822 407585181 /nfs/dbraw/zinc/58/51/81/407585181.db2.gz SCCBIVDBQNRPFS-LLVKDONJSA-N 0 3 308.338 1.771 20 5 DDBDHN CN(C)[C@]1(CNC(=O)c2csc([N+](=O)[O-])c2)CCSC1 ZINC000267054929 407730495 /nfs/dbraw/zinc/73/04/95/407730495.db2.gz ANXAOBMESCJWPM-LBPRGKRZSA-N 0 3 315.420 1.823 20 5 DDBDHN CCOC(=O)CC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000267045099 407727322 /nfs/dbraw/zinc/72/73/22/407727322.db2.gz DYHSLDMEMVIVLK-UHFFFAOYSA-N 0 3 310.354 1.457 20 5 DDBDHN CN(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCSC1 ZINC000267085552 407740245 /nfs/dbraw/zinc/74/02/45/407740245.db2.gz HJWFBYNBZHXAHA-GFCCVEGCSA-N 0 3 315.420 1.823 20 5 DDBDHN CC(C)[C@H](CNCc1ccccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000236682746 407749253 /nfs/dbraw/zinc/74/92/53/407749253.db2.gz SRZUMVHOKHAVCH-KRWDZBQOSA-N 0 3 320.437 1.956 20 5 DDBDHN CN1CCC[C@@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000171750440 407758306 /nfs/dbraw/zinc/75/83/06/407758306.db2.gz SRJIUVTUWHZDJJ-LBPRGKRZSA-N 0 3 306.366 1.736 20 5 DDBDHN CC[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(C)noc1C ZINC000182394425 306704498 /nfs/dbraw/zinc/70/44/98/306704498.db2.gz UAPLUPYQMXEJBV-CHWSQXEVSA-N 0 3 323.353 1.498 20 5 DDBDHN CCOC(=O)c1ccnc(NC[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000133474364 407847236 /nfs/dbraw/zinc/84/72/36/407847236.db2.gz MLHTZLQPTWIMHC-JTQLQIEISA-N 0 3 308.338 1.673 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000268252999 407970464 /nfs/dbraw/zinc/97/04/64/407970464.db2.gz XGELCMDOAKECKZ-ABAIWWIYSA-N 0 3 319.361 1.573 20 5 DDBDHN CN(CC(=O)NC1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000175066853 408042126 /nfs/dbraw/zinc/04/21/26/408042126.db2.gz YLRZZUBIMJVDQR-UHFFFAOYSA-N 0 3 306.366 1.241 20 5 DDBDHN Cc1nc(N2CCN(CC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000268439297 408044169 /nfs/dbraw/zinc/04/41/69/408044169.db2.gz CRGHWVTXTVQDMY-UHFFFAOYSA-N 0 3 320.393 1.847 20 5 DDBDHN COc1cc(C(=O)N2C[C@@H](C)NC[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000272589899 407996977 /nfs/dbraw/zinc/99/69/77/407996977.db2.gz PJBRRXIBHNBZRP-NXEZZACHSA-N 0 3 323.349 1.434 20 5 DDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](N(C)C)C1 ZINC000245819692 408076873 /nfs/dbraw/zinc/07/68/73/408076873.db2.gz UGANIMXVOKTLCZ-SWLSCSKDSA-N 0 3 320.393 1.948 20 5 DDBDHN Cn1cccc1[C@@H]1CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000175492937 408146608 /nfs/dbraw/zinc/14/66/08/408146608.db2.gz AKJYTKNBPAHZKU-ZFWWWQNUSA-N 0 3 319.365 1.328 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN(CCO)[C@@H]2CCc3ccccc32)n1 ZINC000176242630 408322419 /nfs/dbraw/zinc/32/24/19/408322419.db2.gz FRUCHYSLPTTYSD-OAHLLOKOSA-N 0 3 316.361 1.773 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000247229793 408432923 /nfs/dbraw/zinc/43/29/23/408432923.db2.gz CYWCVXRBMAGIBZ-YPMHNXCESA-N 0 3 323.397 1.288 20 5 DDBDHN Cc1cc(C(=O)NC[C@H](O)CN2CCCCC2)cc([N+](=O)[O-])c1 ZINC000160590077 408501095 /nfs/dbraw/zinc/50/10/95/408501095.db2.gz XBUBUKAWWIXTAH-HNNXBMFYSA-N 0 3 321.377 1.480 20 5 DDBDHN CN(CCNC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000270369445 408506893 /nfs/dbraw/zinc/50/68/93/408506893.db2.gz UTUWPYQBOZXGBQ-UHFFFAOYSA-N 0 3 306.366 1.531 20 5 DDBDHN C[C@@]1(O)CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248470451 408575009 /nfs/dbraw/zinc/57/50/09/408575009.db2.gz VCZWPRXSMCASAO-IUODEOHRSA-N 0 3 310.350 1.181 20 5 DDBDHN CN(C)C/C=C/C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265616937 408715496 /nfs/dbraw/zinc/71/54/96/408715496.db2.gz JASYRTSSYGXEAN-ONEGZZNKSA-N 0 3 318.377 1.361 20 5 DDBDHN CNC(=O)c1ccc(N(CCN(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000185441074 408807883 /nfs/dbraw/zinc/80/78/83/408807883.db2.gz QHVOCQVZPLOQJI-UHFFFAOYSA-N 0 3 308.382 1.731 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000249599049 408748963 /nfs/dbraw/zinc/74/89/63/408748963.db2.gz XQKFUJGWWZLFAB-UXIGCNINSA-N 0 3 310.350 1.037 20 5 DDBDHN CO[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000281674573 408907860 /nfs/dbraw/zinc/90/78/60/408907860.db2.gz LWIYKCOUAJRHLT-MGPQQGTHSA-N 0 3 324.377 1.834 20 5 DDBDHN CSc1cccc(C(=O)NC[C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000188075900 163040383 /nfs/dbraw/zinc/04/03/83/163040383.db2.gz CYRHYJRXBRIIIZ-JTQLQIEISA-N 0 3 309.391 1.998 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000194707743 163294611 /nfs/dbraw/zinc/29/46/11/163294611.db2.gz SWJZDQUOEWHQFA-JTQLQIEISA-N 0 3 303.322 1.295 20 5 DDBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)CN(C)C ZINC000291891224 408940593 /nfs/dbraw/zinc/94/05/93/408940593.db2.gz PDHOMLAXZHXUIV-SNVBAGLBSA-N 0 3 315.395 1.608 20 5 DDBDHN C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCN(C2CCC2)C1 ZINC000292510043 409033908 /nfs/dbraw/zinc/03/39/08/409033908.db2.gz YAZAOFINFHRENX-GFCCVEGCSA-N 0 3 321.381 1.124 20 5 DDBDHN C[C@H](N[C@@H]1CCOC[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000278017599 409052287 /nfs/dbraw/zinc/05/22/87/409052287.db2.gz WFLGHYFZXJEHGE-COPLHBTASA-N 0 3 307.350 1.936 20 5 DDBDHN CN(CCCN1CCN(C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000287583671 409059601 /nfs/dbraw/zinc/05/96/01/409059601.db2.gz XPIZZJGOMZSJCN-UHFFFAOYSA-N 0 3 310.373 1.808 20 5 DDBDHN CS(=O)(=O)CCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278868934 409103862 /nfs/dbraw/zinc/10/38/62/409103862.db2.gz WUUGPUWHKWABKI-CQSZACIVSA-N 0 3 312.391 1.997 20 5 DDBDHN O=C1C[C@]2(CCN(CCOc3cccc([N+](=O)[O-])c3)C2)CN1 ZINC000278916329 409112518 /nfs/dbraw/zinc/11/25/18/409112518.db2.gz QYMXWAANRKGXTH-OAHLLOKOSA-N 0 3 305.334 1.186 20 5 DDBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1=CCN(C)CC1 ZINC000283246640 409120933 /nfs/dbraw/zinc/12/09/33/409120933.db2.gz UJYXDYAEQRZHCZ-VIFPVBQESA-N 0 3 322.340 1.696 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000288871126 409190628 /nfs/dbraw/zinc/19/06/28/409190628.db2.gz QYVCRDAMOXDIAS-VIFPVBQESA-N 0 3 314.773 1.998 20 5 DDBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCN1C ZINC000284195880 409293925 /nfs/dbraw/zinc/29/39/25/409293925.db2.gz ZFXGDLQTEGTKKE-UWVGGRQHSA-N 0 3 324.356 1.871 20 5 DDBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)[C@H]2CCOC2)c(Cl)c1 ZINC000280427139 409311227 /nfs/dbraw/zinc/31/12/27/409311227.db2.gz ZUXHPEDLBNTHKG-RYUDHWBXSA-N 0 3 314.769 1.983 20 5 DDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)N(C)C ZINC000290265082 409342352 /nfs/dbraw/zinc/34/23/52/409342352.db2.gz OQHVKTFJIHKSKA-SNVBAGLBSA-N 0 3 322.365 1.162 20 5 DDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC1CCN(C2CCC2)CC1 ZINC000296116581 409433417 /nfs/dbraw/zinc/43/34/17/409433417.db2.gz VRABUKPINFLBBH-UHFFFAOYSA-N 0 3 319.365 1.518 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)CCCC[NH3+] ZINC000313917742 164012471 /nfs/dbraw/zinc/01/24/71/164012471.db2.gz AHUVCSPQYHLSNE-LLVKDONJSA-N 0 3 315.395 1.699 20 5 DDBDHN CC1CCN(C[C@H](O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000303993184 409562210 /nfs/dbraw/zinc/56/22/10/409562210.db2.gz NRJIMNMEDVDLAV-OAHLLOKOSA-N 0 3 321.377 1.417 20 5 DDBDHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357038013 409810313 /nfs/dbraw/zinc/81/03/13/409810313.db2.gz MXMJGVPQAQTVDH-QWRGUYRKSA-N 0 3 307.354 1.027 20 5 DDBDHN CNc1ccc(C(=O)N(C)C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000317348116 409866276 /nfs/dbraw/zinc/86/62/76/409866276.db2.gz DUGCRXKJKYENGM-LBPRGKRZSA-N 0 3 306.366 1.803 20 5 DDBDHN COc1cc(CN2CCCN([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000346631769 410047385 /nfs/dbraw/zinc/04/73/85/410047385.db2.gz DGLFEQCGJFKVHB-ZDUSSCGKSA-N 0 3 323.393 1.492 20 5 DDBDHN CCCN1CCC[C@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357553298 410099772 /nfs/dbraw/zinc/09/97/72/410099772.db2.gz UCIKKZUYVMHIBQ-JTQLQIEISA-N 0 3 307.354 1.375 20 5 DDBDHN COC(=O)COc1ccc(CNCC[C@H](C)F)cc1[N+](=O)[O-] ZINC000339498030 410234903 /nfs/dbraw/zinc/23/49/03/410234903.db2.gz XKLLZRWXFDPWBX-JTQLQIEISA-N 0 3 314.313 1.984 20 5 DDBDHN C[C@@H](CN1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000299079975 410513227 /nfs/dbraw/zinc/51/32/27/410513227.db2.gz HAPSXFFRIPEXDP-MNOVXSKESA-N 0 3 321.381 1.621 20 5 DDBDHN Cc1c(CNC(=O)N[C@H]2CCN(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000358605128 410493619 /nfs/dbraw/zinc/49/36/19/410493619.db2.gz HULYAEWPPNNNLH-ZDUSSCGKSA-N 0 3 318.377 1.939 20 5 DDBDHN Cc1ccn(CCCN2CCN(C(C)C)CC2)c(=O)c1[N+](=O)[O-] ZINC000347707687 410680936 /nfs/dbraw/zinc/68/09/36/410680936.db2.gz YASYOBDYHSNRQW-UHFFFAOYSA-N 0 3 322.409 1.481 20 5 DDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000356464300 411044219 /nfs/dbraw/zinc/04/42/19/411044219.db2.gz SVQSWPGPCMFKGC-LLVKDONJSA-N 0 3 307.354 1.029 20 5 DDBDHN O=[N+]([O-])c1ccccc1CN1CC[C@@H](CN2CCOCC2)C1 ZINC000129574803 196058477 /nfs/dbraw/zinc/05/84/77/196058477.db2.gz BPRXYBZLLXHNCM-AWEZNQCLSA-N 0 3 305.378 1.749 20 5 DDBDHN O=C(NCC1CCN(CCO)CC1)c1ccc([N+](=O)[O-])s1 ZINC000132605787 196269823 /nfs/dbraw/zinc/26/98/23/196269823.db2.gz JYQMUWIBESQLOU-UHFFFAOYSA-N 0 3 313.379 1.090 20 5 DDBDHN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)[C@H](C)CN1CCO ZINC000419331832 226121203 /nfs/dbraw/zinc/12/12/03/226121203.db2.gz RXEGQPRARFJCJK-ZIAGYGMSSA-N 0 3 323.393 1.361 20 5 DDBDHN C[C@H]1CCCCN1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290507287 418576849 /nfs/dbraw/zinc/57/68/49/418576849.db2.gz LGIHTFAFNWQDHY-JTQLQIEISA-N 0 3 307.354 1.375 20 5 DDBDHN CC1(C)[C@H](O)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361403214 418646030 /nfs/dbraw/zinc/64/60/30/418646030.db2.gz NFYCZFSURSATDG-TZMCWYRMSA-N 0 3 310.350 1.180 20 5 DDBDHN O=[N+]([O-])c1cnn([C@H]2CCCN(CCCN3CCOCC3)C2)c1 ZINC000375404194 418636284 /nfs/dbraw/zinc/63/62/84/418636284.db2.gz NPRMPOYEFKFXGN-AWEZNQCLSA-N 0 3 323.397 1.151 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H](n3cccn3)C2)c1 ZINC000368269712 418712946 /nfs/dbraw/zinc/71/29/46/418712946.db2.gz NADPGSWZQSMRDC-LSDHHAIUSA-N 0 3 302.334 1.772 20 5 DDBDHN CCO[C@@H]1COCC[C@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000362019185 418740034 /nfs/dbraw/zinc/74/00/34/418740034.db2.gz UPROJUMDANSDQS-HUUCEWRRSA-N 0 3 310.350 1.757 20 5 DDBDHN Cc1c(CN[C@@H](C2CC2)[C@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000423071725 227336698 /nfs/dbraw/zinc/33/66/98/227336698.db2.gz ICDMGJUOXPJSFQ-CVEARBPZSA-N 0 3 305.378 1.760 20 5 DDBDHN CC(C)N(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000411148812 418873637 /nfs/dbraw/zinc/87/36/37/418873637.db2.gz TVARLSWCJWNFGB-UHFFFAOYSA-N 0 3 308.338 1.119 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H](CO)[C@@H]1CCCOC1 ZINC000411983750 419542214 /nfs/dbraw/zinc/54/22/14/419542214.db2.gz GKXWJNAINXSZHY-OCCSQVGLSA-N 0 3 310.350 1.481 20 5 DDBDHN CC(C)N(CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCC(=O)N1 ZINC000412082292 419632141 /nfs/dbraw/zinc/63/21/41/419632141.db2.gz OZFJOAQHYKSYLW-CYBMUJFWSA-N 0 3 321.377 1.963 20 5 DDBDHN COc1cccc(C(=O)N(C)C[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000421709845 419694904 /nfs/dbraw/zinc/69/49/04/419694904.db2.gz HKVLXAYGWAEIJC-NSHDSACASA-N 0 3 307.350 1.770 20 5 DDBDHN C[C@H]1CCN[C@@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000423823642 420209275 /nfs/dbraw/zinc/20/92/75/420209275.db2.gz IMHGZNFIOKAFDE-IINYFYTJSA-N 0 3 304.350 1.263 20 5 DDBDHN COc1cc(CN2CC[C@H](c3nc[nH]n3)C2)c([N+](=O)[O-])cc1F ZINC000425551742 420414981 /nfs/dbraw/zinc/41/49/81/420414981.db2.gz QUIDNAVPNSTFFG-VIFPVBQESA-N 0 3 321.312 1.850 20 5 DDBDHN CC1(C)OCC[C@@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451245528 420595761 /nfs/dbraw/zinc/59/57/61/420595761.db2.gz UCAXHKIRZGWGJN-KBPBESRZSA-N 0 3 319.361 1.857 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCC[C@]1(C)CO ZINC000493390958 420836509 /nfs/dbraw/zinc/83/65/09/420836509.db2.gz VMZLMBQUUONHEZ-GDBMZVCRSA-N 0 3 321.377 1.982 20 5 DDBDHN COCCNCCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493544915 420878913 /nfs/dbraw/zinc/87/89/13/420878913.db2.gz CEANPWPGTNAPMT-HYXAFXHYSA-N 0 3 311.313 1.099 20 5 DDBDHN COc1cc(CCNC(=O)C2(N)CCC2)c([N+](=O)[O-])cc1OC ZINC000449183861 420965993 /nfs/dbraw/zinc/96/59/93/420965993.db2.gz LOVNUENPBYEXKU-UHFFFAOYSA-N 0 3 323.349 1.152 20 5 DDBDHN COc1cc(CNC[C@H](O)C2CCC2)c([N+](=O)[O-])cc1OC ZINC000449741906 421071068 /nfs/dbraw/zinc/07/10/68/421071068.db2.gz XBJHTUJOCKAYMF-ZDUSSCGKSA-N 0 3 310.350 1.863 20 5 DDBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548386068 421431572 /nfs/dbraw/zinc/43/15/72/421431572.db2.gz YGYPHONTTFSNJH-QWRGUYRKSA-N 0 3 321.381 1.422 20 5 DDBDHN CC[C@@H]1CN(C)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514649902 421442425 /nfs/dbraw/zinc/44/24/25/421442425.db2.gz OCLZXUWIPLSZRH-KGLIPLIRSA-N 0 3 323.393 1.361 20 5 DDBDHN CN1CCN(C)[C@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563418844 421506689 /nfs/dbraw/zinc/50/66/89/421506689.db2.gz QINQVXDWMRYTBR-DOMZBBRYSA-N 0 3 304.394 1.418 20 5 DDBDHN C[C@H]1C[C@H](CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000554446019 421640673 /nfs/dbraw/zinc/64/06/73/421640673.db2.gz WZZJRKOKFUQTTN-UONOGXRCSA-N 0 3 320.393 1.927 20 5 DDBDHN Cc1cc(NC(=O)N2CCN(C)C[C@@H]2CN)ccc1[N+](=O)[O-] ZINC000580880965 421853361 /nfs/dbraw/zinc/85/33/61/421853361.db2.gz IPJOMTUQOKRROJ-LBPRGKRZSA-N 0 3 307.354 1.010 20 5 DDBDHN Cc1ncc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000574191305 422073829 /nfs/dbraw/zinc/07/38/29/422073829.db2.gz BRNUKDPYCAWTLC-NSHDSACASA-N 0 3 323.374 1.889 20 5 DDBDHN COCCN(CCN(C)C)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000574991436 422231264 /nfs/dbraw/zinc/23/12/64/422231264.db2.gz XZTICTRYEUIZBW-UHFFFAOYSA-N 0 3 309.366 1.553 20 5 DDBDHN C[C@@H]1CN(CCCCNc2ccc(N)c([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000590584697 422320913 /nfs/dbraw/zinc/32/09/13/422320913.db2.gz ACIYOHRFQBJYKB-VXGBXAGGSA-N 0 3 323.397 1.873 20 5 DDBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000597605243 422388732 /nfs/dbraw/zinc/38/87/32/422388732.db2.gz OTQWARRXCOUBTG-LLVKDONJSA-N 0 3 321.381 1.588 20 5 DDBDHN CN1CCC(C(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000096624943 263335770 /nfs/dbraw/zinc/33/57/70/263335770.db2.gz QNOIZFJEOKMUGX-UHFFFAOYSA-N 0 3 306.366 1.465 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2CCOCC2)cc1 ZINC000342356137 271387145 /nfs/dbraw/zinc/38/71/45/271387145.db2.gz LKLDBIZDRVCPAD-UHFFFAOYSA-N 0 3 314.363 1.137 20 5 DDBDHN CNC(=O)c1ccc(N[C@@H]2CCCN(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000343596264 271812372 /nfs/dbraw/zinc/81/23/72/271812372.db2.gz GVJTXWZAQRMWTG-CMPLNLGQSA-N 0 3 306.366 1.849 20 5 DDBDHN Cc1n[nH]c(C(=O)NC[C@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344673730 272086448 /nfs/dbraw/zinc/08/64/48/272086448.db2.gz MPZMOHGNPARIKT-SNVBAGLBSA-N 0 3 309.370 1.477 20 5 DDBDHN COCCN(C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273386961 274023053 /nfs/dbraw/zinc/02/30/53/274023053.db2.gz JHEZJEXCIDBCON-UHFFFAOYSA-N 0 3 314.317 1.434 20 5 DDBDHN CC1(C)CCCN[C@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423832408 276107046 /nfs/dbraw/zinc/10/70/46/276107046.db2.gz XYZNYQWQGOBXCU-AWEZNQCLSA-N 0 3 318.377 1.653 20 5 DDBDHN CCN1CC[C@@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000290814671 279398372 /nfs/dbraw/zinc/39/83/72/279398372.db2.gz RQZRQIRZHWGZRH-CMPLNLGQSA-N 0 3 321.381 1.255 20 5 DDBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCN1CCCC1 ZINC000089899065 281027715 /nfs/dbraw/zinc/02/77/15/281027715.db2.gz MBMIQRNYHCOFLP-ZDUSSCGKSA-N 0 3 320.393 1.949 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000357911255 299018255 /nfs/dbraw/zinc/01/82/55/299018255.db2.gz ROWSDEGPZZIVCY-NSHDSACASA-N 0 3 319.361 1.984 20 5 DDBDHN Cn1nccc1[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000363327063 300251821 /nfs/dbraw/zinc/25/18/21/300251821.db2.gz IZAHKWPCXLDNTJ-LBPRGKRZSA-N 0 3 304.354 1.404 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C[C@@H]21 ZINC000364307977 300373134 /nfs/dbraw/zinc/37/31/34/300373134.db2.gz NTTLXUNWYNSWHL-YGRLFVJLSA-N 0 3 304.350 1.343 20 5 DDBDHN CCC[C@H](C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N(C)C ZINC000364366908 300384986 /nfs/dbraw/zinc/38/49/86/300384986.db2.gz AESNPONYBJLGTP-GXTWGEPZSA-N 0 3 323.397 1.685 20 5 DDBDHN N=C(NO)[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000367464335 300849161 /nfs/dbraw/zinc/84/91/61/300849161.db2.gz RRLZOPUUCNPULD-NSHDSACASA-N 0 3 323.309 1.814 20 5 DDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)N1CCCC[C@H]1C ZINC000532134477 303276207 /nfs/dbraw/zinc/27/62/07/303276207.db2.gz ZCMFMQXNBZBRBK-NEPJUHHUSA-N 0 3 306.366 1.983 20 5 DDBDHN O=[N+]([O-])c1ccc(CCN2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000363733873 307034507 /nfs/dbraw/zinc/03/45/07/307034507.db2.gz UIEPAPWYMWVXIT-SJORKVTESA-N 0 3 319.405 1.668 20 5 DDBDHN C[C@H](N[C@@H]1C[C@H](O)C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000577290579 308377651 /nfs/dbraw/zinc/37/76/51/308377651.db2.gz RGSMDQRISPAAAB-BIMULSAOSA-N 0 3 307.350 1.671 20 5 DDBDHN CC(=O)N1CC(N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000580724334 308626780 /nfs/dbraw/zinc/62/67/80/308626780.db2.gz CLLFOUUKVBGAGW-OAHLLOKOSA-N 0 3 303.362 1.736 20 5 DDBDHN Cc1c(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])cnn1C ZINC000584346122 335652031 /nfs/dbraw/zinc/65/20/31/335652031.db2.gz SSKLGSIVGIUYHY-UHFFFAOYSA-N 0 3 317.349 1.755 20 5 DDBDHN COc1cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c([N+](=O)[O-])cc1F ZINC000590767511 483927576 /nfs/dbraw/zinc/92/75/76/483927576.db2.gz ILGYEBQLIKQDOU-ZANVPECISA-N 0 3 323.324 1.519 20 5 DDBDHN O=C(NCC1CCN(CCO)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000111417359 527610073 /nfs/dbraw/zinc/61/00/73/527610073.db2.gz GOLNNHTZAXWMBG-UHFFFAOYSA-N 0 3 322.365 1.421 20 5 DDBDHN CCO[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000451522227 527763974 /nfs/dbraw/zinc/76/39/74/527763974.db2.gz AWNKHJSKUMDDHU-GXTWGEPZSA-N 0 3 309.366 1.503 20 5 DDBDHN C[C@H]1CCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820715697 599084508 /nfs/dbraw/zinc/08/45/08/599084508.db2.gz CQTJEVHWEUTQGW-VIFPVBQESA-N 0 3 318.341 1.066 20 5 DDBDHN C[C@H]1CCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820715697 599084510 /nfs/dbraw/zinc/08/45/10/599084510.db2.gz CQTJEVHWEUTQGW-VIFPVBQESA-N 0 3 318.341 1.066 20 5 DDBDHN C[C@H]1CCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820715697 599084512 /nfs/dbraw/zinc/08/45/12/599084512.db2.gz CQTJEVHWEUTQGW-VIFPVBQESA-N 0 3 318.341 1.066 20 5 DDBDHN C[C@H]1CCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820715697 599084514 /nfs/dbraw/zinc/08/45/14/599084514.db2.gz CQTJEVHWEUTQGW-VIFPVBQESA-N 0 3 318.341 1.066 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)C2CCC2)CC1 ZINC000989840746 698790474 /nfs/dbraw/zinc/79/04/74/698790474.db2.gz JCBALTAIDGQPBQ-UHFFFAOYSA-N 0 3 321.381 1.209 20 5 DDBDHN Nc1c(F)c(NC[C@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000785801484 699102653 /nfs/dbraw/zinc/10/26/53/699102653.db2.gz RENPUGLXZAKPHK-UWVGGRQHSA-N 0 3 310.329 1.591 20 5 DDBDHN CN1CCN(C2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)CC1 ZINC000866213820 706651151 /nfs/dbraw/zinc/65/11/51/706651151.db2.gz ZRZNDXSTTMHVRU-UHFFFAOYSA-N 0 3 319.409 1.393 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)[C@H]2C1 ZINC000816950100 702233923 /nfs/dbraw/zinc/23/39/23/702233923.db2.gz LVEWAWGJOSJTTG-YGRLFVJLSA-N 0 3 323.324 1.275 20 5 DDBDHN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813101780 702291058 /nfs/dbraw/zinc/29/10/58/702291058.db2.gz IRDXQRUDBBXPIQ-AEJSXWLSSA-N 0 3 304.368 1.142 20 5 DDBDHN CC(COC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)[N+](=O)[O-] ZINC000813109400 702295545 /nfs/dbraw/zinc/29/55/45/702295545.db2.gz RUEBHVSDJGSQET-GXSJLCMTSA-N 0 3 313.331 1.156 20 5 DDBDHN CC(COC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2)[N+](=O)[O-] ZINC000813110464 702296287 /nfs/dbraw/zinc/29/62/87/702296287.db2.gz BETXICVCRNXOEB-JLLWLGSASA-N 0 3 307.302 1.770 20 5 DDBDHN CC(COC(=O)C[C@H](C)NC(=O)C1CCCCC1)[N+](=O)[O-] ZINC000813110074 702296428 /nfs/dbraw/zinc/29/64/28/702296428.db2.gz ZEBFNBUAAFTZTQ-WDEREUQCSA-N 0 3 300.355 1.670 20 5 DDBDHN CC(COC(=O)C[C@@H](c1ccccc1)N1CCOC1=O)[N+](=O)[O-] ZINC000813113651 702297900 /nfs/dbraw/zinc/29/79/00/702297900.db2.gz SCFRUERSHTZPRH-AAEUAGOBSA-N 0 3 322.317 1.778 20 5 DDBDHN CCS(=O)(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813114248 702299102 /nfs/dbraw/zinc/29/91/02/702299102.db2.gz OHPWHBLCARRYKB-SECBINFHSA-N 0 3 301.320 1.302 20 5 DDBDHN CN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000846615163 703303922 /nfs/dbraw/zinc/30/39/22/703303922.db2.gz XPLICYLUBGZPHD-UHFFFAOYSA-N 0 3 324.356 1.874 20 5 DDBDHN CC(COC(=O)c1ccc2[nH]c(=O)n(C3CC3)c2c1)[N+](=O)[O-] ZINC000851036919 703774992 /nfs/dbraw/zinc/77/49/92/703774992.db2.gz NQUCJIFKMUBQCT-QMMMGPOBSA-N 0 3 305.290 1.899 20 5 DDBDHN CC([C@@H](OC(=O)[C@H]1CCC(=O)O1)c1ccccc1F)[N+](=O)[O-] ZINC000870454445 704043676 /nfs/dbraw/zinc/04/36/76/704043676.db2.gz KYKVWEBOWKBYTI-XTWCZFFVSA-N 0 3 311.265 1.781 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@](O)(C3CC3)C2)c1 ZINC000852500984 704064357 /nfs/dbraw/zinc/06/43/57/704064357.db2.gz HFWBVBZQQYVKLA-HZPDHXFCSA-N 0 3 306.362 1.865 20 5 DDBDHN CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1CCN(C)C1 ZINC000855360481 704480976 /nfs/dbraw/zinc/48/09/76/704480976.db2.gz LYIQVGCUCRLZCY-SECBINFHSA-N 0 3 310.329 1.482 20 5 DDBDHN CC(C)[C@@H]([NH3+])C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765578 704622271 /nfs/dbraw/zinc/62/22/71/704622271.db2.gz RJNZTLJVYADYRU-NSHDSACASA-N 0 3 317.292 1.666 20 5 DDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000874850083 705203270 /nfs/dbraw/zinc/20/32/70/705203270.db2.gz NUJBKPZLAIGDOE-CHWSQXEVSA-N 0 3 304.350 1.486 20 5 DDBDHN COCCN1CCC[C@H]1COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000861033845 705353759 /nfs/dbraw/zinc/35/37/59/705353759.db2.gz VJQYAPQCDXCXAE-AWEZNQCLSA-N 0 3 308.334 1.862 20 5 DDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](N)CN(C)C ZINC000876615415 705784954 /nfs/dbraw/zinc/78/49/54/705784954.db2.gz DXGXCOKVNAWQSY-AWEZNQCLSA-N 0 3 308.382 1.221 20 5 DDBDHN O=[N+]([O-])c1ccc(CCNCCS(=O)(=O)CC2CC2)cc1 ZINC000877110232 705986510 /nfs/dbraw/zinc/98/65/10/705986510.db2.gz NNDFJZLFKMHSTD-UHFFFAOYSA-N 0 3 312.391 1.552 20 5 DDBDHN CCN1C(=O)C[C@H](C(=O)OCC(C)[N+](=O)[O-])[C@H]1c1cccnc1 ZINC000835455208 707256001 /nfs/dbraw/zinc/25/60/01/707256001.db2.gz NCSHTDGPOCATEY-SCDSUCTJSA-N 0 3 321.333 1.200 20 5 DDBDHN Cc1cc(N2C[C@@H]3CCCN3C[C@@H]2CO)c(F)cc1[N+](=O)[O-] ZINC000872757857 707587313 /nfs/dbraw/zinc/58/73/13/707587313.db2.gz MZSGXWMZYRYHFO-NWDGAFQWSA-N 0 3 309.341 1.688 20 5 DDBDHN COc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H]1CCCN2CCO ZINC000897219632 708257213 /nfs/dbraw/zinc/25/72/13/708257213.db2.gz MEXGMYHIKGALJH-QWHCGFSZSA-N 0 3 322.365 1.034 20 5 DDBDHN O=[N+]([O-])c1ncccc1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000886034772 708685833 /nfs/dbraw/zinc/68/58/33/708685833.db2.gz FYJWGAZOFFQQCA-CYBMUJFWSA-N 0 3 306.366 1.144 20 5 DDBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2C)[C@H](C)C1 ZINC000910291686 709870909 /nfs/dbraw/zinc/87/09/09/709870909.db2.gz DUHQUBQGQZAVEW-LLVKDONJSA-N 0 3 306.366 1.855 20 5 DDBDHN CCN1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000910296676 709874370 /nfs/dbraw/zinc/87/43/70/709874370.db2.gz ODCXGZFXUTUIRD-CYBMUJFWSA-N 0 3 321.377 1.916 20 5 DDBDHN C[C@@H](NC(=O)[C@@H]1CN2CCN1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000928249272 713157345 /nfs/dbraw/zinc/15/73/45/713157345.db2.gz RFGYLYCKLAEGKR-DOMZBBRYSA-N 0 3 318.377 1.162 20 5 DDBDHN CCOc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928452605 713203692 /nfs/dbraw/zinc/20/36/92/713203692.db2.gz NFAFISGKRFEFLQ-PWSUYJOCSA-N 0 3 307.350 1.816 20 5 DDBDHN COc1cc([C@H](C)NC[C@@H]2CN(C)CCN2C)cc([N+](=O)[O-])c1 ZINC000903091853 711029749 /nfs/dbraw/zinc/02/97/49/711029749.db2.gz BMJJVKYGMXKSJU-SWLSCSKDSA-N 0 3 322.409 1.500 20 5 DDBDHN Cc1c(C(=O)N(CCO)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000911936444 711076605 /nfs/dbraw/zinc/07/66/05/711076605.db2.gz AGQWPBPJQHORRF-UHFFFAOYSA-N 0 3 321.377 1.432 20 5 DDBDHN C[C@H]1[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCN1C ZINC000895737533 711590883 /nfs/dbraw/zinc/59/08/83/711590883.db2.gz AZFLAUXCEGRXHF-GXFFZTMASA-N 0 3 318.377 1.992 20 5 DDBDHN CC[C@@H](CN1CCOCC1)NCc1ccc([N+](=O)[O-])cc1F ZINC000922593377 714096184 /nfs/dbraw/zinc/09/61/84/714096184.db2.gz ZXWZECVOIGBEPA-ZDUSSCGKSA-N 0 3 311.357 1.934 20 5 DDBDHN CN1CCN(C)CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000933997465 714718901 /nfs/dbraw/zinc/71/89/01/714718901.db2.gz WBXNRLIRTQCERK-UHFFFAOYSA-N 0 3 310.373 1.413 20 5 DDBDHN O=C(NCCNCc1c(F)cccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC001126931858 742774573 /nfs/dbraw/zinc/77/45/73/742774573.db2.gz CFMCYMPBVOWTJC-PRHODGIISA-N 0 3 315.732 1.350 20 5 DDBDHN Cc1cn(C)nc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126949766 743007052 /nfs/dbraw/zinc/00/70/52/743007052.db2.gz YUAIQWYPTVVMNJ-UHFFFAOYSA-N 0 3 317.349 1.156 20 5 DDBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc(CC[C@H]2COCCN2)n1 ZINC001212189462 744339469 /nfs/dbraw/zinc/33/94/69/744339469.db2.gz FYPDXTHRAULGOZ-VIFPVBQESA-N 0 3 323.284 1.100 20 5 DDBDHN CCN(CC)CC(=O)NC/C=C/CNc1ncccc1[N+](=O)[O-] ZINC001107204107 749585887 /nfs/dbraw/zinc/58/58/87/749585887.db2.gz JKCIXWBABFSIOU-AATRIKPKSA-N 0 3 321.381 1.416 20 5 DDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(Cc3ccccn3)CC2)C1 ZINC001169025320 762203630 /nfs/dbraw/zinc/20/36/30/762203630.db2.gz YPIICSGFOJSZDH-ZBFHGGJFSA-N 0 3 304.394 1.645 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-n1nncc1CN ZINC001169311955 762336097 /nfs/dbraw/zinc/33/60/97/762336097.db2.gz VRPRJLUALIZULO-UHFFFAOYSA-N 0 3 311.685 1.074 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1NC1CN(c3ncccn3)C1)CNC2 ZINC001170133014 765499490 /nfs/dbraw/zinc/49/94/90/765499490.db2.gz UYJQUDSUVCGGAL-UHFFFAOYSA-N 0 3 312.333 1.289 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001132679369 769088704 /nfs/dbraw/zinc/08/87/04/769088704.db2.gz YZPBOSYYKJGMJT-WDNDVIMCSA-N 0 3 303.362 1.847 20 5 DDBDHN Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@H](C)[C@@H]2CNCCO2)n1 ZINC001159496535 771605186 /nfs/dbraw/zinc/60/51/86/771605186.db2.gz JPGKROVBPJXJIF-XPUUQOCRSA-N 0 3 301.734 1.135 20 5 DDBDHN COCCC(C)(C)C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001146223059 772820351 /nfs/dbraw/zinc/82/03/51/772820351.db2.gz SLQDERRDPRXNFW-UHFFFAOYSA-N 0 3 323.393 1.863 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C2(N(C)C)CCC2)c1 ZINC001093926908 775219274 /nfs/dbraw/zinc/21/92/74/775219274.db2.gz QAEORKPXAAWKAJ-UHFFFAOYSA-N 0 3 320.393 1.916 20 5 DDBDHN CCCN(C)CC(=O)NCCN(CC)c1ccc([N+](=O)[O-])cn1 ZINC001100576556 776320117 /nfs/dbraw/zinc/32/01/17/776320117.db2.gz ILCPWKXLFBECPV-UHFFFAOYSA-N 0 3 323.397 1.274 20 5 DDBDHN CN1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001178709986 779154498 /nfs/dbraw/zinc/15/44/98/779154498.db2.gz UAWOKBKEAMLKOV-ZDUSSCGKSA-N 0 3 306.366 1.463 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1N1CC[C@H]2[C@H]1CCCN2CCO ZINC001119984890 781709053 /nfs/dbraw/zinc/70/90/53/781709053.db2.gz WZNLULNCDVLPPQ-QWHCGFSZSA-N 0 3 306.366 1.334 20 5 DDBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)n1 ZINC001150120264 862100288 /nfs/dbraw/zinc/10/02/88/862100288.db2.gz UWVZJAYITBMNDV-XPTSAGLGSA-N 0 3 304.350 1.511 20 5 DDBDHN CN(C)CCn1nccc1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000900401070 856470628 /nfs/dbraw/zinc/47/06/28/856470628.db2.gz ALHRLOXXTRMEIT-UHFFFAOYSA-N 0 3 317.349 1.283 20 5 DDBDHN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC001121931899 858638396 /nfs/dbraw/zinc/63/83/96/858638396.db2.gz TVHKSQRTXKKURK-FDRIWYBQSA-N 0 3 303.362 1.907 20 5 DDBDHN CCN1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C(C)(C)C1 ZINC001156827368 863372711 /nfs/dbraw/zinc/37/27/11/863372711.db2.gz CCFZCYYAUYSMGK-LBPRGKRZSA-N 0 3 324.356 1.776 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001329416379 863654359 /nfs/dbraw/zinc/65/43/59/863654359.db2.gz LLEKPUMEEMDPAA-TZMCWYRMSA-N 0 3 307.350 1.229 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC001332403319 865816695 /nfs/dbraw/zinc/81/66/95/865816695.db2.gz PVVNHMYDBNDLAQ-HZMBPMFUSA-N 0 3 304.350 1.713 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CC1(C)CC1 ZINC001162770991 867811973 /nfs/dbraw/zinc/81/19/73/867811973.db2.gz XSOKHTXXHYGMMO-UHFFFAOYSA-N 0 3 309.370 1.114 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC001335230801 868158137 /nfs/dbraw/zinc/15/81/37/868158137.db2.gz REBSTVOKKFOCFN-ABAIWWIYSA-N 0 3 318.377 1.755 20 5 DDBDHN CC(C)Oc1nc(-n2cnc3c2CNCC3)ccc1[N+](=O)[O-] ZINC001164316723 869120027 /nfs/dbraw/zinc/12/00/27/869120027.db2.gz FZOIILJVBVUDTR-UHFFFAOYSA-N 0 3 303.322 1.608 20 5 DDBDHN CN1CCCC[C@@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001339264380 870427221 /nfs/dbraw/zinc/42/72/21/870427221.db2.gz KWMAYMIZBVQCHB-LLVKDONJSA-N 0 3 321.333 1.538 20 5 DDBDHN CC(COC(=O)[C@@H]1CCN(Cc2ccccc2)C1=O)[N+](=O)[O-] ZINC001344996367 873214199 /nfs/dbraw/zinc/21/41/99/873214199.db2.gz DVKLRPXJESHXHL-DGCLKSJQSA-N 0 3 306.318 1.244 20 5 DDBDHN COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H]1CN2CCC1CC2 ZINC001222773581 880693545 /nfs/dbraw/zinc/69/35/45/880693545.db2.gz LOTRGDSPPDAPLS-HNNXBMFYSA-N 0 3 320.345 1.992 20 5 DDBDHN NCc1cnnn1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254468200 896453049 /nfs/dbraw/zinc/45/30/49/896453049.db2.gz IIQHNUPOBAWNKT-UHFFFAOYSA-N 0 3 302.338 1.487 20 5 DDBDHN C[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000248994365 282125231 /nfs/dbraw/zinc/12/52/31/282125231.db2.gz XTJXPORVIIWHPV-ZLDLUXBVSA-N 0 3 310.350 1.037 20 5 DDBDHN CC[C@]1(O)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000495209182 529442094 /nfs/dbraw/zinc/44/20/94/529442094.db2.gz APFPIHFKAFOCKW-DOMZBBRYSA-N 0 3 310.350 1.181 20 5 DDBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCCCN1CCO ZINC000452390051 231375114 /nfs/dbraw/zinc/37/51/14/231375114.db2.gz NLVLBCCDCHXJHM-CQSZACIVSA-N 0 3 321.377 1.100 20 5 DDBDHN CCO[C@H]1C[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000090550317 185302276 /nfs/dbraw/zinc/30/22/76/185302276.db2.gz SVLIWMZTHGHALV-KBPBESRZSA-N 0 3 323.393 1.892 20 5 DDBDHN CO[C@@]1(C)C[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000090551327 185302963 /nfs/dbraw/zinc/30/29/63/185302963.db2.gz FCFXUGVRJZIKLR-BBRMVZONSA-N 0 3 323.393 1.892 20 5 DDBDHN C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272773857 210179080 /nfs/dbraw/zinc/17/90/80/210179080.db2.gz XYOUQOCCGWOGKU-JTQLQIEISA-N 0 3 305.338 1.762 20 5 DDBDHN CN1CCC[C@@]2(CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)C2)C1 ZINC000292819015 530059966 /nfs/dbraw/zinc/05/99/66/530059966.db2.gz OTCJIYDFULUHKX-OAHLLOKOSA-N 0 3 319.365 1.011 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000330923162 232167490 /nfs/dbraw/zinc/16/74/90/232167490.db2.gz SGBLICMNESKOFL-CHWSQXEVSA-N 0 3 320.393 1.630 20 5 DDBDHN COC(=O)[C@H]1C[C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000564564556 304001295 /nfs/dbraw/zinc/00/12/95/304001295.db2.gz QHNSZCKYGFELJC-PHIMTYICSA-N 0 3 321.333 1.465 20 5 DDBDHN C[C@H](CN1CCCCC1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000027745095 352222272 /nfs/dbraw/zinc/22/22/72/352222272.db2.gz NZGOZISYVXKMRG-CYBMUJFWSA-N 0 3 321.377 1.964 20 5 DDBDHN COCCN(C)CCCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000041951290 352319686 /nfs/dbraw/zinc/31/96/86/352319686.db2.gz OZSNHBNSRHESLX-UHFFFAOYSA-N 0 3 309.366 1.601 20 5 DDBDHN CNc1ccc(C(=O)NC[C@@H](C)N2CCCC2)cc1[N+](=O)[O-] ZINC000046408844 352451777 /nfs/dbraw/zinc/45/17/77/352451777.db2.gz JRPUCFHLRTWXDO-LLVKDONJSA-N 0 3 306.366 1.851 20 5 DDBDHN Cc1nn(CCC(=O)NC[C@H](C)N(C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000057703852 352825106 /nfs/dbraw/zinc/82/51/06/352825106.db2.gz XYJMGRRSNZLRFR-JTQLQIEISA-N 0 3 323.397 1.397 20 5 DDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1ccncc1[N+](=O)[O-] ZINC000066812064 353017855 /nfs/dbraw/zinc/01/78/55/353017855.db2.gz SCNGHNNSLNDCBZ-CYBMUJFWSA-N 0 3 321.381 1.344 20 5 DDBDHN CNC(=O)c1ccc(N[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000067711408 353064007 /nfs/dbraw/zinc/06/40/07/353064007.db2.gz FAHRYWYIOOCWBP-LLVKDONJSA-N 0 3 304.350 1.603 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000073786987 353270771 /nfs/dbraw/zinc/27/07/71/353270771.db2.gz UKLBSJLPLOQZBI-AWEZNQCLSA-N 0 3 306.366 1.878 20 5 DDBDHN COCCOC[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000174105007 198292043 /nfs/dbraw/zinc/29/20/43/198292043.db2.gz MAQIPKSCXZQCPZ-AWEZNQCLSA-N 0 3 324.377 1.959 20 5 DDBDHN Cc1ccc(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000075712776 353377524 /nfs/dbraw/zinc/37/75/24/353377524.db2.gz UXOFPUZTJBCWPH-LBPRGKRZSA-N 0 3 310.379 1.654 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCc3sccc3C2)c1 ZINC000075718575 353378311 /nfs/dbraw/zinc/37/83/11/353378311.db2.gz ATDQLKUIRBZFFP-CYBMUJFWSA-N 0 3 322.390 1.662 20 5 DDBDHN COC(=O)c1ccnc(NCCN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000590571437 355116563 /nfs/dbraw/zinc/11/65/63/355116563.db2.gz FVNRJJBGOWDZSL-UHFFFAOYSA-N 0 3 322.365 1.920 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)[C@H]2C1 ZINC000590444454 355098368 /nfs/dbraw/zinc/09/83/68/355098368.db2.gz LZJTWHXXBUCMKJ-PELKAZGASA-N 0 3 308.313 1.092 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)[C@@H]2C1 ZINC000590445620 355098870 /nfs/dbraw/zinc/09/88/70/355098870.db2.gz QZZRWDQHDMEHRP-JOYOIKCWSA-N 0 3 319.317 1.100 20 5 DDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408103126 291062371 /nfs/dbraw/zinc/06/23/71/291062371.db2.gz KREGURGQMXYBNQ-WDEREUQCSA-N 0 3 307.354 1.027 20 5 DDBDHN COc1cc(C(=O)N2CCNCC2(C)C)cc([N+](=O)[O-])c1C ZINC000591678486 355360218 /nfs/dbraw/zinc/36/02/18/355360218.db2.gz VCDOYLPIVMUVPE-UHFFFAOYSA-N 0 3 307.350 1.736 20 5 DDBDHN C[C@H]1CCN(CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593499002 355904599 /nfs/dbraw/zinc/90/45/99/355904599.db2.gz KPIBXVOZMQALDS-NSHDSACASA-N 0 3 309.341 1.734 20 5 DDBDHN Cc1ccc(CN2CCN(CCN(C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593655277 355955115 /nfs/dbraw/zinc/95/51/15/355955115.db2.gz BMVRRYUNBQCNBC-UHFFFAOYSA-N 0 3 320.393 1.109 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594025432 356093277 /nfs/dbraw/zinc/09/32/77/356093277.db2.gz LFSIHTKIQZFGKR-AEGPPILISA-N 0 3 305.378 1.715 20 5 DDBDHN C[C@@H](NC(=O)N[C@H](CN)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000594524931 356243325 /nfs/dbraw/zinc/24/33/25/356243325.db2.gz NQKPAUOFJWAZCY-GMSGAONNSA-N 0 3 320.271 1.845 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCc1nnnn1C ZINC000595014302 356372107 /nfs/dbraw/zinc/37/21/07/356372107.db2.gz NSMQDJPQKSEGME-SECBINFHSA-N 0 3 306.326 1.020 20 5 DDBDHN CCCN1CC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000595447612 356496873 /nfs/dbraw/zinc/49/68/73/356496873.db2.gz OIBVAXJFTXVUDW-ZDUSSCGKSA-N 0 3 306.366 1.878 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000595575692 356559162 /nfs/dbraw/zinc/55/91/62/356559162.db2.gz WHEGWVPPAIVPTF-CQSZACIVSA-N 0 3 320.393 1.921 20 5 DDBDHN C[C@@H](O)[C@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595771470 356645745 /nfs/dbraw/zinc/64/57/45/356645745.db2.gz PJEUYFDCULYJAL-UXIGCNINSA-N 0 3 310.350 1.180 20 5 DDBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000598261049 357511850 /nfs/dbraw/zinc/51/18/50/357511850.db2.gz DBENCIAMFDAXNT-NSHDSACASA-N 0 3 309.370 1.179 20 5 DDBDHN Cc1cc(NC[C@H](O)[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000599131717 357824657 /nfs/dbraw/zinc/82/46/57/357824657.db2.gz BDEVOHNTQIVHNA-HOTGVXAUSA-N 0 3 317.345 1.825 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1COCCN1C ZINC000599081685 357808936 /nfs/dbraw/zinc/80/89/36/357808936.db2.gz UFEMJGUYRREWOU-WCQYABFASA-N 0 3 309.366 1.585 20 5 DDBDHN CN1CCC(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000179997851 199104915 /nfs/dbraw/zinc/10/49/15/199104915.db2.gz GBWWFDZSYRTAOW-UHFFFAOYSA-N 0 3 307.306 1.148 20 5 DDBDHN Cc1n[nH]c(C(=O)NC[C@H]2CCN2C2CCCCC2)c1[N+](=O)[O-] ZINC000600227484 358162420 /nfs/dbraw/zinc/16/24/20/358162420.db2.gz DBHRLEXFSZGEKG-GFCCVEGCSA-N 0 3 321.381 1.763 20 5 DDBDHN NC(=O)c1cccc(N2CCN(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000439111789 283385226 /nfs/dbraw/zinc/38/52/26/283385226.db2.gz ZVBTZZGIJWQGQL-UHFFFAOYSA-N 0 3 318.377 1.758 20 5 DDBDHN O=C1[C@@H](NCCc2ccc([N+](=O)[O-])cc2)C[C@@H]2CCCCN12 ZINC000602687834 359125901 /nfs/dbraw/zinc/12/59/01/359125901.db2.gz MTOZMGRVFLMZIM-GJZGRUSLSA-N 0 3 303.362 1.880 20 5 DDBDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602795104 359197487 /nfs/dbraw/zinc/19/74/87/359197487.db2.gz LIYBLNCIPSKAOQ-BXUZGUMPSA-N 0 3 310.354 1.540 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H]2C[C@@]2(O)C1 ZINC000603089674 359395873 /nfs/dbraw/zinc/39/58/73/359395873.db2.gz SGNPGQZTCDIGCQ-IAQYHMDHSA-N 0 3 305.334 1.298 20 5 DDBDHN O=[N+]([O-])c1ccn(CCn2cc(CCN3CCCCC3)nn2)n1 ZINC000603218597 359489994 /nfs/dbraw/zinc/48/99/94/359489994.db2.gz IXVZSONQDRWZJL-UHFFFAOYSA-N 0 3 319.369 1.111 20 5 DDBDHN CNC(=O)[C@@]1(C)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000281062392 216054672 /nfs/dbraw/zinc/05/46/72/216054672.db2.gz KDJQBMTXJZSTDR-HNNXBMFYSA-N 0 3 307.350 1.432 20 5 DDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000237586250 202293243 /nfs/dbraw/zinc/29/32/43/202293243.db2.gz XYBURMXBSGIMJS-NWDGAFQWSA-N 0 3 306.366 1.606 20 5 DDBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NC[C@@H](O)C(F)(F)F)n1 ZINC000618577859 363680710 /nfs/dbraw/zinc/68/07/10/363680710.db2.gz MDGYKSZSNPVGNU-KXUCPTDWSA-N 0 3 322.287 1.788 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000609383035 360303550 /nfs/dbraw/zinc/30/35/50/360303550.db2.gz IKNJFHXSHAPXKU-LBPRGKRZSA-N 0 3 319.361 1.818 20 5 DDBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CC[C@@H](CO)O1 ZINC000292480672 223110863 /nfs/dbraw/zinc/11/08/63/223110863.db2.gz AUEIEFHQJJKLCL-NEPJUHHUSA-N 0 3 300.742 1.878 20 5 DDBDHN O=C(C[C@H]1CSCCN1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000091137866 193003427 /nfs/dbraw/zinc/00/34/27/193003427.db2.gz HBWBERFJOUMDTM-LBPRGKRZSA-N 0 3 309.391 1.349 20 5 DDBDHN CC[C@@H](C)C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000093075646 193200588 /nfs/dbraw/zinc/20/05/88/193200588.db2.gz ZBMKMOTVSGNIIL-LLVKDONJSA-N 0 3 315.395 1.509 20 5 DDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H](N)C1CCOCC1 ZINC000261877138 203141087 /nfs/dbraw/zinc/14/10/87/203141087.db2.gz UEUUHNHJJDWEBI-CQSZACIVSA-N 0 3 307.350 1.307 20 5 DDBDHN CCCc1n[nH]c(C(=O)NC[C@@H]2CCCCN2CC)c1[N+](=O)[O-] ZINC000264954367 204300908 /nfs/dbraw/zinc/30/09/08/204300908.db2.gz VCLHFWKWQWDHLX-NSHDSACASA-N 0 3 323.397 1.875 20 5 DDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)Cn1cccn1 ZINC000282557771 217086846 /nfs/dbraw/zinc/08/68/46/217086846.db2.gz YACNZTLJNMTOCI-HNNXBMFYSA-N 0 3 304.350 1.327 20 5 DDBDHN C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000274026256 211285156 /nfs/dbraw/zinc/28/51/56/211285156.db2.gz MDIZADTWPPZCIL-SNVBAGLBSA-N 0 3 303.322 1.997 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1[C@@H]1CCCO1 ZINC000284669826 218125268 /nfs/dbraw/zinc/12/52/68/218125268.db2.gz GUTZNXJURBHRSG-KBPBESRZSA-N 0 3 307.350 1.400 20 5 DDBDHN CC(C)[C@H](CCO)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000273937989 211193407 /nfs/dbraw/zinc/19/34/07/211193407.db2.gz CYXPUKZINAWZAG-RISCZKNCSA-N 0 3 309.366 1.918 20 5 DDBDHN Cc1ccc(C(=O)NC[C@](C)(O)CCN(C)C)cc1[N+](=O)[O-] ZINC000352119996 284799128 /nfs/dbraw/zinc/79/91/28/284799128.db2.gz HOODCGODBCBAPH-OAHLLOKOSA-N 0 3 309.366 1.336 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@H]2CCN(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000106786758 194251512 /nfs/dbraw/zinc/25/15/12/194251512.db2.gz JXKQSIOHIHFUAJ-NSHDSACASA-N 0 3 321.381 1.383 20 5 DDBDHN CN(C)[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000109806994 194287801 /nfs/dbraw/zinc/28/78/01/194287801.db2.gz ZAQSMYHAMPIQPH-GFCCVEGCSA-N 0 3 306.366 1.559 20 5 DDBDHN CN(C)[C@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000109805717 194288473 /nfs/dbraw/zinc/28/84/73/194288473.db2.gz HTASMSKCIBNRHM-HNNXBMFYSA-N 0 3 320.393 1.584 20 5 DDBDHN C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)N(C)C1CC1 ZINC000057706794 184048351 /nfs/dbraw/zinc/04/83/51/184048351.db2.gz AECBYLULQWFWTM-MRVPVSSYSA-N 0 3 310.329 1.529 20 5 DDBDHN COC1CCN(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000341253738 251466131 /nfs/dbraw/zinc/46/61/31/251466131.db2.gz ASAITNVWHGRILO-UHFFFAOYSA-N 0 3 324.381 1.542 20 5 DDBDHN Cc1[nH]nc(C(=O)Nc2ccc3c(c2)CNCC3)c1[N+](=O)[O-] ZINC000269210654 207330239 /nfs/dbraw/zinc/33/02/39/207330239.db2.gz NRQPZGHCPQBUBH-UHFFFAOYSA-N 0 3 301.306 1.524 20 5 DDBDHN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000273000412 210379263 /nfs/dbraw/zinc/37/92/63/210379263.db2.gz REUVRNAYUIJANC-GFCCVEGCSA-N 0 3 303.362 1.904 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000352590970 285161685 /nfs/dbraw/zinc/16/16/85/285161685.db2.gz PPLSADPEGVGDJS-HZMBPMFUSA-N 0 3 307.325 1.900 20 5 DDBDHN C[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000494691740 533373014 /nfs/dbraw/zinc/37/30/14/533373014.db2.gz VLMHXMUQANOWOK-SNVBAGLBSA-N 0 3 303.322 1.997 20 5 DDBDHN CCO[C@H]1COCC[C@@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353128942 285541798 /nfs/dbraw/zinc/54/17/98/285541798.db2.gz LZJUUXQXAOOKLS-WFASDCNBSA-N 0 3 310.350 1.887 20 5 DDBDHN Cc1nn(C)c(C(=O)NC[C@@H](CC(C)C)N(C)C)c1[N+](=O)[O-] ZINC000114376821 407566858 /nfs/dbraw/zinc/56/68/58/407566858.db2.gz YUGJXMBYWSYCDC-LLVKDONJSA-N 0 3 311.386 1.343 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2COCc3ccccc32)c1 ZINC000570626299 304417436 /nfs/dbraw/zinc/41/74/36/304417436.db2.gz FYDMNQLWBOJDDE-ZFWWWQNUSA-N 0 3 318.333 1.013 20 5 DDBDHN COCCN(C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054776291 407188527 /nfs/dbraw/zinc/18/85/27/407188527.db2.gz ADDNRASNAMJVOX-UHFFFAOYSA-N 0 3 313.329 1.432 20 5 DDBDHN C[C@H](O)[C@@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000106865786 407363754 /nfs/dbraw/zinc/36/37/54/407363754.db2.gz GPYKWJJWLXWZFD-NOLJZWGESA-N 0 3 324.377 1.570 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000112924241 407447020 /nfs/dbraw/zinc/44/70/20/407447020.db2.gz SJUBYGVDMPESJT-HNNXBMFYSA-N 0 3 320.393 1.997 20 5 DDBDHN O=C(CCN1CCC[C@@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000128372649 407529231 /nfs/dbraw/zinc/52/92/31/407529231.db2.gz FPJCAMSMRUYDNP-LLVKDONJSA-N 0 3 311.313 1.519 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCC2(O)CCN(C)CC2)c1 ZINC000267213121 407793708 /nfs/dbraw/zinc/79/37/08/407793708.db2.gz ZHCISMNAUIYOOI-UHFFFAOYSA-N 0 3 307.350 1.090 20 5 DDBDHN O=C(NC[C@@H]1NCCc2ccccc21)c1ccc([N+](=O)[O-])o1 ZINC000262558842 407866194 /nfs/dbraw/zinc/86/61/94/407866194.db2.gz UTZSJVYOQSDQSR-LBPRGKRZSA-N 0 3 301.302 1.805 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000268213360 407952339 /nfs/dbraw/zinc/95/23/39/407952339.db2.gz AZOSRUCRJISFRS-TZMCWYRMSA-N 0 3 320.349 1.972 20 5 DDBDHN C[C@H](O)CN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000189843945 408118991 /nfs/dbraw/zinc/11/89/91/408118991.db2.gz DOBMADSFWGIUEH-YVZNUBBCSA-N 0 3 305.378 1.606 20 5 DDBDHN CN(C)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000158946487 408371429 /nfs/dbraw/zinc/37/14/29/408371429.db2.gz VFXVVWUATPWWTL-LBPRGKRZSA-N 0 3 317.349 1.221 20 5 DDBDHN CN(CC(=O)NCCN1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000172824473 162305861 /nfs/dbraw/zinc/30/58/61/162305861.db2.gz RZGZAKHWNNMJTJ-UHFFFAOYSA-N 0 3 306.366 1.243 20 5 DDBDHN CC(C)[C@H](CCO)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000161832818 408644071 /nfs/dbraw/zinc/64/40/71/408644071.db2.gz DOYJAHSYLZIEKO-AWEZNQCLSA-N 0 3 321.377 1.481 20 5 DDBDHN CN(C)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000183455684 306711132 /nfs/dbraw/zinc/71/11/32/306711132.db2.gz GFXBWNWJTBCWRV-UHFFFAOYSA-N 0 3 315.333 1.886 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCC[C@@H]1CCO ZINC000194363763 408778952 /nfs/dbraw/zinc/77/89/52/408778952.db2.gz RRXQJFBHQZREMB-KGLIPLIRSA-N 0 3 324.377 1.571 20 5 DDBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)CN(C)C ZINC000291891221 408940120 /nfs/dbraw/zinc/94/01/20/408940120.db2.gz PDHOMLAXZHXUIV-JTQLQIEISA-N 0 3 315.395 1.608 20 5 DDBDHN Cn1cc([C@@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000277860936 409025469 /nfs/dbraw/zinc/02/54/69/409025469.db2.gz UEIBAXCCOCEKLX-GJZGRUSLSA-N 0 3 316.361 1.536 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@]3(CCN(C)C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000293592312 409144105 /nfs/dbraw/zinc/14/41/05/409144105.db2.gz BETPJGDQDAICFN-INIZCTEOSA-N 0 3 318.377 1.653 20 5 DDBDHN CN1CC[C@@]2(CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)C1 ZINC000293658820 409156226 /nfs/dbraw/zinc/15/62/26/409156226.db2.gz HQKKBJHMAXEYDE-OAHLLOKOSA-N 0 3 304.350 1.345 20 5 DDBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283472024 409163491 /nfs/dbraw/zinc/16/34/91/409163491.db2.gz MKNCXEAKVAZJPI-JTQLQIEISA-N 0 3 324.356 1.920 20 5 DDBDHN CNC(=O)[C@@]1(C)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000280497851 409328951 /nfs/dbraw/zinc/32/89/51/409328951.db2.gz BAQXHSBFIMSXJI-HNNXBMFYSA-N 0 3 307.350 1.432 20 5 DDBDHN Cn1cc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000331550699 409626556 /nfs/dbraw/zinc/62/65/56/409626556.db2.gz GWTFUSHYSFRFNC-STQMWFEESA-N 0 3 304.354 1.798 20 5 DDBDHN CN(C)C1(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCC1 ZINC000331505400 409580076 /nfs/dbraw/zinc/58/00/76/409580076.db2.gz OXRIFDRYIRWQQB-UHFFFAOYSA-N 0 3 309.370 1.127 20 5 DDBDHN C[C@H](N[C@@H]1CCCN(C)[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000342709356 409834037 /nfs/dbraw/zinc/83/40/37/409834037.db2.gz JUMUHURTZHADPT-SLEUVZQESA-N 0 3 320.393 1.994 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2CN(C)C)n1 ZINC000191802091 306724436 /nfs/dbraw/zinc/72/44/36/306724436.db2.gz IKYCWYJQFIJFTM-NSHDSACASA-N 0 3 309.370 1.368 20 5 DDBDHN C[C@H]1C[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CN1C1CC1 ZINC000357534209 410088473 /nfs/dbraw/zinc/08/84/73/410088473.db2.gz QSAFVXGTPYHUAP-VHSXEESVSA-N 0 3 304.350 1.731 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](O)[C@@H](C)C1 ZINC000351776426 410224245 /nfs/dbraw/zinc/22/42/45/410224245.db2.gz BAXXJDIMACJHPG-GWCFXTLKSA-N 0 3 323.349 1.245 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCN(C)CC1 ZINC000298654287 410330489 /nfs/dbraw/zinc/33/04/89/410330489.db2.gz FRFWSRYFYGJODF-UHFFFAOYSA-N 0 3 322.365 1.179 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343464887 410474810 /nfs/dbraw/zinc/47/48/10/410474810.db2.gz YVUPJVFNUCZCRI-NEPJUHHUSA-N 0 3 307.350 1.573 20 5 DDBDHN C[C@H]1[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343612232 410570356 /nfs/dbraw/zinc/57/03/56/410570356.db2.gz VNXXGSLPKKRKBI-SMDDNHRTSA-N 0 3 306.366 1.877 20 5 DDBDHN CN1CCC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301075482 410649726 /nfs/dbraw/zinc/64/97/26/410649726.db2.gz BLLYGSMMXQVQSX-JTQLQIEISA-N 0 3 320.349 1.679 20 5 DDBDHN CCN1CCC(N(C)c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000301291115 410691883 /nfs/dbraw/zinc/69/18/83/410691883.db2.gz UAMJGBKWGNAXOB-UHFFFAOYSA-N 0 3 320.393 1.875 20 5 DDBDHN Cc1n[nH]c(C(=O)NCC(C)(C)N2CCCCC2)c1[N+](=O)[O-] ZINC000337405735 410763120 /nfs/dbraw/zinc/76/31/20/410763120.db2.gz MSFAUTBSJOQCKP-UHFFFAOYSA-N 0 3 309.370 1.621 20 5 DDBDHN Cc1cc(NC2CCN([C@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC000301733468 410784051 /nfs/dbraw/zinc/78/40/51/410784051.db2.gz UEJLEGJFQXCWCV-ZDUSSCGKSA-N 0 3 306.366 1.963 20 5 DDBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000348180923 410839458 /nfs/dbraw/zinc/83/94/58/410839458.db2.gz IZPXADJUXWCLMG-NEPJUHHUSA-N 0 3 307.350 1.608 20 5 DDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](CO)C1 ZINC000348568599 411021151 /nfs/dbraw/zinc/02/11/51/411021151.db2.gz CDHHQECVRZDVKG-NSHDSACASA-N 0 3 321.333 1.207 20 5 DDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366332972 418458717 /nfs/dbraw/zinc/45/87/17/418458717.db2.gz PNBADEOIFUWTCF-JLLWLGSASA-N 0 3 303.318 1.250 20 5 DDBDHN C[C@@H](CO)N1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000366907716 418534702 /nfs/dbraw/zinc/53/47/02/418534702.db2.gz BEPIGPRCFAWMFM-LBPRGKRZSA-N 0 3 311.357 1.622 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCCN1CCN(C)CC1 ZINC000360892227 418541922 /nfs/dbraw/zinc/54/19/22/418541922.db2.gz BOSQOBWGXSKDNR-UHFFFAOYSA-N 0 3 310.402 1.169 20 5 DDBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000367839362 418643905 /nfs/dbraw/zinc/64/39/05/418643905.db2.gz AMSJYLOTNJUMMD-JQWIXIFHSA-N 0 3 319.365 1.271 20 5 DDBDHN C[C@@H]1C[C@H](CO)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000420929416 419362300 /nfs/dbraw/zinc/36/23/00/419362300.db2.gz BJNRJJAFFNBGPT-HZSPNIEDSA-N 0 3 324.377 1.285 20 5 DDBDHN C[C@@H]1CC[C@@H](O)CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000421002937 419442689 /nfs/dbraw/zinc/44/26/89/419442689.db2.gz BYHULHAPJANSOQ-MRVWCRGKSA-N 0 3 310.350 1.180 20 5 DDBDHN COC(=O)[C@@H]1CN(C)CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000411910613 419469138 /nfs/dbraw/zinc/46/91/38/419469138.db2.gz SLBXIWUVPZYWHL-GXTWGEPZSA-N 0 3 321.377 1.692 20 5 DDBDHN Cc1n[nH]c(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000299529278 229184576 /nfs/dbraw/zinc/18/45/76/229184576.db2.gz LJMHPMTVSDYRGR-VHSXEESVSA-N 0 3 309.370 1.477 20 5 DDBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2CNCCO2)o1 ZINC000415095186 419939048 /nfs/dbraw/zinc/93/90/48/419939048.db2.gz LRVNQKZYXDLGFH-ZDUSSCGKSA-N 0 3 317.345 1.933 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CNCCO1 ZINC000415576422 420115640 /nfs/dbraw/zinc/11/56/40/420115640.db2.gz GEBBFLJPBLXECG-NSHDSACASA-N 0 3 308.338 1.322 20 5 DDBDHN CC[C@@H](NCCC(=O)N1CCNCC1)c1cccc([N+](=O)[O-])c1 ZINC000420393954 420258551 /nfs/dbraw/zinc/25/85/51/420258551.db2.gz CFCOYKMFYXEVST-OAHLLOKOSA-N 0 3 320.393 1.457 20 5 DDBDHN CN(C[C@@H]1CCCN1C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000420804828 420398137 /nfs/dbraw/zinc/39/81/37/420398137.db2.gz ACLCDAYYTZZNJT-HNNXBMFYSA-N 0 3 320.393 1.873 20 5 DDBDHN Cc1ccc(S(=O)(=O)NC(C)(C)CN(C)C)c([N+](=O)[O-])c1 ZINC000416507045 420400936 /nfs/dbraw/zinc/40/09/36/420400936.db2.gz IQPZKLFYSLKRQT-UHFFFAOYSA-N 0 3 315.395 1.522 20 5 DDBDHN CN(C)CCOCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492370144 420537616 /nfs/dbraw/zinc/53/76/16/420537616.db2.gz QQGDJNALSCHOAR-YVMONPNESA-N 0 3 307.350 1.302 20 5 DDBDHN CN1CC=C(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000492384912 420540812 /nfs/dbraw/zinc/54/08/12/420540812.db2.gz HBKMBITUWLKJSG-AATRIKPKSA-N 0 3 301.346 1.986 20 5 DDBDHN COc1c(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000452985396 420695260 /nfs/dbraw/zinc/69/52/60/420695260.db2.gz HUKKOUKKBIKCMM-GXFFZTMASA-N 0 3 305.334 1.380 20 5 DDBDHN CC[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000459765483 420868605 /nfs/dbraw/zinc/86/86/05/420868605.db2.gz CUPZOIQEMQIUNB-OCCSQVGLSA-N 0 3 323.349 1.699 20 5 DDBDHN CCOc1ccc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000456173580 421113499 /nfs/dbraw/zinc/11/34/99/421113499.db2.gz ULUQZDFVRBNBFH-GXTWGEPZSA-N 0 3 319.361 1.770 20 5 DDBDHN CO[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000488018707 421063355 /nfs/dbraw/zinc/06/33/55/421063355.db2.gz UHGOGQASTJXRFN-OKILXGFUSA-N 0 3 323.349 1.269 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1NC[C@H]1CCCN1CCCO)CCN2 ZINC000450591776 421214400 /nfs/dbraw/zinc/21/44/00/421214400.db2.gz GKZLZZNYXYFARS-GFCCVEGCSA-N 0 3 320.393 1.822 20 5 DDBDHN COCCN(C)CCCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000562393869 421361775 /nfs/dbraw/zinc/36/17/75/421361775.db2.gz ZOGVRMRSAAEJKA-ZDUSSCGKSA-N 0 3 323.393 1.783 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccncc1 ZINC000551816630 421544689 /nfs/dbraw/zinc/54/46/89/421544689.db2.gz BZJLNEYATIDXDW-ZDUSSCGKSA-N 0 3 303.318 1.519 20 5 DDBDHN C[C@@H]1CCN(CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000553556998 421620100 /nfs/dbraw/zinc/62/01/00/421620100.db2.gz QQTHRDVLZRLAFE-GFCCVEGCSA-N 0 3 319.361 1.526 20 5 DDBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H](C)C1 ZINC000554128842 421633264 /nfs/dbraw/zinc/63/32/64/421633264.db2.gz SWZXXCGQGZBWGH-SGMGOOAPSA-N 0 3 320.393 1.736 20 5 DDBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000539792262 421753627 /nfs/dbraw/zinc/75/36/27/421753627.db2.gz CXGLFJCTHOCHLH-NSHDSACASA-N 0 3 306.366 1.792 20 5 DDBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CCN(C2CCC2)C1 ZINC000344779120 272116156 /nfs/dbraw/zinc/11/61/56/272116156.db2.gz UBHLKWZQEUIXSO-LBPRGKRZSA-N 0 3 320.393 1.880 20 5 DDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420635552 297263703 /nfs/dbraw/zinc/26/37/03/297263703.db2.gz ZLDIJIYXCHTNNG-VXGBXAGGSA-N 0 3 318.377 1.757 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362762442 300133873 /nfs/dbraw/zinc/13/38/73/300133873.db2.gz JARWMHHVLVEUCH-VIFPVBQESA-N 0 3 313.304 1.626 20 5 DDBDHN Cc1c(NC(=O)CCN2CCCOCC2)cccc1[N+](=O)[O-] ZINC000363379601 300259747 /nfs/dbraw/zinc/25/97/47/300259747.db2.gz SWXVLXMPISWTMG-UHFFFAOYSA-N 0 3 307.350 1.954 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](N)c2ccccc2)n1 ZINC000574517053 304659302 /nfs/dbraw/zinc/65/93/02/304659302.db2.gz OIIGSNRXYZGXMV-LLVKDONJSA-N 0 3 303.322 1.241 20 5 DDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CC12CC[NH2+]CC2 ZINC000367820514 300890849 /nfs/dbraw/zinc/89/08/49/300890849.db2.gz CKRIYKCFJHLFTN-GFCCVEGCSA-N 0 3 311.363 1.015 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C[NH3+])CC(C)C ZINC000111829848 302049809 /nfs/dbraw/zinc/04/98/09/302049809.db2.gz GVSYEYUQHNOSFL-NSHDSACASA-N 0 3 315.395 1.555 20 5 DDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000377510189 302187912 /nfs/dbraw/zinc/18/79/12/302187912.db2.gz FKHBQBSVJBESCW-NEPJUHHUSA-N 0 3 323.324 1.327 20 5 DDBDHN O=C1NC[C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]12 ZINC000377673048 302209057 /nfs/dbraw/zinc/20/90/57/302209057.db2.gz RLMNOGOHGSYJAW-SMDDNHRTSA-N 0 3 305.334 1.042 20 5 DDBDHN N[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCC1 ZINC000399238246 302365560 /nfs/dbraw/zinc/36/55/60/302365560.db2.gz SLMXPWZEIUPWRZ-OAHLLOKOSA-N 0 3 318.377 1.371 20 5 DDBDHN Cc1nn(CCC(=O)N(CCN(C)C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000356867617 306865869 /nfs/dbraw/zinc/86/58/69/306865869.db2.gz BDCLTRSBSBBTFS-UHFFFAOYSA-N 0 3 323.397 1.351 20 5 DDBDHN COC(=O)COc1ccc(CNCCCF)cc1[N+](=O)[O-] ZINC000530494163 303199152 /nfs/dbraw/zinc/19/91/52/303199152.db2.gz PVHJOHOVPCYAQD-UHFFFAOYSA-N 0 3 300.286 1.596 20 5 DDBDHN CN(C)CCn1nccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000561607425 303845583 /nfs/dbraw/zinc/84/55/83/303845583.db2.gz LRVDMOWUSQVLBC-UHFFFAOYSA-N 0 3 304.310 1.000 20 5 DDBDHN CC(=O)N1CCC[C@H]1[C@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000363593316 307032371 /nfs/dbraw/zinc/03/23/71/307032371.db2.gz XYTZNWXWUQWIMD-KGLIPLIRSA-N 0 3 321.381 1.267 20 5 DDBDHN Cc1c(CN2CCN([C@H]3CCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000363738553 307034857 /nfs/dbraw/zinc/03/48/57/307034857.db2.gz ZCGYVODJTJMQTE-IRXDYDNUSA-N 0 3 319.405 1.934 20 5 DDBDHN COc1cc(F)cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000519825234 307455021 /nfs/dbraw/zinc/45/50/21/307455021.db2.gz UNCGKHNQGRVHFC-CYBMUJFWSA-N 0 3 324.312 1.090 20 5 DDBDHN CN(C)CCn1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])n1 ZINC000565178349 308023889 /nfs/dbraw/zinc/02/38/89/308023889.db2.gz BABHHDDPYIIYQE-UHFFFAOYSA-N 0 3 317.349 1.283 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](c3ccncc3)C2)c1 ZINC000570118839 308159578 /nfs/dbraw/zinc/15/95/78/308159578.db2.gz YWHNPMKLKOUCEF-DZGCQCFKSA-N 0 3 317.349 1.037 20 5 DDBDHN C[C@H](O)C[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576992239 308354722 /nfs/dbraw/zinc/35/47/22/308354722.db2.gz HNBQUBUWMUBQSS-QWRGUYRKSA-N 0 3 316.379 1.118 20 5 DDBDHN O=[N+]([O-])c1cc2c(ncnc2N2C[C@H]3CCC[C@@H](C2)N3)s1 ZINC000577357668 308381415 /nfs/dbraw/zinc/38/14/15/308381415.db2.gz XKVAFBGHNUNOAO-DTORHVGOSA-N 0 3 305.363 1.930 20 5 DDBDHN CN1CCC[C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000580709583 308624723 /nfs/dbraw/zinc/62/47/23/308624723.db2.gz GUASUWHLZAMMPV-GFCCVEGCSA-N 0 3 320.349 1.134 20 5 DDBDHN Cc1c(NC(=O)CCN(C)C(C)(C)C(N)=O)cccc1[N+](=O)[O-] ZINC000295598073 533900578 /nfs/dbraw/zinc/90/05/78/533900578.db2.gz BYOZUFAGIZIWCP-UHFFFAOYSA-N 0 3 322.365 1.428 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCN1C ZINC000319016651 533938765 /nfs/dbraw/zinc/93/87/65/533938765.db2.gz CPKLVXMJPCGWLS-PSASIEDQSA-N 0 3 310.329 1.529 20 5 DDBDHN C[C@@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N(C)C ZINC000294552061 534031871 /nfs/dbraw/zinc/03/18/71/534031871.db2.gz YMCXLWWXOOHVJV-JTQLQIEISA-N 0 3 317.349 1.665 20 5 DDBDHN CCN1CC[C@@H](NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493700487 527758110 /nfs/dbraw/zinc/75/81/10/527758110.db2.gz XREIQTVPRSKORQ-RYWCDNDXSA-N 0 3 307.325 1.958 20 5 DDBDHN CCNC(=O)C(C)(C)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411813592 528035131 /nfs/dbraw/zinc/03/51/31/528035131.db2.gz FHWDBVDDVXEPEI-UHFFFAOYSA-N 0 3 322.365 1.428 20 5 DDBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000452343154 528315225 /nfs/dbraw/zinc/31/52/25/528315225.db2.gz KCZWGSWBESFTDU-LBPRGKRZSA-N 0 3 323.397 1.569 20 5 DDBDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@H+](C)C1CC1 ZINC000736027084 598500363 /nfs/dbraw/zinc/50/03/63/598500363.db2.gz XABOFAGOOXGYJF-MRVPVSSYSA-N 0 3 318.341 1.065 20 5 DDBDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@@H+](C)C1CC1 ZINC000736027084 598500366 /nfs/dbraw/zinc/50/03/66/598500366.db2.gz XABOFAGOOXGYJF-MRVPVSSYSA-N 0 3 318.341 1.065 20 5 DDBDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@H+](C)C1CC1 ZINC000736027084 598500367 /nfs/dbraw/zinc/50/03/67/598500367.db2.gz XABOFAGOOXGYJF-MRVPVSSYSA-N 0 3 318.341 1.065 20 5 DDBDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@@H+](C)C1CC1 ZINC000736027084 598500369 /nfs/dbraw/zinc/50/03/69/598500369.db2.gz XABOFAGOOXGYJF-MRVPVSSYSA-N 0 3 318.341 1.065 20 5 DDBDHN C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000820668797 599589694 /nfs/dbraw/zinc/58/96/94/599589694.db2.gz WOKYVNOMPPLBJS-MWLCHTKSSA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000820668797 599589695 /nfs/dbraw/zinc/58/96/95/599589695.db2.gz WOKYVNOMPPLBJS-MWLCHTKSSA-N 0 3 317.353 1.670 20 5 DDBDHN C[NH+](C)C[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821583192 606858923 /nfs/dbraw/zinc/85/89/23/606858923.db2.gz LWJSXEUYCZALCD-LLVKDONJSA-N 0 3 317.353 1.305 20 5 DDBDHN C[NH+](C)C[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821583192 606858924 /nfs/dbraw/zinc/85/89/24/606858924.db2.gz LWJSXEUYCZALCD-LLVKDONJSA-N 0 3 317.353 1.305 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(c3nnc[nH]3)CC2)cc1 ZINC000776593627 698124240 /nfs/dbraw/zinc/12/42/40/698124240.db2.gz YSHJJKCVRPFIAH-CQSZACIVSA-N 0 3 317.349 1.626 20 5 DDBDHN CN(C)C1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCC1 ZINC000787593038 699221529 /nfs/dbraw/zinc/22/15/29/699221529.db2.gz LDLYPEXQSYSIBR-UHFFFAOYSA-N 0 3 321.381 1.439 20 5 DDBDHN C[C@@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CN(C)CCO1 ZINC000788670289 699332913 /nfs/dbraw/zinc/33/29/13/699332913.db2.gz IPOLCOBCHILGPV-FIXISWKDSA-N 0 3 308.382 1.547 20 5 DDBDHN CC(C)OCC(=N)NOCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789587725 699397601 /nfs/dbraw/zinc/39/76/01/699397601.db2.gz JMIBADMGMOFPIG-UHFFFAOYSA-N 0 3 312.282 1.926 20 5 DDBDHN CN1CC[C@@](O)(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000762719245 700904322 /nfs/dbraw/zinc/90/43/22/700904322.db2.gz RCJQGNXUCGHGLD-CYBMUJFWSA-N 0 3 313.741 1.045 20 5 DDBDHN CN(C)C1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCC1 ZINC000762964540 700917879 /nfs/dbraw/zinc/91/78/79/700917879.db2.gz NTKJNLSZSGPFTQ-UHFFFAOYSA-N 0 3 306.366 1.607 20 5 DDBDHN CCN(CCO)CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000768787352 701202609 /nfs/dbraw/zinc/20/26/09/701202609.db2.gz ZJPOSWABLKOZBD-UHFFFAOYSA-N 0 3 312.395 1.195 20 5 DDBDHN Cc1cc(F)cc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000816953613 702237739 /nfs/dbraw/zinc/23/77/39/702237739.db2.gz KJWUOKUPMYUVMQ-ZWNOBZJWSA-N 0 3 307.325 1.818 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000816954723 702238691 /nfs/dbraw/zinc/23/86/91/702238691.db2.gz JJNZEHZHEDHZFL-ZANVPECISA-N 0 3 320.305 1.279 20 5 DDBDHN CCc1ccccc1N1C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813105520 702292890 /nfs/dbraw/zinc/29/28/90/702292890.db2.gz NWBASFDADONMAQ-DGCLKSJQSA-N 0 3 320.345 1.810 20 5 DDBDHN CN(CCN1CC2(C1)CCOCC2)c1ccc(N)c([N+](=O)[O-])n1 ZINC000866258332 706659818 /nfs/dbraw/zinc/65/98/18/706659818.db2.gz RPNRHWCEXKUUSO-UHFFFAOYSA-N 0 3 321.381 1.121 20 5 DDBDHN CCN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000869240244 702527859 /nfs/dbraw/zinc/52/78/59/702527859.db2.gz YKTQGIPMKXJAJE-LBPRGKRZSA-N 0 3 309.341 1.829 20 5 DDBDHN Cc1ccc([C@H](O)CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000843089840 702816841 /nfs/dbraw/zinc/81/68/41/702816841.db2.gz TVHYKYVSQFWDMM-ZIAGYGMSSA-N 0 3 306.318 1.853 20 5 DDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000848351486 703542138 /nfs/dbraw/zinc/54/21/38/703542138.db2.gz DMEYMQSLYYIMTC-HUUCEWRRSA-N 0 3 318.377 1.924 20 5 DDBDHN C[NH+](C)CC[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848580111 703565185 /nfs/dbraw/zinc/56/51/85/703565185.db2.gz VUJVJXOULIGXIY-UHFFFAOYSA-N 0 3 303.265 1.244 20 5 DDBDHN Cc1nn(C2CCOCC2)c(C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000851036341 703774984 /nfs/dbraw/zinc/77/49/84/703774984.db2.gz HMJGZOGRAFKIAX-SECBINFHSA-N 0 3 311.338 1.673 20 5 DDBDHN CN(CC1CN(C)C1)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000853825990 704322167 /nfs/dbraw/zinc/32/21/67/704322167.db2.gz ZNNRNUALOGBMOA-UHFFFAOYSA-N 0 3 318.377 1.485 20 5 DDBDHN C[C@@H]([NH3+])[C@@H](C)[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766935 704622434 /nfs/dbraw/zinc/62/24/34/704622434.db2.gz YVEZGABAVZQPTF-HTQZYQBOSA-N 0 3 303.265 1.418 20 5 DDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cccc([N+](=O)[O-])c1N ZINC000874836917 705194216 /nfs/dbraw/zinc/19/42/16/705194216.db2.gz IDKKXSPBGAGTDT-VXGBXAGGSA-N 0 3 304.350 1.486 20 5 DDBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H](N2CCC2)C1 ZINC000826949582 705897519 /nfs/dbraw/zinc/89/75/19/705897519.db2.gz JODFKRNILPMATJ-CQSZACIVSA-N 0 3 321.352 1.973 20 5 DDBDHN O=[N+]([O-])c1cc(CO)c(N2CC[C@H](N3CC=CC3)C2)cc1F ZINC000865561581 706464134 /nfs/dbraw/zinc/46/41/34/706464134.db2.gz NRMFZUFMGNGRRU-LBPRGKRZSA-N 0 3 307.325 1.677 20 5 DDBDHN COc1ccc(CN[C@H](CO)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000886226914 708719469 /nfs/dbraw/zinc/71/94/69/708719469.db2.gz TWOYEDMONJSYHR-STQMWFEESA-N 0 3 310.350 1.623 20 5 DDBDHN NC(=O)c1ccc(CN2CC[C@H]([C@H]3CCCO3)C2)c([N+](=O)[O-])c1 ZINC000886827922 708855524 /nfs/dbraw/zinc/85/55/24/708855524.db2.gz UFWDTHKRSMIRMS-DZGCQCFKSA-N 0 3 319.361 1.695 20 5 DDBDHN CCN1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910296679 709874389 /nfs/dbraw/zinc/87/43/89/709874389.db2.gz ODCXGZFXUTUIRD-ZDUSSCGKSA-N 0 3 321.377 1.916 20 5 DDBDHN COc1cc([C@@H](C)NCCCS(C)(=O)=O)cc([N+](=O)[O-])c1 ZINC000903091596 711029687 /nfs/dbraw/zinc/02/96/87/711029687.db2.gz XFUKHPHNCBDUPD-SNVBAGLBSA-N 0 3 316.379 1.689 20 5 DDBDHN O=[N+]([O-])c1c(F)nccc1NC[C@@H]1CCN1C1CCOCC1 ZINC000896526574 711738927 /nfs/dbraw/zinc/73/89/27/711738927.db2.gz YXEGEJLLAPNSRL-NSHDSACASA-N 0 3 310.329 1.794 20 5 DDBDHN COc1cc(CN[C@@H]2COC[C@H]2C2CC2)c([N+](=O)[O-])cc1O ZINC000914432765 713394900 /nfs/dbraw/zinc/39/49/00/713394900.db2.gz DMKXZBDEWKXPKC-NWDGAFQWSA-N 0 3 308.334 1.824 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000925309437 714803174 /nfs/dbraw/zinc/80/31/74/714803174.db2.gz ZYLBKTMLDMCLLC-MWLCHTKSSA-N 0 3 308.338 1.818 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1CC(F)(F)C1 ZINC001125489279 733595613 /nfs/dbraw/zinc/59/56/13/733595613.db2.gz MJRKRMZJVSYKTN-UHFFFAOYSA-N 0 3 313.304 1.846 20 5 DDBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CCn3ccnc3C2)c1[N+](=O)[O-] ZINC001181054034 743037518 /nfs/dbraw/zinc/03/75/18/743037518.db2.gz DWXVUIWBILJFLV-LLVKDONJSA-N 0 3 318.333 1.610 20 5 DDBDHN C[C@@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@@H]1CNCCO1 ZINC001170565673 768165126 /nfs/dbraw/zinc/16/51/26/768165126.db2.gz WBEBBEDUXKQDTG-YGRLFVJLSA-N 0 3 302.334 1.932 20 5 DDBDHN Cc1cc(N(C)CCNC(=O)CN(C)C(C)C)ccc1[N+](=O)[O-] ZINC001100149480 765466379 /nfs/dbraw/zinc/46/63/79/765466379.db2.gz JCSMJFQMYWCTNR-UHFFFAOYSA-N 0 3 322.409 1.796 20 5 DDBDHN COc1ccc(C[C@@H](C)NCC(=O)NC(C)C)c([N+](=O)[O-])c1 ZINC001170295163 766225742 /nfs/dbraw/zinc/22/57/42/766225742.db2.gz AACJLZKSWHMQTH-LLVKDONJSA-N 0 3 309.366 1.649 20 5 DDBDHN COc1cc(C[NH2+]CCC[C@@H]2CCOC2=O)c([N+](=O)[O-])cc1[O-] ZINC001179511860 779403262 /nfs/dbraw/zinc/40/32/62/779403262.db2.gz HUVYCJWAGZTGFC-SNVBAGLBSA-N 0 3 324.333 1.742 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC001116230209 780487257 /nfs/dbraw/zinc/48/72/57/780487257.db2.gz URPUVMHRCBKOMS-GHMZBOCLSA-N 0 3 318.377 1.992 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001119305541 781399111 /nfs/dbraw/zinc/39/91/11/781399111.db2.gz CHTNRNDKEGTXGM-GFCCVEGCSA-N 0 3 321.381 1.090 20 5 DDBDHN O=C(NCC1(NCc2cscn2)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001270743544 842863230 /nfs/dbraw/zinc/86/32/30/842863230.db2.gz SJRKJQFQFRWSIB-VXGBXAGGSA-N 0 3 324.406 1.327 20 5 DDBDHN CC(=O)CCCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001123479462 859253020 /nfs/dbraw/zinc/25/30/20/859253020.db2.gz BKTXMVUXJDUGRJ-UHFFFAOYSA-N 0 3 307.350 1.560 20 5 DDBDHN Cc1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)nn1C ZINC001124277794 859662778 /nfs/dbraw/zinc/66/27/78/859662778.db2.gz MKPYJUXMCCGRJU-UHFFFAOYSA-N 0 3 317.349 1.156 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccnc(F)c1 ZINC001124519966 859729076 /nfs/dbraw/zinc/72/90/76/859729076.db2.gz FYPNHIGUXZFHKD-UHFFFAOYSA-N 0 3 318.308 1.649 20 5 DDBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1cccnc1 ZINC001154175830 860843913 /nfs/dbraw/zinc/84/39/13/860843913.db2.gz ZYPPUCBZVWRBIH-UHFFFAOYSA-N 0 3 320.374 1.961 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1cnccn1 ZINC001154264594 860930867 /nfs/dbraw/zinc/93/08/67/860930867.db2.gz IHZAOSBSXIGJNA-UHFFFAOYSA-N 0 3 315.333 1.295 20 5 DDBDHN O=[N+]([O-])c1cc(F)cnc1N1CCO[C@H](CN2CCCC2)C1 ZINC001158305879 864561123 /nfs/dbraw/zinc/56/11/23/864561123.db2.gz SXMDCWKSLZHYQG-GFCCVEGCSA-N 0 3 310.329 1.430 20 5 DDBDHN NCc1cnnn1-c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001158427900 864648574 /nfs/dbraw/zinc/64/85/74/864648574.db2.gz JYVCXXFZDCRILV-UHFFFAOYSA-N 0 3 304.697 1.836 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC001335986231 868661436 /nfs/dbraw/zinc/66/14/36/868661436.db2.gz LFOKAYKKLBILFL-YUSALJHKSA-N 0 3 320.267 1.875 20 5 DDBDHN C[C@@](O)(CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001336699023 869098098 /nfs/dbraw/zinc/09/80/98/869098098.db2.gz JATJWZZRZYIOIN-GHMZBOCLSA-N 0 3 308.256 1.531 20 5 DDBDHN C[C@H](CNC(=O)C[C@@H]1CNCCO1)c1ccccc1[N+](=O)[O-] ZINC001341429674 871656482 /nfs/dbraw/zinc/65/64/82/871656482.db2.gz VTKVVDGEOVRJBD-VXGBXAGGSA-N 0 3 307.350 1.193 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@H](C)CN[C@@H](C)[C@@H]1C ZINC001344845983 873142868 /nfs/dbraw/zinc/14/28/68/873142868.db2.gz HRYNSSNXOUBUDQ-VWYCJHECSA-N 0 3 309.370 1.087 20 5 DDBDHN O=[N+]([O-])c1ncccc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001213174551 875842598 /nfs/dbraw/zinc/84/25/98/875842598.db2.gz NHVZXASWSDLOIF-UHFFFAOYSA-N 0 3 324.300 1.748 20 5 DDBDHN COC(=O)c1cc(CO[C@H]2CCCN(C)C2)cc([N+](=O)[O-])c1 ZINC001223689054 881057712 /nfs/dbraw/zinc/05/77/12/881057712.db2.gz SYAGNIRAJSMFGO-AWEZNQCLSA-N 0 3 308.334 1.992 20 5 DDBDHN NC[C@H](N)c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247693092 893296524 /nfs/dbraw/zinc/29/65/24/893296524.db2.gz WJLAGMXCCWSGCG-NSHDSACASA-N 0 3 306.329 1.792 20 5 DDBDHN CCN(CC)C(=O)[C@@H](C)N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581438 896512806 /nfs/dbraw/zinc/51/28/06/896512806.db2.gz KHDRLJQSWUALOZ-RISCZKNCSA-N 0 3 305.378 1.909 20 5 DDBDHN CCn1cc(Br)c(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC001263501870 900623549 /nfs/dbraw/zinc/62/35/49/900623549.db2.gz DMLMSVVPRBQEFN-LURJTMIESA-N 0 3 306.116 1.488 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CC(N[C@@H]3CCOC3)C2)c2ncccc12 ZINC001307216886 916579902 /nfs/dbraw/zinc/57/99/02/916579902.db2.gz AXWGHMLFFGCBSE-LLVKDONJSA-N 0 3 314.345 1.710 20 5 DDBDHN Cc1cnc(N2CCN(C3CCOCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000278684253 214324503 /nfs/dbraw/zinc/32/45/03/214324503.db2.gz DONPPXDIJPIHRP-CYBMUJFWSA-N 0 3 320.393 1.988 20 5 DDBDHN C[C@H](N[C@@H]1COCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451815382 231202099 /nfs/dbraw/zinc/20/20/99/231202099.db2.gz ZMYBXVMIIKNOKV-GXFFZTMASA-N 0 3 307.350 1.936 20 5 DDBDHN COC[C@@]1(CO)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000451925623 231235312 /nfs/dbraw/zinc/23/53/12/231235312.db2.gz LDZHPZPYBIMJSJ-HNNXBMFYSA-N 0 3 310.350 1.304 20 5 DDBDHN O=[N+]([O-])c1cc(Br)ccc1OC[C@H]1CNCCO1 ZINC000088086559 185239407 /nfs/dbraw/zinc/23/94/07/185239407.db2.gz DZHBGXFCZDPQDB-SECBINFHSA-N 0 3 317.139 1.725 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(n2ccnc2)CC1 ZINC000090551934 185302892 /nfs/dbraw/zinc/30/28/92/185302892.db2.gz NNCKVEWYBWYETL-UHFFFAOYSA-N 0 3 317.349 1.290 20 5 DDBDHN CN(C)C[C@](C)(O)CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255513356 282261957 /nfs/dbraw/zinc/26/19/57/282261957.db2.gz KIZKSZLNXJEZMG-WHLNPGIBSA-N 0 3 307.350 1.037 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1CC[C@@H](O)C1)OCCO2 ZINC000616094553 362544715 /nfs/dbraw/zinc/54/47/15/362544715.db2.gz BWNUZOMQSAATPO-ZYHUDNBSSA-N 0 3 308.334 1.617 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000330909832 232156153 /nfs/dbraw/zinc/15/61/53/232156153.db2.gz PCAOEXHMXVKKFG-PWSUYJOCSA-N 0 3 309.370 1.089 20 5 DDBDHN CN(C)CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000080393476 192155299 /nfs/dbraw/zinc/15/52/99/192155299.db2.gz GZSXYXJSYJOZGZ-UHFFFAOYSA-N 0 3 320.393 1.829 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000069370708 353159044 /nfs/dbraw/zinc/15/90/44/353159044.db2.gz OVKGAJRFPXTFTJ-ZDUSSCGKSA-N 0 3 321.377 1.746 20 5 DDBDHN CN(C)CCN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000077455419 353470252 /nfs/dbraw/zinc/47/02/52/353470252.db2.gz DMSWBURDJFQUNC-UHFFFAOYSA-N 0 3 320.393 1.304 20 5 DDBDHN COCCN(C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358629446 299209475 /nfs/dbraw/zinc/20/94/75/299209475.db2.gz CJCHQXBOFPWJGY-UHFFFAOYSA-N 0 3 324.381 1.281 20 5 DDBDHN CCc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000231658190 354328195 /nfs/dbraw/zinc/32/81/95/354328195.db2.gz QGFWRZHNBIAUME-NSHDSACASA-N 0 3 310.379 1.566 20 5 DDBDHN CCc1ccccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000315559218 354494876 /nfs/dbraw/zinc/49/48/76/354494876.db2.gz COAULEMDSYUSGT-OAHLLOKOSA-N 0 3 304.350 1.504 20 5 DDBDHN CO[C@@H]1C[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000459741893 354682852 /nfs/dbraw/zinc/68/28/52/354682852.db2.gz CDIJCGSGZKNIGM-UONOGXRCSA-N 0 3 319.361 1.741 20 5 DDBDHN Cc1cc(NCCN2CCCC2=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000405436803 354679582 /nfs/dbraw/zinc/67/95/82/354679582.db2.gz FYTQMTBXIFPAFW-UHFFFAOYSA-N 0 3 314.345 1.908 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CC23CC3)cc1 ZINC000584775543 354764429 /nfs/dbraw/zinc/76/44/29/354764429.db2.gz NBZDMQLTIZXCHJ-NSHDSACASA-N 0 3 310.375 1.758 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(c2ccncc2)CC1 ZINC000588806900 354938088 /nfs/dbraw/zinc/93/80/88/354938088.db2.gz KLBPKUVWRJAYPX-UHFFFAOYSA-N 0 3 316.365 1.841 20 5 DDBDHN Cc1cc(C(=O)N[C@H](CO)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000588867230 354944042 /nfs/dbraw/zinc/94/40/42/354944042.db2.gz MMEZFVUCEXVHIM-ZDUSSCGKSA-N 0 3 307.350 1.090 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN1CCCC1 ZINC000588867066 354944208 /nfs/dbraw/zinc/94/42/08/354944208.db2.gz IFPMTKKDUBVSPO-LBPRGKRZSA-N 0 3 307.350 1.090 20 5 DDBDHN Cc1cc(C(=O)N[C@H](CO)CN2CCCC2)cc([N+](=O)[O-])c1 ZINC000588870157 354945290 /nfs/dbraw/zinc/94/52/90/354945290.db2.gz VEALBGQLXKBQMC-ZDUSSCGKSA-N 0 3 307.350 1.090 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CO)CN1CCCC1 ZINC000588868906 354945414 /nfs/dbraw/zinc/94/54/14/354945414.db2.gz IDFQQFKRXPDUNM-LBPRGKRZSA-N 0 3 307.350 1.090 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@]1(C)CCO[C@H]1C ZINC000494252581 235012152 /nfs/dbraw/zinc/01/21/52/235012152.db2.gz ZBGIULMSGHNTNZ-XHDPSFHLSA-N 0 3 307.350 1.999 20 5 DDBDHN CN(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000589101999 354959233 /nfs/dbraw/zinc/95/92/33/354959233.db2.gz SFZPHJJBSLWJPN-SECBINFHSA-N 0 3 307.272 1.948 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCO[C@H]1C1CC1 ZINC000494470543 235039807 /nfs/dbraw/zinc/03/98/07/235039807.db2.gz FWWWWMUBQGVYTM-LRDDRELGSA-N 0 3 319.361 1.999 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590010365 355039114 /nfs/dbraw/zinc/03/91/14/355039114.db2.gz CIDCVFWUCWCRRI-DOMZBBRYSA-N 0 3 318.377 1.478 20 5 DDBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000590590223 355122211 /nfs/dbraw/zinc/12/22/11/355122211.db2.gz WHCUEBOGGLBGOD-WDEREUQCSA-N 0 3 313.379 1.308 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000590443488 355097208 /nfs/dbraw/zinc/09/72/08/355097208.db2.gz KMXMLCYFLYROCA-VHSXEESVSA-N 0 3 307.354 1.217 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000590443488 355097209 /nfs/dbraw/zinc/09/72/09/355097209.db2.gz KMXMLCYFLYROCA-VHSXEESVSA-N 0 3 307.354 1.217 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000590444455 355098865 /nfs/dbraw/zinc/09/88/65/355098865.db2.gz LZJTWHXXBUCMKJ-PRHODGIISA-N 0 3 308.313 1.092 20 5 DDBDHN CN1CCC[C@H](N2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)C1 ZINC000591147176 355254956 /nfs/dbraw/zinc/25/49/56/355254956.db2.gz BRTZVXQXCRBBSK-LBPRGKRZSA-N 0 3 323.372 1.345 20 5 DDBDHN O=[N+]([O-])c1cnc(NC2CCN([C@@H]3CCOC3)CC2)c(F)c1 ZINC000591150651 355255892 /nfs/dbraw/zinc/25/58/92/355255892.db2.gz APKWNOMVFCXPLH-LLVKDONJSA-N 0 3 310.329 1.794 20 5 DDBDHN COC(=O)c1cc(NC(=O)[C@@H]2NCC2(C)C)cc([N+](=O)[O-])c1 ZINC000591671865 355358610 /nfs/dbraw/zinc/35/86/10/355358610.db2.gz MUEKLOBMBDLRQS-NSHDSACASA-N 0 3 307.306 1.318 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCN[C@@H](C(C)C)C2)c1 ZINC000592241827 355546352 /nfs/dbraw/zinc/54/63/52/355546352.db2.gz JXXCZOKYCOZHSI-CYBMUJFWSA-N 0 3 307.350 1.673 20 5 DDBDHN CC(C)(C(=O)N[C@@H](CN)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000594450576 356220484 /nfs/dbraw/zinc/22/04/84/356220484.db2.gz FWAOYRQFHYNDGD-JTQLQIEISA-N 0 3 319.283 1.878 20 5 DDBDHN C[C@@H]1CCN(CC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000594357516 356182019 /nfs/dbraw/zinc/18/20/19/356182019.db2.gz OSMOWHWMNQZRJQ-CYBMUJFWSA-N 0 3 305.378 1.938 20 5 DDBDHN CC(C)Oc1nc(N2CCN3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594604527 356262448 /nfs/dbraw/zinc/26/24/48/356262448.db2.gz XHYHPDJBCLKTQL-NWDGAFQWSA-N 0 3 322.365 1.032 20 5 DDBDHN O=[N+]([O-])c1cc(O)ccc1-n1cc(CNC2CCCC2)nn1 ZINC000594653643 356276232 /nfs/dbraw/zinc/27/62/32/356276232.db2.gz WWKFRHFKWSZHTE-UHFFFAOYSA-N 0 3 303.322 1.913 20 5 DDBDHN COC(=O)[C@@H]1C[C@H]1[C@@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000594919351 356354243 /nfs/dbraw/zinc/35/42/43/356354243.db2.gz YIAJGQDGBQSXRD-ADEWGFFLSA-N 0 3 308.334 1.891 20 5 DDBDHN O=[N+]([O-])c1cc(CN[C@H](CO)C2CCC2)c2c(c1)COCO2 ZINC000594957818 356364073 /nfs/dbraw/zinc/36/40/73/356364073.db2.gz VAWULAYWJQDLJY-CQSZACIVSA-N 0 3 308.334 1.712 20 5 DDBDHN COCCN1CC[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595019556 356372776 /nfs/dbraw/zinc/37/27/76/356372776.db2.gz QXZWBVXBCNAQGA-QWHCGFSZSA-N 0 3 323.393 1.975 20 5 DDBDHN C[C@H](NC[C@]1(OCCO)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000595077936 356378752 /nfs/dbraw/zinc/37/87/52/356378752.db2.gz LKENRRMDUNWJEV-SWLSCSKDSA-N 0 3 310.350 1.413 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CO)C1CCC1 ZINC000595613691 356578218 /nfs/dbraw/zinc/57/82/18/356578218.db2.gz AFGBORGCIVNHDH-CYBMUJFWSA-N 0 3 323.349 1.293 20 5 DDBDHN O=C1CC[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000595745623 356633484 /nfs/dbraw/zinc/63/34/84/356633484.db2.gz YSSWJUZDQKGQDK-IUODEOHRSA-N 0 3 319.361 1.574 20 5 DDBDHN CC(C)OCC[NH+]1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596148882 356791445 /nfs/dbraw/zinc/79/14/45/356791445.db2.gz NZNLFCOYRKFAJI-UHFFFAOYSA-N 0 3 324.381 1.997 20 5 DDBDHN CS[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@H]1N1CCCC1 ZINC000596194929 356809771 /nfs/dbraw/zinc/80/97/71/356809771.db2.gz IHJJXTPRKLLWGV-VXGBXAGGSA-N 0 3 323.422 1.588 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H](CO)CN(C)C ZINC000596245018 356830546 /nfs/dbraw/zinc/83/05/46/356830546.db2.gz VBGLBKYYIRHBTF-JTQLQIEISA-N 0 3 311.338 1.024 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@](O)(CN(C)C)C2)c1 ZINC000597575216 357234249 /nfs/dbraw/zinc/23/42/49/357234249.db2.gz VDTJCCWLTCJSAM-INIZCTEOSA-N 0 3 321.377 1.432 20 5 DDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000597856817 357360273 /nfs/dbraw/zinc/36/02/73/357360273.db2.gz AQPXHTWZPZPRBO-NSHDSACASA-N 0 3 309.370 1.170 20 5 DDBDHN CCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCN(C)C1 ZINC000597947572 357396322 /nfs/dbraw/zinc/39/63/22/357396322.db2.gz ZBUFXGKJFLTBDE-AWEZNQCLSA-N 0 3 305.378 1.998 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN2CCC(C)CC2)n1 ZINC000598262863 357513007 /nfs/dbraw/zinc/51/30/07/357513007.db2.gz MYEYCSWOBDYSEZ-LBPRGKRZSA-N 0 3 323.397 1.661 20 5 DDBDHN COC(=O)COc1ccc(CNC[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599006164 357791478 /nfs/dbraw/zinc/79/14/78/357791478.db2.gz FLOSXRVYHPVRRP-TXEJJXNPSA-N 0 3 324.333 1.007 20 5 DDBDHN CC[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000599100238 357816103 /nfs/dbraw/zinc/81/61/03/357816103.db2.gz HRENXHOQWYKWPK-WDEREUQCSA-N 0 3 313.379 1.322 20 5 DDBDHN Cc1cc(N2CC(CN3CCN(C)CC3)C2)c([N+](=O)[O-])s1 ZINC000599109915 357818396 /nfs/dbraw/zinc/81/83/96/357818396.db2.gz XMWFHKMZPXILGG-UHFFFAOYSA-N 0 3 310.423 1.648 20 5 DDBDHN COc1ccc([C@@H](NCCn2cc([N+](=O)[O-])cn2)C2CC2)cn1 ZINC000599699893 358031674 /nfs/dbraw/zinc/03/16/74/358031674.db2.gz NTJZSINXNHSSJH-HNNXBMFYSA-N 0 3 317.349 1.936 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000600470053 358233053 /nfs/dbraw/zinc/23/30/53/358233053.db2.gz DYRXFMAJAUKHBL-NSHDSACASA-N 0 3 307.354 1.075 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN2C2CCCC2)n1 ZINC000600474011 358234843 /nfs/dbraw/zinc/23/48/43/358234843.db2.gz WCKNKPKIEPYOEG-LLVKDONJSA-N 0 3 307.354 1.075 20 5 DDBDHN CN1CC[C@@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000180838256 199216625 /nfs/dbraw/zinc/21/66/25/199216625.db2.gz XRPMOQFJBMVXQJ-VIFPVBQESA-N 0 3 307.306 1.005 20 5 DDBDHN Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])s1 ZINC000601434229 358551682 /nfs/dbraw/zinc/55/16/82/358551682.db2.gz NOIKOOXFYAHVGA-VIFPVBQESA-N 0 3 319.408 1.195 20 5 DDBDHN Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])s1 ZINC000601434229 358551684 /nfs/dbraw/zinc/55/16/84/358551684.db2.gz NOIKOOXFYAHVGA-VIFPVBQESA-N 0 3 319.408 1.195 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCC[C@@H]1CCO ZINC000348155288 283393649 /nfs/dbraw/zinc/39/36/49/283393649.db2.gz BYFQUVZCXWMXOM-OCCSQVGLSA-N 0 3 321.377 1.982 20 5 DDBDHN C[C@@H](CN1CCCCCC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000185421727 199851488 /nfs/dbraw/zinc/85/14/88/199851488.db2.gz BLKCTKWMPKGEKE-NSHDSACASA-N 0 3 321.381 1.566 20 5 DDBDHN CCN[C@H](C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602457265 358990497 /nfs/dbraw/zinc/99/04/97/358990497.db2.gz DCAFFIFVDZJVHN-GFCCVEGCSA-N 0 3 321.377 1.963 20 5 DDBDHN CO[C@]1(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCOC1 ZINC000602472602 359001460 /nfs/dbraw/zinc/00/14/60/359001460.db2.gz JBTCOSOISMCYIR-DOMZBBRYSA-N 0 3 322.365 1.282 20 5 DDBDHN CN(CCN(C)C1CC1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000186778602 200009350 /nfs/dbraw/zinc/00/93/50/200009350.db2.gz WIGVZTKVJHAXBD-UHFFFAOYSA-N 0 3 321.377 1.987 20 5 DDBDHN C[C@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000187273286 200087110 /nfs/dbraw/zinc/08/71/10/200087110.db2.gz QOMOFGOVFPBIEH-NSHDSACASA-N 0 3 306.366 1.639 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000604265801 359730533 /nfs/dbraw/zinc/73/05/33/359730533.db2.gz RUBPOFULYGKDLZ-LBPRGKRZSA-N 0 3 306.366 1.634 20 5 DDBDHN CN1CCC[C@H](N2CCN(Cc3csc([N+](=O)[O-])c3)CC2)C1 ZINC000609672351 360342641 /nfs/dbraw/zinc/34/26/41/360342641.db2.gz BFBVSPAOFBYEFH-AWEZNQCLSA-N 0 3 324.450 1.868 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNCCCn1cncn1)OCCO2 ZINC000609440294 360307908 /nfs/dbraw/zinc/30/79/08/360307908.db2.gz CCLGMSQVJBOTFO-UHFFFAOYSA-N 0 3 319.321 1.137 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000609479006 360311074 /nfs/dbraw/zinc/31/10/74/360311074.db2.gz HJXOLPJPVPIJDT-JTQLQIEISA-N 0 3 307.354 1.094 20 5 DDBDHN C[C@@](CO)(NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000611185110 360652749 /nfs/dbraw/zinc/65/27/49/360652749.db2.gz DDXBKQCCIQGIPE-INIZCTEOSA-N 0 3 317.345 1.254 20 5 DDBDHN CCC[C@@H](NCCc1nnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000611327640 360699443 /nfs/dbraw/zinc/69/94/43/360699443.db2.gz NRVGMRHXMSXILL-CYBMUJFWSA-N 0 3 304.354 1.792 20 5 DDBDHN C[NH2+]CCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000193236572 201010749 /nfs/dbraw/zinc/01/07/49/201010749.db2.gz XXVKXEKSYLWWBA-UHFFFAOYSA-N 0 3 301.368 1.099 20 5 DDBDHN C[C@H](NC(=O)[C@@H](N)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000261899311 203147858 /nfs/dbraw/zinc/14/78/58/203147858.db2.gz WJRBMFGKOJNNGF-HZMBPMFUSA-N 0 3 307.350 1.526 20 5 DDBDHN CCOC(=O)[C@H](C)[C@H](C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000274889852 212012531 /nfs/dbraw/zinc/01/25/31/212012531.db2.gz JEEWLVYOPVNILK-SUNKGSAMSA-N 0 3 310.350 1.806 20 5 DDBDHN Cc1cc(N2CCN(C[C@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC000267399833 206038036 /nfs/dbraw/zinc/03/80/36/206038036.db2.gz PFDVZCVVPJWSKW-CYBMUJFWSA-N 0 3 306.366 1.457 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000359595210 299495622 /nfs/dbraw/zinc/49/56/22/299495622.db2.gz OWGLSYRXYFETGJ-QWRGUYRKSA-N 0 3 313.427 1.601 20 5 DDBDHN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000274117919 211370326 /nfs/dbraw/zinc/37/03/26/211370326.db2.gz WPBHUJDBUXUFCO-NEPJUHHUSA-N 0 3 307.350 1.572 20 5 DDBDHN CCCN(CCN(C)C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000104530796 194014001 /nfs/dbraw/zinc/01/40/01/194014001.db2.gz AWTPZUJSPCGTHO-UHFFFAOYSA-N 0 3 319.365 1.885 20 5 DDBDHN CCN1CCC(NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000104834085 194045291 /nfs/dbraw/zinc/04/52/91/194045291.db2.gz WEVIPBIQJJWVLD-UHFFFAOYSA-N 0 3 306.366 1.700 20 5 DDBDHN Cc1ccc(CN2CCO[C@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000284719166 218147838 /nfs/dbraw/zinc/14/78/38/218147838.db2.gz UTHHUGJRDMOMSA-CVEARBPZSA-N 0 3 305.378 1.808 20 5 DDBDHN Nc1ccc(C(=O)N[C@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000106791617 194253351 /nfs/dbraw/zinc/25/33/51/194253351.db2.gz RUYWCFUMTFOBIK-LBPRGKRZSA-N 0 3 318.377 1.924 20 5 DDBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000341068137 251365702 /nfs/dbraw/zinc/36/57/02/251365702.db2.gz YCTMWNUAEPMJRT-VXGBXAGGSA-N 0 3 309.370 1.170 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H](CO)C1 ZINC000248374767 285164286 /nfs/dbraw/zinc/16/42/86/285164286.db2.gz TYTJKUCFSCMHCS-OLZOCXBDSA-N 0 3 310.350 1.039 20 5 DDBDHN COC[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000181567573 285397689 /nfs/dbraw/zinc/39/76/89/285397689.db2.gz RSUDBOKDTPZQTD-AWEZNQCLSA-N 0 3 307.350 1.572 20 5 DDBDHN COc1ccc(CNC(=O)[C@@H]2NCCCC2(C)C)cc1[N+](=O)[O-] ZINC000423054245 533640576 /nfs/dbraw/zinc/64/05/76/533640576.db2.gz BOGGTIFCYYEHQU-AWEZNQCLSA-N 0 3 321.377 1.998 20 5 DDBDHN Cc1n[n-]c(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000299441402 533665913 /nfs/dbraw/zinc/66/59/13/533665913.db2.gz KJQYUKBEXOGCRX-VIFPVBQESA-N 0 3 307.310 1.252 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C(C)(C)CC[NH3+])c1[N+](=O)[O-] ZINC000422553982 292087366 /nfs/dbraw/zinc/08/73/66/292087366.db2.gz VSCKTHJRBSIBKN-UHFFFAOYSA-N 0 3 315.395 1.617 20 5 DDBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000360726966 299731385 /nfs/dbraw/zinc/73/13/85/299731385.db2.gz TYEKJXYLOXDODD-JTQLQIEISA-N 0 3 309.370 1.131 20 5 DDBDHN COc1ccc(CN[C@@H](C)CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000124278005 286311964 /nfs/dbraw/zinc/31/19/64/286311964.db2.gz GTALYHUFPZEWAB-ZDUSSCGKSA-N 0 3 323.393 1.804 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000053254432 407165109 /nfs/dbraw/zinc/16/51/09/407165109.db2.gz FVZAJHOMDQUILK-MRVPVSSYSA-N 0 3 319.770 1.279 20 5 DDBDHN NC(=O)c1ccc(CN2CCN(CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000053237817 407165704 /nfs/dbraw/zinc/16/57/04/407165704.db2.gz JPYCKPIOOOKOSV-UHFFFAOYSA-N 0 3 318.377 1.221 20 5 DDBDHN C[C@@H]1C[C@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000124811744 407370227 /nfs/dbraw/zinc/37/02/27/407370227.db2.gz LLPVMHOMXAFNEL-CHWSQXEVSA-N 0 3 321.377 1.915 20 5 DDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CCN(C)CC1 ZINC000171222557 407632935 /nfs/dbraw/zinc/63/29/35/407632935.db2.gz BMCLPGQGZREYFL-UHFFFAOYSA-N 0 3 320.393 1.827 20 5 DDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000115439649 407681382 /nfs/dbraw/zinc/68/13/82/407681382.db2.gz SATXPXGZKKXFRT-ZDUSSCGKSA-N 0 3 320.393 1.807 20 5 DDBDHN O=C(C[C@H]1CSCCN1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000238083159 407886380 /nfs/dbraw/zinc/88/63/80/407886380.db2.gz JNGDGIRQPMXMBP-ZDUSSCGKSA-N 0 3 321.402 1.575 20 5 DDBDHN C[C@@H]1Cc2ccccc2CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173801517 407897773 /nfs/dbraw/zinc/89/77/73/407897773.db2.gz GLQMLHMIUYTUQV-WBMJQRKESA-N 0 3 316.361 1.599 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000268276226 407981408 /nfs/dbraw/zinc/98/14/08/407981408.db2.gz WGHODFVLYIRGOD-XHDPSFHLSA-N 0 3 303.362 1.736 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269549192 408351100 /nfs/dbraw/zinc/35/11/00/408351100.db2.gz XJARPNMCFVNIPB-QWRGUYRKSA-N 0 3 323.397 1.854 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000171807615 162243290 /nfs/dbraw/zinc/24/32/90/162243290.db2.gz FWNHPVVADIPLJZ-SNVBAGLBSA-N 0 3 307.354 1.191 20 5 DDBDHN CC(C)C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)N(C)C ZINC000176654891 408413844 /nfs/dbraw/zinc/41/38/44/408413844.db2.gz OVXXENROURIAQB-NSHDSACASA-N 0 3 308.382 1.883 20 5 DDBDHN Cc1cc(N[C@@H](C)CCN2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000274526537 408439236 /nfs/dbraw/zinc/43/92/36/408439236.db2.gz XSVCGDVLLBPTMK-ZDUSSCGKSA-N 0 3 307.398 1.736 20 5 DDBDHN C[C@@H]1CCC[C@@H](CO)N1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248441389 408565022 /nfs/dbraw/zinc/56/50/22/408565022.db2.gz DQGXXAUHODJIDV-HZSPNIEDSA-N 0 3 324.377 1.570 20 5 DDBDHN CC(C)[C@@H](N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161977543 408657154 /nfs/dbraw/zinc/65/71/54/408657154.db2.gz BUGFWOVZUSTSRK-OAHLLOKOSA-N 0 3 321.377 1.948 20 5 DDBDHN CCSCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000276157268 408823318 /nfs/dbraw/zinc/82/33/18/408823318.db2.gz FONSSCZLBPHJND-UHFFFAOYSA-N 0 3 318.420 1.711 20 5 DDBDHN C[C@@]1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCCCN1 ZINC000237498121 163379894 /nfs/dbraw/zinc/37/98/94/163379894.db2.gz MHGMIMYXKRTCIJ-HNNXBMFYSA-N 0 3 306.366 1.655 20 5 DDBDHN CO[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246122141 163458790 /nfs/dbraw/zinc/45/87/90/163458790.db2.gz NMZBZPAPDWCOTL-UKRRQHHQSA-N 0 3 310.350 1.445 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000287260920 409010275 /nfs/dbraw/zinc/01/02/75/409010275.db2.gz RRIIEIWHEUOHGV-LBPRGKRZSA-N 0 3 320.393 1.875 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(C)C2)c1 ZINC000283411235 409151562 /nfs/dbraw/zinc/15/15/62/409151562.db2.gz HYTWVARPICUUDJ-LLVKDONJSA-N 0 3 307.350 1.675 20 5 DDBDHN NC(=O)c1ccc(CN[C@@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000279167522 409162047 /nfs/dbraw/zinc/16/20/47/409162047.db2.gz BRFSSMVVFNQKJF-ZWNOBZJWSA-N 0 3 307.350 1.334 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)CCCN1CCN(C)CC1 ZINC000289375225 409256848 /nfs/dbraw/zinc/25/68/48/409256848.db2.gz BSFDQNHTOCTOFF-UHFFFAOYSA-N 0 3 320.437 1.973 20 5 DDBDHN COc1ccc(CNC[C@@H](CO)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280315850 409291117 /nfs/dbraw/zinc/29/11/17/409291117.db2.gz OUWUNENRQDNYLV-OLZOCXBDSA-N 0 3 310.350 1.338 20 5 DDBDHN CN(CCn1ccc([N+](=O)[O-])n1)[C@H](CC(N)=O)c1ccccc1 ZINC000280552668 409356220 /nfs/dbraw/zinc/35/62/20/409356220.db2.gz QOLNLTLCHXZCDS-CYBMUJFWSA-N 0 3 317.349 1.340 20 5 DDBDHN C[C@@H]1CCOCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000373280173 164169401 /nfs/dbraw/zinc/16/94/01/164169401.db2.gz JMGOGFHUOUVIAQ-CHWSQXEVSA-N 0 3 310.350 1.445 20 5 DDBDHN CN(CCN(C)C1CC1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000354081312 409636395 /nfs/dbraw/zinc/63/63/95/409636395.db2.gz DAJYRUQQQBEKJD-UHFFFAOYSA-N 0 3 309.370 1.079 20 5 DDBDHN Cc1ccc([C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000304943453 409647447 /nfs/dbraw/zinc/64/74/47/409647447.db2.gz PRJJUTPYHUILFK-BXUZGUMPSA-N 0 3 322.340 1.951 20 5 DDBDHN CS[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000342699381 409823052 /nfs/dbraw/zinc/82/30/52/409823052.db2.gz IFBTZDNRDDHWCZ-NWDGAFQWSA-N 0 3 324.406 1.176 20 5 DDBDHN CNc1ccc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000317099097 409862594 /nfs/dbraw/zinc/86/25/94/409862594.db2.gz BIAQNKFBILJHQE-PWSUYJOCSA-N 0 3 306.366 1.849 20 5 DDBDHN CN1CC[C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342870934 409962443 /nfs/dbraw/zinc/96/24/43/409962443.db2.gz BXMBYNJVOBLLNZ-SNVBAGLBSA-N 0 3 302.334 1.758 20 5 DDBDHN COCCN(C)CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342880489 409968849 /nfs/dbraw/zinc/96/88/49/409968849.db2.gz IYAOBOMUWNYMKK-UHFFFAOYSA-N 0 3 320.349 1.384 20 5 DDBDHN CCCCN(C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354630933 409979785 /nfs/dbraw/zinc/97/97/85/409979785.db2.gz WRYSSJZDLMOFIV-UHFFFAOYSA-N 0 3 315.395 1.605 20 5 DDBDHN COC(=O)c1cc(C)nc(N(CCN(C)C)C(C)C)c1[N+](=O)[O-] ZINC000342838640 409938905 /nfs/dbraw/zinc/93/89/05/409938905.db2.gz HSHWNEUGRIHFDB-UHFFFAOYSA-N 0 3 324.381 1.861 20 5 DDBDHN O=C(NCCNc1ccncc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000351647429 410131964 /nfs/dbraw/zinc/13/19/64/410131964.db2.gz BXWZYFQNABHHBZ-UHFFFAOYSA-N 0 3 319.296 1.784 20 5 DDBDHN CCOc1ccc([C@H](C)NC[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358251982 410419941 /nfs/dbraw/zinc/41/99/41/410419941.db2.gz NDFMMNRJFANMOT-LRDDRELGSA-N 0 3 323.393 1.711 20 5 DDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCN(C2CCCC2)C1 ZINC000301212218 410679006 /nfs/dbraw/zinc/67/90/06/410679006.db2.gz XLTXFZYIEXFZKO-JTQLQIEISA-N 0 3 319.365 1.518 20 5 DDBDHN COc1ccc(OCCN2C[C@@H]3CC[C@H](O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000344054460 410923122 /nfs/dbraw/zinc/92/31/22/410923122.db2.gz IXZSRJJQWUKLAJ-WHOFXGATSA-N 0 3 322.361 1.685 20 5 DDBDHN CC(C)CN1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000360449309 418438320 /nfs/dbraw/zinc/43/83/20/418438320.db2.gz QIGNIUMJCHXUHA-UHFFFAOYSA-N 0 3 320.393 1.981 20 5 DDBDHN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCN2CCC[C@@H]2C1 ZINC000195190702 222193204 /nfs/dbraw/zinc/19/32/04/222193204.db2.gz XAOYPCVFGWFEDS-GFCCVEGCSA-N 0 3 314.345 1.996 20 5 DDBDHN C[C@@H]1OCC[C@@H]1N(CCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000361588125 418687899 /nfs/dbraw/zinc/68/78/99/418687899.db2.gz XQZHCFNGGAAHAH-BBRMVZONSA-N 0 3 324.377 1.835 20 5 DDBDHN CCO[C@@H]1COCC[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000362009293 418738595 /nfs/dbraw/zinc/73/85/95/418738595.db2.gz APLVABVCAFOGNJ-SWLSCSKDSA-N 0 3 310.350 1.757 20 5 DDBDHN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000364924586 418822839 /nfs/dbraw/zinc/82/28/39/418822839.db2.gz AXJYWWQSPNTYKW-SNPRPXQTSA-N 0 3 303.362 1.723 20 5 DDBDHN COC(=O)COc1ccc(CN[C@H]2C[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000418100007 419530936 /nfs/dbraw/zinc/53/09/36/419530936.db2.gz CQTWTIMMMUGKPL-WGRBQBNCSA-N 0 3 324.333 1.150 20 5 DDBDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000421237753 419534734 /nfs/dbraw/zinc/53/47/34/419534734.db2.gz LBQFJLADEOKKBT-ZDUSSCGKSA-N 0 3 320.349 1.086 20 5 DDBDHN C[C@@H]1CN(CCO)[C@H](C)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000418109209 419537429 /nfs/dbraw/zinc/53/74/29/419537429.db2.gz HXOVKGSHVRNCKP-IPKOWEFYSA-N 0 3 319.405 1.995 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)C(C)(C)CN2CCCC2)n1 ZINC000416094808 420247667 /nfs/dbraw/zinc/24/76/67/420247667.db2.gz BDMYLWAIXMIVBR-UHFFFAOYSA-N 0 3 323.397 1.758 20 5 DDBDHN CNC(=O)c1ccc(N(C)C[C@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000420629993 420334544 /nfs/dbraw/zinc/33/45/44/420334544.db2.gz DATJHWNBJKYMSK-GFCCVEGCSA-N 0 3 306.366 1.485 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCN(C)C1 ZINC000416493202 420392884 /nfs/dbraw/zinc/39/28/84/420392884.db2.gz CXVPPMXMZNOPII-LLVKDONJSA-N 0 3 313.379 1.133 20 5 DDBDHN CN(C)CCOCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000492370143 420536924 /nfs/dbraw/zinc/53/69/24/420536924.db2.gz QQGDJNALSCHOAR-VMPITWQZSA-N 0 3 307.350 1.302 20 5 DDBDHN C[C@H]1NCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000417766917 420473210 /nfs/dbraw/zinc/47/32/10/420473210.db2.gz PTUUTVIRGRDDJW-NEPJUHHUSA-N 0 3 306.366 1.529 20 5 DDBDHN Cc1nn(C)c(C(=O)NCCN2CCCC2(C)C)c1[N+](=O)[O-] ZINC000457070360 420601831 /nfs/dbraw/zinc/60/18/31/420601831.db2.gz GOGRTRSTWNPANE-UHFFFAOYSA-N 0 3 309.370 1.241 20 5 DDBDHN CC(C)N1CC[C@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000450957339 420569986 /nfs/dbraw/zinc/56/99/86/420569986.db2.gz UESGXLNEGPUQLI-JTQLQIEISA-N 0 3 307.354 1.008 20 5 DDBDHN CNc1nc(C(=O)N[C@@H](C)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000454694570 420910356 /nfs/dbraw/zinc/91/03/56/420910356.db2.gz VCDYXCBQRYYANK-NSHDSACASA-N 0 3 321.381 1.636 20 5 DDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@](O)(CO)C1 ZINC000459727664 420858401 /nfs/dbraw/zinc/85/84/01/420858401.db2.gz RADGWICRIFVNAM-WDBUWWRISA-N 0 3 306.362 1.817 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC[C@@](C)(O)COC ZINC000449384443 421002969 /nfs/dbraw/zinc/00/29/69/421002969.db2.gz NNXKDBIAJOOQSD-OAHLLOKOSA-N 0 3 312.366 1.871 20 5 DDBDHN CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000495808247 421068768 /nfs/dbraw/zinc/06/87/68/421068768.db2.gz MSAYHXAGMUMZKU-AAEUAGOBSA-N 0 3 324.333 1.552 20 5 DDBDHN CC(COC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2)[N+](=O)[O-] ZINC000496558823 421274240 /nfs/dbraw/zinc/27/42/40/421274240.db2.gz LFGFYZNIHMESQD-ZJUUUORDSA-N 0 3 314.338 1.452 20 5 DDBDHN COc1ccc(CC(=O)N(C)[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000525524752 421292676 /nfs/dbraw/zinc/29/26/76/421292676.db2.gz JHXJAXUSJHUEMV-CYBMUJFWSA-N 0 3 321.377 1.699 20 5 DDBDHN CC(COC(=O)[C@H](F)C1CN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000497165031 421375708 /nfs/dbraw/zinc/37/57/08/421375708.db2.gz KHCZVFZRYPVVNF-WCBMZHEXSA-N 0 3 320.317 1.400 20 5 DDBDHN CNc1ccc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000531482988 421635209 /nfs/dbraw/zinc/63/52/09/421635209.db2.gz JXPUARZCZCYKNO-CMPLNLGQSA-N 0 3 318.377 1.992 20 5 DDBDHN O=C(NCCNc1ccncc1)NCc1cccc([N+](=O)[O-])c1 ZINC000534526858 421692649 /nfs/dbraw/zinc/69/26/49/421692649.db2.gz LXTHEJJHNMZBBY-UHFFFAOYSA-N 0 3 315.333 1.323 20 5 DDBDHN CC(=O)N1CC(N[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000572060927 421762835 /nfs/dbraw/zinc/76/28/35/421762835.db2.gz SWNKARLFEVDJDJ-JTQLQIEISA-N 0 3 320.349 1.132 20 5 DDBDHN Cc1cc(S(=O)(=O)N2CCCNCC2)c(C)cc1[N+](=O)[O-] ZINC000575332278 422292336 /nfs/dbraw/zinc/29/23/36/422292336.db2.gz RYZBZZLDZJZLJJ-UHFFFAOYSA-N 0 3 313.379 1.196 20 5 DDBDHN CSC[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000578499755 422583989 /nfs/dbraw/zinc/58/39/89/422583989.db2.gz YXYSPUWNPBWRPB-JTQLQIEISA-N 0 3 318.420 1.710 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@@H]1C[C@H](OC)CN1C ZINC000578663572 422621708 /nfs/dbraw/zinc/62/17/08/422621708.db2.gz QJZQSUSWAPVVAM-RYUDHWBXSA-N 0 3 311.386 1.275 20 5 DDBDHN CN(C)Cc1cccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000033089625 263253044 /nfs/dbraw/zinc/25/30/44/263253044.db2.gz LNGSKHYTZYPMJL-UHFFFAOYSA-N 0 3 317.349 1.169 20 5 DDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000323185156 271030885 /nfs/dbraw/zinc/03/08/85/271030885.db2.gz AXUAVHNOPDCALK-LLVKDONJSA-N 0 3 319.365 1.272 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000344593445 272066461 /nfs/dbraw/zinc/06/64/61/272066461.db2.gz CCUIQKISQUWMBO-GFCCVEGCSA-N 0 3 323.397 1.336 20 5 DDBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1c(N)cccc1[N+](=O)[O-])C2 ZINC000180835443 277215214 /nfs/dbraw/zinc/21/52/14/277215214.db2.gz BUHVYSOMIGZUJH-WDEREUQCSA-N 0 3 304.350 1.486 20 5 DDBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1N(C)C ZINC000332718673 278165604 /nfs/dbraw/zinc/16/56/04/278165604.db2.gz QQVVTAWONSKYRB-QWRGUYRKSA-N 0 3 312.395 1.051 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](C2CCOCC2)C1 ZINC000362471778 300072109 /nfs/dbraw/zinc/07/21/09/300072109.db2.gz SSNJAWXJCZQIKV-AWEZNQCLSA-N 0 3 321.377 1.505 20 5 DDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000363265558 300242094 /nfs/dbraw/zinc/24/20/94/300242094.db2.gz FYFAKBOAEKPFSW-GJZGRUSLSA-N 0 3 319.361 1.117 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000368587930 301059401 /nfs/dbraw/zinc/05/94/01/301059401.db2.gz BUQQVMYWXKYPHJ-GXTWGEPZSA-N 0 3 319.361 1.526 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000368596674 301061136 /nfs/dbraw/zinc/06/11/36/301061136.db2.gz VVHQXTMTTFQXKN-IUODEOHRSA-N 0 3 303.362 1.690 20 5 DDBDHN CN1CCN(C[C@@H]2CCCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000369028594 301121884 /nfs/dbraw/zinc/12/18/84/301121884.db2.gz XHQWPJFHGWCGLR-AWEZNQCLSA-N 0 3 319.409 1.454 20 5 DDBDHN Cc1cc(C(=O)NC[C@]2(O)CN3CCC2CC3)cc([N+](=O)[O-])c1 ZINC000576066994 304749704 /nfs/dbraw/zinc/74/97/04/304749704.db2.gz BIOOXZSSCNXPKP-INIZCTEOSA-N 0 3 319.361 1.090 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CC[NH2+][C@@H](C)C1 ZINC000235716117 302050462 /nfs/dbraw/zinc/05/04/62/302050462.db2.gz LYXHXMCKXNASLG-QWRGUYRKSA-N 0 3 313.379 1.322 20 5 DDBDHN CO[C@@H]1C[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000451496040 302399983 /nfs/dbraw/zinc/39/99/83/302399983.db2.gz LOXNUFSAGVQUIQ-QWHCGFSZSA-N 0 3 307.350 1.597 20 5 DDBDHN O=C(NCCN1CCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000357682584 306906208 /nfs/dbraw/zinc/90/62/08/306906208.db2.gz QMIDTSOOBINMBV-UHFFFAOYSA-N 0 3 302.334 1.902 20 5 DDBDHN Nc1c(C(=O)N2CCC[C@@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000371854996 307159031 /nfs/dbraw/zinc/15/90/31/307159031.db2.gz YNOWGOPPISNCLE-GFCCVEGCSA-N 0 3 318.377 1.877 20 5 DDBDHN CC(COC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1)[N+](=O)[O-] ZINC000496582006 307352011 /nfs/dbraw/zinc/35/20/11/307352011.db2.gz IYNXMGBSGGYNCQ-VHSXEESVSA-N 0 3 316.354 1.983 20 5 DDBDHN CC(COC(=O)CC[C@@H](C)NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000497286059 307388763 /nfs/dbraw/zinc/38/87/63/307388763.db2.gz OTCWUQMNVPIWHX-ZJUUUORDSA-N 0 3 304.343 1.888 20 5 DDBDHN COCCN(C)C[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574168847 308263955 /nfs/dbraw/zinc/26/39/55/308263955.db2.gz KUTFCXRCVTYYPU-DOMZBBRYSA-N 0 3 311.382 1.185 20 5 DDBDHN CCN(C)C[C@@H](O)Cn1cnc2cc3ccccc3cc2c1=O ZINC000582616703 337115297 /nfs/dbraw/zinc/11/52/97/337115297.db2.gz PHIWMXRPJOZIRL-OAHLLOKOSA-N 0 3 311.385 1.862 20 5 DDBDHN COc1cc(CN[C@H]2CCCC[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000445765506 533903274 /nfs/dbraw/zinc/90/32/74/533903274.db2.gz MAFUONCQOBJYKD-RYUDHWBXSA-N 0 3 307.350 1.737 20 5 DDBDHN CC(C)(C)OC(=O)[C@@]1(C)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000459581335 526515129 /nfs/dbraw/zinc/51/51/29/526515129.db2.gz KXWRZPFJMFAOIP-HNNXBMFYSA-N 0 3 324.381 1.845 20 5 DDBDHN CCN(C)CCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294915959 527798237 /nfs/dbraw/zinc/79/82/37/527798237.db2.gz JNHCNQHXAQEUPR-UHFFFAOYSA-N 0 3 317.349 1.666 20 5 DDBDHN O=[N+]([O-])c1cnn(CN2CCCN(Cc3ccccc3)CC2)c1 ZINC000075581630 696422049 /nfs/dbraw/zinc/42/20/49/696422049.db2.gz OWXTYQQIIYLHTF-UHFFFAOYSA-N 0 3 315.377 1.957 20 5 DDBDHN CC(C)N1CCO[C@@H](C(=N)NOCc2cccc([N+](=O)[O-])c2)C1 ZINC000779648750 698448162 /nfs/dbraw/zinc/44/81/62/698448162.db2.gz GGICMERNCUHXLV-CQSZACIVSA-N 0 3 322.365 1.702 20 5 DDBDHN CN(CCCN(C)Cn1nccc1[N+](=O)[O-])Cc1ccco1 ZINC000795751878 699889327 /nfs/dbraw/zinc/88/93/27/699889327.db2.gz KZSXRIGOVRGCCM-UHFFFAOYSA-N 0 3 307.354 1.796 20 5 DDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000816953654 702237920 /nfs/dbraw/zinc/23/79/20/702237920.db2.gz LOOSPBQXZXQKGV-ABAIWWIYSA-N 0 3 318.377 1.437 20 5 DDBDHN CC(COC(=O)c1ccc(OCC(F)(F)F)cn1)[N+](=O)[O-] ZINC000813100286 702290125 /nfs/dbraw/zinc/29/01/25/702290125.db2.gz QAEKQVKXCYVJMV-SSDOTTSWSA-N 0 3 308.212 1.845 20 5 DDBDHN CCc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1S(C)(=O)=O ZINC000813103700 702292051 /nfs/dbraw/zinc/29/20/51/702292051.db2.gz FREALNIDKMWZSH-SECBINFHSA-N 0 3 315.347 1.475 20 5 DDBDHN CC(COC(=O)CC[C@H]1Cc2ccccc2NC1=O)[N+](=O)[O-] ZINC000813107632 702294254 /nfs/dbraw/zinc/29/42/54/702294254.db2.gz PNQLMFJQEISXMI-PWSUYJOCSA-N 0 3 306.318 1.786 20 5 DDBDHN COC(=O)c1cn(CC(=O)OCC(C)[N+](=O)[O-])c2ccccc12 ZINC000813107702 702294467 /nfs/dbraw/zinc/29/44/67/702294467.db2.gz UPLIGZUOPYCKMG-JTQLQIEISA-N 0 3 320.301 1.636 20 5 DDBDHN CC(COC(=O)Cc1cccc(N2CCCC2=O)c1)[N+](=O)[O-] ZINC000813108293 702295203 /nfs/dbraw/zinc/29/52/03/702295203.db2.gz XGGVCTHDLGNBAK-NSHDSACASA-N 0 3 306.318 1.564 20 5 DDBDHN CC(COC(=O)c1cccnc1OCC(F)(F)F)[N+](=O)[O-] ZINC000813110700 702296984 /nfs/dbraw/zinc/29/69/84/702296984.db2.gz HQPMLQPKYTZLED-ZETCQYMHSA-N 0 3 308.212 1.845 20 5 DDBDHN Cc1nc2ccnn2c(C)c1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813112142 702297836 /nfs/dbraw/zinc/29/78/36/702297836.db2.gz CIMJYGPNMLSWLM-SECBINFHSA-N 0 3 306.322 1.487 20 5 DDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1nc(C)cc(C)n1 ZINC000813114765 702299135 /nfs/dbraw/zinc/29/91/35/702299135.db2.gz WLCFZQXTNXPYKA-LLVKDONJSA-N 0 3 319.321 1.410 20 5 DDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H](O)CO ZINC000817417830 702376529 /nfs/dbraw/zinc/37/65/29/702376529.db2.gz RQANTAJKHDDSQN-NSHDSACASA-N 0 3 302.758 1.812 20 5 DDBDHN CC[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000843116325 702822122 /nfs/dbraw/zinc/82/21/22/702822122.db2.gz WNFGJHJOFYIKAW-QJPTWQEYSA-N 0 3 304.293 1.622 20 5 DDBDHN C[C@H]1NCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000843472991 702888956 /nfs/dbraw/zinc/88/89/56/702888956.db2.gz UWVCXJPQQFRJDN-MNOVXSKESA-N 0 3 317.349 1.153 20 5 DDBDHN CCCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000843987274 702949284 /nfs/dbraw/zinc/94/92/84/702949284.db2.gz DLDPBLSKNZATNL-LSDHHAIUSA-N 0 3 321.377 1.571 20 5 DDBDHN CC[C@H]1CN(C)CCCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846972751 703359156 /nfs/dbraw/zinc/35/91/56/703359156.db2.gz MMWKJAPOBYVRCG-ZFWWWQNUSA-N 0 3 321.377 1.571 20 5 DDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000848351485 703542061 /nfs/dbraw/zinc/54/20/61/703542061.db2.gz DMEYMQSLYYIMTC-GJZGRUSLSA-N 0 3 318.377 1.924 20 5 DDBDHN CC(COC(=O)[C@H]1c2ccccc2C(=O)OC1(C)C)[N+](=O)[O-] ZINC000870378473 704015408 /nfs/dbraw/zinc/01/54/08/704015408.db2.gz XFHXDFZFGCOXDA-JOYOIKCWSA-N 0 3 307.302 1.928 20 5 DDBDHN CN1CCN(CC2CN(c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000858612164 704734528 /nfs/dbraw/zinc/73/45/28/704734528.db2.gz XXYSMWHRVAMCQC-UHFFFAOYSA-N 0 3 324.812 1.932 20 5 DDBDHN CC(C)[C@@H]1CN(C)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823179373 705163332 /nfs/dbraw/zinc/16/33/32/705163332.db2.gz MMGGOYZBLMYHMD-HOTGVXAUSA-N 0 3 307.394 1.900 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874845028 705199528 /nfs/dbraw/zinc/19/95/28/705199528.db2.gz FFHMFTMKXKPHGU-KGLIPLIRSA-N 0 3 319.361 1.912 20 5 DDBDHN CNc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000874848398 705202224 /nfs/dbraw/zinc/20/22/24/705202224.db2.gz SGBVGBZXBBYDNV-ZIAGYGMSSA-N 0 3 318.377 1.945 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000897218459 708256746 /nfs/dbraw/zinc/25/67/46/708256746.db2.gz CUFOEWYKWTUBCP-OLZOCXBDSA-N 0 3 323.397 1.155 20 5 DDBDHN Cc1cc(N2CC[C@H]3[C@H]2CCCN3CCO)ncc1[N+](=O)[O-] ZINC000897220417 708258807 /nfs/dbraw/zinc/25/88/07/708258807.db2.gz AYBTWJRBMLILOM-QWHCGFSZSA-N 0 3 306.366 1.334 20 5 DDBDHN O=C(OCc1cccnc1[N+](=O)[O-])C1CCN(C2CC2)CC1 ZINC000884495903 708316099 /nfs/dbraw/zinc/31/60/99/708316099.db2.gz HCFPFRWLKTVUEG-UHFFFAOYSA-N 0 3 305.334 1.907 20 5 DDBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCC2)C1 ZINC000912928339 713127159 /nfs/dbraw/zinc/12/71/59/713127159.db2.gz IIFBIAIOLSQEMJ-QZDDGCDVSA-N 0 3 301.346 1.915 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000928435839 713194886 /nfs/dbraw/zinc/19/48/86/713194886.db2.gz DEAFQGRXNCMFBS-VXGBXAGGSA-N 0 3 306.366 1.240 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCO[C@]12CCOC2 ZINC000903090512 711029161 /nfs/dbraw/zinc/02/91/61/711029161.db2.gz CJDQPJMTQOCOFA-GJZGRUSLSA-N 0 3 308.334 1.641 20 5 DDBDHN CC1(C)CNCCN1C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911849085 711031161 /nfs/dbraw/zinc/03/11/61/711031161.db2.gz YZFXIJZCIRNNQJ-KGLIPLIRSA-N 0 3 303.362 1.909 20 5 DDBDHN Cc1cc(C(=O)N(CCO)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000911933586 711075059 /nfs/dbraw/zinc/07/50/59/711075059.db2.gz LSQCCALCKJFGNG-UHFFFAOYSA-N 0 3 321.377 1.432 20 5 DDBDHN CC[C@@H](NCC[N+](=O)[O-])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000905185543 711961966 /nfs/dbraw/zinc/96/19/66/711961966.db2.gz CGXITHDNGGHOSC-HUUCEWRRSA-N 0 3 303.366 1.821 20 5 DDBDHN CC(C)N1CCC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000929407748 713604614 /nfs/dbraw/zinc/60/46/14/713604614.db2.gz HCTQLHOSXZKNOF-HNNXBMFYSA-N 0 3 320.393 1.996 20 5 DDBDHN C[C@H](O)[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000929750675 713682275 /nfs/dbraw/zinc/68/22/75/713682275.db2.gz WKNZCSMRERTLMF-NHYWBVRUSA-N 0 3 310.350 1.180 20 5 DDBDHN COC(=O)COc1ccc(CN[C@H]2COC[C@H]2C)cc1[N+](=O)[O-] ZINC000922641356 714108816 /nfs/dbraw/zinc/10/88/16/714108816.db2.gz GZJLPMVRJXEWND-PWSUYJOCSA-N 0 3 324.333 1.271 20 5 DDBDHN CCn1nccc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126185154 738483712 /nfs/dbraw/zinc/48/37/12/738483712.db2.gz VQSDRJLNNXCOIH-UHFFFAOYSA-N 0 3 317.349 1.331 20 5 DDBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1cnco1 ZINC001020447303 732387019 /nfs/dbraw/zinc/38/70/19/732387019.db2.gz RXPMKEJDCGJTSU-HAQNSBGRSA-N 0 3 316.317 1.633 20 5 DDBDHN Cc1ccnc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)n1 ZINC001126468147 740279827 /nfs/dbraw/zinc/27/98/27/740279827.db2.gz PXGVSHZKFGUJEZ-UHFFFAOYSA-N 0 3 315.333 1.213 20 5 DDBDHN CS[C@@H]1CN(c2nn(C)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC001186174347 744357332 /nfs/dbraw/zinc/35/73/32/744357332.db2.gz CYJBGQHPHXUOFS-CMPLNLGQSA-N 0 3 311.411 1.344 20 5 DDBDHN CS[C@@H]1CN(c2nn(C)cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC001186174351 744357346 /nfs/dbraw/zinc/35/73/46/744357346.db2.gz CYJBGQHPHXUOFS-ZYHUDNBSSA-N 0 3 311.411 1.344 20 5 DDBDHN CCN(CC)CC(=O)NCCN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC001100121429 761891382 /nfs/dbraw/zinc/89/13/82/761891382.db2.gz ZBYBVAAYSCCFPX-UHFFFAOYSA-N 0 3 322.409 1.797 20 5 DDBDHN Cc1ccnc(N2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169057130 762211255 /nfs/dbraw/zinc/21/12/55/762211255.db2.gz UYMHUMFZJLGLEG-ZIAGYGMSSA-N 0 3 305.382 1.352 20 5 DDBDHN Cc1c(N[C@H](C)[C@H]2CNCCO2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001170565638 768164620 /nfs/dbraw/zinc/16/46/20/768164620.db2.gz CBLFTAPNKHXFAG-BXKDBHETSA-N 0 3 310.310 1.600 20 5 DDBDHN Cc1[nH]cnc1CC(=O)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001093777082 775101016 /nfs/dbraw/zinc/10/10/16/775101016.db2.gz UXRFGWVESBTXGS-UHFFFAOYSA-N 0 3 321.312 1.536 20 5 DDBDHN CNC(=O)[C@H](C)N[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173193314 777037711 /nfs/dbraw/zinc/03/77/11/777037711.db2.gz UPVUYMTXJPMAGL-IUCAKERBSA-N 0 3 313.329 1.398 20 5 DDBDHN CCN1C[C@H](NC(=O)c2ccnc(NC)c2[N+](=O)[O-])C(C)(C)C1 ZINC001156837420 863384253 /nfs/dbraw/zinc/38/42/53/863384253.db2.gz UGBDMTKTINKLLG-NSHDSACASA-N 0 3 321.381 1.492 20 5 DDBDHN CN1CCN(C(=N)Nc2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001157914887 864254942 /nfs/dbraw/zinc/25/49/42/864254942.db2.gz OBSHGKVZTMFMOT-UHFFFAOYSA-N 0 3 315.337 1.132 20 5 DDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001154022538 864326989 /nfs/dbraw/zinc/32/69/89/864326989.db2.gz LBJNKABUFLTMNJ-HTQZYQBOSA-N 0 3 313.745 1.280 20 5 DDBDHN CN1CCN(CCCNc2ccc3c([N+](=O)[O-])c[nH]c3n2)CC1 ZINC001161700643 866907011 /nfs/dbraw/zinc/90/70/11/866907011.db2.gz OFULSYVFZNOOBF-UHFFFAOYSA-N 0 3 318.381 1.521 20 5 DDBDHN O=[N+]([O-])c1cc(F)ccc1N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001335117120 868076590 /nfs/dbraw/zinc/07/65/90/868076590.db2.gz KNCAUYVTBUACJQ-STQMWFEESA-N 0 3 309.341 1.769 20 5 DDBDHN Cc1ccc(CNCCNC(=O)c2ccn[nH]2)cc1[N+](=O)[O-] ZINC001308345354 871492824 /nfs/dbraw/zinc/49/28/24/871492824.db2.gz PHSRKYIQAQVFCN-UHFFFAOYSA-N 0 3 303.322 1.146 20 5 DDBDHN COc1c([O-])ccc(C[NH2+]CC(O)(C2CC2)C2CC2)c1[N+](=O)[O-] ZINC001308866887 871533323 /nfs/dbraw/zinc/53/33/23/871533323.db2.gz YKBUQHACXYNLDC-UHFFFAOYSA-N 0 3 322.361 1.950 20 5 DDBDHN O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@H]2C[NH+]3CCC2CC3)[n-]1 ZINC001227094398 882828342 /nfs/dbraw/zinc/82/83/42/882828342.db2.gz AIDVYLWNQQETDR-ZDUSSCGKSA-N 0 3 316.317 1.717 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCCCN1C ZINC001353895341 877635592 /nfs/dbraw/zinc/63/55/92/877635592.db2.gz TVOYUUWNPPFVLM-LBPRGKRZSA-N 0 3 309.370 1.090 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000449330547 230600025 /nfs/dbraw/zinc/60/00/25/230600025.db2.gz UQLCWYIBYFHALN-DMDPSCGWSA-N 0 3 312.391 1.549 20 5 DDBDHN COC1(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCOCC1 ZINC000278670336 214314358 /nfs/dbraw/zinc/31/43/58/214314358.db2.gz LOOJUMDMLGFPLT-UHFFFAOYSA-N 0 3 320.349 1.756 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCN1C ZINC000319016654 231177631 /nfs/dbraw/zinc/17/76/31/231177631.db2.gz CPKLVXMJPCGWLS-WPRPVWTQSA-N 0 3 310.329 1.529 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(CO)CC1 ZINC000181549351 199315633 /nfs/dbraw/zinc/31/56/33/199315633.db2.gz CGORVJRVIPLWOH-ZDUSSCGKSA-N 0 3 310.350 1.039 20 5 DDBDHN CN(CCCN1CCN(C)CC1)c1ncc([N+](=O)[O-])cc1F ZINC000413141606 529887833 /nfs/dbraw/zinc/88/78/33/529887833.db2.gz KHHKXLMGWWLSFY-UHFFFAOYSA-N 0 3 311.361 1.203 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2ccco2)cc1 ZINC000563882170 303979684 /nfs/dbraw/zinc/97/96/84/303979684.db2.gz ZDDGOPFNVPXZKM-UHFFFAOYSA-N 0 3 324.358 1.794 20 5 DDBDHN CN(C)CC(C)(C)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000457209643 232014557 /nfs/dbraw/zinc/01/45/57/232014557.db2.gz OONZWPRDKKLPQT-UHFFFAOYSA-N 0 3 308.382 1.853 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H]1CC[C@@H](O)C1)OCCO2 ZINC000616094545 362544995 /nfs/dbraw/zinc/54/49/95/362544995.db2.gz BWNUZOMQSAATPO-CMPLNLGQSA-N 0 3 308.334 1.617 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCN1C ZINC000330889568 232140559 /nfs/dbraw/zinc/14/05/59/232140559.db2.gz BMNRAYCQQARCQI-GHMZBOCLSA-N 0 3 309.370 1.125 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000330895786 232143161 /nfs/dbraw/zinc/14/31/61/232143161.db2.gz GJWAYHMYYYVHRG-NWDGAFQWSA-N 0 3 307.350 1.573 20 5 DDBDHN Cc1nn(CCC(=O)N[C@H]2CCN(C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000330889532 232139813 /nfs/dbraw/zinc/13/98/13/232139813.db2.gz BJXQGIRQTPTWCZ-GWCFXTLKSA-N 0 3 323.397 1.397 20 5 DDBDHN C[C@H]1NCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000262880915 186318412 /nfs/dbraw/zinc/31/84/12/186318412.db2.gz VXKFNTHHPTUOST-ZJUUUORDSA-N 0 3 311.769 2.000 20 5 DDBDHN C[C@H]1NCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000262885731 186318898 /nfs/dbraw/zinc/31/88/98/186318898.db2.gz WLDMWPAYTZXIRS-VXGBXAGGSA-N 0 3 307.350 1.573 20 5 DDBDHN C[C@H]1CCCN(CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000047145556 352484016 /nfs/dbraw/zinc/48/40/16/352484016.db2.gz LLENYMKGDNZZHQ-NSHDSACASA-N 0 3 306.366 1.639 20 5 DDBDHN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@H]1CCN(C2CC2)C1 ZINC000491236701 234111760 /nfs/dbraw/zinc/11/17/60/234111760.db2.gz LFLATDWQKVCQAT-IRBQFCFKSA-N 0 3 301.346 1.961 20 5 DDBDHN CCN1CCN([C@@H](C)CNc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078630665 353526285 /nfs/dbraw/zinc/52/62/85/353526285.db2.gz JLWQZJYKHWNDOR-ZDUSSCGKSA-N 0 3 307.398 1.736 20 5 DDBDHN O=[N+]([O-])c1cccc(OCCN2CCC(c3nnc[nH]3)CC2)c1 ZINC000083444804 353710055 /nfs/dbraw/zinc/71/00/55/353710055.db2.gz OTQDKALIYVNGJR-UHFFFAOYSA-N 0 3 317.349 1.971 20 5 DDBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346192524 283017409 /nfs/dbraw/zinc/01/74/09/283017409.db2.gz NLMHDWPAINVCFG-GARJFASQSA-N 0 3 307.354 1.120 20 5 DDBDHN CCN1C[C@H](C)N(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@@H]1C ZINC000588009277 354893372 /nfs/dbraw/zinc/89/33/72/354893372.db2.gz DSMJUAXWGLCCQJ-QWRGUYRKSA-N 0 3 308.382 1.588 20 5 DDBDHN O=[N+]([O-])c1cncc(Cl)c1NC[C@@H](O)CN1CCCCC1 ZINC000590573387 355117763 /nfs/dbraw/zinc/11/77/63/355117763.db2.gz YEJRSBDTYISLPG-SNVBAGLBSA-N 0 3 314.773 1.324 20 5 DDBDHN CCc1ccc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000590776517 355176320 /nfs/dbraw/zinc/17/63/20/355176320.db2.gz INXICYCJDJFKRV-DZGCQCFKSA-N 0 3 303.362 1.933 20 5 DDBDHN CN(C)C1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000591357445 355299058 /nfs/dbraw/zinc/29/90/58/355299058.db2.gz PFAGHLARGVXPLV-UHFFFAOYSA-N 0 3 307.350 1.550 20 5 DDBDHN Cc1c(CC(=O)N2CCN[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000592243009 355546134 /nfs/dbraw/zinc/54/61/34/355546134.db2.gz YMCVSVYGWJRARO-CQSZACIVSA-N 0 3 305.378 1.902 20 5 DDBDHN Cc1ccc([C@H](C)NC(=O)COC2(C)CNC2)cc1[N+](=O)[O-] ZINC000592542245 355622568 /nfs/dbraw/zinc/62/25/68/355622568.db2.gz SUTFQQAYBUUCQR-NSHDSACASA-N 0 3 307.350 1.459 20 5 DDBDHN COC[C@@H]1C[C@@H](O)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000593060994 355783806 /nfs/dbraw/zinc/78/38/06/355783806.db2.gz MMBVZCKYSCOZFC-UONOGXRCSA-N 0 3 310.350 1.445 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593519672 355912101 /nfs/dbraw/zinc/91/21/01/355912101.db2.gz AOBQPXFRMSGWTM-HZMBPMFUSA-N 0 3 321.352 1.875 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594094116 356111130 /nfs/dbraw/zinc/11/11/30/356111130.db2.gz HCCSTJJEKKQJJL-QWHCGFSZSA-N 0 3 320.349 1.186 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](CO)[C@@H]1CCOC1 ZINC000595055152 356377453 /nfs/dbraw/zinc/37/74/53/356377453.db2.gz UCFYIRKTLJWLEM-YNEHKIRRSA-N 0 3 324.377 1.899 20 5 DDBDHN C[NH2+]C[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000595122024 356385927 /nfs/dbraw/zinc/38/59/27/356385927.db2.gz PMQGVPAQNVPEPZ-SNVBAGLBSA-N 0 3 301.368 1.098 20 5 DDBDHN Cc1c(CN)c(NC(=O)Cc2cccc([N+](=O)[O-])c2C)nn1C ZINC000595960545 356724624 /nfs/dbraw/zinc/72/46/24/356724624.db2.gz WDOBAOJITMAKAR-UHFFFAOYSA-N 0 3 317.349 1.585 20 5 DDBDHN Nc1ccc(N2CCN(c3ccncc3)CC2)nc1[N+](=O)[O-] ZINC000596064423 356758615 /nfs/dbraw/zinc/75/86/15/356758615.db2.gz VPYURMJOTYWHTQ-UHFFFAOYSA-N 0 3 300.322 1.294 20 5 DDBDHN COC(=O)[C@@H]1OCC[C@@H]1N[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000597188648 357088153 /nfs/dbraw/zinc/08/81/53/357088153.db2.gz XTZAERAYLBQSAN-CORIIIEPSA-N 0 3 322.361 1.836 20 5 DDBDHN CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000597947446 357396300 /nfs/dbraw/zinc/39/63/00/357396300.db2.gz YKUZYVZJNKPYNH-LBPRGKRZSA-N 0 3 307.350 1.770 20 5 DDBDHN CCN(CCNc1nccc(C(=O)OC)c1[N+](=O)[O-])C1CC1 ZINC000598593402 357645624 /nfs/dbraw/zinc/64/56/24/357645624.db2.gz SKOVFUFRUIOAJL-UHFFFAOYSA-N 0 3 308.338 1.673 20 5 DDBDHN CN(C)CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000598957067 357775687 /nfs/dbraw/zinc/77/56/87/357775687.db2.gz HIGCWDPHROYJAX-UHFFFAOYSA-N 0 3 316.155 1.649 20 5 DDBDHN CN(C)CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832624 358067919 /nfs/dbraw/zinc/06/79/19/358067919.db2.gz GRFOCHCSIXWWFL-UHFFFAOYSA-N 0 3 303.322 1.826 20 5 DDBDHN Cc1c([C@@H](C)NCCNC(=O)c2ccn[nH]2)cccc1[N+](=O)[O-] ZINC000180218442 199132346 /nfs/dbraw/zinc/13/23/46/199132346.db2.gz CEVNMJVPPGHLCE-LLVKDONJSA-N 0 3 317.349 1.707 20 5 DDBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2COCCN2)c1 ZINC000600677246 358280243 /nfs/dbraw/zinc/28/02/43/358280243.db2.gz CWZAPKYVJPKINT-JTQLQIEISA-N 0 3 317.292 1.274 20 5 DDBDHN C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000237406166 202257021 /nfs/dbraw/zinc/25/70/21/202257021.db2.gz GJQPYLVMNOGMGN-OLZOCXBDSA-N 0 3 320.393 1.996 20 5 DDBDHN CCO[C@@H]1C[C@@H](NCCn2cc([N+](=O)[O-])cn2)[C@]12CCCO2 ZINC000602568694 359048404 /nfs/dbraw/zinc/04/84/04/359048404.db2.gz KLMJOYZLDQFGLK-MGPQQGTHSA-N 0 3 310.354 1.108 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000602830994 359223847 /nfs/dbraw/zinc/22/38/47/359223847.db2.gz NOKFLHJRYWRKCS-QWRGUYRKSA-N 0 3 324.303 1.637 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000602904258 359284484 /nfs/dbraw/zinc/28/44/84/359284484.db2.gz VRUXAUOCZMLZIR-CYBMUJFWSA-N 0 3 323.397 1.336 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000602961511 359323944 /nfs/dbraw/zinc/32/39/44/359323944.db2.gz UUKSYINBAUEHPO-OAHLLOKOSA-N 0 3 319.365 1.280 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN(CCCO)C2CC2)c1 ZINC000609848230 360356693 /nfs/dbraw/zinc/35/66/93/360356693.db2.gz MPJGUSOVMNTSKN-AWEZNQCLSA-N 0 3 310.350 1.181 20 5 DDBDHN O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H](N4CC=CC4)C3)c2c1 ZINC000611708864 360801202 /nfs/dbraw/zinc/80/12/02/360801202.db2.gz ROZKMRBWJNAJIK-CYBMUJFWSA-N 0 3 311.345 1.989 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CC[NH2+]C2)c1 ZINC000193239415 201010999 /nfs/dbraw/zinc/01/09/99/201010999.db2.gz SDTKIQAEGJHFGJ-QMMMGPOBSA-N 0 3 319.770 1.197 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1C[NH2+]CC[C@H]1C ZINC000193403662 201046832 /nfs/dbraw/zinc/04/68/32/201046832.db2.gz DXANEFXUYJDBAD-KOLCDFICSA-N 0 3 313.379 1.180 20 5 DDBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000618923074 363802629 /nfs/dbraw/zinc/80/26/29/363802629.db2.gz CMRLZEBBKDLZMJ-CYBMUJFWSA-N 0 3 313.379 1.185 20 5 DDBDHN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000275146977 212150240 /nfs/dbraw/zinc/15/02/40/212150240.db2.gz FWMSQWSHANNJJM-GXFFZTMASA-N 0 3 306.322 1.408 20 5 DDBDHN C[C@H]1NCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000262724529 203392795 /nfs/dbraw/zinc/39/27/95/203392795.db2.gz GSSVGOCMRBYTDN-GHMZBOCLSA-N 0 3 318.377 1.992 20 5 DDBDHN CCCc1n[nH]c(C(=O)NCCN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000264678559 204072630 /nfs/dbraw/zinc/07/26/30/204072630.db2.gz OKJXOTBZDVVKLB-UHFFFAOYSA-N 0 3 323.397 1.732 20 5 DDBDHN CN(C(=O)CN[C@H]1CCC[C@@]1(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000351520806 284359477 /nfs/dbraw/zinc/35/94/77/284359477.db2.gz YLIBFNZHBSDXDG-HOCLYGCPSA-N 0 3 321.377 1.698 20 5 DDBDHN COC(=O)CC[C@@H](N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000288495811 220180132 /nfs/dbraw/zinc/18/01/32/220180132.db2.gz AWXQXYZWSGVNLM-JOYOIKCWSA-N 0 3 309.322 1.053 20 5 DDBDHN COC(=O)CC[C@H](N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000288495815 220180425 /nfs/dbraw/zinc/18/04/25/220180425.db2.gz AWXQXYZWSGVNLM-SKDRFNHKSA-N 0 3 309.322 1.053 20 5 DDBDHN C[C@@H](CCC[NH3+])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000336840756 249248049 /nfs/dbraw/zinc/24/80/49/249248049.db2.gz QPYNJWNARNPAMU-QMMMGPOBSA-N 0 3 321.786 1.654 20 5 DDBDHN Cc1cc(NC[C@@H]2COCCO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000336860668 249269183 /nfs/dbraw/zinc/26/91/83/249269183.db2.gz UBDYBYQKASALJI-GFCCVEGCSA-N 0 3 303.318 1.701 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCN(C)C)CC(C)C ZINC000340533954 251101105 /nfs/dbraw/zinc/10/11/05/251101105.db2.gz YAIGZLYGIHGJEB-UHFFFAOYSA-N 0 3 311.386 1.146 20 5 DDBDHN CC(C)[C@@H](CNCc1ccccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000064620233 184301597 /nfs/dbraw/zinc/30/15/97/184301597.db2.gz SRZUMVHOKHAVCH-QGZVFWFLSA-N 0 3 320.437 1.956 20 5 DDBDHN O=C(C[C@@H]1CNCCO1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269253258 207391790 /nfs/dbraw/zinc/39/17/90/207391790.db2.gz UVOYSYQQIVFBOP-LLVKDONJSA-N 0 3 313.741 1.243 20 5 DDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000286486056 219014189 /nfs/dbraw/zinc/01/41/89/219014189.db2.gz XAPCLNQTMAYVIB-CMPLNLGQSA-N 0 3 319.365 1.152 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000415508109 533139780 /nfs/dbraw/zinc/13/97/80/533139780.db2.gz ULQKNQRRQJYYGU-UWVGGRQHSA-N 0 3 308.338 1.818 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000415508108 533140222 /nfs/dbraw/zinc/14/02/22/533140222.db2.gz ULQKNQRRQJYYGU-NXEZZACHSA-N 0 3 308.338 1.818 20 5 DDBDHN CC(C)(C)CNC(=O)C(C)(C)NCCn1cc([N+](=O)[O-])cn1 ZINC000155353866 197046971 /nfs/dbraw/zinc/04/69/71/197046971.db2.gz KCELGYNZMBCBLG-UHFFFAOYSA-N 0 3 311.386 1.322 20 5 DDBDHN Cc1c(CS(=O)(=O)C(C)C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000048717075 407105633 /nfs/dbraw/zinc/10/56/33/407105633.db2.gz MBFLWSKMZWGVTP-JTQLQIEISA-N 0 3 314.363 1.295 20 5 DDBDHN CCC(CC)(C[NH3+])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000111832289 407417309 /nfs/dbraw/zinc/41/73/09/407417309.db2.gz VOLXNRPZSQXNSY-UHFFFAOYSA-N 0 3 301.368 1.391 20 5 DDBDHN O=[N+]([O-])c1cc(CN2CCN(C[C@@H]3CCOC3)CC2)cs1 ZINC000178494912 407472385 /nfs/dbraw/zinc/47/23/85/407472385.db2.gz MJJIXVXEPSIWNF-LBPRGKRZSA-N 0 3 311.407 1.810 20 5 DDBDHN CCN(Cc1ccncc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270998746 407460172 /nfs/dbraw/zinc/46/01/72/407460172.db2.gz JWLTXNHXNIQTSG-AWEZNQCLSA-N 0 3 305.338 1.069 20 5 DDBDHN C[C@]1(CCCO)CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000271173368 407553420 /nfs/dbraw/zinc/55/34/20/407553420.db2.gz DUZLUPTXNLJIGG-MRXNPFEDSA-N 0 3 321.377 1.821 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN2CCC[C@@H]2C1 ZINC000178623873 407518056 /nfs/dbraw/zinc/51/80/56/407518056.db2.gz ANFSWBMDTWCALO-CQSZACIVSA-N 0 3 318.377 1.622 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@H](C)CN2CCCCCC2)c1[N+](=O)[O-] ZINC000186330972 407641589 /nfs/dbraw/zinc/64/15/89/407641589.db2.gz HFPQVGFDTBPDHP-LLVKDONJSA-N 0 3 323.397 1.875 20 5 DDBDHN COC[C@@H](O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000117946355 407872691 /nfs/dbraw/zinc/87/26/91/407872691.db2.gz YFJMKSXDCYDUOY-ZDUSSCGKSA-N 0 3 306.318 1.952 20 5 DDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(C2CC2)CC1 ZINC000272410333 407906371 /nfs/dbraw/zinc/90/63/71/407906371.db2.gz IVNRDZBTVLZMDD-UHFFFAOYSA-N 0 3 304.350 1.534 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000268216211 407951755 /nfs/dbraw/zinc/95/17/55/407951755.db2.gz PNXGBLYEUFLPCL-BXKDBHETSA-N 0 3 304.350 1.390 20 5 DDBDHN NC(=O)CC1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055903869 161546489 /nfs/dbraw/zinc/54/64/89/161546489.db2.gz WPVZAXNIMSZIQP-UHFFFAOYSA-N 0 3 321.377 1.951 20 5 DDBDHN CN(C)CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000154219153 407995846 /nfs/dbraw/zinc/99/58/46/407995846.db2.gz UWQVAFZKKOWHJO-UHFFFAOYSA-N 0 3 303.322 1.072 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCN2CCC(C)CC2)c1 ZINC000154238506 407998786 /nfs/dbraw/zinc/99/87/86/407998786.db2.gz ZJRQSFFNZHCHKG-UHFFFAOYSA-N 0 3 323.349 1.275 20 5 DDBDHN C[C@@H]1CCC[C@@H](CO)N1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182220800 408098190 /nfs/dbraw/zinc/09/81/90/408098190.db2.gz DQGXXAUHODJIDV-RDBSUJKOSA-N 0 3 324.377 1.570 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000148554888 162134701 /nfs/dbraw/zinc/13/47/01/162134701.db2.gz WIODLFDGQKXGAM-GHMZBOCLSA-N 0 3 312.757 1.918 20 5 DDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCN(C2CC2)CC1 ZINC000173337350 162333824 /nfs/dbraw/zinc/33/38/24/162333824.db2.gz HDTBCMQPBLHPFC-UHFFFAOYSA-N 0 3 303.362 1.834 20 5 DDBDHN Cc1[nH]nc(C(=O)N(CCN(C)C)c2ccccc2)c1[N+](=O)[O-] ZINC000264207113 408401540 /nfs/dbraw/zinc/40/15/40/408401540.db2.gz QYAQTJBCPZCWEY-UHFFFAOYSA-N 0 3 317.349 1.835 20 5 DDBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCN1C1CCCC1 ZINC000269743849 408414190 /nfs/dbraw/zinc/41/41/90/408414190.db2.gz XXPVOWQDCPYLDH-AWEZNQCLSA-N 0 3 321.381 1.315 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)n1 ZINC000191783820 408491251 /nfs/dbraw/zinc/49/12/51/408491251.db2.gz KHRLFCIDMYATHE-NWDGAFQWSA-N 0 3 323.397 1.661 20 5 DDBDHN O=C(NCC1CCN(CCO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000160560235 408498316 /nfs/dbraw/zinc/49/83/16/408498316.db2.gz JCUJYAKAFKQBLV-UHFFFAOYSA-N 0 3 307.350 1.029 20 5 DDBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)CCN1C ZINC000176868388 408462469 /nfs/dbraw/zinc/46/24/69/408462469.db2.gz NKLJEFKFQBVKBO-MNOVXSKESA-N 0 3 306.366 1.732 20 5 DDBDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000248683818 408616536 /nfs/dbraw/zinc/61/65/36/408616536.db2.gz XXCHNHFZLGYWLR-NEPJUHHUSA-N 0 3 321.381 1.510 20 5 DDBDHN CCN(CCO)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000184610803 408655757 /nfs/dbraw/zinc/65/57/57/408655757.db2.gz JBPMTJZFJXQGHB-UHFFFAOYSA-N 0 3 310.354 1.339 20 5 DDBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@H]1N(C)C ZINC000270923765 408743862 /nfs/dbraw/zinc/74/38/62/408743862.db2.gz BEKZGSDZRVWLIK-MNOVXSKESA-N 0 3 323.378 1.613 20 5 DDBDHN COc1ccc(OCCN(C)C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000292251369 409009977 /nfs/dbraw/zinc/00/99/77/409009977.db2.gz XSEYDZDJXBDWEJ-UHFFFAOYSA-N 0 3 310.350 1.829 20 5 DDBDHN CN(C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000279344647 409196035 /nfs/dbraw/zinc/19/60/35/409196035.db2.gz DWEYSZJJYMXQSB-VIFPVBQESA-N 0 3 310.329 1.482 20 5 DDBDHN COC(=O)c1cc(C)nc(N2CCC[C@@H]2CN(C)C)c1[N+](=O)[O-] ZINC000283421076 409153780 /nfs/dbraw/zinc/15/37/80/409153780.db2.gz ATFPGVNZYMJZTB-LLVKDONJSA-N 0 3 322.365 1.615 20 5 DDBDHN Nc1ccc(N2CCN(C[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000283436302 409156320 /nfs/dbraw/zinc/15/63/20/409156320.db2.gz CASMBRXZXPVNDB-GFCCVEGCSA-N 0 3 306.366 1.336 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2C)c1 ZINC000283933095 409242605 /nfs/dbraw/zinc/24/26/05/409242605.db2.gz KNRYOXBMLCGTRP-NSHDSACASA-N 0 3 307.350 1.818 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000284269191 409307485 /nfs/dbraw/zinc/30/74/85/409307485.db2.gz GUUBLVWFPPMXQL-UONOGXRCSA-N 0 3 307.394 1.790 20 5 DDBDHN Cc1cc(OCC(=O)NC[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000280470162 409317241 /nfs/dbraw/zinc/31/72/41/409317241.db2.gz GKMZEDMYQVVGQO-GFCCVEGCSA-N 0 3 307.350 1.492 20 5 DDBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCC[C@H](N2CCCC2)C1 ZINC000285382667 409420511 /nfs/dbraw/zinc/42/05/11/409420511.db2.gz GSSPQWYNKCSSCU-NSHDSACASA-N 0 3 307.354 1.408 20 5 DDBDHN COC(=O)c1cc(OC[C@@H](O)CN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000290750589 409507756 /nfs/dbraw/zinc/50/77/56/409507756.db2.gz ISCFUJJJPHANIL-NSHDSACASA-N 0 3 324.333 1.215 20 5 DDBDHN Cc1nccn1CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000342604848 409758538 /nfs/dbraw/zinc/75/85/38/409758538.db2.gz FXKTZMKAVIHLED-CYBMUJFWSA-N 0 3 316.365 1.681 20 5 DDBDHN C[C@H](N[C@@H]1CCCN(C)[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000342729205 409854490 /nfs/dbraw/zinc/85/44/90/409854490.db2.gz JPLSBIDUYWLTRU-RWMBFGLXSA-N 0 3 320.393 1.994 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CCN1C ZINC000357425037 410032579 /nfs/dbraw/zinc/03/25/79/410032579.db2.gz RNABGSZGIMXGOO-QWHCGFSZSA-N 0 3 321.377 1.963 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCCN1CCN(C)CC1 ZINC000359414120 410649066 /nfs/dbraw/zinc/64/90/66/410649066.db2.gz GKAHNHFIIYAPAP-UHFFFAOYSA-N 0 3 310.402 1.169 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)c1 ZINC000343829903 410731739 /nfs/dbraw/zinc/73/17/39/410731739.db2.gz NHUCSGXQWPTVRC-HZMBPMFUSA-N 0 3 319.361 1.816 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](OCCN(C)C)C1 ZINC000359586545 410753446 /nfs/dbraw/zinc/75/34/46/410753446.db2.gz JZZIHPYSNMEOTE-GFCCVEGCSA-N 0 3 311.386 1.277 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)n1 ZINC000356253895 410924605 /nfs/dbraw/zinc/92/46/05/410924605.db2.gz NKZSBITVCYXNFV-HNNXBMFYSA-N 0 3 321.381 1.369 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344068253 410934773 /nfs/dbraw/zinc/93/47/73/410934773.db2.gz QIRRRIFZUGCELZ-SFDCQRBFSA-N 0 3 322.361 1.037 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C1CC(O)C1 ZINC000353500889 411035579 /nfs/dbraw/zinc/03/55/79/411035579.db2.gz YFZZDNRSPNRTRE-UHFFFAOYSA-N 0 3 323.349 1.387 20 5 DDBDHN [NH3+][C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000133162712 196316854 /nfs/dbraw/zinc/31/68/54/196316854.db2.gz OEJXAFLARFWGNK-SECBINFHSA-N 0 3 319.770 1.264 20 5 DDBDHN CN1CC[C@](O)(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000358062408 299062197 /nfs/dbraw/zinc/06/21/97/299062197.db2.gz HTVXAXXVGZNKIE-ZDUSSCGKSA-N 0 3 313.741 1.045 20 5 DDBDHN C[C@H]1CN(c2ncccc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000374257142 418510781 /nfs/dbraw/zinc/51/07/81/418510781.db2.gz XZRGWZJBRIWOKU-ZDUSSCGKSA-N 0 3 319.409 1.595 20 5 DDBDHN CCO[C@@H]1C[C@H](NCc2c([N+](=O)[O-])ncn2C)C12CCOCC2 ZINC000367566891 418610711 /nfs/dbraw/zinc/61/07/11/418610711.db2.gz SYVJPBYBMCAYBT-QWHCGFSZSA-N 0 3 324.381 1.392 20 5 DDBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000361293310 418619433 /nfs/dbraw/zinc/61/94/33/418619433.db2.gz WNBCFRFCADELGR-SMDDNHRTSA-N 0 3 304.350 1.546 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CCCC3)C2)n1 ZINC000391412675 418757670 /nfs/dbraw/zinc/75/76/70/418757670.db2.gz WBCIKZFXCPQLCN-LLVKDONJSA-N 0 3 320.349 1.451 20 5 DDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000364468283 418778446 /nfs/dbraw/zinc/77/84/46/418778446.db2.gz ZOLKBZIFPFNPDL-ZIAGYGMSSA-N 0 3 305.334 1.188 20 5 DDBDHN CC(C)N(CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000412093750 419651058 /nfs/dbraw/zinc/65/10/58/419651058.db2.gz WPIXOVYHDZAWFK-ZDUSSCGKSA-N 0 3 321.377 1.963 20 5 DDBDHN CCC[C@H](NC[C@H]1CNCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423488441 420059418 /nfs/dbraw/zinc/05/94/18/420059418.db2.gz YYRCHESTAFPLAW-CVEARBPZSA-N 0 3 306.410 1.929 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCNCC1 ZINC000415649343 420135299 /nfs/dbraw/zinc/13/52/99/420135299.db2.gz DGWHQAHZKJVBDO-UHFFFAOYSA-N 0 3 308.338 1.821 20 5 DDBDHN C[C@@H]1CC[NH2+]C[C@H]1[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420238990 420164160 /nfs/dbraw/zinc/16/41/60/420164160.db2.gz LKNZMNSNYDQAEA-BXKDBHETSA-N 0 3 303.322 2.055 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN[C@@H](C)C1 ZINC000420343487 420223256 /nfs/dbraw/zinc/22/32/56/420223256.db2.gz ZKCNGBBHTDJSOM-WDEREUQCSA-N 0 3 322.365 1.224 20 5 DDBDHN CN(C)C1(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000416306011 420321099 /nfs/dbraw/zinc/32/10/99/420321099.db2.gz DWBSOCAAQKYMDY-UHFFFAOYSA-N 0 3 302.334 1.900 20 5 DDBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420635551 420337079 /nfs/dbraw/zinc/33/70/79/420337079.db2.gz ZLDIJIYXCHTNNG-RYUDHWBXSA-N 0 3 318.377 1.757 20 5 DDBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCCNCC1 ZINC000417732226 420462747 /nfs/dbraw/zinc/46/27/47/420462747.db2.gz SONCKIZVYCREPT-UHFFFAOYSA-N 0 3 320.393 1.922 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)CSc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000453023684 420702716 /nfs/dbraw/zinc/70/27/16/420702716.db2.gz DKCMXPLENMHPKS-YPMHNXCESA-N 0 3 321.402 1.849 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC[C@](C)(O)COC ZINC000449384442 421003452 /nfs/dbraw/zinc/00/34/52/421003452.db2.gz NNXKDBIAJOOQSD-HNNXBMFYSA-N 0 3 312.366 1.871 20 5 DDBDHN CCCCNC(=O)CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489030306 421132547 /nfs/dbraw/zinc/13/25/47/421132547.db2.gz XJPNOGPAALEZQF-UHFFFAOYSA-N 0 3 323.397 1.735 20 5 DDBDHN CNc1nc(C(=O)N[C@H]2CCCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456017553 421090056 /nfs/dbraw/zinc/09/00/56/421090056.db2.gz ZBKHHBNCDGUFIE-ZJUUUORDSA-N 0 3 307.354 1.244 20 5 DDBDHN COC(=O)Cc1ccc(N[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000450279458 421176375 /nfs/dbraw/zinc/17/63/75/421176375.db2.gz VHGUUFITBFQCBR-LBPRGKRZSA-N 0 3 319.361 1.959 20 5 DDBDHN CC(COC(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000496814241 421322020 /nfs/dbraw/zinc/32/20/20/421322020.db2.gz ANGJKBMQUWLWDG-HZMBPMFUSA-N 0 3 316.354 1.842 20 5 DDBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548386069 421431766 /nfs/dbraw/zinc/43/17/66/421431766.db2.gz YGYPHONTTFSNJH-WDEREUQCSA-N 0 3 321.381 1.422 20 5 DDBDHN Cc1ccc(C(=O)NC[C@]2(O)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000552208562 421579044 /nfs/dbraw/zinc/57/90/44/421579044.db2.gz RVNUTAAKSUREGH-INIZCTEOSA-N 0 3 319.361 1.090 20 5 DDBDHN CNc1nccc(C(=O)NC[C@H](CC(C)C)N(C)C)c1[N+](=O)[O-] ZINC000572176850 421767331 /nfs/dbraw/zinc/76/73/31/421767331.db2.gz KQDUYFQZROMCSX-NSHDSACASA-N 0 3 323.397 1.738 20 5 DDBDHN Cc1cncc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000582057708 422098309 /nfs/dbraw/zinc/09/83/09/422098309.db2.gz BFOOXURVAVGTFS-HNNXBMFYSA-N 0 3 317.345 1.828 20 5 DDBDHN C[C@H](N[C@@H]1CCCN(C)[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000342729208 271492517 /nfs/dbraw/zinc/49/25/17/271492517.db2.gz JPLSBIDUYWLTRU-YNEHKIRRSA-N 0 3 320.393 1.994 20 5 DDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC(=O)N1CCOCC1 ZINC000344833983 272126380 /nfs/dbraw/zinc/12/63/80/272126380.db2.gz PHUPBKQQEGGKBA-UKTHLTGXSA-N 0 3 319.361 1.447 20 5 DDBDHN C[C@@H](CO)N1CCCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000345004406 272154788 /nfs/dbraw/zinc/15/47/88/272154788.db2.gz ANZCOJNAMTWKAZ-JTQLQIEISA-N 0 3 312.345 1.209 20 5 DDBDHN C[C@H](N[C@@H](C)[C@@H]1CCOC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000266268660 274518244 /nfs/dbraw/zinc/51/82/44/274518244.db2.gz AZILPVGSHVAWJW-SDDRHHMPSA-N 0 3 307.350 1.936 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1Cc2cccc(O)c2C1 ZINC000429301272 275044072 /nfs/dbraw/zinc/04/40/72/275044072.db2.gz LCWMGCPXQMTJFJ-GFCCVEGCSA-N 0 3 315.329 1.219 20 5 DDBDHN CCOC[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000459711059 276330564 /nfs/dbraw/zinc/33/05/64/276330564.db2.gz LVONBXMSGVPNAT-AWEZNQCLSA-N 0 3 309.366 1.648 20 5 DDBDHN CN1CC[C@@]2(CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C2)C1 ZINC000488767897 277161102 /nfs/dbraw/zinc/16/11/02/277161102.db2.gz LJRPKPDSVWXJPK-OAHLLOKOSA-N 0 3 304.350 1.226 20 5 DDBDHN C[C@@H](CN1CCCCCC1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000357030596 278255091 /nfs/dbraw/zinc/25/50/91/278255091.db2.gz BCNAEDUJOPJPFM-NSHDSACASA-N 0 3 309.370 1.323 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000122605134 281158942 /nfs/dbraw/zinc/15/89/42/281158942.db2.gz OUCRHFDGFCBMEJ-HNNXBMFYSA-N 0 3 318.377 1.757 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000125286492 281205806 /nfs/dbraw/zinc/20/58/06/281205806.db2.gz LJSJMAZWIYLTEW-CYBMUJFWSA-N 0 3 318.377 1.757 20 5 DDBDHN COCCO[C@@H]1COCC[C@H]1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000362508950 300081581 /nfs/dbraw/zinc/08/15/81/300081581.db2.gz ZQEHAFUPHCCDMX-GDBMZVCRSA-N 0 3 324.377 1.813 20 5 DDBDHN CN1CCC[C@@H](N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000362940575 300183787 /nfs/dbraw/zinc/18/37/87/300183787.db2.gz GMQFHPVMTOFILI-QGZVFWFLSA-N 0 3 318.421 1.807 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000368590253 301060200 /nfs/dbraw/zinc/06/02/00/301060200.db2.gz KJKJCAFWGXTFHR-QMTHXVAHSA-N 0 3 307.325 1.900 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000368590251 301060283 /nfs/dbraw/zinc/06/02/83/301060283.db2.gz KJKJCAFWGXTFHR-HZMBPMFUSA-N 0 3 307.325 1.900 20 5 DDBDHN CC[C@@H]1CN2CCCC[C@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000375869458 302007716 /nfs/dbraw/zinc/00/77/16/302007716.db2.gz AGBULJABLODGJF-OLZOCXBDSA-N 0 3 307.398 1.777 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000278815970 302039195 /nfs/dbraw/zinc/03/91/95/302039195.db2.gz UDINCEYFXYPBOU-ZDUSSCGKSA-N 0 3 321.377 1.480 20 5 DDBDHN COC(C)(C)CN(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000531829408 303259919 /nfs/dbraw/zinc/25/99/19/303259919.db2.gz HIDDBKIFLGPWJN-ZDUSSCGKSA-N 0 3 312.366 1.691 20 5 DDBDHN CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000363593315 307032279 /nfs/dbraw/zinc/03/22/79/307032279.db2.gz XYTZNWXWUQWIMD-KBPBESRZSA-N 0 3 321.381 1.267 20 5 DDBDHN Cc1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000364060011 307040783 /nfs/dbraw/zinc/04/07/83/307040783.db2.gz JYAQKKUFFJESKE-KGLIPLIRSA-N 0 3 319.361 1.496 20 5 DDBDHN C[C@@H]1CN(CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCO1 ZINC000367255499 307090006 /nfs/dbraw/zinc/09/00/06/307090006.db2.gz XUOWVYTWYFJSNA-CYBMUJFWSA-N 0 3 323.397 1.149 20 5 DDBDHN CN1CC[C@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@H]21 ZINC000375047436 307217980 /nfs/dbraw/zinc/21/79/80/307217980.db2.gz DDQQTRDWIAFFNO-WDEREUQCSA-N 0 3 302.338 1.168 20 5 DDBDHN O=C(CN[C@@H]1CCO[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000375440606 307226722 /nfs/dbraw/zinc/22/67/22/307226722.db2.gz YCTPYWFENONTTA-DOMZBBRYSA-N 0 3 305.334 1.690 20 5 DDBDHN N=C(NO)[C@@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000376079644 307237693 /nfs/dbraw/zinc/23/76/93/307237693.db2.gz GGYIKWWGQXMOBS-QWHCGFSZSA-N 0 3 308.338 1.439 20 5 DDBDHN CC[C@@H](C)[C@H](N)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000518188552 307441320 /nfs/dbraw/zinc/44/13/20/307441320.db2.gz WYRKRYHMQOOBTR-MFKMUULPSA-N 0 3 309.370 1.328 20 5 DDBDHN C[C@@H](F)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000566121363 308044407 /nfs/dbraw/zinc/04/44/07/308044407.db2.gz FAZNSTNKRCBJLA-SNVBAGLBSA-N 0 3 304.343 1.706 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccc(O)cc1 ZINC000576339702 308307459 /nfs/dbraw/zinc/30/74/59/308307459.db2.gz WLEBYKNJAOIODE-CQSZACIVSA-N 0 3 318.329 1.830 20 5 DDBDHN CC[C@@H](O)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576876726 308346279 /nfs/dbraw/zinc/34/62/79/308346279.db2.gz VKICSLVAZWHMLT-GFCCVEGCSA-N 0 3 316.379 1.119 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](c3cccnc3)C2)c1 ZINC000582724548 337125606 /nfs/dbraw/zinc/12/56/06/337125606.db2.gz ZVZXYFQCZZVFDK-HIFRSBDPSA-N 0 3 317.349 1.037 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCC(=O)N(C)C1=O ZINC000424311799 534253939 /nfs/dbraw/zinc/25/39/39/534253939.db2.gz FTKWPPZEHRPAPT-JQWIXIFHSA-N 0 3 305.334 1.263 20 5 DDBDHN O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CCCN(CCCO)C3)nc2c1 ZINC000295006584 534883611 /nfs/dbraw/zinc/88/36/11/534883611.db2.gz SAZSWNVOVMZRPG-LLVKDONJSA-N 0 3 319.365 1.730 20 5 DDBDHN COc1ccc(CN[C@@H](C)[C@H](CO)SC)cc1[N+](=O)[O-] ZINC000152490130 536896507 /nfs/dbraw/zinc/89/65/07/536896507.db2.gz FMZUKHWXHQVROQ-ZANVPECISA-N 0 3 300.380 1.805 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCC1(O)CCOCC1 ZINC000162625558 697329644 /nfs/dbraw/zinc/32/96/44/697329644.db2.gz KMDPHJQPEXXQJC-UHFFFAOYSA-N 0 3 300.742 1.879 20 5 DDBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCN(CCCCO)CC3)nc2c1 ZINC000774668033 697909373 /nfs/dbraw/zinc/90/93/73/697909373.db2.gz UYJYHBYZRDKLFW-UHFFFAOYSA-N 0 3 319.365 1.366 20 5 DDBDHN O=[N+]([O-])c1ccc(CN[C@@]2(CCO)CCOC2)cc1Cl ZINC000775203766 697971229 /nfs/dbraw/zinc/97/12/29/697971229.db2.gz HRGUFHUEVJXBCX-ZDUSSCGKSA-N 0 3 300.742 1.879 20 5 DDBDHN CN1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000729681861 699484877 /nfs/dbraw/zinc/48/48/77/699484877.db2.gz LIZCFPPYOMBUBT-SNVBAGLBSA-N 0 3 301.293 1.990 20 5 DDBDHN COC(=O)c1cnc(NCCN2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000790773812 699596324 /nfs/dbraw/zinc/59/63/24/699596324.db2.gz ZAYJQKMHSCKZKK-JTQLQIEISA-N 0 3 308.338 1.673 20 5 DDBDHN Cc1cc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(N)n1 ZINC000757993152 700679742 /nfs/dbraw/zinc/67/97/42/700679742.db2.gz CTZQBMNKTQWXSN-JTQLQIEISA-N 0 3 315.337 1.361 20 5 DDBDHN CC(=O)CCc1ccc(OCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102404 702291337 /nfs/dbraw/zinc/29/13/37/702291337.db2.gz QZYQHFMITOHNNN-NSHDSACASA-N 0 3 309.318 1.795 20 5 DDBDHN CC(COC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[N+](=O)[O-] ZINC000813105576 702293132 /nfs/dbraw/zinc/29/31/32/702293132.db2.gz PHDBOBDSOUUOLX-VIFPVBQESA-N 0 3 320.261 1.603 20 5 DDBDHN CC(COC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1)[N+](=O)[O-] ZINC000813111041 702297418 /nfs/dbraw/zinc/29/74/18/702297418.db2.gz AZMJYBCWMWOXLL-DTWKUNHWSA-N 0 3 319.310 1.196 20 5 DDBDHN Cc1nn(C)c(Br)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113328 702298084 /nfs/dbraw/zinc/29/80/84/702298084.db2.gz YLOBMNWGMNISDL-RXMQYKEDSA-N 0 3 306.116 1.313 20 5 DDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000843455382 702885618 /nfs/dbraw/zinc/88/56/18/702885618.db2.gz NOPPKFNIIJHILP-IUCAKERBSA-N 0 3 322.321 1.634 20 5 DDBDHN CC([C@@H](OC(=O)[C@H]1CCNC(=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845874384 703211359 /nfs/dbraw/zinc/21/13/59/703211359.db2.gz HGNBSWMQQBIETA-ISTVAULSSA-N 0 3 324.308 1.601 20 5 DDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1-c1cnn(C)c1 ZINC000851037211 703774879 /nfs/dbraw/zinc/77/48/79/703774879.db2.gz SIVUFDQOUBPHHE-SNVBAGLBSA-N 0 3 306.322 1.650 20 5 DDBDHN CC(C)N1C[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000818996653 704047656 /nfs/dbraw/zinc/04/76/56/704047656.db2.gz VAOOKCPVDMJBRM-OCCSQVGLSA-N 0 3 307.350 1.227 20 5 DDBDHN CN1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CCC1(C)C ZINC000871149253 704230735 /nfs/dbraw/zinc/23/07/35/704230735.db2.gz CTEJAAMOQOLLCC-UHFFFAOYSA-N 0 3 321.377 1.916 20 5 DDBDHN CC(COC(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000860777152 705280155 /nfs/dbraw/zinc/28/01/55/705280155.db2.gz LIVASDCLDZCSPD-GXSJLCMTSA-N 0 3 314.338 1.808 20 5 DDBDHN CO[C@H]1CN(C)[C@@](C)(COC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000861338952 705433228 /nfs/dbraw/zinc/43/32/28/705433228.db2.gz KMKMRHBCANVRCQ-UKRRQHHQSA-N 0 3 308.334 1.861 20 5 DDBDHN CN(CCO)CCN(C)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000825526997 705687571 /nfs/dbraw/zinc/68/75/71/705687571.db2.gz KVCMCOYSMUXBHL-LSDHHAIUSA-N 0 3 321.377 1.081 20 5 DDBDHN CO[C@@H]1COCC[C@H]1N(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880434019 706975158 /nfs/dbraw/zinc/97/51/58/706975158.db2.gz VOMMNTDVPXIFIM-RBSFLKMASA-N 0 3 310.350 1.364 20 5 DDBDHN O=[N+]([O-])c1cccc(OCCN2CCC3(CC2)COCCO3)c1 ZINC000880540818 707010277 /nfs/dbraw/zinc/01/02/77/707010277.db2.gz CVQAQFOXMBQINC-UHFFFAOYSA-N 0 3 322.361 1.855 20 5 DDBDHN Nc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCCN3CCO)c1 ZINC000897221124 708259528 /nfs/dbraw/zinc/25/95/28/708259528.db2.gz HMEGXJYBBURCKT-OLZOCXBDSA-N 0 3 306.366 1.212 20 5 DDBDHN O=[N+]([O-])c1cnc(NCCN2CC[C@@H](O)C2)c2ccccc21 ZINC000884566644 708330816 /nfs/dbraw/zinc/33/08/16/708330816.db2.gz PSBJDDQYGULHIL-LLVKDONJSA-N 0 3 302.334 1.622 20 5 DDBDHN Cc1cc(OCC(=O)N[C@H]2CCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000928438154 713196016 /nfs/dbraw/zinc/19/60/16/713196016.db2.gz SQQVRENQUJVQMG-YPMHNXCESA-N 0 3 307.350 1.491 20 5 DDBDHN C[C@@H](NCCCc1nnnn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903350936 711100588 /nfs/dbraw/zinc/10/05/88/711100588.db2.gz GALXTTDVUHOFPG-SECBINFHSA-N 0 3 308.317 1.541 20 5 DDBDHN CN(CCO)CCN(C)c1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC000894591146 711199034 /nfs/dbraw/zinc/19/90/34/711199034.db2.gz KFDAMNSBHBZBET-UHFFFAOYSA-N 0 3 322.340 1.642 20 5 DDBDHN CCOC(=O)c1ccnc(N[C@H]2CCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000895739040 711591777 /nfs/dbraw/zinc/59/17/77/711591777.db2.gz AMOJNYWTCWUWIP-ONGXEEELSA-N 0 3 308.338 1.671 20 5 DDBDHN COc1c(O)ccc(CN[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1[N+](=O)[O-] ZINC000895746339 711594478 /nfs/dbraw/zinc/59/44/78/711594478.db2.gz WFMXFRMPVZFVEU-AQUXLQGKSA-N 0 3 320.345 1.822 20 5 DDBDHN COc1c([O-])ccc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1[N+](=O)[O-] ZINC000895746339 711594480 /nfs/dbraw/zinc/59/44/80/711594480.db2.gz WFMXFRMPVZFVEU-AQUXLQGKSA-N 0 3 320.345 1.822 20 5 DDBDHN CCc1nn(C)c(NC[C@H]2CCN2C2CCOCC2)c1[N+](=O)[O-] ZINC000896521583 711737627 /nfs/dbraw/zinc/73/76/27/711737627.db2.gz JZBBSBZQMRCDST-GFCCVEGCSA-N 0 3 323.397 1.556 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c1C ZINC000908347225 712748145 /nfs/dbraw/zinc/74/81/45/712748145.db2.gz KRPHHXCWHVBQRK-GXTWGEPZSA-N 0 3 303.362 1.988 20 5 DDBDHN CN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC12CCCCC2 ZINC000908576436 712812495 /nfs/dbraw/zinc/81/24/95/712812495.db2.gz DFHFGUCAYJMCRP-UHFFFAOYSA-N 0 3 321.381 1.268 20 5 DDBDHN CC(C)N1CCC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000929411492 713604901 /nfs/dbraw/zinc/60/49/01/713604901.db2.gz JXVFFXMCIUJKHD-HNNXBMFYSA-N 0 3 320.393 1.996 20 5 DDBDHN CN1CC[C@H]1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000922575758 714092374 /nfs/dbraw/zinc/09/23/74/714092374.db2.gz MVPWKXHOERSNPX-NSHDSACASA-N 0 3 301.293 1.990 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000931609184 714137579 /nfs/dbraw/zinc/13/75/79/714137579.db2.gz DDQFAIYHSHJTTG-NOZJJQNGSA-N 0 3 308.313 1.902 20 5 DDBDHN COC1(OC)CCOC[C@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000931670766 714157174 /nfs/dbraw/zinc/15/71/74/714157174.db2.gz PRTXPYHZDYDKIV-CQSZACIVSA-N 0 3 310.350 1.505 20 5 DDBDHN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934260298 714778287 /nfs/dbraw/zinc/77/82/87/714778287.db2.gz WDBIAULKMYMJLT-HZPDHXFCSA-N 0 3 323.368 1.765 20 5 DDBDHN O=[N+]([O-])c1ncccc1CN1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934275914 714784488 /nfs/dbraw/zinc/78/44/88/714784488.db2.gz RXEXAESRAXJRFJ-UONOGXRCSA-N 0 3 306.366 1.021 20 5 DDBDHN CCCN(C)CC(=O)NC/C=C/CNc1ncccc1[N+](=O)[O-] ZINC001107280111 749725921 /nfs/dbraw/zinc/72/59/21/749725921.db2.gz ICJXQZHILLYJHU-SNAWJCMRSA-N 0 3 321.381 1.416 20 5 DDBDHN CC(C)(C)OC(=O)[C@H](N)C1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169004393 762173725 /nfs/dbraw/zinc/17/37/25/762173725.db2.gz QVSSBOHAVPBVRD-RAIGVLPGSA-N 0 3 313.398 1.033 20 5 DDBDHN COc1cc(N2CCCc3ccc(CN)nc32)cnc1[N+](=O)[O-] ZINC001169590873 762525095 /nfs/dbraw/zinc/52/50/95/762525095.db2.gz PJJICJXESUAALA-UHFFFAOYSA-N 0 3 315.333 1.936 20 5 DDBDHN C[C@H](Nc1ncnc2cc(F)c([N+](=O)[O-])cc21)[C@H]1CNCCO1 ZINC001170563948 768160395 /nfs/dbraw/zinc/16/03/95/768160395.db2.gz OOAPCPYWVQKUPL-ISVAXAHUSA-N 0 3 321.312 1.466 20 5 DDBDHN C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@H]1CNCCO1 ZINC001170570928 768192410 /nfs/dbraw/zinc/19/24/10/768192410.db2.gz OLUSDMDTPCGNAC-VXNVDRBHSA-N 0 3 309.351 1.388 20 5 DDBDHN COc1ccc(C[C@@H](C)NCC(=O)N2CCCC2)c([N+](=O)[O-])c1 ZINC001170297926 766227592 /nfs/dbraw/zinc/22/75/92/766227592.db2.gz VXNBQYAVUSWYLZ-GFCCVEGCSA-N 0 3 321.377 1.746 20 5 DDBDHN CC(F)(F)CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001133446613 769828495 /nfs/dbraw/zinc/82/84/95/769828495.db2.gz IMIRUXDZQFOCMK-UHFFFAOYSA-N 0 3 301.293 1.846 20 5 DDBDHN CCCN(C)CC(=O)NCCN(CC)c1ccc([N+](=O)[O-])cc1 ZINC001100576526 776320170 /nfs/dbraw/zinc/32/01/70/776320170.db2.gz HGHNZSRWMTYUFW-UHFFFAOYSA-N 0 3 322.409 1.879 20 5 DDBDHN CN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC001326489240 861403423 /nfs/dbraw/zinc/40/34/23/861403423.db2.gz PLPNIQUVRHFISD-KBPBESRZSA-N 0 3 307.350 1.181 20 5 DDBDHN Cc1ncc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])[nH]1 ZINC001155753138 862430305 /nfs/dbraw/zinc/43/03/05/862430305.db2.gz OFRIMHFXFLYUNR-UHFFFAOYSA-N 0 3 317.349 1.536 20 5 DDBDHN Cn1ccc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)c1 ZINC001156552753 863140502 /nfs/dbraw/zinc/14/05/02/863140502.db2.gz PMYJGRZKUPZUGW-UHFFFAOYSA-N 0 3 322.390 1.905 20 5 DDBDHN Cc1cc(Cl)c([N+](=O)[O-])c(N[C@H](C)[C@H]2CNCCO2)n1 ZINC001159496600 865345874 /nfs/dbraw/zinc/34/58/74/865345874.db2.gz KMARNQSBCSORJP-PSASIEDQSA-N 0 3 300.746 1.740 20 5 DDBDHN C[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001159499872 865358993 /nfs/dbraw/zinc/35/89/93/865358993.db2.gz QGTGUXDLZPHOTC-HZMBPMFUSA-N 0 3 302.334 1.932 20 5 DDBDHN CN1CCN(CCCNc2cc(F)cc(F)c2[N+](=O)[O-])CC1 ZINC001161708181 866920437 /nfs/dbraw/zinc/92/04/37/866920437.db2.gz AOVKAINIAOIBKX-UHFFFAOYSA-N 0 3 314.336 1.922 20 5 DDBDHN CN1CCN(CCCNc2ccc3nc[nH]c3c2[N+](=O)[O-])CC1 ZINC001161709996 866923685 /nfs/dbraw/zinc/92/36/85/866923685.db2.gz MGADFZKEHPTZML-UHFFFAOYSA-N 0 3 318.381 1.521 20 5 DDBDHN O=[N+]([O-])c1c(F)cccc1N1CC[C@H]2[C@H]1CCCN2CCO ZINC001335116695 868077090 /nfs/dbraw/zinc/07/70/90/868077090.db2.gz JMWMXWUYEKKRKK-QWHCGFSZSA-N 0 3 309.341 1.769 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCC1(CCNC(=O)C2CC2)CC1 ZINC001163092679 868081067 /nfs/dbraw/zinc/08/10/67/868081067.db2.gz QIZRYQSGZJEDLB-UHFFFAOYSA-N 0 3 321.381 1.114 20 5 DDBDHN CCN1CCCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC1 ZINC001163774676 868695028 /nfs/dbraw/zinc/69/50/28/868695028.db2.gz OYGVGZWWZVNVRT-UHFFFAOYSA-N 0 3 300.746 1.414 20 5 DDBDHN O=C1NCCC12CCN(CCOc1ccccc1[N+](=O)[O-])CC2 ZINC001336842402 869177426 /nfs/dbraw/zinc/17/74/26/869177426.db2.gz LXACTUPCDVDQCV-UHFFFAOYSA-N 0 3 319.361 1.576 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2ccc(-n3ncc4c3CCNC4)nn2)cc1 ZINC001165220367 869443342 /nfs/dbraw/zinc/44/33/42/869443342.db2.gz MTSHQTLWAHMXIQ-UHFFFAOYSA-N 0 3 322.328 1.883 20 5 DDBDHN CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCN(C2CCCC2)CC1 ZINC001339342096 870451928 /nfs/dbraw/zinc/45/19/28/870451928.db2.gz WQXHEVRKXLRZBZ-GFCCVEGCSA-N 0 3 322.413 1.700 20 5 DDBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001304085058 871184974 /nfs/dbraw/zinc/18/49/74/871184974.db2.gz QDYVJPLJUQBQOQ-JTQLQIEISA-N 0 3 323.324 1.245 20 5 DDBDHN CSc1ccc(C(=O)N[C@H]2COC3(CNC3)C2)cc1[N+](=O)[O-] ZINC001340616512 871238209 /nfs/dbraw/zinc/23/82/09/871238209.db2.gz SUZJWUTYMWCOKV-SNVBAGLBSA-N 0 3 323.374 1.177 20 5 DDBDHN CN1CC[C@@H](Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])C1 ZINC001227448633 883025643 /nfs/dbraw/zinc/02/56/43/883025643.db2.gz HODLYXMZJYBFKL-CYBMUJFWSA-N 0 3 312.325 1.614 20 5 DDBDHN CN(C)C[C@@H](CO)Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001353204119 877184233 /nfs/dbraw/zinc/18/42/33/877184233.db2.gz SVUKNKFZLYXQKR-VIFPVBQESA-N 0 3 307.272 1.948 20 5 DDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC2(CC1)CNCCO2 ZINC001355156964 878451324 /nfs/dbraw/zinc/45/13/24/878451324.db2.gz GAXRNSRMWDKZSH-UHFFFAOYSA-N 0 3 319.361 1.118 20 5 DDBDHN COCCN(C)CCNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001355232402 878472779 /nfs/dbraw/zinc/47/27/79/878472779.db2.gz JIOWJPONJAPOBL-UHFFFAOYSA-N 0 3 322.340 1.694 20 5 DDBDHN COC(=O)c1cc(CO[C@@H]2CN3CCC2CC3)cc([N+](=O)[O-])c1 ZINC001223688560 881058055 /nfs/dbraw/zinc/05/80/55/881058055.db2.gz OPUGEISRGQELET-OAHLLOKOSA-N 0 3 320.345 1.992 20 5 DDBDHN C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ncc([N+](=O)[O-])c3nc[n-]c31)C2 ZINC001227692958 883136407 /nfs/dbraw/zinc/13/64/07/883136407.db2.gz HLHDHJXAVAEUKP-ILWJIGKKSA-N 0 3 303.322 1.870 20 5 DDBDHN C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ncc([N+](=O)[O-])c3nc[n-]c31)C2 ZINC001227692958 883136414 /nfs/dbraw/zinc/13/64/14/883136414.db2.gz HLHDHJXAVAEUKP-ILWJIGKKSA-N 0 3 303.322 1.870 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1nncc2n[nH]cc21 ZINC001230900246 885029565 /nfs/dbraw/zinc/02/95/65/885029565.db2.gz FYBTYPYSOCGVKM-ZETCQYMHSA-N 0 3 303.282 1.234 20 5 DDBDHN CN(CCCNC(=O)c1cn[nH]c1)Cc1cccc([N+](=O)[O-])c1 ZINC001234369289 887911225 /nfs/dbraw/zinc/91/12/25/887911225.db2.gz UOQWLZOABDRWMW-UHFFFAOYSA-N 0 3 317.349 1.570 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCN(CC(C)(C)O)CC1 ZINC001254571307 896509002 /nfs/dbraw/zinc/50/90/02/896509002.db2.gz SDUAMFOHEJOOGL-AWEZNQCLSA-N 0 3 321.421 1.914 20 5 DDBDHN C[C@]1(CO)CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@@H]1O ZINC001254593353 896522626 /nfs/dbraw/zinc/52/26/26/896522626.db2.gz LILUJHRMWPUFED-HRCADAONSA-N 0 3 306.362 1.127 20 5 DDBDHN COCCN1CCC(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278482975 214184155 /nfs/dbraw/zinc/18/41/55/214184155.db2.gz OWRGLNMFVZGAMZ-UHFFFAOYSA-N 0 3 319.365 1.994 20 5 DDBDHN C[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000249002292 282126139 /nfs/dbraw/zinc/12/61/39/282126139.db2.gz YYGXMRRHQPYISJ-BZPMIXESSA-N 0 3 310.350 1.037 20 5 DDBDHN COc1cc(C(=O)N[C@@H](C)C2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000272850719 210247666 /nfs/dbraw/zinc/24/76/66/210247666.db2.gz HHWWLDMZFVOCRB-NSHDSACASA-N 0 3 319.361 1.984 20 5 DDBDHN COC[C@@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000452035168 231276842 /nfs/dbraw/zinc/27/68/42/231276842.db2.gz GDRVOODIDLLGDF-KBPBESRZSA-N 0 3 324.377 1.835 20 5 DDBDHN CCOc1ccc([C@H](C)NCC2(CO)COC2)cc1[N+](=O)[O-] ZINC000090642742 185308085 /nfs/dbraw/zinc/30/80/85/185308085.db2.gz WGJDQZSVWUIQGJ-NSHDSACASA-N 0 3 310.350 1.653 20 5 DDBDHN O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCN2CCC[C@@H]2C1 ZINC000255417901 282256025 /nfs/dbraw/zinc/25/60/25/282256025.db2.gz NBTVRIHNBQAFBW-WBTMPAOCSA-N 0 3 301.346 1.915 20 5 DDBDHN CCNC(=O)[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000292748711 282357505 /nfs/dbraw/zinc/35/75/05/282357505.db2.gz BAFQTZUDTODJMT-KGLIPLIRSA-N 0 3 309.366 1.379 20 5 DDBDHN CC1(C)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000279755238 215118800 /nfs/dbraw/zinc/11/88/00/215118800.db2.gz LUQYLYLCXHMVLE-FZMZJTMJSA-N 0 3 310.350 1.037 20 5 DDBDHN Cc1n[nH]c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000331383853 233252328 /nfs/dbraw/zinc/25/23/28/233252328.db2.gz HNQDVPPOZQNSPO-SNVBAGLBSA-N 0 3 307.354 1.373 20 5 DDBDHN COCCCN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000152435256 186072710 /nfs/dbraw/zinc/07/27/10/186072710.db2.gz OBEUTALDTNONOQ-UHFFFAOYSA-N 0 3 309.366 1.601 20 5 DDBDHN COCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000152494770 186078741 /nfs/dbraw/zinc/07/87/41/186078741.db2.gz RGPWYZMFGICDPI-UHFFFAOYSA-N 0 3 309.366 1.601 20 5 DDBDHN COc1cc(C[NH2+][C@H]2CCC[C@H]2CCO)c([N+](=O)[O-])cc1[O-] ZINC000189951199 186253922 /nfs/dbraw/zinc/25/39/22/186253922.db2.gz VXEUKZZQCLMOBE-JQWIXIFHSA-N 0 3 310.350 1.950 20 5 DDBDHN Cc1c(C(=O)NC2(CCO)CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000354142580 290920017 /nfs/dbraw/zinc/92/00/17/290920017.db2.gz IPABWPWGPQDRNC-UHFFFAOYSA-N 0 3 321.377 1.480 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CSc3ccccc32)c1 ZINC000564854994 304019348 /nfs/dbraw/zinc/01/93/48/304019348.db2.gz VBVQXOUKRFXUJV-WCQYABFASA-N 0 3 320.374 1.589 20 5 DDBDHN COc1ccc(OCCN(C)CCn2cccn2)c([N+](=O)[O-])c1 ZINC000173726766 198244643 /nfs/dbraw/zinc/24/46/43/198244643.db2.gz ROOFEBBZTIEICC-UHFFFAOYSA-N 0 3 320.349 1.811 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1CCN(C)CC1 ZINC000174161673 198300338 /nfs/dbraw/zinc/30/03/38/198300338.db2.gz RILJRKKZOFUVRO-UHFFFAOYSA-N 0 3 307.350 1.561 20 5 DDBDHN Cc1c(C(=O)NCC2(O)CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000080881737 353634151 /nfs/dbraw/zinc/63/41/51/353634151.db2.gz ZPJPXKFLJHDXQD-UHFFFAOYSA-N 0 3 307.350 1.090 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](CO)CC1 ZINC000293056318 354453249 /nfs/dbraw/zinc/45/32/49/354453249.db2.gz IFHQJXOLRKTUPR-KBPBESRZSA-N 0 3 324.377 1.429 20 5 DDBDHN COC1CCN(CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587993747 354889880 /nfs/dbraw/zinc/88/98/80/354889880.db2.gz IEIKBXXYYGSCEQ-UHFFFAOYSA-N 0 3 324.381 1.192 20 5 DDBDHN CN(CCN1CCCC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589196653 354971571 /nfs/dbraw/zinc/97/15/71/354971571.db2.gz QHUWPFHRWZZSBF-UHFFFAOYSA-N 0 3 321.377 1.894 20 5 DDBDHN Cc1cc(OCC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590045781 355043258 /nfs/dbraw/zinc/04/32/58/355043258.db2.gz WDLCLIMWJLGGEL-DOMZBBRYSA-N 0 3 319.361 1.445 20 5 DDBDHN CN1CCC[C@]2(CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)C1 ZINC000590141947 355053156 /nfs/dbraw/zinc/05/31/56/355053156.db2.gz VWQFUFAALZEUKO-HNNXBMFYSA-N 0 3 316.365 1.560 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@](O)(CO)C2)cc1 ZINC000590970139 355226268 /nfs/dbraw/zinc/22/62/68/355226268.db2.gz FIFSYNUHPOIHCU-OAHLLOKOSA-N 0 3 310.350 1.183 20 5 DDBDHN Cc1ccc(NCCCNC(=O)[C@H]2NCC2(C)C)c([N+](=O)[O-])c1 ZINC000591667932 355357563 /nfs/dbraw/zinc/35/75/63/355357563.db2.gz GJLRVGJKQWQYCK-CQSZACIVSA-N 0 3 320.393 1.819 20 5 DDBDHN CC(C)O[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000593055558 355781682 /nfs/dbraw/zinc/78/16/82/355781682.db2.gz LQBZPPXGOBDPGM-KGLIPLIRSA-N 0 3 312.370 1.042 20 5 DDBDHN CN(CC(=O)N[C@H](CN)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000594450512 356220955 /nfs/dbraw/zinc/22/09/55/356220955.db2.gz AKIHYYHSLCAYIS-SNVBAGLBSA-N 0 3 320.271 1.037 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CN)C(F)(F)F)c1 ZINC000594451322 356221883 /nfs/dbraw/zinc/22/18/83/356221883.db2.gz KGQYQLWZHIZOJB-SECBINFHSA-N 0 3 307.228 1.223 20 5 DDBDHN CNc1c(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cccc1[N+](=O)[O-] ZINC000594360515 356182774 /nfs/dbraw/zinc/18/27/74/356182774.db2.gz KKQMVPCKZWXTJV-NWDGAFQWSA-N 0 3 318.377 1.945 20 5 DDBDHN Cc1n[nH]c(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594418449 356204304 /nfs/dbraw/zinc/20/43/04/356204304.db2.gz JBAFFCZSRDJNJH-MNOVXSKESA-N 0 3 307.354 1.373 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc3occc3c2)c1 ZINC000594718571 356295086 /nfs/dbraw/zinc/29/50/86/356295086.db2.gz SVLPRYMUBPPMEG-AWEZNQCLSA-N 0 3 316.317 1.688 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CN(C)CCN1C ZINC000595017605 356373117 /nfs/dbraw/zinc/37/31/17/356373117.db2.gz KSTURMJKVCDXLH-GXTWGEPZSA-N 0 3 322.409 1.500 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCN1CCOCC1 ZINC000595006065 356371223 /nfs/dbraw/zinc/37/12/23/356371223.db2.gz GWKVTHYKSVLSPC-CYBMUJFWSA-N 0 3 323.393 1.976 20 5 DDBDHN CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237013260 202121781 /nfs/dbraw/zinc/12/17/81/202121781.db2.gz HKXHRHCSKSTUEC-WDMOLILDSA-N 0 3 321.381 1.376 20 5 DDBDHN C[C@H]1CCCCN1CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596076202 356763547 /nfs/dbraw/zinc/76/35/47/356763547.db2.gz MVNMVAAVWOYGEN-NSHDSACASA-N 0 3 306.366 1.980 20 5 DDBDHN Cc1ccnc(N2CCC(N3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000596267885 356838586 /nfs/dbraw/zinc/83/85/86/356838586.db2.gz BGJHODSUHJMVOL-UHFFFAOYSA-N 0 3 320.393 1.989 20 5 DDBDHN C[C@H](NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000596652054 356942580 /nfs/dbraw/zinc/94/25/80/356942580.db2.gz FQBNJEKXMZKEQX-VIFPVBQESA-N 0 3 303.322 1.400 20 5 DDBDHN CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(CC)C1 ZINC000598040871 357438192 /nfs/dbraw/zinc/43/81/92/357438192.db2.gz IEBRLNFSCDHNGY-LBPRGKRZSA-N 0 3 309.370 1.124 20 5 DDBDHN O=C(N[C@H]1CCN(C2CCCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000598220994 357497416 /nfs/dbraw/zinc/49/74/16/357497416.db2.gz SZSJEJXPOOVWLF-JTQLQIEISA-N 0 3 307.354 1.455 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000598261434 357512273 /nfs/dbraw/zinc/51/22/73/357512273.db2.gz FLKUHBDKOANBOT-GFCCVEGCSA-N 0 3 323.397 1.336 20 5 DDBDHN CC[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598535366 357624353 /nfs/dbraw/zinc/62/43/53/357624353.db2.gz CQYYGROMXDUMIO-NWDGAFQWSA-N 0 3 307.350 1.573 20 5 DDBDHN CC[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000598536302 357625058 /nfs/dbraw/zinc/62/50/58/357625058.db2.gz RFGRPPFJFATJHK-NWDGAFQWSA-N 0 3 306.366 1.606 20 5 DDBDHN COC(=O)CCNC(=O)CCNCc1ccc([N+](=O)[O-])cc1C ZINC000599006730 357791826 /nfs/dbraw/zinc/79/18/26/357791826.db2.gz HEPCHACOQWSRDH-UHFFFAOYSA-N 0 3 323.349 1.062 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CC(CN3CCN(C)CC3)C2)n1 ZINC000599109349 357818424 /nfs/dbraw/zinc/81/84/24/357818424.db2.gz UUSRDKPQNZXMCV-UHFFFAOYSA-N 0 3 319.409 1.290 20 5 DDBDHN C[C@@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180531250 199172127 /nfs/dbraw/zinc/17/21/27/199172127.db2.gz WCYCXPHWKCXJRY-SNVBAGLBSA-N 0 3 307.354 1.034 20 5 DDBDHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601006289 358379145 /nfs/dbraw/zinc/37/91/45/358379145.db2.gz UNHAHNGHXWANRE-JTQLQIEISA-N 0 3 307.325 1.948 20 5 DDBDHN O=C1[C@@H](N2C[C@@H]3COC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000601975501 358762012 /nfs/dbraw/zinc/76/20/12/358762012.db2.gz WJOAFGPUCVUYEV-ZOWXZIJZSA-N 0 3 317.345 1.278 20 5 DDBDHN Cn1cc(CN2CCCN(C[C@H]3CCCO3)CC2)c([N+](=O)[O-])n1 ZINC000602442589 358979067 /nfs/dbraw/zinc/97/90/67/358979067.db2.gz ZNJCOQOJUNQXSC-CQSZACIVSA-N 0 3 323.397 1.015 20 5 DDBDHN CO[C@H](CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000602733102 359155929 /nfs/dbraw/zinc/15/59/29/359155929.db2.gz TUGOXEQDIPTDNH-MAZHCROVSA-N 0 3 324.377 1.443 20 5 DDBDHN Cc1cnn([C@H]2CCN(CCn3c(C)ncc3[N+](=O)[O-])C2)c1 ZINC000602836781 359227664 /nfs/dbraw/zinc/22/76/64/359227664.db2.gz ISGUJEIBPDHLCZ-ZDUSSCGKSA-N 0 3 304.354 1.552 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](CCO)c1ccccc1 ZINC000602803674 359203408 /nfs/dbraw/zinc/20/34/08/359203408.db2.gz ZSCWYWIEFFCURN-CQSZACIVSA-N 0 3 304.350 1.813 20 5 DDBDHN C[C@@H](c1ccccc1)[C@@H](CO)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602810855 359208516 /nfs/dbraw/zinc/20/85/16/359208516.db2.gz OVRBKUGNTSWFCR-SMDDNHRTSA-N 0 3 304.350 1.583 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCOCC2(CCCC2)C1 ZINC000602820289 359214503 /nfs/dbraw/zinc/21/45/03/359214503.db2.gz RVUWFPDZNPPMFL-UHFFFAOYSA-N 0 3 308.382 1.992 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC2(CCOCC2)CC1 ZINC000602826329 359219920 /nfs/dbraw/zinc/21/99/20/359219920.db2.gz LZYFFKLTXQSODA-UHFFFAOYSA-N 0 3 308.382 1.992 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N(CCN(C)C)CC(C)C ZINC000602955137 359320634 /nfs/dbraw/zinc/32/06/34/359320634.db2.gz YDTIZQCQYJQMIN-UHFFFAOYSA-N 0 3 323.397 1.772 20 5 DDBDHN C[C@@H](N[C@@H](CC(N)=O)C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000348279100 283447716 /nfs/dbraw/zinc/44/77/16/283447716.db2.gz OJMNHGMZKROUJL-RISCZKNCSA-N 0 3 321.377 1.916 20 5 DDBDHN CCOC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000604273866 359732290 /nfs/dbraw/zinc/73/22/90/359732290.db2.gz SUSLXDOOOGGBIJ-AWEZNQCLSA-N 0 3 324.377 1.835 20 5 DDBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000188455503 200250056 /nfs/dbraw/zinc/25/00/56/200250056.db2.gz HKTYHIWUIFHJQR-IAQYHMDHSA-N 0 3 318.377 1.733 20 5 DDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1cccnc1[N+](=O)[O-] ZINC000608779269 360241250 /nfs/dbraw/zinc/24/12/50/360241250.db2.gz MUTWVFXAFSEGKP-CYBMUJFWSA-N 0 3 321.381 1.344 20 5 DDBDHN CN1CCC[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000611148671 360638253 /nfs/dbraw/zinc/63/82/53/360638253.db2.gz RQSCMGDPGSUGAF-GFCCVEGCSA-N 0 3 316.361 1.829 20 5 DDBDHN C[C@H](NC(=O)[C@H]1CN2CCN1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000611201350 360657605 /nfs/dbraw/zinc/65/76/05/360657605.db2.gz UAPCPWTVCHOIQV-SWLSCSKDSA-N 0 3 318.377 1.162 20 5 DDBDHN Cc1cn(C[C@@H](O)CN(C)Cc2ccccc2)nc1[N+](=O)[O-] ZINC000619525395 364048026 /nfs/dbraw/zinc/04/80/26/364048026.db2.gz NSEGZLAVJQVBDZ-AWEZNQCLSA-N 0 3 304.350 1.593 20 5 DDBDHN C[C@@H](C(=O)NC[C@@](C)(O)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000566058841 304112701 /nfs/dbraw/zinc/11/27/01/304112701.db2.gz COOSRZFJMNKWLN-WBMJQRKESA-N 0 3 323.393 1.517 20 5 DDBDHN O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C2CC2)C1 ZINC000359224454 299364185 /nfs/dbraw/zinc/36/41/85/299364185.db2.gz IKCVZFYGXOTTEJ-LBPRGKRZSA-N 0 3 304.350 1.631 20 5 DDBDHN CO[C@@H]1CCCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000275247725 212222608 /nfs/dbraw/zinc/22/26/08/212222608.db2.gz POHPZIQMRCCLIF-TZMCWYRMSA-N 0 3 307.350 1.741 20 5 DDBDHN CC(C)[N@H+](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000349774434 284047835 /nfs/dbraw/zinc/04/78/35/284047835.db2.gz HXZPEWUNFFGMDS-SECBINFHSA-N 0 3 321.424 1.663 20 5 DDBDHN CC(C)[N@@H+](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000349774434 284047836 /nfs/dbraw/zinc/04/78/36/284047836.db2.gz HXZPEWUNFFGMDS-SECBINFHSA-N 0 3 321.424 1.663 20 5 DDBDHN NC(=O)[C@@H](Cc1ccccc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000351340942 284320007 /nfs/dbraw/zinc/32/00/07/284320007.db2.gz PBKCMJSOMWSMTM-MRXNPFEDSA-N 0 3 313.357 1.824 20 5 DDBDHN CN(C[C@H]1CCCN(C)C1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000266073821 205077074 /nfs/dbraw/zinc/07/70/74/205077074.db2.gz XMIBDSICGHPCCZ-NSHDSACASA-N 0 3 306.366 1.472 20 5 DDBDHN CC(C)[C@H](CCO)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000274011495 211271715 /nfs/dbraw/zinc/27/17/15/211271715.db2.gz LUVRRVYQLQVSPY-RISCZKNCSA-N 0 3 309.366 1.918 20 5 DDBDHN CO[C@@H]1[C@@H](C)[C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000295936391 532976097 /nfs/dbraw/zinc/97/60/97/532976097.db2.gz IPFBYSKMJQZSTP-CUOATXAZSA-N 0 3 321.377 1.843 20 5 DDBDHN COC(=O)C(C)(C)CN[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000151803882 196730140 /nfs/dbraw/zinc/73/01/40/196730140.db2.gz CBEHHQCCRLOHEE-SNVBAGLBSA-N 0 3 323.349 1.711 20 5 DDBDHN CO[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451578803 533416774 /nfs/dbraw/zinc/41/67/74/533416774.db2.gz XRDYSKLTIYLPEE-KCQAQPDRSA-N 0 3 324.377 1.691 20 5 DDBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])nn1C)c1ccccc1 ZINC000360798734 306988262 /nfs/dbraw/zinc/98/82/62/306988262.db2.gz FGMUYEYQTVOXFG-UHFFFAOYSA-N 0 3 317.349 1.537 20 5 DDBDHN CCOc1ccc([C@@H](C)NC[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000090848825 407171983 /nfs/dbraw/zinc/17/19/83/407171983.db2.gz RCOFEKXDVKGTHT-ABAIWWIYSA-N 0 3 310.350 1.796 20 5 DDBDHN C[C@@H]1CCCCN1CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102332208 407321529 /nfs/dbraw/zinc/32/15/29/407321529.db2.gz VQGWXXKMWYQUGJ-GFCCVEGCSA-N 0 3 323.397 1.517 20 5 DDBDHN Cc1nn(C)c(C(=O)NCCN2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000098104765 407306026 /nfs/dbraw/zinc/30/60/26/407306026.db2.gz SYARJVSSKLPADA-SNVBAGLBSA-N 0 3 309.370 1.241 20 5 DDBDHN C[C@]1(O)CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000124480983 407359427 /nfs/dbraw/zinc/35/94/27/407359427.db2.gz DBZZVXKEZWXKQB-ZFWWWQNUSA-N 0 3 310.350 1.181 20 5 DDBDHN Cc1nn(CCC(=O)NC[C@H]2CCCN(C)C2)c(C)c1[N+](=O)[O-] ZINC000108330944 407383809 /nfs/dbraw/zinc/38/38/09/407383809.db2.gz UECLASYXDNFCFX-CYBMUJFWSA-N 0 3 323.397 1.256 20 5 DDBDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN1C ZINC000127915936 407479734 /nfs/dbraw/zinc/47/97/34/407479734.db2.gz DMVIHVFDNNADGT-JQWIXIFHSA-N 0 3 306.366 1.732 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1N(C)C ZINC000271205482 407574196 /nfs/dbraw/zinc/57/41/96/407574196.db2.gz XTYTZKXTXPGTFW-VXGBXAGGSA-N 0 3 324.406 1.295 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000128548215 407548626 /nfs/dbraw/zinc/54/86/26/407548626.db2.gz CLDIVELLORBZQE-QWRGUYRKSA-N 0 3 323.397 1.487 20 5 DDBDHN O=[N+]([O-])c1cc(CNC2(CO)CCOCC2)ccc1Cl ZINC000227213924 407629266 /nfs/dbraw/zinc/62/92/66/407629266.db2.gz VVSKXAFJTDTYFH-UHFFFAOYSA-N 0 3 300.742 1.879 20 5 DDBDHN COc1ccc(CNC(=O)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000266785863 407633834 /nfs/dbraw/zinc/63/38/34/407633834.db2.gz BRDXEAPCPNTVFW-UHFFFAOYSA-N 0 3 307.350 1.561 20 5 DDBDHN Cc1sc(C(=O)NC[C@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000152919352 407716177 /nfs/dbraw/zinc/71/61/77/407716177.db2.gz VMNPCHOUVXAJSF-LBPRGKRZSA-N 0 3 301.368 1.007 20 5 DDBDHN CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000236908623 407781578 /nfs/dbraw/zinc/78/15/78/407781578.db2.gz HKXHRHCSKSTUEC-SUNKGSAMSA-N 0 3 321.381 1.376 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000268135976 407906942 /nfs/dbraw/zinc/90/69/42/407906942.db2.gz CIGUGXFLKUAGKB-TVQRCGJNSA-N 0 3 304.350 1.390 20 5 DDBDHN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCNCC1 ZINC000237874264 407847559 /nfs/dbraw/zinc/84/75/59/407847559.db2.gz FTOFATQDITUXNY-UHFFFAOYSA-N 0 3 315.333 1.216 20 5 DDBDHN CN(CC1CCN(C)CC1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181041873 407949109 /nfs/dbraw/zinc/94/91/09/407949109.db2.gz RDHOGKWAYAVKKU-UHFFFAOYSA-N 0 3 306.366 1.591 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268245215 407968811 /nfs/dbraw/zinc/96/88/11/407968811.db2.gz VYBAKZSZCWKZTC-SKDRFNHKSA-N 0 3 321.381 1.483 20 5 DDBDHN COC1(C)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273260291 408127724 /nfs/dbraw/zinc/12/77/24/408127724.db2.gz ZFIXLVWVRUHKAJ-ZDUSSCGKSA-N 0 3 324.377 1.835 20 5 DDBDHN CC1(C)CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000175431251 408131511 /nfs/dbraw/zinc/13/15/11/408131511.db2.gz MRCQSIOTHRKHOW-UHFFFAOYSA-N 0 3 320.393 1.997 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCN(CC3CC3)CC2)c1 ZINC000136963122 408133093 /nfs/dbraw/zinc/13/30/93/408133093.db2.gz MNJPXUZJHGSNNH-INIZCTEOSA-N 0 3 305.378 1.656 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000121206201 408164716 /nfs/dbraw/zinc/16/47/16/408164716.db2.gz LMOXTLVGWZTGPC-HZMBPMFUSA-N 0 3 306.366 1.710 20 5 DDBDHN CN(C)CCN(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000176377444 408353106 /nfs/dbraw/zinc/35/31/06/408353106.db2.gz KIYILRFCSDBHQO-UHFFFAOYSA-N 0 3 317.349 1.414 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000247318318 408448240 /nfs/dbraw/zinc/44/82/40/408448240.db2.gz MIJYZYZAUUQHTQ-KOLCDFICSA-N 0 3 309.370 1.095 20 5 DDBDHN CCc1n[nH]c(C(=O)N(C)C[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000265202225 408577360 /nfs/dbraw/zinc/57/73/60/408577360.db2.gz REIWBFUYTHTKIP-JTQLQIEISA-N 0 3 309.370 1.294 20 5 DDBDHN CC[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000270840117 408703118 /nfs/dbraw/zinc/70/31/18/408703118.db2.gz DXEKGTVXRFHTLQ-OSAQELSMSA-N 0 3 310.350 1.037 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@@H](C)CN2CCCCCC2)c1[N+](=O)[O-] ZINC000185429914 408806806 /nfs/dbraw/zinc/80/68/06/408806806.db2.gz YGTCLSPGGGEENU-NSHDSACASA-N 0 3 323.397 1.631 20 5 DDBDHN NC(=O)NC(=O)CCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000177999048 408754934 /nfs/dbraw/zinc/75/49/34/408754934.db2.gz WXGRLVOESCHOPZ-UHFFFAOYSA-N 0 3 320.349 1.534 20 5 DDBDHN CN1CCC(O)(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000265754609 408770761 /nfs/dbraw/zinc/77/07/61/408770761.db2.gz GIOUFJQCDBMQOH-UHFFFAOYSA-N 0 3 308.338 1.173 20 5 DDBDHN C[C@H]1C[C@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])CCN1C ZINC000290863217 408846253 /nfs/dbraw/zinc/84/62/53/408846253.db2.gz YVJJQCLEYDRNKA-VHSXEESVSA-N 0 3 307.354 1.008 20 5 DDBDHN CO[C@H](C)[C@H](C)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000191715189 163199221 /nfs/dbraw/zinc/19/92/21/163199221.db2.gz DUVLAODOPVRKNJ-WDMOLILDSA-N 0 3 307.350 1.713 20 5 DDBDHN CCOc1ccc(C(=O)N2C[C@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000236903403 163365996 /nfs/dbraw/zinc/36/59/96/163365996.db2.gz SZCLCAYXTZHWTQ-WDEREUQCSA-N 0 3 307.350 1.816 20 5 DDBDHN C[C@@H](c1ccccc1)[C@H](NCCn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000292212649 409002371 /nfs/dbraw/zinc/00/23/71/409002371.db2.gz ONGKGDPNQNNWBJ-FZMZJTMJSA-N 0 3 317.349 1.039 20 5 DDBDHN CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000282178777 409006260 /nfs/dbraw/zinc/00/62/60/409006260.db2.gz VPHUGUMMVZRXPQ-CYBMUJFWSA-N 0 3 320.349 1.134 20 5 DDBDHN CC(C)(O)C1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000282352068 409038780 /nfs/dbraw/zinc/03/87/80/409038780.db2.gz ARVLYXAJJIIPFT-UHFFFAOYSA-N 0 3 307.350 1.626 20 5 DDBDHN C[C@H](N[C@H]1CCOC[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000278017605 409051309 /nfs/dbraw/zinc/05/13/09/409051309.db2.gz WFLGHYFZXJEHGE-SUNKGSAMSA-N 0 3 307.350 1.936 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000294751899 409299166 /nfs/dbraw/zinc/29/91/66/409299166.db2.gz WGFNAKCMSHEELS-IUODEOHRSA-N 0 3 321.377 1.430 20 5 DDBDHN C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)CN(C)C ZINC000295216165 409379625 /nfs/dbraw/zinc/37/96/25/409379625.db2.gz AMRMMPAGCXCORQ-LBPRGKRZSA-N 0 3 321.377 1.872 20 5 DDBDHN CNC(=O)[C@]1(C)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000280497853 409330983 /nfs/dbraw/zinc/33/09/83/409330983.db2.gz BAQXHSBFIMSXJI-OAHLLOKOSA-N 0 3 307.350 1.432 20 5 DDBDHN CCO[C@H]1C[C@](N)(C(=O)NCc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000186737243 306718110 /nfs/dbraw/zinc/71/81/10/306718110.db2.gz XGXWQVJTABIEHT-BBRMVZONSA-N 0 3 321.377 1.744 20 5 DDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000346142387 409819676 /nfs/dbraw/zinc/81/96/76/409819676.db2.gz XYLHAEYFOCHILB-RYUDHWBXSA-N 0 3 306.366 1.632 20 5 DDBDHN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1CCOC1 ZINC000332169451 409944172 /nfs/dbraw/zinc/94/41/72/409944172.db2.gz VRDCMETYJMCMBY-HUBLWGQQSA-N 0 3 319.361 1.715 20 5 DDBDHN Cc1cc(NC(=O)C(=O)NCC(C)(C)N(C)C)ccc1[N+](=O)[O-] ZINC000297776153 409994494 /nfs/dbraw/zinc/99/44/94/409994494.db2.gz GLXKOFPHYHVZMW-UHFFFAOYSA-N 0 3 322.365 1.298 20 5 DDBDHN C[C@H]1C[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CN1C1CC1 ZINC000357513638 410078519 /nfs/dbraw/zinc/07/85/19/410078519.db2.gz NPRREUVXTCNYLQ-DTWKUNHWSA-N 0 3 305.338 1.126 20 5 DDBDHN CCN(C)CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359045732 410545174 /nfs/dbraw/zinc/54/51/74/410545174.db2.gz WKTQNQXUGIQSDD-UHFFFAOYSA-N 0 3 317.292 1.878 20 5 DDBDHN NC(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000352944805 410694291 /nfs/dbraw/zinc/69/42/91/410694291.db2.gz NNIFWLPWXYYEPW-NSHDSACASA-N 0 3 319.283 1.923 20 5 DDBDHN C[C@H]1[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343802149 410713141 /nfs/dbraw/zinc/71/31/41/410713141.db2.gz SORXJRVKRHHPSW-SWLSCSKDSA-N 0 3 320.393 1.919 20 5 DDBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccco1 ZINC000359554369 410727189 /nfs/dbraw/zinc/72/71/89/410727189.db2.gz IXPQKDSZFDGXOF-KOLCDFICSA-N 0 3 321.337 1.770 20 5 DDBDHN C[C@@H]1CCC[C@H](C)N1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000347885062 410773883 /nfs/dbraw/zinc/77/38/83/410773883.db2.gz ZKLRCVGHKBUSOF-TXEJJXNPSA-N 0 3 318.381 2.312 20 5 DDBDHN CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CN2CCC1CC2 ZINC000347946516 410809690 /nfs/dbraw/zinc/80/96/90/410809690.db2.gz KOLJFORNPLDTTI-HNNXBMFYSA-N 0 3 319.361 1.526 20 5 DDBDHN CO[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1OC ZINC000337471103 410813007 /nfs/dbraw/zinc/81/30/07/410813007.db2.gz PMXJPOIFQHZNMA-ZIAGYGMSSA-N 0 3 323.349 1.269 20 5 DDBDHN CN1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)C2)C1 ZINC000356279249 410941275 /nfs/dbraw/zinc/94/12/75/410941275.db2.gz LJWPDHMAVAXMJQ-OAHLLOKOSA-N 0 3 319.365 1.130 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCCN(C)C2)n1 ZINC000331208543 411016706 /nfs/dbraw/zinc/01/67/06/411016706.db2.gz PVKWYRCXJZNDRV-LLVKDONJSA-N 0 3 309.370 1.225 20 5 DDBDHN C[C@@H](CO)[C@@H](C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000295769899 225214080 /nfs/dbraw/zinc/21/40/80/225214080.db2.gz PUCZKQHHYOAYLL-WDEREUQCSA-N 0 3 307.350 1.090 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000417188110 225236737 /nfs/dbraw/zinc/23/67/37/225236737.db2.gz VLALHJLEJXCORB-WDEREUQCSA-N 0 3 322.365 1.495 20 5 DDBDHN COC[C@]1(C)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296695825 226133334 /nfs/dbraw/zinc/13/33/34/226133334.db2.gz METGVWBEINTYQI-XJKSGUPXSA-N 0 3 324.377 1.693 20 5 DDBDHN CCN1CC[C@@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])[C@H](C)C1 ZINC000290814717 221943559 /nfs/dbraw/zinc/94/35/59/221943559.db2.gz RQZRQIRZHWGZRH-ZYHUDNBSSA-N 0 3 321.381 1.255 20 5 DDBDHN CNc1c(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000360945987 418552310 /nfs/dbraw/zinc/55/23/10/418552310.db2.gz SUXNAGYZENRUNZ-GWCFXTLKSA-N 0 3 318.377 1.849 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375025226 418590249 /nfs/dbraw/zinc/59/02/49/418590249.db2.gz YNFVPYGAQJSDTH-DZGCQCFKSA-N 0 3 318.377 1.830 20 5 DDBDHN Cc1c(C(=O)Nc2ccn(CCN(C)C)n2)cccc1[N+](=O)[O-] ZINC000338817384 418620991 /nfs/dbraw/zinc/62/09/91/418620991.db2.gz WHAMDIIFDZBIBA-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H](n3cncn3)C2)cc1 ZINC000375316546 418628242 /nfs/dbraw/zinc/62/82/42/418628242.db2.gz DRSMKMMDGJHUDN-CYBMUJFWSA-N 0 3 303.322 1.512 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](O)C2(CC2)C1 ZINC000375311223 418628361 /nfs/dbraw/zinc/62/83/61/418628361.db2.gz VTVRYFFLLPZQHS-CQSZACIVSA-N 0 3 319.361 1.689 20 5 DDBDHN C[C@H]1NCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000417931719 419396514 /nfs/dbraw/zinc/39/65/14/419396514.db2.gz CERXWWVYFLVHCQ-VXGBXAGGSA-N 0 3 306.366 1.529 20 5 DDBDHN COC(=O)[C@H]1CN(C)CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000411910616 419469386 /nfs/dbraw/zinc/46/93/86/419469386.db2.gz SLBXIWUVPZYWHL-OCCSQVGLSA-N 0 3 321.377 1.692 20 5 DDBDHN CO[C@@](C)([C@H](C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000411961722 419524452 /nfs/dbraw/zinc/52/44/52/419524452.db2.gz ARYAVSIGVZATJT-QFYYESIMSA-N 0 3 321.377 1.987 20 5 DDBDHN Cc1nc([C@@H]2CCN(CCOc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000412023009 419568591 /nfs/dbraw/zinc/56/85/91/419568591.db2.gz BMFQKNTXCICOJY-GFCCVEGCSA-N 0 3 317.349 1.890 20 5 DDBDHN Cc1n[nH]c([C@@H]2CCN(CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000412023009 419568599 /nfs/dbraw/zinc/56/85/99/419568599.db2.gz BMFQKNTXCICOJY-GFCCVEGCSA-N 0 3 317.349 1.890 20 5 DDBDHN Cc1nnc([C@@H]2CCN(CCOc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000412023009 419568609 /nfs/dbraw/zinc/56/86/09/419568609.db2.gz BMFQKNTXCICOJY-GFCCVEGCSA-N 0 3 317.349 1.890 20 5 DDBDHN CC(C)[N@H+](C)CC[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000427389768 419653295 /nfs/dbraw/zinc/65/32/95/419653295.db2.gz HDNWIFRADPAFRD-UHFFFAOYSA-N 0 3 305.338 2.397 20 5 DDBDHN CC(C)[N@@H+](C)CC[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000427389768 419653306 /nfs/dbraw/zinc/65/33/06/419653306.db2.gz HDNWIFRADPAFRD-UHFFFAOYSA-N 0 3 305.338 2.397 20 5 DDBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCNC[C@](C)(F)C1 ZINC000420340453 420221132 /nfs/dbraw/zinc/22/11/32/420221132.db2.gz PHJKYMJDRJYQFN-NHYWBVRUSA-N 0 3 324.356 1.555 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000450852615 420545379 /nfs/dbraw/zinc/54/53/79/420545379.db2.gz CYKWMOPOKZQZQM-CYZMBNFOSA-N 0 3 306.366 1.766 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCS1(=O)=O ZINC000449189793 420965878 /nfs/dbraw/zinc/96/58/78/420965878.db2.gz MUKINCWSOLZKLK-AAEUAGOBSA-N 0 3 312.391 1.693 20 5 DDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CNCCC1(F)F ZINC000449662901 421050831 /nfs/dbraw/zinc/05/08/31/421050831.db2.gz HMKYMQDHEVZKKO-GFCCVEGCSA-N 0 3 313.304 1.641 20 5 DDBDHN COc1ccc(CNC[C@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000449396792 421007793 /nfs/dbraw/zinc/00/77/93/421007793.db2.gz SOZNJCKAEMUJTM-CQSZACIVSA-N 0 3 323.393 1.540 20 5 DDBDHN COc1ccc(OCCN2CC[C@@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000488753104 421111379 /nfs/dbraw/zinc/11/13/79/421111379.db2.gz QHDPAOIMYJIDDM-RYUDHWBXSA-N 0 3 310.350 1.685 20 5 DDBDHN NC1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000489884097 421178401 /nfs/dbraw/zinc/17/84/01/421178401.db2.gz PFDUPHNWMKRDMZ-UHFFFAOYSA-N 0 3 306.366 1.785 20 5 DDBDHN C[C@@H]1CCN(CCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000524720013 421266847 /nfs/dbraw/zinc/26/68/47/421266847.db2.gz UQERUYDFQHVAER-GFCCVEGCSA-N 0 3 307.350 1.432 20 5 DDBDHN CC(C)(C)OCCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000515832519 421518648 /nfs/dbraw/zinc/51/86/48/421518648.db2.gz YZEAISUORQZZIH-CYBMUJFWSA-N 0 3 312.366 1.739 20 5 DDBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CNCCC1(F)F ZINC000563562123 421521991 /nfs/dbraw/zinc/52/19/91/421521991.db2.gz OOGUMCXYUYTDNL-LLVKDONJSA-N 0 3 314.292 1.391 20 5 DDBDHN CO[C@H](C)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000515467033 421504889 /nfs/dbraw/zinc/50/48/89/421504889.db2.gz KLHQKZJBZIYOMK-LLVKDONJSA-N 0 3 316.379 1.383 20 5 DDBDHN Cn1c(C(=O)N2CCCN(C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000520150300 421738479 /nfs/dbraw/zinc/73/84/79/421738479.db2.gz ANJHESBCKFPOCD-UHFFFAOYSA-N 0 3 308.382 1.880 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCc1cscn1 ZINC000521611572 421794714 /nfs/dbraw/zinc/79/47/14/421794714.db2.gz FIVNRPLAGHRJBQ-LBPRGKRZSA-N 0 3 323.374 1.623 20 5 DDBDHN Cc1cncc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000582057709 422098102 /nfs/dbraw/zinc/09/81/02/422098102.db2.gz BFOOXURVAVGTFS-OAHLLOKOSA-N 0 3 317.345 1.828 20 5 DDBDHN CC[C@H](CN1CCCC1)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000594299359 422344372 /nfs/dbraw/zinc/34/43/72/422344372.db2.gz LAMJASPNAPGESS-LLVKDONJSA-N 0 3 321.381 1.636 20 5 DDBDHN O=c1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c[nH]1 ZINC000602638714 422436182 /nfs/dbraw/zinc/43/61/82/422436182.db2.gz GINJTTTZQVHEQK-UHFFFAOYSA-N 0 3 303.322 1.729 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000323467070 271030864 /nfs/dbraw/zinc/03/08/64/271030864.db2.gz DQNDHLWVHGEYJL-CQSZACIVSA-N 0 3 314.345 1.550 20 5 DDBDHN CNS(=O)(=O)CCNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344796065 272120393 /nfs/dbraw/zinc/12/03/93/272120393.db2.gz NSVRJDMUDLAKAL-FLIBITNWSA-N 0 3 313.379 1.137 20 5 DDBDHN C[C@H](CO)N1CCCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000346654073 272510624 /nfs/dbraw/zinc/51/06/24/272510624.db2.gz RFIDNXQITWUKML-GFCCVEGCSA-N 0 3 311.357 1.622 20 5 DDBDHN COC(=O)c1cnc(N(C)C[C@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000420643886 274008120 /nfs/dbraw/zinc/00/81/20/274008120.db2.gz XPYUJPGSWOFAHT-LLVKDONJSA-N 0 3 308.338 1.307 20 5 DDBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000278667843 274344854 /nfs/dbraw/zinc/34/48/54/274344854.db2.gz FVNKGXLQSHWPBB-LLVKDONJSA-N 0 3 307.354 1.074 20 5 DDBDHN CCN1CCN([C@H]2CCN(c3ccc(N)cc3[N+](=O)[O-])C2)CC1 ZINC000287222677 276201934 /nfs/dbraw/zinc/20/19/34/276201934.db2.gz ITYHSJKMISFBTO-AWEZNQCLSA-N 0 3 319.409 1.393 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCS(=O)(=O)C1 ZINC000449164928 277594029 /nfs/dbraw/zinc/59/40/29/277594029.db2.gz RXWMUNHHIRDBJG-WCQYABFASA-N 0 3 312.391 1.693 20 5 DDBDHN Cc1cc(N[C@@H]2CC[S@](=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000340777953 280300246 /nfs/dbraw/zinc/30/02/46/280300246.db2.gz MKYCEQMBTZXCKQ-UZJPJQLHSA-N 0 3 305.359 1.806 20 5 DDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000184379659 295371214 /nfs/dbraw/zinc/37/12/14/295371214.db2.gz DGVFQXJCGYBHLI-LLVKDONJSA-N 0 3 319.365 1.272 20 5 DDBDHN CN(C)C1(CN(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCC1 ZINC000354214613 298367428 /nfs/dbraw/zinc/36/74/28/298367428.db2.gz BNCICNPWLCEQBH-UHFFFAOYSA-N 0 3 323.397 1.469 20 5 DDBDHN NC(=O)c1ccnc(N2CCC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000357324432 299007671 /nfs/dbraw/zinc/00/76/71/299007671.db2.gz JHYDYJLLIKCTRK-LLVKDONJSA-N 0 3 319.365 1.153 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1N1CCCN(CCN(C)C)CC1 ZINC000363001920 300197203 /nfs/dbraw/zinc/19/72/03/300197203.db2.gz WIGGZHQYKOEKCV-UHFFFAOYSA-N 0 3 307.398 1.372 20 5 DDBDHN Cc1cc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc([N+](=O)[O-])c1 ZINC000363125568 300215399 /nfs/dbraw/zinc/21/53/99/300215399.db2.gz RFBOOHWYROVARE-UKRRQHHQSA-N 0 3 319.361 1.496 20 5 DDBDHN COc1cccc(NC[C@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000368486704 301038805 /nfs/dbraw/zinc/03/88/05/301038805.db2.gz OVOOCYZDYUSQDC-NEPJUHHUSA-N 0 3 307.350 1.879 20 5 DDBDHN C[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000371350441 301454200 /nfs/dbraw/zinc/45/42/00/301454200.db2.gz RZNLTGNBIGBKAX-KGLIPLIRSA-N 0 3 319.409 1.452 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CC[NH2+][C@H](C)C1 ZINC000235424793 302050307 /nfs/dbraw/zinc/05/03/07/302050307.db2.gz LYXHXMCKXNASLG-MNOVXSKESA-N 0 3 313.379 1.322 20 5 DDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H](C)C1 ZINC000532134260 303276137 /nfs/dbraw/zinc/27/61/37/303276137.db2.gz VLVVJCLGMXDMNM-NEPJUHHUSA-N 0 3 306.366 1.840 20 5 DDBDHN COc1cccc(N2CCCN(CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000368713526 307108359 /nfs/dbraw/zinc/10/83/59/307108359.db2.gz WAUBUXFNUFMHMS-UHFFFAOYSA-N 0 3 323.393 1.886 20 5 DDBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000376561815 307247757 /nfs/dbraw/zinc/24/77/57/307247757.db2.gz JVNMMLWPZZGIOK-SMDDNHRTSA-N 0 3 304.350 1.689 20 5 DDBDHN Cc1cncc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000573712956 308250222 /nfs/dbraw/zinc/25/02/22/308250222.db2.gz NOUKOPNHDHEWTL-CQSZACIVSA-N 0 3 317.345 1.828 20 5 DDBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000576610775 308327402 /nfs/dbraw/zinc/32/74/02/308327402.db2.gz PPCGYPSVCCBADJ-LLVKDONJSA-N 0 3 309.370 1.275 20 5 DDBDHN CN(C)C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000579049052 308502952 /nfs/dbraw/zinc/50/29/52/308502952.db2.gz FVRLBTAHNFTVIE-LBPRGKRZSA-N 0 3 321.312 1.490 20 5 DDBDHN C[C@@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000381423082 325741580 /nfs/dbraw/zinc/74/15/80/325741580.db2.gz AXZWTPMDMQYXBR-RQJHMYQMSA-N 0 3 307.759 1.262 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCOC(F)(F)F ZINC000582236592 325995372 /nfs/dbraw/zinc/99/53/72/325995372.db2.gz DKECQUQMBWAWAP-VIFPVBQESA-N 0 3 324.255 1.461 20 5 DDBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000582475246 337095747 /nfs/dbraw/zinc/09/57/47/337095747.db2.gz MNDYNYWYWGKGID-UHFFFAOYSA-N 0 3 321.333 1.190 20 5 DDBDHN COc1cc(C[NH2+]C[C@]2(O)CCC[C@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000293009846 533887495 /nfs/dbraw/zinc/88/74/95/533887495.db2.gz NVIAFXMYTJEFJR-MEBBXXQBSA-N 0 3 310.350 1.950 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCOC[C@@H]1C ZINC000433179285 534338557 /nfs/dbraw/zinc/33/85/57/534338557.db2.gz WEUKLLXZUAUHFM-AAEUAGOBSA-N 0 3 307.350 1.856 20 5 DDBDHN O=C(NCC1CCN(CCO)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000111417366 527610007 /nfs/dbraw/zinc/61/00/07/527610007.db2.gz HHVKHWSNZVPVRI-UHFFFAOYSA-N 0 3 322.365 1.421 20 5 DDBDHN CC[C@@H](NCCN1C(=O)N[C@@H](C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000459392956 529164333 /nfs/dbraw/zinc/16/43/33/529164333.db2.gz XAHILMXUBKWYFG-GXFFZTMASA-N 0 3 320.349 1.576 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCN2CCC3(CC2)OCCO3)cc1 ZINC000065533308 696345278 /nfs/dbraw/zinc/34/52/78/696345278.db2.gz SRWGIRCHSLJVBK-UHFFFAOYSA-N 0 3 308.334 1.813 20 5 DDBDHN CCCN(CC)CCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119913307 696687579 /nfs/dbraw/zinc/68/75/79/696687579.db2.gz BSDKGSBZKKTTHN-UHFFFAOYSA-N 0 3 321.424 1.667 20 5 DDBDHN COC(=O)CC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000749685227 700176676 /nfs/dbraw/zinc/17/66/76/700176676.db2.gz DHKKYOPTVSZHLJ-HNNXBMFYSA-N 0 3 322.361 1.903 20 5 DDBDHN CNC(=O)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776575981 698119767 /nfs/dbraw/zinc/11/97/67/698119767.db2.gz YDKLYKKKVPJRDO-CQSZACIVSA-N 0 3 307.350 1.086 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@@H](n3cncn3)C2)cc1 ZINC000776879242 698145236 /nfs/dbraw/zinc/14/52/36/698145236.db2.gz SKVWYKBZUYXXPZ-KGLIPLIRSA-N 0 3 303.322 1.167 20 5 DDBDHN CS(=O)(=O)CCCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783620127 698860288 /nfs/dbraw/zinc/86/02/88/698860288.db2.gz GPEGQVMXKDUEBY-UHFFFAOYSA-N 0 3 306.771 1.773 20 5 DDBDHN CC(C)(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000796578591 699940049 /nfs/dbraw/zinc/94/00/49/699940049.db2.gz CVMXFEPEMBXZND-UHFFFAOYSA-N 0 3 321.377 1.964 20 5 DDBDHN O=c1[nH]ccc2c1CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000755208489 700556102 /nfs/dbraw/zinc/55/61/02/700556102.db2.gz XWKUGUKDHQKDKC-OAHLLOKOSA-N 0 3 315.329 1.787 20 5 DDBDHN C[C@@H](N[C@@H](C)CCS(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815588847 701900204 /nfs/dbraw/zinc/90/02/04/701900204.db2.gz AKRYVKPSUFBPOM-VHSXEESVSA-N 0 3 315.395 1.651 20 5 DDBDHN CC(COC(=O)c1nc(N2CCCC2)ncc1Cl)[N+](=O)[O-] ZINC000813103357 702291215 /nfs/dbraw/zinc/29/12/15/702291215.db2.gz PCSRDQGHGOUFSZ-MRVPVSSYSA-N 0 3 314.729 1.552 20 5 DDBDHN CC(COC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C)[N+](=O)[O-] ZINC000813103392 702292240 /nfs/dbraw/zinc/29/22/40/702292240.db2.gz PRIMGXOXTJTJLF-RKDXNWHRSA-N 0 3 307.306 1.285 20 5 DDBDHN Cc1cccc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)c1C ZINC000813107260 702294065 /nfs/dbraw/zinc/29/40/65/702294065.db2.gz NXIUUUPUYYZVFQ-AAEUAGOBSA-N 0 3 320.345 1.865 20 5 DDBDHN CC(=O)N[C@H](CC(=O)OCC(C)[N+](=O)[O-])c1cccs1 ZINC000813108348 702294938 /nfs/dbraw/zinc/29/49/38/702294938.db2.gz DLETWNMQHCBREZ-WCBMZHEXSA-N 0 3 300.336 1.524 20 5 DDBDHN CC(=O)N(CCC(=O)OCC(C)[N+](=O)[O-])Cc1ccccc1 ZINC000813109022 702295537 /nfs/dbraw/zinc/29/55/37/702295537.db2.gz DLTWNPDIUSRMBH-LBPRGKRZSA-N 0 3 308.334 1.634 20 5 DDBDHN CC(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)[N+](=O)[O-] ZINC000813109620 702295946 /nfs/dbraw/zinc/29/59/46/702295946.db2.gz UUISRIDUQSWRMJ-SSDOTTSWSA-N 0 3 323.273 1.505 20 5 DDBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1N1CCNC1=O ZINC000813112127 702297107 /nfs/dbraw/zinc/29/71/07/702297107.db2.gz BWPDRGWQTUOMMI-SECBINFHSA-N 0 3 323.305 1.047 20 5 DDBDHN CC(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)[N+](=O)[O-] ZINC000813115018 702299267 /nfs/dbraw/zinc/29/92/67/702299267.db2.gz IYFWUVWTTHKMDS-WCQYABFASA-N 0 3 306.318 1.244 20 5 DDBDHN C[C@@H](NC[C@@]12COC(=O)N1CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000866519812 706719555 /nfs/dbraw/zinc/71/95/55/706719555.db2.gz WTBPJKOPTYDKGZ-IAQYHMDHSA-N 0 3 321.333 1.467 20 5 DDBDHN O=[N+]([O-])c1ccc(CNCC[S@@](=O)CC(F)(F)F)cc1 ZINC000850349629 703726223 /nfs/dbraw/zinc/72/62/23/703726223.db2.gz HWKNKRQGQDRXPL-HXUWFJFHSA-N 0 3 310.297 1.995 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H](Cn3ccnn3)C2)c1 ZINC000852314408 704008221 /nfs/dbraw/zinc/00/82/21/704008221.db2.gz SKLMQWZKHGTNQG-SWLSCSKDSA-N 0 3 317.349 1.242 20 5 DDBDHN CC(C)N1C[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000818996456 704047577 /nfs/dbraw/zinc/04/75/77/704047577.db2.gz QWKMTIONNIDEKF-JSGCOSHPSA-N 0 3 307.350 1.227 20 5 DDBDHN O=C1CC[C@@H]2CN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000852495722 704062301 /nfs/dbraw/zinc/06/23/01/704062301.db2.gz MTMYJOHZMGXXQE-YUELXQCFSA-N 0 3 319.361 1.229 20 5 DDBDHN CN1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3N)[C@@H]2C1 ZINC000819719170 704164542 /nfs/dbraw/zinc/16/45/42/704164542.db2.gz NNXCATRZNTWKPL-IINYFYTJSA-N 0 3 304.350 1.343 20 5 DDBDHN C[NH+](C)CCO[N-]C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000854945915 704463212 /nfs/dbraw/zinc/46/32/12/704463212.db2.gz VXWWLPBRDNDACR-UHFFFAOYSA-N 0 3 320.305 1.072 20 5 DDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000855163809 704471961 /nfs/dbraw/zinc/47/19/61/704471961.db2.gz GIXVDKDEPLLODO-LLVKDONJSA-N 0 3 306.366 1.780 20 5 DDBDHN COC(=O)C1=CC[C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000862466153 705720043 /nfs/dbraw/zinc/72/00/43/705720043.db2.gz OAQNPPQOELZZJS-LBPRGKRZSA-N 0 3 306.318 1.955 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000863506095 705945252 /nfs/dbraw/zinc/94/52/52/705945252.db2.gz XIEMTASGAXGOAJ-ZDUSSCGKSA-N 0 3 317.349 1.155 20 5 DDBDHN CC(C)N1CCC[C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000829539155 706353060 /nfs/dbraw/zinc/35/30/60/706353060.db2.gz MXOCGPIHAFEPJC-UKRRQHHQSA-N 0 3 321.377 1.617 20 5 DDBDHN O=C1N[C@@H](CN2CCCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000927177240 712949975 /nfs/dbraw/zinc/94/99/75/712949975.db2.gz ZARXAJCLKBEADV-ZDUSSCGKSA-N 0 3 318.333 1.506 20 5 DDBDHN CN(CCNc1ccc([N+](=O)[O-])cc1F)CCOCCO ZINC000882950994 707867609 /nfs/dbraw/zinc/86/76/09/707867609.db2.gz JYQBZZWWSMNAFN-UHFFFAOYSA-N 0 3 301.318 1.087 20 5 DDBDHN CCN1CC[C@@H]1CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000883361034 707984641 /nfs/dbraw/zinc/98/46/41/707984641.db2.gz RNDNLUFTWPSQAV-GFCCVEGCSA-N 0 3 309.366 1.796 20 5 DDBDHN C[C@@H]1CN(Cc2ccc(CNCC[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000899869891 709222259 /nfs/dbraw/zinc/22/22/59/709222259.db2.gz JKECPSNXNUPIHT-OKILXGFUSA-N 0 3 307.394 1.662 20 5 DDBDHN CC(COC(=O)C[C@H]1CCC2(CCOCC2)CO1)[N+](=O)[O-] ZINC000893046397 710546621 /nfs/dbraw/zinc/54/66/21/710546621.db2.gz ANRHDUKWNDCGPR-VXGBXAGGSA-N 0 3 301.339 1.561 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000928430893 713192168 /nfs/dbraw/zinc/19/21/68/713192168.db2.gz JUQJTQLZXFDYKF-HPEDKQMDSA-N 0 3 303.362 1.907 20 5 DDBDHN C[C@H]1[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCN1C ZINC000928445238 713199451 /nfs/dbraw/zinc/19/94/51/713199451.db2.gz PQLCXAPPUCZAIA-SMDDNHRTSA-N 0 3 316.361 1.758 20 5 DDBDHN CCOc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928452603 713203790 /nfs/dbraw/zinc/20/37/90/713203790.db2.gz NFAFISGKRFEFLQ-CMPLNLGQSA-N 0 3 307.350 1.816 20 5 DDBDHN O=[N+]([O-])CCNC[C@H](CO)Cc1ccccc1Br ZINC000905364907 712016632 /nfs/dbraw/zinc/01/66/32/712016632.db2.gz HDDMKGXUCPGBBX-SNVBAGLBSA-N 0 3 317.183 1.466 20 5 DDBDHN CC[C@@H](CO)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000915875569 713434225 /nfs/dbraw/zinc/43/42/25/713434225.db2.gz RXMHYTZWGVZEIN-IUCAKERBSA-N 0 3 315.757 1.936 20 5 DDBDHN CC[C@H](CO)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000916570724 713458376 /nfs/dbraw/zinc/45/83/76/713458376.db2.gz PPIQLJCTRDHYDJ-SECBINFHSA-N 0 3 301.730 1.547 20 5 DDBDHN COc1ccc(NC(=O)N[C@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000930770386 713916213 /nfs/dbraw/zinc/91/62/13/713916213.db2.gz WOJZUFSSDSCPJA-KOLCDFICSA-N 0 3 308.338 1.818 20 5 DDBDHN Cc1c(CNC(=O)N[C@@H]2CCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000922167840 713981009 /nfs/dbraw/zinc/98/10/09/713981009.db2.gz GYRKRBHXFFHQOL-DGCLKSJQSA-N 0 3 306.366 1.795 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cccc(=O)[nH]1 ZINC001125292144 732423963 /nfs/dbraw/zinc/42/39/63/732423963.db2.gz OVPNVFTWNOLWQF-UHFFFAOYSA-N 0 3 316.317 1.215 20 5 DDBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1cnon1 ZINC001020786287 732676251 /nfs/dbraw/zinc/67/62/51/732676251.db2.gz XANHKRFZPGFTDU-XYPYZODXSA-N 0 3 317.305 1.028 20 5 DDBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccc[nH]1 ZINC001021830731 733606015 /nfs/dbraw/zinc/60/60/15/733606015.db2.gz WBJOLBGUJCLRPB-BETUJISGSA-N 0 3 314.345 1.974 20 5 DDBDHN Cc1nscc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125929916 737678446 /nfs/dbraw/zinc/67/84/46/737678446.db2.gz HBAJTRRDNXTLTQ-UHFFFAOYSA-N 0 3 320.374 1.879 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1NCC1(N3CCCC3)COC1)CNC2 ZINC001168451714 745113901 /nfs/dbraw/zinc/11/39/01/745113901.db2.gz RQLXCQIRSLMJDO-UHFFFAOYSA-N 0 3 318.377 1.475 20 5 DDBDHN O=C(CN1CCCC1)NC/C=C/CNc1ccc([N+](=O)[O-])cc1 ZINC001107200291 749570311 /nfs/dbraw/zinc/57/03/11/749570311.db2.gz ITPAEVCLFCRKNC-OWOJBTEDSA-N 0 3 318.377 1.775 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)c1 ZINC001129073178 751227975 /nfs/dbraw/zinc/22/79/75/751227975.db2.gz BBQPOTZJWNHTBS-YGRLFVJLSA-N 0 3 305.334 1.380 20 5 DDBDHN CS(=O)(=O)c1ccc(CN[C@H]2CC[C@H](C[N+](=O)[O-])C2)nc1 ZINC001168961703 762156234 /nfs/dbraw/zinc/15/62/34/762156234.db2.gz JQQRRPAQNWPVKJ-QWRGUYRKSA-N 0 3 313.379 1.020 20 5 DDBDHN Cc1cccnc1N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007694 762175976 /nfs/dbraw/zinc/17/59/76/762175976.db2.gz PIQYGCIGWSFKDT-LSDHHAIUSA-N 0 3 304.394 1.957 20 5 DDBDHN O=C(NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001086288566 761298155 /nfs/dbraw/zinc/29/81/55/761298155.db2.gz AYQXOQBAOQOHGK-YEORSEQZSA-N 0 3 303.362 1.989 20 5 DDBDHN Cc1nc(Cl)nc(N2C[C@H]3CCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157261460 764729168 /nfs/dbraw/zinc/72/91/68/764729168.db2.gz RJNHITOONJUISB-NXEZZACHSA-N 0 3 311.773 1.877 20 5 DDBDHN Cc1nc(Cl)nc(N2C[C@H]3CCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC001157261463 764729391 /nfs/dbraw/zinc/72/93/91/764729391.db2.gz RJNHITOONJUISB-ZJUUUORDSA-N 0 3 311.773 1.877 20 5 DDBDHN Cc1ncn(C)c1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001129959717 767072581 /nfs/dbraw/zinc/07/25/81/767072581.db2.gz KERLINCMAGMFES-UHFFFAOYSA-N 0 3 317.349 1.156 20 5 DDBDHN Cc1[nH]cnc1CC(=O)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094525082 775983939 /nfs/dbraw/zinc/98/39/39/775983939.db2.gz WMIUKEJRSAOCFS-UHFFFAOYSA-N 0 3 317.349 1.787 20 5 DDBDHN CN(C)C1(C(=O)NCCCNc2ncccc2[N+](=O)[O-])CCC1 ZINC001094621519 776141965 /nfs/dbraw/zinc/14/19/65/776141965.db2.gz CINHBQJSKYSIMP-UHFFFAOYSA-N 0 3 321.381 1.392 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)n2nncc2CN)c1F ZINC001173190646 777036663 /nfs/dbraw/zinc/03/66/63/777036663.db2.gz FTKWKDALAVFOGS-QMMMGPOBSA-N 0 3 309.301 1.596 20 5 DDBDHN CNC(=O)[C@H](C)N[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173193311 777037186 /nfs/dbraw/zinc/03/71/86/777037186.db2.gz UPVUYMTXJPMAGL-BDAKNGLRSA-N 0 3 313.329 1.398 20 5 DDBDHN CCCN(C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001110193615 778067525 /nfs/dbraw/zinc/06/75/25/778067525.db2.gz PDUBSKQRPAJDBX-UHFFFAOYSA-N 0 3 321.381 1.392 20 5 DDBDHN CCCN(C)CC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001110193742 778068049 /nfs/dbraw/zinc/06/80/49/778068049.db2.gz VHOHSGREYZUSQB-UHFFFAOYSA-N 0 3 320.393 1.997 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN[C@H](C(C)C)C1 ZINC001118740953 781228350 /nfs/dbraw/zinc/22/83/50/781228350.db2.gz UWOSVNVCIGTLGW-AWEZNQCLSA-N 0 3 306.366 1.707 20 5 DDBDHN NCc1ccnn1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001155125642 861758204 /nfs/dbraw/zinc/75/82/04/861758204.db2.gz UKMFZHGDJVCQLL-UHFFFAOYSA-N 0 3 303.656 1.896 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC001122593624 858902619 /nfs/dbraw/zinc/90/26/19/858902619.db2.gz DTKCRDKKZCHNLF-UHFFFAOYSA-N 0 3 300.318 1.509 20 5 DDBDHN Cc1ncncc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001124118635 859587766 /nfs/dbraw/zinc/58/77/66/859587766.db2.gz AIXOTNRGELBGBH-UHFFFAOYSA-N 0 3 315.333 1.213 20 5 DDBDHN CCOc1nc(N2C[C@@H]3CCCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001157271749 863700753 /nfs/dbraw/zinc/70/07/53/863700753.db2.gz JEPFBZOOKHSRLO-WCQYABFASA-N 0 3 306.366 1.919 20 5 DDBDHN CC(C)Oc1nc(-n2ncc3c2CCNC3)ccc1[N+](=O)[O-] ZINC001165219855 869443730 /nfs/dbraw/zinc/44/37/30/869443730.db2.gz FPEFZMVZYRCECZ-UHFFFAOYSA-N 0 3 303.322 1.608 20 5 DDBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1csnn1 ZINC001317615525 871209900 /nfs/dbraw/zinc/20/99/00/871209900.db2.gz YYUMBTCDKAVWDJ-UHFFFAOYSA-N 0 3 321.362 1.308 20 5 DDBDHN C[C@@H](NC(=O)CNC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC001344789325 873117384 /nfs/dbraw/zinc/11/73/84/873117384.db2.gz GUZIYXNBJRHGFA-RISCZKNCSA-N 0 3 307.350 1.541 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC001348954250 874893791 /nfs/dbraw/zinc/89/37/91/874893791.db2.gz IMNVEJUEFSEOIL-OCCSQVGLSA-N 0 3 303.362 1.988 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCC[C@@]1(O)CCOC1 ZINC000404221984 877013706 /nfs/dbraw/zinc/01/37/06/877013706.db2.gz YOULSLXWPCMCSL-CYBMUJFWSA-N 0 3 300.742 1.879 20 5 DDBDHN CN1[C@@H]2C[C@@H](Oc3cc4[nH]ncc4cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001230594495 884631292 /nfs/dbraw/zinc/63/12/92/884631292.db2.gz FZYSZPLWTIPDON-MRCXROJRSA-N 0 3 316.317 1.654 20 5 DDBDHN CCN1CC[C@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001234361136 887904751 /nfs/dbraw/zinc/90/47/51/887904751.db2.gz ZJVOHBQQUTYRQP-AWEZNQCLSA-N 0 3 321.377 1.904 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@]1(C)CCS(=O)(=O)C1 ZINC001254541988 896496088 /nfs/dbraw/zinc/49/60/88/896496088.db2.gz KHVZXXDYLMDFPQ-SMDDNHRTSA-N 0 3 312.391 1.693 20 5 DDBDHN COC(=O)CCC(=O)CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581444 896512944 /nfs/dbraw/zinc/51/29/44/896512944.db2.gz KONDVEUWITWPGF-GFCCVEGCSA-N 0 3 306.318 1.174 20 5 DDBDHN COC(=O)c1cccc(CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC001256401165 897422871 /nfs/dbraw/zinc/42/28/71/897422871.db2.gz DSMDMASZZWSBES-UHFFFAOYSA-N 0 3 304.306 1.368 20 5 DDBDHN COC[C@H](C)OC[C@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000278442469 214156484 /nfs/dbraw/zinc/15/64/84/214156484.db2.gz WKHUCHBOKGRWHE-YNEHKIRRSA-N 0 3 312.366 1.658 20 5 DDBDHN CC[C@H](O)CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278535222 214218206 /nfs/dbraw/zinc/21/82/06/214218206.db2.gz UOBRTFHZICVUMN-LBPRGKRZSA-N 0 3 319.365 1.364 20 5 DDBDHN C[C@H]1CN(C2CCOCC2)CCN1c1ncccc1[N+](=O)[O-] ZINC000278773011 214391136 /nfs/dbraw/zinc/39/11/36/214391136.db2.gz OPSCMGPOXAVDLG-LBPRGKRZSA-N 0 3 306.366 1.679 20 5 DDBDHN COC(=O)c1cc(C)nc(N(C)CCN(C)C2CC2)c1[N+](=O)[O-] ZINC000286894637 219213954 /nfs/dbraw/zinc/21/39/54/219213954.db2.gz OUXOGQGFJQJCJW-UHFFFAOYSA-N 0 3 322.365 1.615 20 5 DDBDHN CC1(O)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182007776 199373658 /nfs/dbraw/zinc/37/36/58/199373658.db2.gz QPEREBGOLGLGOF-LBPRGKRZSA-N 0 3 310.350 1.181 20 5 DDBDHN CN(C)C[C@]1(O)CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000601226082 358455233 /nfs/dbraw/zinc/45/52/33/358455233.db2.gz QAYWITMWSUUMMM-OAHLLOKOSA-N 0 3 322.365 1.515 20 5 DDBDHN C[C@@H]1[C@@H](N(C)C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000601227820 358455916 /nfs/dbraw/zinc/45/59/16/358455916.db2.gz WPPMBDMHPGURDE-MFKMUULPSA-N 0 3 320.349 1.084 20 5 DDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000152606143 186088837 /nfs/dbraw/zinc/08/88/37/186088837.db2.gz HLXSHIDWGCZIOJ-ZDUSSCGKSA-N 0 3 315.757 1.291 20 5 DDBDHN C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CCN1CC(C)(C)O ZINC000189934945 186251831 /nfs/dbraw/zinc/25/18/31/186251831.db2.gz USDGHNLPZYFILW-LLVKDONJSA-N 0 3 313.423 1.933 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCOCCN(C)C ZINC000355599294 290943742 /nfs/dbraw/zinc/94/37/42/290943742.db2.gz NMUITGBPSVFUGL-UHFFFAOYSA-N 0 3 324.381 1.911 20 5 DDBDHN Cc1c(NC(=O)CCN2CCC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000041886315 352317185 /nfs/dbraw/zinc/31/71/85/352317185.db2.gz WXVBURMFQPYVBI-LBPRGKRZSA-N 0 3 307.350 1.689 20 5 DDBDHN C[C@@H](NC[C@H](C)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173390562 198209522 /nfs/dbraw/zinc/20/95/22/198209522.db2.gz NLXSAWLBIPJLLC-UONOGXRCSA-N 0 3 306.410 1.881 20 5 DDBDHN CC(C)N1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068800548 353131537 /nfs/dbraw/zinc/13/15/37/353131537.db2.gz NRYLHEISFBAXBQ-UHFFFAOYSA-N 0 3 321.377 1.916 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCc3ccccc3C2)c1 ZINC000173712826 198243148 /nfs/dbraw/zinc/24/31/48/198243148.db2.gz YNZWNYLWNZFDAY-INIZCTEOSA-N 0 3 316.361 1.601 20 5 DDBDHN O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCN2CCC1CC2 ZINC000492012486 234359618 /nfs/dbraw/zinc/35/96/18/234359618.db2.gz YZGOTUKFNWTPPA-WAYWQWQTSA-N 0 3 301.346 1.915 20 5 DDBDHN CN(CC(=O)NC[C@@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC000080127678 353592927 /nfs/dbraw/zinc/59/29/27/353592927.db2.gz UNFDVFSHWBCPIZ-ZDUSSCGKSA-N 0 3 320.393 1.489 20 5 DDBDHN Cc1ccc(N2CCCN(CCN(C)C)CC2)c([N+](=O)[O-])c1 ZINC000080611820 353618273 /nfs/dbraw/zinc/61/82/73/353618273.db2.gz GZGOHDXOZDEQGH-UHFFFAOYSA-N 0 3 306.410 1.977 20 5 DDBDHN Cn1cc(CNCC2(CO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000304530938 354467369 /nfs/dbraw/zinc/46/73/69/354467369.db2.gz NCYPRHIJRGRJNY-UHFFFAOYSA-N 0 3 316.361 1.857 20 5 DDBDHN COCCN1CCC(Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587510300 354883097 /nfs/dbraw/zinc/88/30/97/354883097.db2.gz AHIAVPMSSKBLLK-UHFFFAOYSA-N 0 3 324.381 1.192 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000589941445 355033971 /nfs/dbraw/zinc/03/39/71/355033971.db2.gz INYUWYGNPWEOTJ-ZANVPECISA-N 0 3 308.313 1.902 20 5 DDBDHN Cc1c(Br)c(=O)n(C[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000358843499 291052255 /nfs/dbraw/zinc/05/22/55/291052255.db2.gz UPPCFDXOKUGGBQ-ZETCQYMHSA-N 0 3 318.171 1.778 20 5 DDBDHN CC[C@H](C)N1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000590725995 355156824 /nfs/dbraw/zinc/15/68/24/355156824.db2.gz GUMRVYUOWMUNKY-NSHDSACASA-N 0 3 308.382 1.590 20 5 DDBDHN CC(C)O[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000593055711 355781185 /nfs/dbraw/zinc/78/11/85/355781185.db2.gz NEUBJXSYZHWDBN-CQSZACIVSA-N 0 3 309.366 1.646 20 5 DDBDHN CN(CCN1CCCCC1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000593515300 355909739 /nfs/dbraw/zinc/90/97/39/355909739.db2.gz FNKXKSKJKYEOSH-UHFFFAOYSA-N 0 3 308.382 1.591 20 5 DDBDHN COc1ccc(CNCC[C@@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000593688511 355967316 /nfs/dbraw/zinc/96/73/16/355967316.db2.gz VTEGBDSXWQCNFF-HNNXBMFYSA-N 0 3 310.350 1.625 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000595193280 356404304 /nfs/dbraw/zinc/40/43/04/356404304.db2.gz RUTDYVREINBROX-GFCCVEGCSA-N 0 3 320.349 1.134 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1(O)CCOCC1 ZINC000236840075 202033511 /nfs/dbraw/zinc/03/35/11/202033511.db2.gz UTXNLUJZYLIFPF-UHFFFAOYSA-N 0 3 310.350 1.625 20 5 DDBDHN CCOc1cc(C(=O)N2CCCNCC2)c([N+](=O)[O-])cc1OC ZINC000236884335 202051173 /nfs/dbraw/zinc/05/11/73/202051173.db2.gz BKBOOWQEVMHJTP-UHFFFAOYSA-N 0 3 323.349 1.438 20 5 DDBDHN C[C@]12COC[C@H]1CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000595754984 356637699 /nfs/dbraw/zinc/63/76/99/356637699.db2.gz DOMQTFNESKNIKO-INWMFGNUSA-N 0 3 322.361 1.303 20 5 DDBDHN C[C@H](N[C@@H]1C[C@@H](O)C12CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595783629 356650922 /nfs/dbraw/zinc/65/09/22/356650922.db2.gz SIQRHYQFYJEKIE-ZLKJLUDKSA-N 0 3 319.361 1.815 20 5 DDBDHN COc1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000596070739 356761152 /nfs/dbraw/zinc/76/11/52/356761152.db2.gz SXUVMVSNGRXPMJ-AWEZNQCLSA-N 0 3 320.349 1.259 20 5 DDBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CN1C1CC1 ZINC000596155927 356794785 /nfs/dbraw/zinc/79/47/85/356794785.db2.gz LMIOSNNLWHJNBY-MWLCHTKSSA-N 0 3 304.350 1.731 20 5 DDBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)[C@H]2C1 ZINC000596189723 356807124 /nfs/dbraw/zinc/80/71/24/356807124.db2.gz QGHLRECYVULPHF-HZMBPMFUSA-N 0 3 304.350 1.224 20 5 DDBDHN CC(C)(C)N1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000596334535 356860205 /nfs/dbraw/zinc/86/02/05/356860205.db2.gz BIOMOBGIIRDYHU-SECBINFHSA-N 0 3 307.354 1.373 20 5 DDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000597856856 357359772 /nfs/dbraw/zinc/35/97/72/357359772.db2.gz BJQOLYIXFJQOTR-ZDUSSCGKSA-N 0 3 321.377 1.963 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598261929 357512217 /nfs/dbraw/zinc/51/22/17/357512217.db2.gz ITEOARMYGHSRRE-NSHDSACASA-N 0 3 323.397 1.487 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN[C@H](C(C)C)C1 ZINC000598569699 357635703 /nfs/dbraw/zinc/63/57/03/357635703.db2.gz CSKIYBCLTANCEI-ZDUSSCGKSA-N 0 3 307.350 1.673 20 5 DDBDHN CNc1ccc(C(=O)N2CCN[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000598574907 357637824 /nfs/dbraw/zinc/63/78/24/357637824.db2.gz MHHXYERSEDROFR-ZDUSSCGKSA-N 0 3 306.366 1.707 20 5 DDBDHN CCOc1ccc([C@@H](C)NCCN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000599094341 357814462 /nfs/dbraw/zinc/81/44/62/357814462.db2.gz UILYBRRFSYGYAP-OCCSQVGLSA-N 0 3 323.393 1.711 20 5 DDBDHN COC(=O)c1cc(NCCN2CC[C@@H](O)C2)cc(C)c1[N+](=O)[O-] ZINC000599176761 357840536 /nfs/dbraw/zinc/84/05/36/357840536.db2.gz WXFUCCUVFZSSPY-GFCCVEGCSA-N 0 3 323.349 1.168 20 5 DDBDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599622396 357995517 /nfs/dbraw/zinc/99/55/17/357995517.db2.gz BPLIXVOPTLYSHP-RSQPEXBXSA-N 0 3 307.350 1.935 20 5 DDBDHN O=c1[nH]cccc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600760526 358310233 /nfs/dbraw/zinc/31/02/33/358310233.db2.gz VIKQNKFXYWDWPV-LBPRGKRZSA-N 0 3 319.317 1.225 20 5 DDBDHN CN1CC[C@@H]2CN(c3nc4sccn4c3[N+](=O)[O-])C[C@@H]2C1 ZINC000601184356 358437638 /nfs/dbraw/zinc/43/76/38/358437638.db2.gz KUEGKEPTPSACGT-ZJUUUORDSA-N 0 3 307.379 1.692 20 5 DDBDHN Cc1cc(S(=O)(=O)[N-]CC[C@H](C)[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601465804 358565532 /nfs/dbraw/zinc/56/55/32/358565532.db2.gz ZKHGISBGGHZNQH-QMMMGPOBSA-N 0 3 321.424 1.583 20 5 DDBDHN O=C(NC[C@@H]1CNCCO1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602511406 359020052 /nfs/dbraw/zinc/02/00/52/359020052.db2.gz RBKZMXOKPQIDPE-AWEZNQCLSA-N 0 3 319.361 1.121 20 5 DDBDHN C[C@]12CN(Cc3ccccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000602732243 359153848 /nfs/dbraw/zinc/15/38/48/359153848.db2.gz REJMGFWBPMFZGH-GASCZTMLSA-N 0 3 303.318 1.079 20 5 DDBDHN CO[C@H]1C[C@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])C12CCC2 ZINC000602839813 359228626 /nfs/dbraw/zinc/22/86/26/359228626.db2.gz LWLCLUUFYHDRQI-STQMWFEESA-N 0 3 308.382 1.989 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](n3ccnn3)CC2)n1 ZINC000602889805 359273681 /nfs/dbraw/zinc/27/36/81/359273681.db2.gz WAMAFVLVYFUWOO-GFCCVEGCSA-N 0 3 305.342 1.110 20 5 DDBDHN C[C@H](C(=O)N[C@@H](CO)CN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000603053788 359377882 /nfs/dbraw/zinc/37/78/82/359377882.db2.gz SJTOHIYZWDQHSM-GXTWGEPZSA-N 0 3 321.377 1.271 20 5 DDBDHN CSC[C@@H](O)CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602961779 359325297 /nfs/dbraw/zinc/32/52/97/359325297.db2.gz CQFFOHMIZIKMSO-QWHCGFSZSA-N 0 3 300.380 1.116 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997600 359346850 /nfs/dbraw/zinc/34/68/50/359346850.db2.gz NKDLRMNACFFHFG-MJBXVCDLSA-N 0 3 308.382 1.725 20 5 DDBDHN COc1cc([N+](=O)[O-])cn(CCN(C)Cc2ccccc2)c1=O ZINC000603358347 359591317 /nfs/dbraw/zinc/59/13/17/359591317.db2.gz IDPUNHRXHZENAC-UHFFFAOYSA-N 0 3 317.345 1.897 20 5 DDBDHN CC1(CO)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000186896729 200028657 /nfs/dbraw/zinc/02/86/57/200028657.db2.gz NZTLZNJZBWDKRC-ZDUSSCGKSA-N 0 3 324.377 1.429 20 5 DDBDHN CN(C)C1(CN(C)C(=O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000188054611 200186864 /nfs/dbraw/zinc/18/68/64/200186864.db2.gz XTAFNLQFKYOAGX-UHFFFAOYSA-N 0 3 321.377 1.916 20 5 DDBDHN CN1CCC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000604199320 359725338 /nfs/dbraw/zinc/72/53/38/359725338.db2.gz PRVKXRFVNBBYSD-GFCCVEGCSA-N 0 3 306.366 1.607 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cnn(CCN(C)C)c1 ZINC000604511351 359758733 /nfs/dbraw/zinc/75/87/33/359758733.db2.gz ZXZQXOXBJSMJAV-UHFFFAOYSA-N 0 3 318.337 1.309 20 5 DDBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000188455529 200249943 /nfs/dbraw/zinc/24/99/43/200249943.db2.gz HKTYHIWUIFHJQR-ABAIWWIYSA-N 0 3 318.377 1.733 20 5 DDBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000618923020 363802656 /nfs/dbraw/zinc/80/26/56/363802656.db2.gz AMBJSHWSLARGCG-OAHLLOKOSA-N 0 3 307.350 1.124 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(CC3CCOCC3)CC2)nc1 ZINC000264795054 204163463 /nfs/dbraw/zinc/16/34/63/204163463.db2.gz DIPABFJQIVNLJW-UHFFFAOYSA-N 0 3 306.366 1.538 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CNCC1(OCCO)CCOCC1 ZINC000282573244 217098362 /nfs/dbraw/zinc/09/83/62/217098362.db2.gz FPLFQSRFQHURHG-UHFFFAOYSA-N 0 3 324.377 1.551 20 5 DDBDHN Cc1ccc(CNCC2(OCCO)CCOCC2)cc1[N+](=O)[O-] ZINC000282646314 217149860 /nfs/dbraw/zinc/14/98/60/217149860.db2.gz KUEONTFHLREWAQ-UHFFFAOYSA-N 0 3 324.377 1.551 20 5 DDBDHN CO[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000267750396 206258900 /nfs/dbraw/zinc/25/89/00/206258900.db2.gz DLPCIWCGZTTYHS-ZDUSSCGKSA-N 0 3 307.350 1.953 20 5 DDBDHN COc1ccc(CN[C@H](C)[C@@H](CO)SC)cc1[N+](=O)[O-] ZINC000152490035 248296935 /nfs/dbraw/zinc/29/69/35/248296935.db2.gz FMZUKHWXHQVROQ-NOZJJQNGSA-N 0 3 300.380 1.805 20 5 DDBDHN CC[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000105825725 194138962 /nfs/dbraw/zinc/13/89/62/194138962.db2.gz XGLYJJYLFLZQPJ-HIFRSBDPSA-N 0 3 307.394 1.872 20 5 DDBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN(CCO)CCO)o2)c1 ZINC000154918012 197005280 /nfs/dbraw/zinc/00/52/80/197005280.db2.gz OAUKHAQBLGPRMV-UHFFFAOYSA-N 0 3 321.333 1.079 20 5 DDBDHN C[C@@H]1CSC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000352802354 285311248 /nfs/dbraw/zinc/31/12/48/285311248.db2.gz VSHSRXUZPXOAAN-MFKMUULPSA-N 0 3 321.402 1.825 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000440846445 292087547 /nfs/dbraw/zinc/08/75/47/292087547.db2.gz QTQBWIJODKQTAK-QMMMGPOBSA-N 0 3 301.368 1.085 20 5 DDBDHN Cc1nn(C)c(C(=O)NC[C@H](C)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000124288788 407353220 /nfs/dbraw/zinc/35/32/20/407353220.db2.gz AAOZNJCQEQEYTK-NSHDSACASA-N 0 3 323.397 1.487 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000108335413 407384345 /nfs/dbraw/zinc/38/43/45/407384345.db2.gz DXAOHONTHQNMBJ-LLVKDONJSA-N 0 3 307.350 1.675 20 5 DDBDHN CN(CCOc1ccccc1[N+](=O)[O-])CCN1CCOCC1 ZINC000112407197 407429066 /nfs/dbraw/zinc/42/90/66/407429066.db2.gz VFZAULCLPHKTRT-UHFFFAOYSA-N 0 3 309.366 1.238 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000178492786 407471872 /nfs/dbraw/zinc/47/18/72/407471872.db2.gz YOYFNIWJLUYDNJ-HNNXBMFYSA-N 0 3 305.378 1.749 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000266624927 407582310 /nfs/dbraw/zinc/58/23/10/407582310.db2.gz HAULTVOPEKZBFP-TZMCWYRMSA-N 0 3 305.338 1.317 20 5 DDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000115435574 407682002 /nfs/dbraw/zinc/68/20/02/407682002.db2.gz PPDZJVOHHBJMFH-LBPRGKRZSA-N 0 3 323.397 1.327 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000171775065 407767397 /nfs/dbraw/zinc/76/73/97/407767397.db2.gz DQMLLAYEESXDOT-SNVBAGLBSA-N 0 3 309.370 1.485 20 5 DDBDHN CCc1n[n-]c(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000171804067 407770014 /nfs/dbraw/zinc/77/00/14/407770014.db2.gz FOJNVNBWKUVECF-SECBINFHSA-N 0 3 320.353 1.451 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000173715065 407895154 /nfs/dbraw/zinc/89/51/54/407895154.db2.gz KNMYGBMURUTIJY-CYBMUJFWSA-N 0 3 306.366 1.878 20 5 DDBDHN CC(C)NC(=O)c1ccc(N2CC(N(C)C)C2)c([N+](=O)[O-])c1 ZINC000273293060 408140566 /nfs/dbraw/zinc/14/05/66/408140566.db2.gz KSUHNAFNZFJQQZ-UHFFFAOYSA-N 0 3 306.366 1.483 20 5 DDBDHN COc1ccc([C@H](CCO)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000182379372 408142237 /nfs/dbraw/zinc/14/22/37/408142237.db2.gz MUBZOJQVIJKMIC-HNNXBMFYSA-N 0 3 320.349 1.513 20 5 DDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CNC[C@@H]1CCCO1 ZINC000269259504 408235351 /nfs/dbraw/zinc/23/53/51/408235351.db2.gz YRZMDSSUXFVZOC-ZDUSSCGKSA-N 0 3 307.350 1.322 20 5 DDBDHN CCN1CCC[C@@H]1CN(C)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000177022545 408499276 /nfs/dbraw/zinc/49/92/76/408499276.db2.gz HKNNZNIFEJLEQE-LLVKDONJSA-N 0 3 309.370 1.193 20 5 DDBDHN CN(C)[C@@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000161165004 408566869 /nfs/dbraw/zinc/56/68/69/408566869.db2.gz DQXZZMXSDCCIER-MRVPVSSYSA-N 0 3 315.171 1.893 20 5 DDBDHN C[C@H](c1ccncc1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270551589 408575417 /nfs/dbraw/zinc/57/54/17/408575417.db2.gz BLHSPPCOVNJLTH-BXUZGUMPSA-N 0 3 305.338 1.240 20 5 DDBDHN COC(=O)[C@@]1(C)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000177434628 408615024 /nfs/dbraw/zinc/61/50/24/408615024.db2.gz JYTVBBBYUOJFKO-HNNXBMFYSA-N 0 3 308.334 1.859 20 5 DDBDHN CN(C)CCOc1cc(CNc2c([N+](=O)[O-])ncn2C)ccn1 ZINC000270735415 408657982 /nfs/dbraw/zinc/65/79/82/408657982.db2.gz SLJNQBMEVVENFZ-UHFFFAOYSA-N 0 3 320.353 1.276 20 5 DDBDHN CN(C)[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000270758446 408670219 /nfs/dbraw/zinc/67/02/19/408670219.db2.gz LORACNZQPQVLAP-LBPRGKRZSA-N 0 3 317.349 1.361 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000164563749 408799794 /nfs/dbraw/zinc/79/97/94/408799794.db2.gz DWCUXHPOLMRTLQ-OLZOCXBDSA-N 0 3 321.381 1.042 20 5 DDBDHN Cc1cc([N+](=O)[O-])cn(CCCN2CCN(C(C)C)CC2)c1=O ZINC000276332035 408836967 /nfs/dbraw/zinc/83/69/67/408836967.db2.gz LIXYPICPNCKQKH-UHFFFAOYSA-N 0 3 322.409 1.481 20 5 DDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000276571215 408884966 /nfs/dbraw/zinc/88/49/66/408884966.db2.gz UDGUXYLZIALTDQ-CYBMUJFWSA-N 0 3 318.377 1.877 20 5 DDBDHN CN(CCCN(C)C(=O)c1n[nH]cc1[N+](=O)[O-])Cc1ccco1 ZINC000286375500 408972298 /nfs/dbraw/zinc/97/22/98/408972298.db2.gz COUSGFPLILJUNV-UHFFFAOYSA-N 0 3 321.337 1.505 20 5 DDBDHN CCC(=O)N1CC[C@H](N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000285451488 409448639 /nfs/dbraw/zinc/44/86/39/409448639.db2.gz ZMDAXFCIGKAQGO-PWSUYJOCSA-N 0 3 306.366 1.839 20 5 DDBDHN Cc1nn(C)c(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408128958 164236300 /nfs/dbraw/zinc/23/63/00/164236300.db2.gz MLEWTVLSYRLYIP-KOLCDFICSA-N 0 3 309.370 1.049 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCN(C2CCCCC2)CC1 ZINC000408349174 164304649 /nfs/dbraw/zinc/30/46/49/164304649.db2.gz NEIXATMLYXJMGX-UHFFFAOYSA-N 0 3 307.398 1.779 20 5 DDBDHN CN(Cc1cccc(F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304386549 409617724 /nfs/dbraw/zinc/61/77/24/409617724.db2.gz ZRMLRFUGCALLNA-CQSZACIVSA-N 0 3 308.313 1.423 20 5 DDBDHN CC[C@@H](CNS(C)(=O)=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296506319 409590816 /nfs/dbraw/zinc/59/08/16/409590816.db2.gz PHPRZTZLQVRMNA-PWSUYJOCSA-N 0 3 315.395 1.573 20 5 DDBDHN COc1ccc(CNC(C)(C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000308646412 409781905 /nfs/dbraw/zinc/78/19/05/409781905.db2.gz GCKHGZFTFZJWBK-UHFFFAOYSA-N 0 3 323.393 1.804 20 5 DDBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H](C)C1 ZINC000346244112 409870552 /nfs/dbraw/zinc/87/05/52/409870552.db2.gz UNJPEFOYRLLDEA-TUAOUCFPSA-N 0 3 321.381 1.131 20 5 DDBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346254939 409878310 /nfs/dbraw/zinc/87/83/10/409878310.db2.gz HSTLVKNXIPQTTC-SDDRHHMPSA-N 0 3 321.381 1.131 20 5 DDBDHN CCN1CC[C@H]2OCCN(Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000339399028 410160926 /nfs/dbraw/zinc/16/09/26/410160926.db2.gz YNBATDFBURBILB-JKSUJKDBSA-N 0 3 305.378 1.890 20 5 DDBDHN CNC(=O)NC(=O)CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000298533534 410277684 /nfs/dbraw/zinc/27/76/84/410277684.db2.gz WQVHQWRJGPPZKY-UHFFFAOYSA-N 0 3 308.338 1.265 20 5 DDBDHN CN1CCC(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000347048779 410324027 /nfs/dbraw/zinc/32/40/27/410324027.db2.gz RAFMSLLBGARSQQ-UHFFFAOYSA-N 0 3 305.378 1.985 20 5 DDBDHN CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000347015011 410314851 /nfs/dbraw/zinc/31/48/51/410314851.db2.gz UZWCWBRYIQEHCE-CYBMUJFWSA-N 0 3 319.361 1.669 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](O)[C@@H](C)C1 ZINC000351945775 410356292 /nfs/dbraw/zinc/35/62/92/410356292.db2.gz ULEJACICEDUGJC-GWCFXTLKSA-N 0 3 323.349 1.245 20 5 DDBDHN C[C@H]1[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343464888 410473682 /nfs/dbraw/zinc/47/36/82/410473682.db2.gz YVUPJVFNUCZCRI-NWDGAFQWSA-N 0 3 307.350 1.573 20 5 DDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CC(C)(CO)CO ZINC000347354426 410493147 /nfs/dbraw/zinc/49/31/47/410493147.db2.gz BEYOAFAPHLXPPP-QPEQYQDCSA-N 0 3 308.378 1.921 20 5 DDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN(C2CCCC2)CC1 ZINC000299101908 410524728 /nfs/dbraw/zinc/52/47/28/410524728.db2.gz ALRZLJYVPRKXET-UHFFFAOYSA-N 0 3 321.381 1.268 20 5 DDBDHN CN1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)C1 ZINC000301304083 410695733 /nfs/dbraw/zinc/69/57/33/410695733.db2.gz SVEFHFGTTUBOCR-AWEZNQCLSA-N 0 3 322.384 1.950 20 5 DDBDHN COc1cc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)ccc1[N+](=O)[O-] ZINC000580723940 422950118 /nfs/dbraw/zinc/95/01/18/422950118.db2.gz OUCRWJOKNJXYRL-QWHCGFSZSA-N 0 3 319.361 1.912 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000375038647 418593491 /nfs/dbraw/zinc/59/34/91/418593491.db2.gz MAZJASZGVMQJJD-WFASDCNBSA-N 0 3 319.361 1.526 20 5 DDBDHN C[C@H]1COCCN1CCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375610808 418661730 /nfs/dbraw/zinc/66/17/30/418661730.db2.gz HDTQXXZUGZGHKB-KBPBESRZSA-N 0 3 323.397 1.149 20 5 DDBDHN C[C@@H]1CCN[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000422938768 227271141 /nfs/dbraw/zinc/27/11/41/227271141.db2.gz PYQDCQZTLZMJCR-DGCLKSJQSA-N 0 3 306.366 1.511 20 5 DDBDHN CC(C)(C)N(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000411318490 418892751 /nfs/dbraw/zinc/89/27/51/418892751.db2.gz CGJKFGLUPNIWPF-UHFFFAOYSA-N 0 3 322.365 1.509 20 5 DDBDHN CC(C)CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421005403 419439702 /nfs/dbraw/zinc/43/97/02/419439702.db2.gz GHMSVVSDHFSLBE-UHFFFAOYSA-N 0 3 315.395 1.461 20 5 DDBDHN Cc1nc([C@@H]2CCN(CCOc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000412033736 419576726 /nfs/dbraw/zinc/57/67/26/419576726.db2.gz SFUVQOMIDIIIJJ-GFCCVEGCSA-N 0 3 317.349 1.890 20 5 DDBDHN Cc1n[nH]c([C@@H]2CCN(CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000412033736 419576732 /nfs/dbraw/zinc/57/67/32/419576732.db2.gz SFUVQOMIDIIIJJ-GFCCVEGCSA-N 0 3 317.349 1.890 20 5 DDBDHN Cc1nnc([C@@H]2CCN(CCOc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000412033736 419576740 /nfs/dbraw/zinc/57/67/40/419576740.db2.gz SFUVQOMIDIIIJJ-GFCCVEGCSA-N 0 3 317.349 1.890 20 5 DDBDHN Cc1c(CNC(=O)CNC[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000423814473 420201932 /nfs/dbraw/zinc/20/19/32/420201932.db2.gz UCVYEJPQMAWHJN-ZDUSSCGKSA-N 0 3 307.350 1.288 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCNC[C@@](C)(F)C1 ZINC000420343867 420223214 /nfs/dbraw/zinc/22/32/14/420223214.db2.gz RVUBVPMQRGVMMH-OAHLLOKOSA-N 0 3 324.356 1.475 20 5 DDBDHN O=C(CCOC1CNC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423851318 420225848 /nfs/dbraw/zinc/22/58/48/420225848.db2.gz RPPAHAORQNAKRO-UHFFFAOYSA-N 0 3 313.741 1.243 20 5 DDBDHN O=C(NC[C@@H]1CNCCO1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000423989771 420292626 /nfs/dbraw/zinc/29/26/26/420292626.db2.gz ISGMZHKZORUUST-NSHDSACASA-N 0 3 305.290 1.059 20 5 DDBDHN CN(C[C@H]1CCCN1C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000420804829 420399102 /nfs/dbraw/zinc/39/91/02/420399102.db2.gz ACLCDAYYTZZNJT-OAHLLOKOSA-N 0 3 320.393 1.873 20 5 DDBDHN CN(C)CC(C)(C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000416511799 420402342 /nfs/dbraw/zinc/40/23/42/420402342.db2.gz YWSDXXNMSGLDKF-UHFFFAOYSA-N 0 3 301.368 1.213 20 5 DDBDHN CC1(C)COC[C@@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451809693 420612429 /nfs/dbraw/zinc/61/24/29/420612429.db2.gz JUIZLHZEFJLJPN-KBPBESRZSA-N 0 3 319.361 1.715 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC(C3CCCCC3)C2)c1 ZINC000453029485 420704885 /nfs/dbraw/zinc/70/48/85/420704885.db2.gz XDEFQARCHZLAQC-HNNXBMFYSA-N 0 3 308.382 1.664 20 5 DDBDHN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@H]1CNCCC1(F)F ZINC000493599518 420893672 /nfs/dbraw/zinc/89/36/72/420893672.db2.gz SYNWPIRHXVPXKH-ITKZLYELSA-N 0 3 311.288 1.721 20 5 DDBDHN CNc1nc(C(=O)NC[C@@H](C)N(C)C2CC2)ccc1[N+](=O)[O-] ZINC000455381105 421004603 /nfs/dbraw/zinc/00/46/03/421004603.db2.gz JFAOOBPNISPBEF-SECBINFHSA-N 0 3 307.354 1.244 20 5 DDBDHN COc1ccc(CNC[C@@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000449396791 421007084 /nfs/dbraw/zinc/00/70/84/421007084.db2.gz SOZNJCKAEMUJTM-AWEZNQCLSA-N 0 3 323.393 1.540 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000524783283 421273123 /nfs/dbraw/zinc/27/31/23/421273123.db2.gz FTGMFNKPELCJOC-AAEUAGOBSA-N 0 3 306.366 1.877 20 5 DDBDHN CC(COC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000497047706 421355909 /nfs/dbraw/zinc/35/59/09/421355909.db2.gz XJMCGHVJBSBGEF-LPEHRKFASA-N 0 3 302.327 1.498 20 5 DDBDHN C[C@H]1CCN(CC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000518792704 421668404 /nfs/dbraw/zinc/66/84/04/421668404.db2.gz QCMQAAMSJCDGSR-LBPRGKRZSA-N 0 3 303.362 1.821 20 5 DDBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000594282474 422345056 /nfs/dbraw/zinc/34/50/56/422345056.db2.gz QGZDBNIXYIOQPE-QWRGUYRKSA-N 0 3 321.381 1.565 20 5 DDBDHN CC(C)[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000076066451 263328777 /nfs/dbraw/zinc/32/87/77/263328777.db2.gz DKFYHXZEQKVNIN-QWHCGFSZSA-N 0 3 314.411 1.226 20 5 DDBDHN COC(=O)c1cc(C)nc(N[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000342365447 271391131 /nfs/dbraw/zinc/39/11/31/271391131.db2.gz VYYKYQXPAUYICL-WDEREUQCSA-N 0 3 322.365 1.979 20 5 DDBDHN C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCN(C2CCC2)C1 ZINC000344732967 272103609 /nfs/dbraw/zinc/10/36/09/272103609.db2.gz ULVQEXCAVYWYKK-NSHDSACASA-N 0 3 321.381 1.275 20 5 DDBDHN CN(C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000345698292 272307104 /nfs/dbraw/zinc/30/71/04/272307104.db2.gz DTEAGAGTCBSDJB-UHFFFAOYSA-N 0 3 316.361 1.925 20 5 DDBDHN O=[N+]([O-])c1ccc2ccnc(N3CCCN(CCO)CC3)c2c1 ZINC000413125971 275038844 /nfs/dbraw/zinc/03/88/44/275038844.db2.gz RPLAATMDOZDVIP-UHFFFAOYSA-N 0 3 316.361 1.647 20 5 DDBDHN CN1CCC(Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000280931668 277031835 /nfs/dbraw/zinc/03/18/35/277031835.db2.gz HKWFLZIALWAIEC-UHFFFAOYSA-N 0 3 303.322 1.750 20 5 DDBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000179710537 278179947 /nfs/dbraw/zinc/17/99/47/278179947.db2.gz ODCGDVVUYJLXJR-LLVKDONJSA-N 0 3 317.349 1.568 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]([NH3+])C2CC2)c1[N+](=O)[O-] ZINC000193315123 280798989 /nfs/dbraw/zinc/79/89/89/280798989.db2.gz YKMCDWMKHCHZSV-NSHDSACASA-N 0 3 313.379 1.227 20 5 DDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCN1CCCC1 ZINC000089898416 281027232 /nfs/dbraw/zinc/02/72/32/281027232.db2.gz KVVWHQWGECHTAA-CYBMUJFWSA-N 0 3 320.393 1.949 20 5 DDBDHN CN1CC[C@@H]2[C@H](CCCN2c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290732646 290182308 /nfs/dbraw/zinc/18/23/08/290182308.db2.gz GCQVBDUUNXUHKH-ZYHUDNBSSA-N 0 3 319.365 1.009 20 5 DDBDHN C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000357965269 299034798 /nfs/dbraw/zinc/03/47/98/299034798.db2.gz QTTVCIBXTITYGH-MNOVXSKESA-N 0 3 309.370 1.321 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@H]21 ZINC000362279590 300042882 /nfs/dbraw/zinc/04/28/82/300042882.db2.gz HQQQUWXEYODFOY-TVQRCGJNSA-N 0 3 322.340 1.482 20 5 DDBDHN CN(C)CCN1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000362891200 300171066 /nfs/dbraw/zinc/17/10/66/300171066.db2.gz SVJZQGKHUUTOPB-UHFFFAOYSA-N 0 3 310.373 1.808 20 5 DDBDHN CC(C)NC(=O)CCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364322584 300376188 /nfs/dbraw/zinc/37/61/88/300376188.db2.gz GRIWGSLDIYEUDT-LBPRGKRZSA-N 0 3 309.370 1.343 20 5 DDBDHN CC(C)[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)N(C)C ZINC000365926862 300610218 /nfs/dbraw/zinc/61/02/18/300610218.db2.gz GDIVFBYCNZPXHF-AWEZNQCLSA-N 0 3 323.397 1.541 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000367463112 300849006 /nfs/dbraw/zinc/84/90/06/300849006.db2.gz FOXNIVWTPCNBBW-FZMZJTMJSA-N 0 3 318.377 1.997 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000368351025 301008686 /nfs/dbraw/zinc/00/86/86/301008686.db2.gz ADTGRRZVQIYQJF-INIZCTEOSA-N 0 3 319.361 1.771 20 5 DDBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[C@H]1N1CCN(C)CC1 ZINC000374312939 301790556 /nfs/dbraw/zinc/79/05/56/301790556.db2.gz SRBAGOSZCAVVAB-DZGCQCFKSA-N 0 3 319.409 1.452 20 5 DDBDHN CC[C@H]1CN2CCCC[C@@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000375869461 302007724 /nfs/dbraw/zinc/00/77/24/302007724.db2.gz AGBULJABLODGJF-QWHCGFSZSA-N 0 3 307.398 1.777 20 5 DDBDHN O=c1[nH]c(N2CCN3CCC2CC3)nc2ccc([N+](=O)[O-])cc21 ZINC000376477375 302082240 /nfs/dbraw/zinc/08/22/40/302082240.db2.gz QACJIFHUWZARDE-UHFFFAOYSA-N 0 3 315.333 1.528 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377481812 302183994 /nfs/dbraw/zinc/18/39/94/302183994.db2.gz OPIPQXOXQITNGV-CABCVRRESA-N 0 3 319.361 1.117 20 5 DDBDHN Cc1ncsc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000516175122 302785359 /nfs/dbraw/zinc/78/53/59/302785359.db2.gz DZGXWEWBJGTZEJ-NSHDSACASA-N 0 3 323.374 1.889 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000531804458 303257905 /nfs/dbraw/zinc/25/79/05/303257905.db2.gz ZPGCKLGGYGKRCB-NHYWBVRUSA-N 0 3 318.377 1.877 20 5 DDBDHN C[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCCC1 ZINC000541846802 303429706 /nfs/dbraw/zinc/42/97/06/303429706.db2.gz WEZQPMYXRKVROH-JTQLQIEISA-N 0 3 321.333 1.538 20 5 DDBDHN C[C@@H]1N(CCn2cc([N+](=O)[O-])ccc2=O)CCC12CCOCC2 ZINC000375243277 307219484 /nfs/dbraw/zinc/21/94/84/307219484.db2.gz WICBLJBSSBMTMH-ZDUSSCGKSA-N 0 3 321.377 1.648 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000376643034 307251149 /nfs/dbraw/zinc/25/11/49/307251149.db2.gz MSTRXQXZQSUFFX-SMDDNHRTSA-N 0 3 304.350 1.464 20 5 DDBDHN COc1cccc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)c1[N+](=O)[O-] ZINC000584301065 332228830 /nfs/dbraw/zinc/22/88/30/332228830.db2.gz ISIYLWPUAARCTN-NWDGAFQWSA-N 0 3 319.361 1.912 20 5 DDBDHN CC[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccncc1 ZINC000582778296 337153562 /nfs/dbraw/zinc/15/35/62/337153562.db2.gz PZTLDDIQPKLLLL-KGLIPLIRSA-N 0 3 305.338 1.288 20 5 DDBDHN CC1(C)CN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]2COC[C@@H]21 ZINC000452126293 529120802 /nfs/dbraw/zinc/12/08/02/529120802.db2.gz ZXQCBBFMCRBTQT-QWHCGFSZSA-N 0 3 307.350 1.113 20 5 DDBDHN C[C@@H]1OCC[C@@]1(O)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000227145450 697768832 /nfs/dbraw/zinc/76/88/32/697768832.db2.gz HRPFRCOQOSCAJW-TVQRCGJNSA-N 0 3 300.742 1.878 20 5 DDBDHN COC1(CO)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773945805 697825964 /nfs/dbraw/zinc/82/59/64/697825964.db2.gz PDBHOBGLJAASJC-CQSZACIVSA-N 0 3 310.350 1.102 20 5 DDBDHN COc1ccc(NC(=S)NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000782205578 698696259 /nfs/dbraw/zinc/69/62/59/698696259.db2.gz BJRHBUOYCFSMEC-UHFFFAOYSA-N 0 3 324.406 1.984 20 5 DDBDHN Nc1c(F)c(NC[C@@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000785801486 699102673 /nfs/dbraw/zinc/10/26/73/699102673.db2.gz RENPUGLXZAKPHK-VHSXEESVSA-N 0 3 310.329 1.591 20 5 DDBDHN C[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788665599 699332699 /nfs/dbraw/zinc/33/26/99/699332699.db2.gz PBVIHWKOZYBSKX-XVMOGABASA-N 0 3 318.377 1.837 20 5 DDBDHN CNC(=O)C1(NCCOc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000733998761 699631336 /nfs/dbraw/zinc/63/13/36/699631336.db2.gz DKIMFQUGPCQWOA-UHFFFAOYSA-N 0 3 307.350 1.622 20 5 DDBDHN CNC(=O)C1(NCCOc2ccccc2[N+](=O)[O-])CCCC1 ZINC000734000103 699631627 /nfs/dbraw/zinc/63/16/27/699631627.db2.gz RKNGVSJLXRKXBE-UHFFFAOYSA-N 0 3 307.350 1.622 20 5 DDBDHN CC(COC(=O)Cc1cncn1Cc1ccccc1)[N+](=O)[O-] ZINC000813099741 702290198 /nfs/dbraw/zinc/29/01/98/702290198.db2.gz BRDMWTUOXRSFFZ-GFCCVEGCSA-N 0 3 303.318 1.682 20 5 DDBDHN Cc1nc2cc(F)c(F)cc2n1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813104706 702293233 /nfs/dbraw/zinc/29/32/33/702293233.db2.gz QCDSVSDUNIWWIA-SSDOTTSWSA-N 0 3 313.260 1.831 20 5 DDBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)[N+](=O)[O-] ZINC000813105960 702293339 /nfs/dbraw/zinc/29/33/39/702293339.db2.gz WNBBMVREASLXOK-GHMZBOCLSA-N 0 3 300.355 1.480 20 5 DDBDHN CC(C)C[C@H](C(=O)OCC(C)[N+](=O)[O-])N1CCCCC1=O ZINC000813106978 702294390 /nfs/dbraw/zinc/29/43/90/702294390.db2.gz JHLFOGOASNLATI-NWDGAFQWSA-N 0 3 300.355 1.622 20 5 DDBDHN CC(COC(=O)[C@H]1CCCN1C(=O)c1ccccc1)[N+](=O)[O-] ZINC000813113862 702298259 /nfs/dbraw/zinc/29/82/59/702298259.db2.gz VNERIHATECSFIK-WCQYABFASA-N 0 3 306.318 1.500 20 5 DDBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1S(C)(=O)=O ZINC000813114800 702299170 /nfs/dbraw/zinc/29/91/70/702299170.db2.gz WPHPMMIIQXZXHV-VIFPVBQESA-N 0 3 301.320 1.221 20 5 DDBDHN NC(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C(F)(F)F ZINC000831217966 706660136 /nfs/dbraw/zinc/66/01/36/706660136.db2.gz POTCUVHVMZGRAC-MRVPVSSYSA-N 0 3 311.647 1.754 20 5 DDBDHN O=[N+]([O-])c1ccc(Cc2noc(C[C@H]3CSCCN3)n2)nc1 ZINC000843191330 702838095 /nfs/dbraw/zinc/83/80/95/702838095.db2.gz DNYYBSHBTRCCCX-JTQLQIEISA-N 0 3 321.362 1.211 20 5 DDBDHN Cc1c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nnn1C ZINC000845873516 703211281 /nfs/dbraw/zinc/21/12/81/703211281.db2.gz CZOHQWQQFZUAEL-ZANVPECISA-N 0 3 322.296 1.826 20 5 DDBDHN CNc1nccc(C(=O)N2CCN(C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871158048 704234460 /nfs/dbraw/zinc/23/44/60/704234460.db2.gz LRUDZIDFZQPUOC-UHFFFAOYSA-N 0 3 321.381 1.588 20 5 DDBDHN Cc1noc(COC(=O)C2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000853916839 704334811 /nfs/dbraw/zinc/33/48/11/704334811.db2.gz VYZDMKITFUJDDJ-UHFFFAOYSA-N 0 3 309.322 1.809 20 5 DDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855163131 704471731 /nfs/dbraw/zinc/47/17/31/704471731.db2.gz SYCVAGYSIKKEFR-KGLIPLIRSA-N 0 3 321.377 1.617 20 5 DDBDHN O=C([N-][C@@H]1CCC[NH2+]C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857762742 704621585 /nfs/dbraw/zinc/62/15/85/704621585.db2.gz AKKWWEBDTMMKRI-SECBINFHSA-N 0 3 315.276 1.435 20 5 DDBDHN C[C@@H]([N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000857766720 704622428 /nfs/dbraw/zinc/62/24/28/704622428.db2.gz VPIBMWWKKCINPF-JGVFFNPUSA-N 0 3 303.265 1.418 20 5 DDBDHN O=[N+]([O-])c1cccnc1N1CCN(c2ccnc(CO)c2)CC1 ZINC000858565189 704727885 /nfs/dbraw/zinc/72/78/85/704727885.db2.gz JKPZULUJGQQMFH-UHFFFAOYSA-N 0 3 315.333 1.204 20 5 DDBDHN CN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(C)C1 ZINC000893877085 710871167 /nfs/dbraw/zinc/87/11/67/710871167.db2.gz RXYLAKIAGIKINF-OAHLLOKOSA-N 0 3 320.393 1.873 20 5 DDBDHN C[C@H]1CCCN(CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825098963 705599389 /nfs/dbraw/zinc/59/93/89/705599389.db2.gz RAHWASLORUWKMO-WFASDCNBSA-N 0 3 321.377 1.476 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(CO)(CO)CC1 ZINC000877796642 706218875 /nfs/dbraw/zinc/21/88/75/706218875.db2.gz RHBJLVBPUXLDGS-UHFFFAOYSA-N 0 3 308.378 1.778 20 5 DDBDHN CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000865718307 706504704 /nfs/dbraw/zinc/50/47/04/706504704.db2.gz XXVAVMNAPLHXSH-ZDUSSCGKSA-N 0 3 321.352 1.972 20 5 DDBDHN Cc1c(CNCCOCCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000873061302 707713801 /nfs/dbraw/zinc/71/38/01/707713801.db2.gz RJFAUTMRGCAXFU-UHFFFAOYSA-N 0 3 316.379 1.054 20 5 DDBDHN C[C@H](CS(C)(=O)=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463778 708339216 /nfs/dbraw/zinc/33/92/16/708339216.db2.gz IUPMBQXLMGXPJX-GHMZBOCLSA-N 0 3 300.380 1.721 20 5 DDBDHN COc1cc(NCCN(C)CCO)c(Cl)cc1[N+](=O)[O-] ZINC000884826003 708388881 /nfs/dbraw/zinc/38/88/81/708388881.db2.gz CKVJKSUNKRMTES-UHFFFAOYSA-N 0 3 303.746 1.593 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1N1CCCN(C[C@H]2CCCO2)CC1 ZINC000891741798 710280722 /nfs/dbraw/zinc/28/07/22/710280722.db2.gz UICQHVBPOZOTMI-GFCCVEGCSA-N 0 3 309.370 1.019 20 5 DDBDHN COC(=O)c1cc(C)nc(N2CC[C@@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000893942029 710894675 /nfs/dbraw/zinc/89/46/75/710894675.db2.gz YQFCSHAPEIVHQU-ZYHUDNBSSA-N 0 3 320.349 1.225 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@]1(CO)COCCN1C ZINC000903282451 711087919 /nfs/dbraw/zinc/08/79/19/711087919.db2.gz UCKHLHASZQFUDU-BBRMVZONSA-N 0 3 323.393 1.247 20 5 DDBDHN C[C@@H]1[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCN1C ZINC000895737877 711591338 /nfs/dbraw/zinc/59/13/38/711591338.db2.gz GDCHUZWKTVPIMR-KOLCDFICSA-N 0 3 304.350 1.984 20 5 DDBDHN O=C1C[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CN1CC1CC1 ZINC000905452089 712041390 /nfs/dbraw/zinc/04/13/90/712041390.db2.gz MUWRXCTVXANAGW-HIFRSBDPSA-N 0 3 319.361 1.229 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2cnn(CCF)c2)c1 ZINC000905657495 712109038 /nfs/dbraw/zinc/10/90/38/712109038.db2.gz UZAGWNBXPOMVAH-AWEZNQCLSA-N 0 3 308.313 1.584 20 5 DDBDHN COCCN(C)CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000931627341 714141771 /nfs/dbraw/zinc/14/17/71/714141771.db2.gz NVLMIROGUDLLCA-CABCVRRESA-N 0 3 321.377 1.393 20 5 DDBDHN O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934258285 714777485 /nfs/dbraw/zinc/77/74/85/714777485.db2.gz CMKGNSJLIGXJAX-JKSUJKDBSA-N 0 3 323.368 1.765 20 5 DDBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1cn[nH]c1 ZINC001021863811 733626199 /nfs/dbraw/zinc/62/61/99/733626199.db2.gz TZGKTODSTIFIPM-BETUJISGSA-N 0 3 315.333 1.369 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(NCCCN2CCN(C)CC2)n1 ZINC001161700675 740661987 /nfs/dbraw/zinc/66/19/87/740661987.db2.gz PAJLYVSICUBWDE-UHFFFAOYSA-N 0 3 309.370 1.048 20 5 DDBDHN CCCN(C)CC(=O)N(CC)CCNc1ncccc1[N+](=O)[O-] ZINC001106809529 746138688 /nfs/dbraw/zinc/13/86/88/746138688.db2.gz WVEKPILTOIRYHN-UHFFFAOYSA-N 0 3 323.397 1.592 20 5 DDBDHN CCOC(=O)[C@@H]1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCS1 ZINC001169046743 762204743 /nfs/dbraw/zinc/20/47/43/762204743.db2.gz MKCKNRQCOBDCHI-SRVKXCTJSA-N 0 3 302.396 1.412 20 5 DDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[C@@H](N3CCOCC3)[C@@H](F)C2)C1 ZINC001169055291 762210324 /nfs/dbraw/zinc/21/03/24/762210324.db2.gz PBRGGDSERKFASP-APIJFGDWSA-N 0 3 315.389 1.176 20 5 DDBDHN COc1cnc(N2CCCc3ccc(CN)nc32)cc1[N+](=O)[O-] ZINC001169583925 762544059 /nfs/dbraw/zinc/54/40/59/762544059.db2.gz GRDWEYOOQVJGFW-UHFFFAOYSA-N 0 3 315.333 1.936 20 5 DDBDHN CN(CCCNc1ccc([N+](=O)[O-])cc1)C(=O)CN1CCCC1 ZINC001109454869 763724989 /nfs/dbraw/zinc/72/49/89/763724989.db2.gz WQBIKNJKBGOCGH-UHFFFAOYSA-N 0 3 320.393 1.951 20 5 DDBDHN O=C(CCn1ccnc1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001132079670 768610260 /nfs/dbraw/zinc/61/02/60/768610260.db2.gz HTKUIRQDOUYCKQ-UHFFFAOYSA-N 0 3 317.349 1.087 20 5 DDBDHN Cc1nc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cs1 ZINC001132823060 769226848 /nfs/dbraw/zinc/22/68/48/769226848.db2.gz WKRBBNSLQVPFQS-UHFFFAOYSA-N 0 3 320.374 1.879 20 5 DDBDHN COC(=O)CCC(=O)CN[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216414 777049170 /nfs/dbraw/zinc/04/91/70/777049170.db2.gz JDKMIZQJXCGCNT-LLVKDONJSA-N 0 3 308.334 1.638 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1NCCN(C)C(=O)CN(C)C(C)C ZINC001101657841 777354904 /nfs/dbraw/zinc/35/49/04/777354904.db2.gz SUVLSADPMSKHSS-UHFFFAOYSA-N 0 3 323.397 1.509 20 5 DDBDHN CN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C)C1 ZINC001119938552 781689466 /nfs/dbraw/zinc/68/94/66/781689466.db2.gz IWDQMPZJCPLLAZ-OAHLLOKOSA-N 0 3 320.393 1.873 20 5 DDBDHN Cc1cccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)n1 ZINC001123726234 859380551 /nfs/dbraw/zinc/38/05/51/859380551.db2.gz YOMHXCMQLMVTOX-UHFFFAOYSA-N 0 3 314.345 1.818 20 5 DDBDHN C[C@H]1[C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC001332403320 865815387 /nfs/dbraw/zinc/81/53/87/865815387.db2.gz PVVNHMYDBNDLAQ-IINYFYTJSA-N 0 3 304.350 1.713 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(CN)nc2)n1 ZINC001160406862 865819286 /nfs/dbraw/zinc/81/92/86/865819286.db2.gz WZMGTAOHRMGTAS-UHFFFAOYSA-N 0 3 303.278 1.374 20 5 DDBDHN NCc1ccnn1-c1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001162594065 867666849 /nfs/dbraw/zinc/66/68/49/867666849.db2.gz YXHNPOPVTIJUFR-UHFFFAOYSA-N 0 3 312.289 1.822 20 5 DDBDHN C[C@@H](N)c1nc2ccccc2n1-c1cc([N+](=O)[O-])c2nncn2c1 ZINC001162777015 867814030 /nfs/dbraw/zinc/81/40/30/867814030.db2.gz IWFUFDQQKBCGNI-SECBINFHSA-N 0 3 323.316 1.996 20 5 DDBDHN Cc1ocnc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001317572282 871111143 /nfs/dbraw/zinc/11/11/43/871111143.db2.gz HQHNNAJUMYNQOE-UHFFFAOYSA-N 0 3 318.333 1.753 20 5 DDBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)COC2CCOCC2)cc1 ZINC001356535888 879092068 /nfs/dbraw/zinc/09/20/68/879092068.db2.gz XOWWIYPLXWYYAU-AWEZNQCLSA-N 0 3 310.350 1.241 20 5 DDBDHN COC(=O)c1c(CO[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC001223292872 880908626 /nfs/dbraw/zinc/90/86/26/880908626.db2.gz BEYTXJHGYXPQCT-GFCCVEGCSA-N 0 3 308.334 1.992 20 5 DDBDHN COC(=O)c1cnc(OC2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001233861620 887398904 /nfs/dbraw/zinc/39/89/04/887398904.db2.gz JRWGKMSGBBOIDF-UHFFFAOYSA-N 0 3 321.333 1.782 20 5 DDBDHN CN1CC[C@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001234361079 887905334 /nfs/dbraw/zinc/90/53/34/887905334.db2.gz XGEBWMVCIITNMU-ZDUSSCGKSA-N 0 3 307.350 1.514 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)n1 ZINC000248671350 282098529 /nfs/dbraw/zinc/09/85/29/282098529.db2.gz QSCYALNLGWISIQ-VXGBXAGGSA-N 0 3 323.397 1.661 20 5 DDBDHN COC[C@H](C)OC[C@@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000278442457 214157012 /nfs/dbraw/zinc/15/70/12/214157012.db2.gz WKHUCHBOKGRWHE-AVGNSLFASA-N 0 3 312.366 1.658 20 5 DDBDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000451501300 231112186 /nfs/dbraw/zinc/11/21/86/231112186.db2.gz OUPNUIOZHNVEDD-CHWSQXEVSA-N 0 3 307.350 1.936 20 5 DDBDHN CO[C@@H]1CCC[C@H]1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451628922 231144030 /nfs/dbraw/zinc/14/40/30/231144030.db2.gz GRZICLIWONAEKX-TZMCWYRMSA-N 0 3 307.350 1.999 20 5 DDBDHN CN1CC[C@@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294423930 529792778 /nfs/dbraw/zinc/79/27/78/529792778.db2.gz GATYDGOCHQUQTF-LBPRGKRZSA-N 0 3 319.361 1.626 20 5 DDBDHN CC[C@H](C)[C@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000320278148 290819215 /nfs/dbraw/zinc/81/92/15/290819215.db2.gz VSEUGRUFITZYBJ-FZMZJTMJSA-N 0 3 321.381 1.012 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1Nc1cnn(C2CCN(C)CC2)c1 ZINC000601227209 358455470 /nfs/dbraw/zinc/45/54/70/358455470.db2.gz SEUXUPIEEBWFSN-UHFFFAOYSA-N 0 3 305.342 1.535 20 5 DDBDHN CN(C)Cc1ccccc1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000045054189 352400727 /nfs/dbraw/zinc/40/07/27/352400727.db2.gz XFXYDSMVOMRWEV-UHFFFAOYSA-N 0 3 317.349 1.169 20 5 DDBDHN C[C@H]1CCCCN1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000046858788 352465138 /nfs/dbraw/zinc/46/51/38/352465138.db2.gz YZUAWMVPFIWOMA-ZDUSSCGKSA-N 0 3 321.377 1.964 20 5 DDBDHN CC(C)N(C)CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000052875436 352629837 /nfs/dbraw/zinc/62/98/37/352629837.db2.gz NDPPWKFJSRTWAH-UHFFFAOYSA-N 0 3 320.393 1.584 20 5 DDBDHN CN(C)[C@@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491476545 234179441 /nfs/dbraw/zinc/17/94/41/234179441.db2.gz AQHJRZZYZSIZDN-DIECRNLCSA-N 0 3 307.325 1.910 20 5 DDBDHN C[C@H]1CCCN(CCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000067292732 353043017 /nfs/dbraw/zinc/04/30/17/353043017.db2.gz RVHYUOHTBHMKPO-LBPRGKRZSA-N 0 3 309.370 1.030 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](N(C)C)C2)c1 ZINC000358580387 299202447 /nfs/dbraw/zinc/20/24/47/299202447.db2.gz WBYDDTBFKLBDCX-LLVKDONJSA-N 0 3 307.350 1.770 20 5 DDBDHN CN(CCc1ccc(F)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174749003 198379665 /nfs/dbraw/zinc/37/96/65/198379665.db2.gz JHDNCOZFFNPRIG-HNNXBMFYSA-N 0 3 322.340 1.466 20 5 DDBDHN COc1ccc(OCCN(C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174810654 198388324 /nfs/dbraw/zinc/38/83/24/198388324.db2.gz XYPKGJFPVWWVOV-UHFFFAOYSA-N 0 3 320.349 1.811 20 5 DDBDHN CCN(C)CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000091461326 353827171 /nfs/dbraw/zinc/82/71/71/353827171.db2.gz RWWGLYIIMMGUSA-UHFFFAOYSA-N 0 3 306.366 1.851 20 5 DDBDHN CCc1n[nH]c(C(=O)NCCN2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000346204774 283024676 /nfs/dbraw/zinc/02/46/76/283024676.db2.gz MNZHPCXYMHGJAY-GHMZBOCLSA-N 0 3 323.397 1.873 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](CO)c2ccccc2)c1 ZINC000183632810 199623996 /nfs/dbraw/zinc/62/39/96/199623996.db2.gz UQTYAYSQDHIMGN-HZPDHXFCSA-N 0 3 302.330 1.951 20 5 DDBDHN CC[C@H](CN1CCCC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000589573642 355002383 /nfs/dbraw/zinc/00/23/83/355002383.db2.gz ZEOGBJMDDMEFMR-SNVBAGLBSA-N 0 3 307.354 1.375 20 5 DDBDHN COC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000590752046 355165041 /nfs/dbraw/zinc/16/50/41/355165041.db2.gz GHZRIBHBYVKNHD-MNOVXSKESA-N 0 3 321.333 1.465 20 5 DDBDHN O=C1NC2(CO1)CCN(CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000495293113 235159968 /nfs/dbraw/zinc/15/99/68/235159968.db2.gz YUDAGQICDGWRAR-UHFFFAOYSA-N 0 3 305.334 1.712 20 5 DDBDHN CCN1CC[C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000591765735 355380305 /nfs/dbraw/zinc/38/03/05/355380305.db2.gz DJKGOBZQGKBLMX-GFCCVEGCSA-N 0 3 320.349 1.134 20 5 DDBDHN CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593071884 355787418 /nfs/dbraw/zinc/78/74/18/355787418.db2.gz VMYXVCQUPFIUKS-UONOGXRCSA-N 0 3 324.377 1.835 20 5 DDBDHN O=[N+]([O-])c1cccc(N2CCN(C[C@@]3(O)CCCOC3)CC2)c1 ZINC000594716582 356294506 /nfs/dbraw/zinc/29/45/06/356294506.db2.gz BGSZSBKBOUOKCS-INIZCTEOSA-N 0 3 321.377 1.258 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@]1(OCCO)CCOC1 ZINC000594973555 356366647 /nfs/dbraw/zinc/36/66/47/356366647.db2.gz GGCQJBRHBLOXLI-OAHLLOKOSA-N 0 3 310.350 1.161 20 5 DDBDHN CCNC(=O)N1CC[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000565215527 304054332 /nfs/dbraw/zinc/05/43/32/304054332.db2.gz BDVNASIAICEPDM-RISCZKNCSA-N 0 3 318.377 1.976 20 5 DDBDHN CC[C@H](C)[C@H](N)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000236918772 202070343 /nfs/dbraw/zinc/07/03/43/202070343.db2.gz XGSGRKYYWWGZMT-UFBFGSQYSA-N 0 3 309.322 1.693 20 5 DDBDHN O=C1CC[C@@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000595744989 356632414 /nfs/dbraw/zinc/63/24/14/356632414.db2.gz XPLWGVKCKBYEPX-UKRRQHHQSA-N 0 3 303.362 1.738 20 5 DDBDHN C[C@@H](O)[C@H]1CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595767445 356644272 /nfs/dbraw/zinc/64/42/72/356644272.db2.gz XKZTXERIGOUDCY-JHJVBQTASA-N 0 3 310.350 1.180 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H]2COC[C@H]2C1 ZINC000595836997 356672106 /nfs/dbraw/zinc/67/21/06/356672106.db2.gz ZQIPEGFZQVMEAB-MGPQQGTHSA-N 0 3 322.361 1.303 20 5 DDBDHN COc1ccc(OCCN2CC[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595826499 356666098 /nfs/dbraw/zinc/66/60/98/356666098.db2.gz ABFDGELDKBEDBR-OLZOCXBDSA-N 0 3 322.361 1.951 20 5 DDBDHN CC(C)NCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595924165 356706518 /nfs/dbraw/zinc/70/65/18/356706518.db2.gz HGMNJLKEEALEFS-LLVKDONJSA-N 0 3 307.354 1.001 20 5 DDBDHN Cc1c(CN)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)nn1C ZINC000595962331 356725323 /nfs/dbraw/zinc/72/53/23/356725323.db2.gz OZZJOZWYQFKLJU-UHFFFAOYSA-N 0 3 319.321 1.113 20 5 DDBDHN COCCN1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596117155 356779940 /nfs/dbraw/zinc/77/99/40/356779940.db2.gz XDESJUKSJYHIHW-GFCCVEGCSA-N 0 3 322.365 1.216 20 5 DDBDHN CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@H]1CCN(CC)C1 ZINC000598043209 357440872 /nfs/dbraw/zinc/44/08/72/357440872.db2.gz RYFBXXWLUQISPZ-LBPRGKRZSA-N 0 3 309.370 1.042 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000598342051 357543914 /nfs/dbraw/zinc/54/39/14/357543914.db2.gz CNGAUUSPDFLLBU-CYBMUJFWSA-N 0 3 320.393 1.997 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000598341579 357543999 /nfs/dbraw/zinc/54/39/99/357543999.db2.gz CVABFNGSDJPNQT-GFCCVEGCSA-N 0 3 306.366 1.607 20 5 DDBDHN CCn1nncc1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599062873 357805569 /nfs/dbraw/zinc/80/55/69/357805569.db2.gz WIQGPVOKRXNNTE-OLZOCXBDSA-N 0 3 319.369 1.676 20 5 DDBDHN Cc1cc(NC[C@H](O)[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000599131719 357824866 /nfs/dbraw/zinc/82/48/66/357824866.db2.gz BDEVOHNTQIVHNA-JKSUJKDBSA-N 0 3 317.345 1.825 20 5 DDBDHN Cc1ccc(CNCCCN2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000598990644 357785444 /nfs/dbraw/zinc/78/54/44/357785444.db2.gz PBAUJXXCDYHDDE-AWEZNQCLSA-N 0 3 320.393 1.333 20 5 DDBDHN O=[N+]([O-])c1ccc(CCN2CCC(N3CCOCC3)CC2)cc1 ZINC000599474140 357949256 /nfs/dbraw/zinc/94/92/56/357949256.db2.gz IQZWOQYERJSYMF-UHFFFAOYSA-N 0 3 319.405 1.934 20 5 DDBDHN Cc1ccc([C@@H](C)NCCNC(=O)c2ccn[nH]2)cc1[N+](=O)[O-] ZINC000180219482 199132031 /nfs/dbraw/zinc/13/20/31/199132031.db2.gz WZMFYKUJVLDJCQ-LLVKDONJSA-N 0 3 317.349 1.707 20 5 DDBDHN CN(CCN(C)C1CC1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601144198 358419552 /nfs/dbraw/zinc/41/95/52/358419552.db2.gz QGZVANUDKBIZLS-UHFFFAOYSA-N 0 3 321.303 1.878 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCC[C@@H]1CCO ZINC000348148536 283390919 /nfs/dbraw/zinc/39/09/19/283390919.db2.gz IRLIDDZPLAYBJJ-CHWSQXEVSA-N 0 3 321.377 1.982 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](c2nccn2C)C1 ZINC000602796687 359197233 /nfs/dbraw/zinc/19/72/33/359197233.db2.gz RQBIHTCYCTVGNH-GFCCVEGCSA-N 0 3 304.354 1.323 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000602958985 359323044 /nfs/dbraw/zinc/32/30/44/359323044.db2.gz RZEMTHGZUMNFPU-GFCCVEGCSA-N 0 3 319.365 1.422 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN1CCCC1 ZINC000603054252 359379350 /nfs/dbraw/zinc/37/93/50/359379350.db2.gz WMNZOYUSJTVJPQ-ZDUSSCGKSA-N 0 3 321.377 1.398 20 5 DDBDHN COc1ccc(CNC(=O)N[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000604290928 359733115 /nfs/dbraw/zinc/73/31/15/359733115.db2.gz QWKPTCCSHRUJMQ-GFCCVEGCSA-N 0 3 322.365 1.497 20 5 DDBDHN C[C@@H](O)CN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000188732764 200296258 /nfs/dbraw/zinc/29/62/58/200296258.db2.gz DOBMADSFWGIUEH-YVARQFDVSA-N 0 3 305.378 1.606 20 5 DDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccc2c(c1)CNC2 ZINC000188715406 200292647 /nfs/dbraw/zinc/29/26/47/200292647.db2.gz OBVQHUGDYXPVOZ-UHFFFAOYSA-N 0 3 315.333 1.101 20 5 DDBDHN CO[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000189326647 200382296 /nfs/dbraw/zinc/38/22/96/200382296.db2.gz HTRFWMIFWMOBLC-XEZPLFJOSA-N 0 3 324.377 1.691 20 5 DDBDHN CN(CCN1CCCC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609132077 360262720 /nfs/dbraw/zinc/26/27/20/360262720.db2.gz IYPWPJMYUFFMPI-UHFFFAOYSA-N 0 3 321.333 1.491 20 5 DDBDHN CC[C@H](CN1CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000610522155 360460167 /nfs/dbraw/zinc/46/01/67/360460167.db2.gz XVXKFIGALQLMFZ-LLVKDONJSA-N 0 3 306.366 1.781 20 5 DDBDHN CC[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281287261 216211596 /nfs/dbraw/zinc/21/15/96/216211596.db2.gz GTLNBITZTVPLCQ-LSDHHAIUSA-N 0 3 324.377 1.835 20 5 DDBDHN CC[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000281291883 216215869 /nfs/dbraw/zinc/21/58/69/216215869.db2.gz GXTOBPPXXVPZPQ-UONOGXRCSA-N 0 3 324.377 1.835 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](CCO)C1 ZINC000612070176 360909185 /nfs/dbraw/zinc/90/91/85/360909185.db2.gz DAYJUXDTKYMMGY-ZIAGYGMSSA-N 0 3 324.377 1.429 20 5 DDBDHN Cc1ccc(S(=O)(=O)N[C@H]2CNCC[C@H]2C)cc1[N+](=O)[O-] ZINC000193415338 201049068 /nfs/dbraw/zinc/04/90/68/201049068.db2.gz IBFCZTBOKJUCHB-SKDRFNHKSA-N 0 3 313.379 1.180 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCCN(C)C2)c1 ZINC000619583490 364071895 /nfs/dbraw/zinc/07/18/95/364071895.db2.gz PFABUTWZUHWVCO-ZDUSSCGKSA-N 0 3 321.377 1.883 20 5 DDBDHN CCN1CCCC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000264662365 204063337 /nfs/dbraw/zinc/06/33/37/204063337.db2.gz DSOKWQDOWXFTCN-GFCCVEGCSA-N 0 3 309.370 1.172 20 5 DDBDHN CN(CCc1cccc([N+](=O)[O-])c1)CCn1cc([N+](=O)[O-])cn1 ZINC000282506565 217048343 /nfs/dbraw/zinc/04/83/43/217048343.db2.gz RLSNGCJVUBKSRO-UHFFFAOYSA-N 0 3 319.321 1.874 20 5 DDBDHN COc1cc(C(=O)NC[C@@H](C)N(C)C)cc([N+](=O)[O-])c1OC ZINC000266118484 205112251 /nfs/dbraw/zinc/11/22/51/205112251.db2.gz XXBIEQIUUKKYIG-SECBINFHSA-N 0 3 311.338 1.292 20 5 DDBDHN C[C@@]1(CO)CCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000351523504 284361053 /nfs/dbraw/zinc/36/10/53/284361053.db2.gz LVRGDMVLICARAH-ZFWWWQNUSA-N 0 3 307.350 1.334 20 5 DDBDHN CN(Cc1ccc(Cl)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266381962 205304426 /nfs/dbraw/zinc/30/44/26/205304426.db2.gz AXAXNQDQOGCESE-CQSZACIVSA-N 0 3 324.768 1.938 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@H]2CCN(C)C[C@H]21 ZINC000284715644 218147239 /nfs/dbraw/zinc/14/72/39/218147239.db2.gz ULZRFXDBGTWFQS-CVEARBPZSA-N 0 3 305.378 1.808 20 5 DDBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285096835 218289154 /nfs/dbraw/zinc/28/91/54/218289154.db2.gz NPFDZBXDMHAJGB-GFCCVEGCSA-N 0 3 317.349 1.221 20 5 DDBDHN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)N(C)C)cc1 ZINC000285179470 218322370 /nfs/dbraw/zinc/32/23/70/218322370.db2.gz QZCWEWUEYRTAMO-CYBMUJFWSA-N 0 3 317.349 1.659 20 5 DDBDHN CCC[NH2+]CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000054266641 183931875 /nfs/dbraw/zinc/93/18/75/183931875.db2.gz UEFFRKDYWHLNLX-UHFFFAOYSA-N 0 3 301.368 1.181 20 5 DDBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000495857606 307320899 /nfs/dbraw/zinc/32/08/99/307320899.db2.gz VXEUIIZEJUYLRP-WDEREUQCSA-N 0 3 316.354 1.842 20 5 DDBDHN O=[N+]([O-])c1cnc2ccc(N3CC[C@H](N4CCCC4)C3)nn21 ZINC000301956234 285185810 /nfs/dbraw/zinc/18/58/10/285185810.db2.gz FLFDEWGQOQPLGF-NSHDSACASA-N 0 3 302.338 1.312 20 5 DDBDHN CN1CC[C@@H](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000352914893 285384479 /nfs/dbraw/zinc/38/44/79/285384479.db2.gz MSIUHKSGNYGFSV-SNVBAGLBSA-N 0 3 304.306 1.363 20 5 DDBDHN CO[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451539476 533414341 /nfs/dbraw/zinc/41/43/41/533414341.db2.gz FISFUGJRPFNBHY-JGGQBBKZSA-N 0 3 324.377 1.691 20 5 DDBDHN C[C@H](CCS(C)(=O)=O)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569000666 304329264 /nfs/dbraw/zinc/32/92/64/304329264.db2.gz MKCKPMAFMXHUEK-MFKMUULPSA-N 0 3 312.391 1.995 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCN(CC2CCC2)CC1 ZINC000569589578 304366835 /nfs/dbraw/zinc/36/68/35/304366835.db2.gz LOIORXISWQQANY-UHFFFAOYSA-N 0 3 320.393 1.881 20 5 DDBDHN COCCN(C)CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087259161 407118637 /nfs/dbraw/zinc/11/86/37/407118637.db2.gz GFWAQPZLQXVOQL-UHFFFAOYSA-N 0 3 309.366 1.222 20 5 DDBDHN CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000051556033 407141592 /nfs/dbraw/zinc/14/15/92/407141592.db2.gz AAESGRFUUFXDJT-HOCLYGCPSA-N 0 3 324.377 1.835 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102486960 407323515 /nfs/dbraw/zinc/32/35/15/407323515.db2.gz WQHLALCCZDXHMF-NSHDSACASA-N 0 3 309.370 1.127 20 5 DDBDHN C[C@H]1CCCN(CCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000067292762 407270500 /nfs/dbraw/zinc/27/05/00/407270500.db2.gz UIIVEMZYTREJQV-ZDUSSCGKSA-N 0 3 320.393 1.855 20 5 DDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124657338 407365966 /nfs/dbraw/zinc/36/59/66/407365966.db2.gz QQFZDHFRQCDQDG-LLVKDONJSA-N 0 3 307.354 1.795 20 5 DDBDHN COCC1=CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000185824215 407511633 /nfs/dbraw/zinc/51/16/33/407511633.db2.gz IXVRDDLIJRUQQO-HNNXBMFYSA-N 0 3 322.361 1.613 20 5 DDBDHN CCC[C@](C)(N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000261750283 407600671 /nfs/dbraw/zinc/60/06/71/407600671.db2.gz OUDBXFFLQYRJFA-INIZCTEOSA-N 0 3 320.393 1.761 20 5 DDBDHN CN(CCOCc1ccccc1)CCn1cc([N+](=O)[O-])cn1 ZINC000154608531 408060126 /nfs/dbraw/zinc/06/01/26/408060126.db2.gz NDXFWMKDKVNDAV-UHFFFAOYSA-N 0 3 304.350 1.940 20 5 DDBDHN COCCO[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000189665654 408073234 /nfs/dbraw/zinc/07/32/34/408073234.db2.gz WVXCYPYYHCCJSO-OAHLLOKOSA-N 0 3 310.350 1.711 20 5 DDBDHN CC(C)(C)[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1O ZINC000273244439 408123246 /nfs/dbraw/zinc/12/32/46/408123246.db2.gz GERNIQHYFXWIGT-ZIAGYGMSSA-N 0 3 323.393 1.485 20 5 DDBDHN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCO1 ZINC000183113567 408329419 /nfs/dbraw/zinc/32/94/19/408329419.db2.gz MHZLWDOYAXSHNR-NHYWBVRUSA-N 0 3 319.361 1.641 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC000269322685 408268685 /nfs/dbraw/zinc/26/86/85/408268685.db2.gz BTBHBPLJDJFSNT-SECBINFHSA-N 0 3 309.370 1.654 20 5 DDBDHN CN(CCOc1ccccc1F)CCn1ccc([N+](=O)[O-])n1 ZINC000176198801 408306147 /nfs/dbraw/zinc/30/61/47/408306147.db2.gz DFFGIKNIKZROJD-UHFFFAOYSA-N 0 3 308.313 1.941 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CN2CCCCCC2)n1 ZINC000191895750 408505920 /nfs/dbraw/zinc/50/59/20/408505920.db2.gz SSARZEDZIMJKDL-GFCCVEGCSA-N 0 3 323.397 1.806 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CN1C1CC1 ZINC000177121121 408525521 /nfs/dbraw/zinc/52/55/21/408525521.db2.gz UMKKDXRQWQXLLT-VHSXEESVSA-N 0 3 304.350 1.532 20 5 DDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000265270501 408600231 /nfs/dbraw/zinc/60/02/31/408600231.db2.gz GLKIWLCSIADWGC-CYBMUJFWSA-N 0 3 305.378 1.938 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CN1C1CC1 ZINC000184486866 408627255 /nfs/dbraw/zinc/62/72/55/408627255.db2.gz NHFFPKODVWPKTA-ZJUUUORDSA-N 0 3 304.350 1.532 20 5 DDBDHN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCOC1 ZINC000162742410 408730571 /nfs/dbraw/zinc/73/05/71/408730571.db2.gz PGFDIWIJGNGDGN-AAEUAGOBSA-N 0 3 319.361 1.499 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(CCN(C)C)CC1 ZINC000194772801 408795950 /nfs/dbraw/zinc/79/59/50/408795950.db2.gz LHKQYVINJASRFO-UHFFFAOYSA-N 0 3 320.393 1.223 20 5 DDBDHN CCN1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000249699165 408756551 /nfs/dbraw/zinc/75/65/51/408756551.db2.gz WSMVRVBBLCIGSJ-UHFFFAOYSA-N 0 3 303.322 1.249 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(OC[C@H](O)CN(C)C2CC2)c1 ZINC000290780819 408830769 /nfs/dbraw/zinc/83/07/69/408830769.db2.gz MXICEMYAPLZDIB-GFCCVEGCSA-N 0 3 324.333 1.215 20 5 DDBDHN C[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])CN(C)C ZINC000291668027 408904166 /nfs/dbraw/zinc/90/41/66/408904166.db2.gz DEQLDYLEIAVSEN-SNVBAGLBSA-N 0 3 315.395 1.608 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCOC[C@H]1C ZINC000277410507 408936016 /nfs/dbraw/zinc/93/60/16/408936016.db2.gz JOPXCAYRUKQIMQ-DGCLKSJQSA-N 0 3 307.350 1.856 20 5 DDBDHN C[C@@H]1COCC[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000277496515 408952665 /nfs/dbraw/zinc/95/26/65/408952665.db2.gz PDOQQJNLQUSEAL-RISCZKNCSA-N 0 3 319.361 1.499 20 5 DDBDHN COCC(C)(C)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000292099541 408980679 /nfs/dbraw/zinc/98/06/79/408980679.db2.gz HUFMFAYEKOQQBW-LBPRGKRZSA-N 0 3 312.366 1.691 20 5 DDBDHN COC[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000279011176 409131102 /nfs/dbraw/zinc/13/11/02/409131102.db2.gz FKOSCPJOQDOQDD-HUUCEWRRSA-N 0 3 310.350 1.757 20 5 DDBDHN COC[C@H](NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000279011175 409131121 /nfs/dbraw/zinc/13/11/21/409131121.db2.gz FKOSCPJOQDOQDD-GJZGRUSLSA-N 0 3 310.350 1.757 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCN2CCCC2)c1 ZINC000317613741 164028078 /nfs/dbraw/zinc/02/80/78/164028078.db2.gz VJCAHAGCBYMUCS-UHFFFAOYSA-N 0 3 307.350 1.913 20 5 DDBDHN C[C@H](CN1CCC[C@@H](C)C1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290684378 409486234 /nfs/dbraw/zinc/48/62/34/409486234.db2.gz SUOMGKJCRMMDKA-GHMZBOCLSA-N 0 3 321.381 1.621 20 5 DDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000353914489 409557950 /nfs/dbraw/zinc/55/79/50/409557950.db2.gz RSCQQWDXOVVLKO-OAHLLOKOSA-N 0 3 322.365 1.345 20 5 DDBDHN CC[C@H](CNS(C)(=O)=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296506321 409592457 /nfs/dbraw/zinc/59/24/57/409592457.db2.gz PHPRZTZLQVRMNA-ZYHUDNBSSA-N 0 3 315.395 1.573 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)n1 ZINC000331584518 409662077 /nfs/dbraw/zinc/66/20/77/409662077.db2.gz MXTZUVSNLJZRQY-NWDGAFQWSA-N 0 3 321.381 1.510 20 5 DDBDHN C[C@H](N[C@H]1CCCN(C)[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000342729204 409853275 /nfs/dbraw/zinc/85/32/75/409853275.db2.gz JPLSBIDUYWLTRU-AVGNSLFASA-N 0 3 320.393 1.994 20 5 DDBDHN C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)N1CCC(C)CC1 ZINC000067270112 298692625 /nfs/dbraw/zinc/69/26/25/298692625.db2.gz SYQGREKPCYAPHJ-GFCCVEGCSA-N 0 3 309.370 1.028 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](CCO)C(C)C ZINC000355061429 410277080 /nfs/dbraw/zinc/27/70/80/410277080.db2.gz VMYUIZYQAKKPCT-LBPRGKRZSA-N 0 3 309.366 1.838 20 5 DDBDHN COc1ccc(C(=O)N[C@@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343525033 410509737 /nfs/dbraw/zinc/50/97/37/410509737.db2.gz LSZZEVSEIMJNMJ-CMPLNLGQSA-N 0 3 307.350 1.816 20 5 DDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000359354890 410619413 /nfs/dbraw/zinc/61/94/13/410619413.db2.gz VEYHAIPMODNPCT-CYBMUJFWSA-N 0 3 318.377 1.673 20 5 DDBDHN C[C@H]1[C@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000337299228 410699779 /nfs/dbraw/zinc/69/97/79/410699779.db2.gz MGDUOFBPHNPWIR-STQMWFEESA-N 0 3 320.393 1.948 20 5 DDBDHN CCN1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301234100 410681458 /nfs/dbraw/zinc/68/14/58/410681458.db2.gz GUXYDRWVNZPVHD-SNVBAGLBSA-N 0 3 307.354 1.375 20 5 DDBDHN Cc1cn[nH]c1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000356122418 410847972 /nfs/dbraw/zinc/84/79/72/410847972.db2.gz HAGYRKHJGPVAEJ-NSHDSACASA-N 0 3 302.338 1.708 20 5 DDBDHN CN(CCC1CCOCC1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000132559456 196265464 /nfs/dbraw/zinc/26/54/64/196265464.db2.gz WRNSUKNDDYDBIG-UHFFFAOYSA-N 0 3 309.366 1.505 20 5 DDBDHN CC[C@]1(CO)CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000189663921 222051412 /nfs/dbraw/zinc/05/14/12/222051412.db2.gz YFCCRSQYJXZUGB-OAHLLOKOSA-N 0 3 307.350 1.431 20 5 DDBDHN Cc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375130605 418609164 /nfs/dbraw/zinc/60/91/64/418609164.db2.gz JASDOPRWXWDSAK-MNOVXSKESA-N 0 3 320.349 1.313 20 5 DDBDHN Cc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375130605 418609165 /nfs/dbraw/zinc/60/91/65/418609165.db2.gz JASDOPRWXWDSAK-MNOVXSKESA-N 0 3 320.349 1.313 20 5 DDBDHN CCN(CC)C[C@H](C)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000341781566 418626203 /nfs/dbraw/zinc/62/62/03/418626203.db2.gz WHQFSCHVIBZIQR-JTQLQIEISA-N 0 3 319.365 2.386 20 5 DDBDHN COC(=O)c1cnc(N2CC[C@@]3(CCN(C)C3)C2)c([N+](=O)[O-])c1 ZINC000368305464 418717821 /nfs/dbraw/zinc/71/78/21/418717821.db2.gz VZCQDLSTRJNEEB-OAHLLOKOSA-N 0 3 320.349 1.308 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCC(O[C@@H]3CCOC3)CC2)c1 ZINC000361444042 418654814 /nfs/dbraw/zinc/65/48/14/418654814.db2.gz GEHCIKVUKJSTJB-CQSZACIVSA-N 0 3 310.354 1.061 20 5 DDBDHN COc1ccc(NC(=O)CCN2C[C@@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411420299 418902698 /nfs/dbraw/zinc/90/26/98/418902698.db2.gz JIUDIBBQMPHMIF-QWRGUYRKSA-N 0 3 323.349 1.387 20 5 DDBDHN N[C@@H](CC1CCCCC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000423891138 227776546 /nfs/dbraw/zinc/77/65/46/227776546.db2.gz BGGCRLQQTCXASO-ZDUSSCGKSA-N 0 3 309.370 1.205 20 5 DDBDHN C[C@@H]1C[C@@H](CO)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000420948119 419378192 /nfs/dbraw/zinc/37/81/92/419378192.db2.gz VJWNIIKPZQWSPE-UMVBOHGHSA-N 0 3 324.377 1.285 20 5 DDBDHN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCN1C ZINC000421011131 419445675 /nfs/dbraw/zinc/44/56/75/419445675.db2.gz RZYMNIVETGQFCH-HNNXBMFYSA-N 0 3 320.393 1.584 20 5 DDBDHN C[C@@H]1[C@H](CO)CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000412079773 419633490 /nfs/dbraw/zinc/63/34/90/419633490.db2.gz NATDXKPYNVKAED-IPYPFGDCSA-N 0 3 324.377 1.427 20 5 DDBDHN Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)N(C)C)cc1 ZINC000299343850 229063279 /nfs/dbraw/zinc/06/32/79/229063279.db2.gz KWSNGBWKCGUPQH-GFCCVEGCSA-N 0 3 316.365 1.990 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CNCCC1(F)F ZINC000423698005 420130706 /nfs/dbraw/zinc/13/07/06/420130706.db2.gz MAELICUPCLDFCX-LBPRGKRZSA-N 0 3 313.304 1.939 20 5 DDBDHN COCCNCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423723256 420143873 /nfs/dbraw/zinc/14/38/73/420143873.db2.gz LIEXHNAYTHVVRT-UHFFFAOYSA-N 0 3 307.350 1.322 20 5 DDBDHN COCC[C@@]1(NCCOc2ccccc2[N+](=O)[O-])CCOC1 ZINC000447405195 420772755 /nfs/dbraw/zinc/77/27/55/420772755.db2.gz WTYAGIZDVVZNJP-OAHLLOKOSA-N 0 3 310.350 1.759 20 5 DDBDHN COc1cc(CNC[C@@]2(C)CCC(=O)N2)c([N+](=O)[O-])cc1O ZINC000453589468 420733757 /nfs/dbraw/zinc/73/37/57/420733757.db2.gz MXOIWSIHBUQSHK-CQSZACIVSA-N 0 3 309.322 1.067 20 5 DDBDHN CCOC[C@@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000459706765 420853466 /nfs/dbraw/zinc/85/34/66/420853466.db2.gz JEAHJLPCSPMOSU-GXTWGEPZSA-N 0 3 312.370 1.043 20 5 DDBDHN COc1ccc(C(=O)N[C@@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000449655984 421047281 /nfs/dbraw/zinc/04/72/81/421047281.db2.gz IRBAZTNQPOTBGV-LLVKDONJSA-N 0 3 315.276 1.330 20 5 DDBDHN COc1ccc(OCCN2CC[C@@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000488753102 421112136 /nfs/dbraw/zinc/11/21/36/421112136.db2.gz QHDPAOIMYJIDDM-NEPJUHHUSA-N 0 3 310.350 1.685 20 5 DDBDHN O=[N+]([O-])c1ccc2[nH]c(=NC[C@H]3CCCCN3CCO)[nH]c2c1 ZINC000450613304 421216947 /nfs/dbraw/zinc/21/69/47/421216947.db2.gz LQJFJAAUGADEBW-GFCCVEGCSA-N 0 3 319.365 1.152 20 5 DDBDHN O=C(CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)NCC1CC1 ZINC000580991454 421876676 /nfs/dbraw/zinc/87/66/76/421876676.db2.gz GWYONRVRHDTWNW-CHWSQXEVSA-N 0 3 321.381 1.391 20 5 DDBDHN CC(C)n1cc([C@@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000544469408 421844950 /nfs/dbraw/zinc/84/49/50/421844950.db2.gz RTQZRYZBVFWPGC-RISCZKNCSA-N 0 3 322.369 1.280 20 5 DDBDHN Cc1c(CC(=O)N2C[C@H]3CCN(C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000581768126 422042486 /nfs/dbraw/zinc/04/24/86/422042486.db2.gz HDXGPWWSONVRPA-HIFRSBDPSA-N 0 3 303.362 1.608 20 5 DDBDHN CN(C)[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1cccc(F)c1 ZINC000590569354 422320776 /nfs/dbraw/zinc/32/07/76/422320776.db2.gz QMKIHCURTQINJH-ZDUSSCGKSA-N 0 3 319.340 2.426 20 5 DDBDHN Cn1cc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000578381962 422558456 /nfs/dbraw/zinc/55/84/56/422558456.db2.gz WOARHHOFRQZDCP-UHFFFAOYSA-N 0 3 303.322 1.447 20 5 DDBDHN CCOc1cc(NCCN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000321133879 271027111 /nfs/dbraw/zinc/02/71/11/271027111.db2.gz DQUALRCSUQGLHI-UHFFFAOYSA-N 0 3 309.366 1.862 20 5 DDBDHN CN1CCN(CC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000344412921 272018551 /nfs/dbraw/zinc/01/85/51/272018551.db2.gz FFAPKUXCYXITIL-UHFFFAOYSA-N 0 3 319.409 1.454 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2N(C)CCCC2(C)C)n1 ZINC000344738695 272104993 /nfs/dbraw/zinc/10/49/93/272104993.db2.gz ZSXYMHLSRLKIHT-GFCCVEGCSA-N 0 3 323.397 1.661 20 5 DDBDHN CO[C@@H]1CCC[C@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000451630418 274063353 /nfs/dbraw/zinc/06/33/53/274063353.db2.gz JJFHOJHWCXMXGI-DGCLKSJQSA-N 0 3 307.350 1.999 20 5 DDBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@@H]1N1CCCC1 ZINC000275831718 278168552 /nfs/dbraw/zinc/16/85/52/278168552.db2.gz OFRMZEQPXRNZIC-RYUDHWBXSA-N 0 3 309.395 1.401 20 5 DDBDHN CCCNC(=O)CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447517674 278833776 /nfs/dbraw/zinc/83/37/76/278833776.db2.gz LWZUVJXAYLCMCZ-NWDGAFQWSA-N 0 3 309.370 1.391 20 5 DDBDHN CN1C[C@@H]2CCCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425286672 290281247 /nfs/dbraw/zinc/28/12/47/290281247.db2.gz QQBFEXNCMQDKRZ-SMDDNHRTSA-N 0 3 304.350 1.224 20 5 DDBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357918988 299019762 /nfs/dbraw/zinc/01/97/62/299019762.db2.gz ZKYZQTFJWIASOF-PHIMTYICSA-N 0 3 309.370 1.321 20 5 DDBDHN CCN(C)CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362769779 300136233 /nfs/dbraw/zinc/13/62/33/300136233.db2.gz OBDAWTSCYFVTFJ-UHFFFAOYSA-N 0 3 301.293 1.483 20 5 DDBDHN Cc1nnc(C2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)[nH]1 ZINC000362833350 300154386 /nfs/dbraw/zinc/15/43/86/300154386.db2.gz LOWDFSJVBYVIFQ-UHFFFAOYSA-N 0 3 305.342 1.134 20 5 DDBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377475392 302182739 /nfs/dbraw/zinc/18/27/39/302182739.db2.gz MBRLWJCLNUGEMC-ZIAGYGMSSA-N 0 3 319.361 1.117 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@H]1N(C)C ZINC000537924111 303381361 /nfs/dbraw/zinc/38/13/61/303381361.db2.gz OXSAQPAMUYJVCA-VXGBXAGGSA-N 0 3 312.395 1.051 20 5 DDBDHN C[C@H]1CN(CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCO1 ZINC000367255500 307089960 /nfs/dbraw/zinc/08/99/60/307089960.db2.gz XUOWVYTWYFJSNA-ZDUSSCGKSA-N 0 3 323.397 1.149 20 5 DDBDHN Cc1cc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000368532643 307104447 /nfs/dbraw/zinc/10/44/47/307104447.db2.gz JTZYGJSRWYPFPJ-CVEARBPZSA-N 0 3 305.378 1.939 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000374221002 307204240 /nfs/dbraw/zinc/20/42/40/307204240.db2.gz TYMFFXVXVZLTPF-CQSZACIVSA-N 0 3 319.409 1.514 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000376663594 307252361 /nfs/dbraw/zinc/25/23/61/307252361.db2.gz LJGVZJBHDXMSEJ-PWSUYJOCSA-N 0 3 320.349 1.170 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000376663594 307252362 /nfs/dbraw/zinc/25/23/62/307252362.db2.gz LJGVZJBHDXMSEJ-PWSUYJOCSA-N 0 3 320.349 1.170 20 5 DDBDHN C[C@@H]1CCN(CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000565959802 308039475 /nfs/dbraw/zinc/03/94/75/308039475.db2.gz TUVSDFDDUUNSQC-LLVKDONJSA-N 0 3 304.350 1.216 20 5 DDBDHN CN(C)[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1O ZINC000576477189 308317800 /nfs/dbraw/zinc/31/78/00/308317800.db2.gz CMMXAXMNTMXRPI-RYUDHWBXSA-N 0 3 319.317 1.088 20 5 DDBDHN NC(=O)C1(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CCOCC1 ZINC000576956796 308352728 /nfs/dbraw/zinc/35/27/28/308352728.db2.gz GQSRTXLGURMEPP-ZDUSSCGKSA-N 0 3 319.361 1.454 20 5 DDBDHN Cn1c(C(=O)Nc2cccc3c2CCNC3)ccc1[N+](=O)[O-] ZINC000387924364 325767853 /nfs/dbraw/zinc/76/78/53/325767853.db2.gz YRHMHYOHYYKNAI-UHFFFAOYSA-N 0 3 300.318 1.831 20 5 DDBDHN CN(C)CCN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccn1 ZINC000583212296 337273234 /nfs/dbraw/zinc/27/32/34/337273234.db2.gz MLIPXHINHVIXHW-UHFFFAOYSA-N 0 3 318.381 1.250 20 5 DDBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1ccc([N+](=O)[O-])cn1 ZINC000517484685 501057527 /nfs/dbraw/zinc/05/75/27/501057527.db2.gz VGKKCMJFIPZISG-GFCCVEGCSA-N 0 3 304.350 1.737 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000488503636 533727548 /nfs/dbraw/zinc/72/75/48/533727548.db2.gz KHFXJOFXWJRXJY-QMMMGPOBSA-N 0 3 301.293 1.482 20 5 DDBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CCN(C2CC2)C1 ZINC000452171275 533877653 /nfs/dbraw/zinc/87/76/53/533877653.db2.gz POLDLVLVTKBHCP-LLVKDONJSA-N 0 3 306.366 1.490 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCOC1(C)C ZINC000451241625 534339140 /nfs/dbraw/zinc/33/91/40/534339140.db2.gz JWHGHHALQAERNX-CYBMUJFWSA-N 0 3 307.350 1.999 20 5 DDBDHN CCO[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000451522229 528061419 /nfs/dbraw/zinc/06/14/19/528061419.db2.gz AWNKHJSKUMDDHU-OCCSQVGLSA-N 0 3 309.366 1.503 20 5 DDBDHN CC(C)[C@@H](N)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000292608669 528499279 /nfs/dbraw/zinc/49/92/79/528499279.db2.gz XFUZCBHTHLWSFW-CYBMUJFWSA-N 0 3 303.322 1.907 20 5 DDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(Cc2ccsc2)CC1 ZINC000981138682 697016172 /nfs/dbraw/zinc/01/61/72/697016172.db2.gz YCGFCVXQFGDGBV-CHWSQXEVSA-N 0 3 309.391 1.448 20 5 DDBDHN COC1(CO)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773945803 697825836 /nfs/dbraw/zinc/82/58/36/697825836.db2.gz PDBHOBGLJAASJC-AWEZNQCLSA-N 0 3 310.350 1.102 20 5 DDBDHN O=C(CN1CCCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000728569152 699449507 /nfs/dbraw/zinc/44/95/07/699449507.db2.gz NRJARWNWHRFNQC-UHFFFAOYSA-N 0 3 318.377 1.339 20 5 DDBDHN C[C@@]1(C(N)=O)CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000794709145 699826017 /nfs/dbraw/zinc/82/60/17/699826017.db2.gz CQBLKGSHFSOTSU-CQSZACIVSA-N 0 3 303.322 1.099 20 5 DDBDHN CC(COC(=O)Cc1ccc(NC(=O)C2CC2)cc1)[N+](=O)[O-] ZINC000813103419 702291932 /nfs/dbraw/zinc/29/19/32/702291932.db2.gz QDCZDMIXTHOVOJ-JTQLQIEISA-N 0 3 306.318 1.786 20 5 DDBDHN CC(COC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C)[N+](=O)[O-] ZINC000813103764 702292188 /nfs/dbraw/zinc/29/21/88/702292188.db2.gz SSAZZTYYROIRFA-BDAKNGLRSA-N 0 3 304.368 1.142 20 5 DDBDHN COc1ccc(C2(C(=O)OCC(C)[N+](=O)[O-])CCOCC2)cc1 ZINC000813105778 702292872 /nfs/dbraw/zinc/29/28/72/702292872.db2.gz ULDPIIAFSLDAAQ-LBPRGKRZSA-N 0 3 323.345 1.952 20 5 DDBDHN CC1(C)C[C@H](O)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000879614942 706738755 /nfs/dbraw/zinc/73/87/55/706738755.db2.gz CKUFJPJTQLUXPA-UONOGXRCSA-N 0 3 324.377 1.427 20 5 DDBDHN O=C1O[C@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000848677637 703574711 /nfs/dbraw/zinc/57/47/11/703574711.db2.gz FHLIKWFNDDRVCR-KGLIPLIRSA-N 0 3 321.333 1.201 20 5 DDBDHN CC(COC(=O)COc1ccc(Br)cn1)[N+](=O)[O-] ZINC000870378873 704015486 /nfs/dbraw/zinc/01/54/86/704015486.db2.gz ZAAJMSYSWFQIBI-ZETCQYMHSA-N 0 3 319.111 1.431 20 5 DDBDHN CCC[NH2+]CC[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764118 704621757 /nfs/dbraw/zinc/62/17/57/704621757.db2.gz IHWXHIGYQVOOEG-UHFFFAOYSA-N 0 3 317.292 1.682 20 5 DDBDHN COc1cccc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874827846 705185877 /nfs/dbraw/zinc/18/58/77/705185877.db2.gz DULZTCRMSKXMSF-QWHCGFSZSA-N 0 3 319.361 1.912 20 5 DDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000874846915 705201548 /nfs/dbraw/zinc/20/15/48/705201548.db2.gz LNBKUOHJJLRLNO-GJZGRUSLSA-N 0 3 319.361 1.669 20 5 DDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000863032405 705852471 /nfs/dbraw/zinc/85/24/71/705852471.db2.gz ODUKBJYEQVPWBM-CYBMUJFWSA-N 0 3 318.377 1.924 20 5 DDBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CCN(C2CC2)C1 ZINC000865006260 706324088 /nfs/dbraw/zinc/32/40/88/706324088.db2.gz HGPWXLSHZCGZIP-NSHDSACASA-N 0 3 307.325 1.629 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](CCO)c1cccs1 ZINC000878409311 706379937 /nfs/dbraw/zinc/37/99/37/706379937.db2.gz JDAYIIOQCMSLCL-NSHDSACASA-N 0 3 310.379 1.875 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccnc(F)c1 ZINC000872223784 707336282 /nfs/dbraw/zinc/33/62/82/707336282.db2.gz XVGSCDXCBJIIFC-GFCCVEGCSA-N 0 3 321.308 1.658 20 5 DDBDHN O=C(NC[C@H](c1ccco1)N1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839463510 708049455 /nfs/dbraw/zinc/04/94/55/708049455.db2.gz IOWFRQCHDKBTCD-JHJVBQTASA-N 0 3 307.350 1.588 20 5 DDBDHN Cc1cccc(N2CC[C@@H]3[C@@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC000897220929 708258706 /nfs/dbraw/zinc/25/87/06/708258706.db2.gz ZSKMHWBJKIKQDQ-KGLIPLIRSA-N 0 3 305.378 1.939 20 5 DDBDHN C[C@H](C(=O)N(C)CCN(C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000912604635 713044675 /nfs/dbraw/zinc/04/46/75/713044675.db2.gz LZFASAJDFLGSFM-LBPRGKRZSA-N 0 3 309.366 1.081 20 5 DDBDHN CCN1CCN([C@H](C)CNc2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000891830171 710304797 /nfs/dbraw/zinc/30/47/97/710304797.db2.gz VJGYITLROWBSTJ-GFCCVEGCSA-N 0 3 323.397 1.436 20 5 DDBDHN CC(COC(=O)C[C@H]1CCC2(CCOCC2)CO1)[N+](=O)[O-] ZINC000893046395 710546708 /nfs/dbraw/zinc/54/67/08/710546708.db2.gz ANRHDUKWNDCGPR-NWDGAFQWSA-N 0 3 301.339 1.561 20 5 DDBDHN CN1CCC(N(CCO)C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000911937502 711077443 /nfs/dbraw/zinc/07/74/43/711077443.db2.gz NMYUSCDBVBXQSZ-UHFFFAOYSA-N 0 3 313.379 1.185 20 5 DDBDHN COc1c(O)ccc(CNCCN(C)CC(F)F)c1[N+](=O)[O-] ZINC000895671221 711574129 /nfs/dbraw/zinc/57/41/29/711574129.db2.gz GATSBLDTVZIZSP-UHFFFAOYSA-N 0 3 319.308 1.596 20 5 DDBDHN CC[C@H](NCC[N+](=O)[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000905170612 711958297 /nfs/dbraw/zinc/95/82/97/711958297.db2.gz RBHWBQFOHKUCEV-JKSUJKDBSA-N 0 3 307.394 1.532 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1N[C@@H]1CCCN(C3COC3)C1)CNC2 ZINC001168371312 743560838 /nfs/dbraw/zinc/56/08/38/743560838.db2.gz DCLHBOHADNCAPY-CYBMUJFWSA-N 0 3 318.377 1.473 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCNCc2cnc3cnccn23)cc1 ZINC001200127041 748141935 /nfs/dbraw/zinc/14/19/35/748141935.db2.gz OJMXZRRAOCWQOG-UHFFFAOYSA-N 0 3 313.317 1.806 20 5 DDBDHN COc1cc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)c([N+](=O)[O-])cc1[O-] ZINC001200691768 748321055 /nfs/dbraw/zinc/32/10/55/748321055.db2.gz HEWPVZFYRDEGRN-CMPLNLGQSA-N 0 3 310.350 1.950 20 5 DDBDHN Cc1ccc(CNC[C@@H]2COC3(CCOCC3)O2)cc1[N+](=O)[O-] ZINC001201676401 748566212 /nfs/dbraw/zinc/56/62/12/748566212.db2.gz PXOJWOLEZLERTL-CQSZACIVSA-N 0 3 322.361 1.915 20 5 DDBDHN CC(C)C(=O)N1CCC(CNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000997546567 751091416 /nfs/dbraw/zinc/09/14/16/751091416.db2.gz QYPPJURSYPEBIZ-UHFFFAOYSA-N 0 3 323.397 1.313 20 5 DDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2nccn2CC(F)(F)F)C1 ZINC001168991955 762166099 /nfs/dbraw/zinc/16/60/99/762166099.db2.gz INLLCBJQPJSJIR-NXEZZACHSA-N 0 3 306.288 1.980 20 5 DDBDHN C[C@H](Nc1ncc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CNCCO1 ZINC001170566181 768167057 /nfs/dbraw/zinc/16/70/57/768167057.db2.gz DVMMFALMUKLILM-OIBJUYFYSA-N 0 3 320.271 1.797 20 5 DDBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCC2=CCCCC2)C1 ZINC001042711534 764378948 /nfs/dbraw/zinc/37/89/48/764378948.db2.gz WABIRVOLJSWDIS-HUUCEWRRSA-N 0 3 307.394 1.685 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2CNCCO2)c1 ZINC001170575829 768241237 /nfs/dbraw/zinc/24/12/37/768241237.db2.gz SBGFBYORSCKABM-RNCFNFMXSA-N 0 3 309.322 1.170 20 5 DDBDHN C[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170576261 768249239 /nfs/dbraw/zinc/24/92/39/768249239.db2.gz ZOOUQTOLUYAFDI-IINYFYTJSA-N 0 3 302.334 1.932 20 5 DDBDHN O=C(CCc1cn[nH]c1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001135045482 771297665 /nfs/dbraw/zinc/29/76/65/771297665.db2.gz DFZGSVGLMKBSPC-UHFFFAOYSA-N 0 3 317.349 1.157 20 5 DDBDHN Cc1nc[nH]c1CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001149124543 773154725 /nfs/dbraw/zinc/15/47/25/773154725.db2.gz UFXYRUIYHGUCTN-UHFFFAOYSA-N 0 3 317.349 1.075 20 5 DDBDHN CCN(CC)CC(=O)NCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001093646499 774946293 /nfs/dbraw/zinc/94/62/93/774946293.db2.gz CHDBIFDVVFXUAU-UHFFFAOYSA-N 0 3 309.370 1.168 20 5 DDBDHN CCN(C)C(C)(C)C(=O)NCCCNc1ncccc1[N+](=O)[O-] ZINC001094639966 776161347 /nfs/dbraw/zinc/16/13/47/776161347.db2.gz KBGNTQQHBASUBZ-UHFFFAOYSA-N 0 3 323.397 1.638 20 5 DDBDHN CCN1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001178857450 779213312 /nfs/dbraw/zinc/21/33/12/779213312.db2.gz VLERTWXNAUWGJQ-AWEZNQCLSA-N 0 3 321.377 1.820 20 5 DDBDHN COc1cc2ncnc(-n3nc(CN)cc3C)c2cc1[N+](=O)[O-] ZINC001156039830 862660628 /nfs/dbraw/zinc/66/06/28/862660628.db2.gz WOCJDZVPSQBYGU-UHFFFAOYSA-N 0 3 314.305 1.499 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC2(CC1)CNCCO2 ZINC001122233261 858720370 /nfs/dbraw/zinc/72/03/70/858720370.db2.gz HZVSHIJJRXVWTE-UHFFFAOYSA-N 0 3 319.361 1.498 20 5 DDBDHN O=C(CO[C@@H]1CN2CCC1CC2)OCc1ccc([N+](=O)[O-])cc1 ZINC001224985774 881624744 /nfs/dbraw/zinc/62/47/44/881624744.db2.gz ABXVAEWIKBZYAC-OAHLLOKOSA-N 0 3 320.345 1.749 20 5 DDBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1nc(N)nc(N)n1 ZINC001162095605 867246871 /nfs/dbraw/zinc/24/68/71/867246871.db2.gz VSLHHTWKYGYUAO-UHFFFAOYSA-N 0 3 309.717 1.234 20 5 DDBDHN CC(C)=C(C)CC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001164035042 868903088 /nfs/dbraw/zinc/90/30/88/868903088.db2.gz SEVJWPQAMHTEIZ-UHFFFAOYSA-N 0 3 323.397 1.671 20 5 DDBDHN COC(=O)/C=C/c1ccc(NCCN(C)CCO)c([N+](=O)[O-])c1 ZINC001164120551 868952787 /nfs/dbraw/zinc/95/27/87/868952787.db2.gz WVBPIMCMSALUMB-GQCTYLIASA-N 0 3 323.349 1.117 20 5 DDBDHN CN(CCO)CCN(C)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001336693782 869097235 /nfs/dbraw/zinc/09/72/35/869097235.db2.gz RWADVPQNDQVQRP-UHFFFAOYSA-N 0 3 321.299 1.974 20 5 DDBDHN CCn1c(CCC[N+](=O)[O-])nnc1N1CCN(CC(C)C)CC1 ZINC001340882783 871407161 /nfs/dbraw/zinc/40/71/61/871407161.db2.gz BNXJGSXGXTXKOC-UHFFFAOYSA-N 0 3 324.429 1.285 20 5 DDBDHN CN(CCO)CCN(C)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC001343190190 872527250 /nfs/dbraw/zinc/52/72/50/872527250.db2.gz YTIBGUFRTLMXOK-UHFFFAOYSA-N 0 3 310.379 1.565 20 5 DDBDHN CC(COC(=O)c1cc2nccc(C(F)(F)F)n2n1)[N+](=O)[O-] ZINC001345008287 873218545 /nfs/dbraw/zinc/21/85/45/873218545.db2.gz YXQYAGVEKXETTG-ZCFIWIBFSA-N 0 3 318.211 1.570 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCN(C)CCO ZINC001216538378 876971144 /nfs/dbraw/zinc/97/11/44/876971144.db2.gz PNQUFNJNFMTXDH-UHFFFAOYSA-N 0 3 310.354 1.257 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H]1CCCN(C)C1 ZINC001223449783 880967328 /nfs/dbraw/zinc/96/73/28/880967328.db2.gz GWXQBQGLCCMOPE-ZDUSSCGKSA-N 0 3 308.334 1.992 20 5 DDBDHN C[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000249002296 282125873 /nfs/dbraw/zinc/12/58/73/282125873.db2.gz YYGXMRRHQPYISJ-DYEKYZERSA-N 0 3 310.350 1.037 20 5 DDBDHN NC(=O)C1(NCCOc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000088544623 185257181 /nfs/dbraw/zinc/25/71/81/185257181.db2.gz ZKZSQRDDQFIEDX-UHFFFAOYSA-N 0 3 307.350 1.751 20 5 DDBDHN COc1cc(C(=O)NC[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000108339287 185507204 /nfs/dbraw/zinc/50/72/04/185507204.db2.gz JKWZVHJSGZOIHU-NSHDSACASA-N 0 3 307.350 1.675 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCN(C2CC2)C1 ZINC000358406306 299143845 /nfs/dbraw/zinc/14/38/45/299143845.db2.gz CWWGJYUZEAZYNL-LLVKDONJSA-N 0 3 307.325 1.629 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272606282 210004623 /nfs/dbraw/zinc/00/46/23/210004623.db2.gz JRFRMVBCCCPRSP-DZGCQCFKSA-N 0 3 303.362 1.690 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358466567 299162224 /nfs/dbraw/zinc/16/22/24/299162224.db2.gz XROBKILXXXNTNF-OAHLLOKOSA-N 0 3 322.365 1.400 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@](C)(O)CCOC ZINC000172072798 198034632 /nfs/dbraw/zinc/03/46/32/198034632.db2.gz FKFPPLRFVCBWMM-OAHLLOKOSA-N 0 3 312.366 1.871 20 5 DDBDHN CC(C)(C)CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000056042963 352757074 /nfs/dbraw/zinc/75/70/74/352757074.db2.gz QBVJAVBBQUDJCM-UHFFFAOYSA-N 0 3 323.397 1.372 20 5 DDBDHN CCN(CC)CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000070925323 353185998 /nfs/dbraw/zinc/18/59/98/353185998.db2.gz RWTOTGYQJSPSGP-UHFFFAOYSA-N 0 3 320.393 1.585 20 5 DDBDHN CN(CC(=O)NC[C@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC000080127674 353592579 /nfs/dbraw/zinc/59/25/79/353592579.db2.gz UNFDVFSHWBCPIZ-CYBMUJFWSA-N 0 3 320.393 1.489 20 5 DDBDHN COc1cc(C(=O)N[C@H](CN)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000401760288 354667108 /nfs/dbraw/zinc/66/71/08/354667108.db2.gz URTZXFXMDHMRTN-SECBINFHSA-N 0 3 307.228 1.223 20 5 DDBDHN Cc1cc(NCC[C@]2(O)CCOC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000404224567 354674762 /nfs/dbraw/zinc/67/47/62/354674762.db2.gz KOOHTLQBYMDYGQ-INIZCTEOSA-N 0 3 317.345 1.827 20 5 DDBDHN CCOc1cc(N2CCO[C@@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000585783577 354842202 /nfs/dbraw/zinc/84/22/02/354842202.db2.gz BDAHJNKVCRXLMR-LSDHHAIUSA-N 0 3 321.377 1.903 20 5 DDBDHN O=C1NC2(CO1)CCN(CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000495142623 235131384 /nfs/dbraw/zinc/13/13/84/235131384.db2.gz WKEAVLHIJUQVKC-UHFFFAOYSA-N 0 3 321.333 1.548 20 5 DDBDHN CCCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1 ZINC000592833239 355708032 /nfs/dbraw/zinc/70/80/32/355708032.db2.gz XKDAVOJZALXMDM-AWEZNQCLSA-N 0 3 321.377 1.916 20 5 DDBDHN C[C@H](N[C@H]1CCc2c(nnn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000594519948 356241483 /nfs/dbraw/zinc/24/14/83/356241483.db2.gz HLQFJHPYORUUJZ-JQWIXIFHSA-N 0 3 301.350 1.931 20 5 DDBDHN CCNC(=O)N1CC[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000565215526 304054202 /nfs/dbraw/zinc/05/42/02/304054202.db2.gz BDVNASIAICEPDM-FZMZJTMJSA-N 0 3 318.377 1.976 20 5 DDBDHN CCOC[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081519135 192277907 /nfs/dbraw/zinc/27/79/07/192277907.db2.gz ZIRMKDXYAXURSF-ZFWWWQNUSA-N 0 3 324.377 1.693 20 5 DDBDHN CCC[C@@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236925278 202075471 /nfs/dbraw/zinc/07/54/71/202075471.db2.gz IHOATNSVZLIYEK-CQSZACIVSA-N 0 3 306.366 1.371 20 5 DDBDHN Cc1c(CN)c(NC(=O)CNc2ccccc2[N+](=O)[O-])nn1C ZINC000595960893 356724583 /nfs/dbraw/zinc/72/45/83/356724583.db2.gz GNXDXNXULPFEHH-UHFFFAOYSA-N 0 3 318.337 1.146 20 5 DDBDHN CCOc1cc(CN(C)C[C@H](C)C(=O)NC)ccc1[N+](=O)[O-] ZINC000276914505 213173159 /nfs/dbraw/zinc/17/31/59/213173159.db2.gz NZJXXQAJMTUHCX-NSHDSACASA-N 0 3 309.366 1.807 20 5 DDBDHN NC(=O)c1cc(N2CC[C@H](N3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000596139087 356788368 /nfs/dbraw/zinc/78/83/68/356788368.db2.gz BELYAKYNOWYGHC-LBPRGKRZSA-N 0 3 302.334 1.144 20 5 DDBDHN O=[N+]([O-])c1cnc(N2CCC(N3CCCOCC3)CC2)nc1 ZINC000596268650 356838712 /nfs/dbraw/zinc/83/87/12/356838712.db2.gz NPJUGDNEVDTDMK-UHFFFAOYSA-N 0 3 307.354 1.076 20 5 DDBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1cccc([N+](=O)[O-])c1N)C2 ZINC000597716644 357300142 /nfs/dbraw/zinc/30/01/42/357300142.db2.gz RAJXVZFYIVNQSF-INIZCTEOSA-N 0 3 318.377 1.735 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000597926259 357385256 /nfs/dbraw/zinc/38/52/56/357385256.db2.gz WYGICCFJOROFKG-NSHDSACASA-N 0 3 306.366 1.901 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CN2CCC(C)CC2)n1 ZINC000598262862 357513084 /nfs/dbraw/zinc/51/30/84/357513084.db2.gz MYEYCSWOBDYSEZ-GFCCVEGCSA-N 0 3 323.397 1.661 20 5 DDBDHN CNc1c(C(=O)N2CCN[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000598573759 357636852 /nfs/dbraw/zinc/63/68/52/357636852.db2.gz OFYUEBBTSIDQKV-GFCCVEGCSA-N 0 3 306.366 1.707 20 5 DDBDHN CN(C)[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H]1O ZINC000599079466 357808818 /nfs/dbraw/zinc/80/88/18/357808818.db2.gz GAFWUTUAHRZJJK-KBPBESRZSA-N 0 3 302.334 1.254 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1COCCN1C ZINC000599004613 357790695 /nfs/dbraw/zinc/79/06/95/357790695.db2.gz UQTQXKQFGABDTL-CQSZACIVSA-N 0 3 309.366 1.414 20 5 DDBDHN Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C2CCCCC2)c1[N+](=O)[O-] ZINC000600227489 358162519 /nfs/dbraw/zinc/16/25/19/358162519.db2.gz DBHRLEXFSZGEKG-LBPRGKRZSA-N 0 3 321.381 1.763 20 5 DDBDHN O=C1C(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1C1CCC1 ZINC000601082998 358398399 /nfs/dbraw/zinc/39/83/99/358398399.db2.gz XPDDPHOETRQNDI-CYBMUJFWSA-N 0 3 324.358 1.522 20 5 DDBDHN Cn1c(C(=O)N2CCCc3cccc(CN)c32)ccc1[N+](=O)[O-] ZINC000602540779 359035849 /nfs/dbraw/zinc/03/58/49/359035849.db2.gz SEVXASWHHMTYHC-UHFFFAOYSA-N 0 3 314.345 1.985 20 5 DDBDHN C[C@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)N(C)C ZINC000602629461 359084998 /nfs/dbraw/zinc/08/49/98/359084998.db2.gz HPIYWNAXMMEQHE-NSHDSACASA-N 0 3 321.381 1.025 20 5 DDBDHN C[C@H]1CC[C@H](NCCc2ccc([N+](=O)[O-])cc2)CS1(=O)=O ZINC000602712508 359143093 /nfs/dbraw/zinc/14/30/93/359143093.db2.gz YWZKBMQYHYJFBD-AAEUAGOBSA-N 0 3 312.391 1.693 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN(Cc1cnn(C)c1)CC(C)C ZINC000602839424 359228791 /nfs/dbraw/zinc/22/87/91/359228791.db2.gz FCSRCNHHCRCBDT-UHFFFAOYSA-N 0 3 320.397 1.991 20 5 DDBDHN CS[C@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000602797268 359198965 /nfs/dbraw/zinc/19/89/65/359198965.db2.gz IBPQQAYJLGVXTI-NEPJUHHUSA-N 0 3 313.427 1.077 20 5 DDBDHN CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C(C)(C)C ZINC000602873790 359257120 /nfs/dbraw/zinc/25/71/20/359257120.db2.gz LICVFUASNVVYBI-CQSZACIVSA-N 0 3 322.409 1.419 20 5 DDBDHN Cn1cc(C[C@@H]2CCC[C@H]2NCc2cn(C)nc2[N+](=O)[O-])cn1 ZINC000602894403 359276994 /nfs/dbraw/zinc/27/69/94/359276994.db2.gz GMXZYSMTSRUUJT-GXTWGEPZSA-N 0 3 318.381 1.563 20 5 DDBDHN CN(C)CCc1cn(CCOc2cccc([N+](=O)[O-])c2)nn1 ZINC000603202104 359476958 /nfs/dbraw/zinc/47/69/58/359476958.db2.gz URJKXXCLSMFCCH-UHFFFAOYSA-N 0 3 305.338 1.369 20 5 DDBDHN CCN(CC)CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188572320 200268674 /nfs/dbraw/zinc/26/86/74/200268674.db2.gz GPBKOGUCBRKKMN-UHFFFAOYSA-N 0 3 307.350 1.526 20 5 DDBDHN CN1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000609797419 360350984 /nfs/dbraw/zinc/35/09/84/360350984.db2.gz ZLKBVHZKVKHWFZ-AWEZNQCLSA-N 0 3 305.382 1.206 20 5 DDBDHN C[C@@H](NC(=O)[C@@H]1CN2CCN1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000611201348 360657626 /nfs/dbraw/zinc/65/76/26/360657626.db2.gz UAPCPWTVCHOIQV-DOMZBBRYSA-N 0 3 318.377 1.162 20 5 DDBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000619566048 364063726 /nfs/dbraw/zinc/06/37/26/364063726.db2.gz VZBMFVRTDITFLG-CYBMUJFWSA-N 0 3 313.379 1.185 20 5 DDBDHN C[C@@H](NC(=O)C[C@@H]1CSCCN1)c1cccc([N+](=O)[O-])c1 ZINC000091135439 193001740 /nfs/dbraw/zinc/00/17/40/193001740.db2.gz KDNRZEQWCOKVOO-ZYHUDNBSSA-N 0 3 309.391 1.867 20 5 DDBDHN C[C@@H](N)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000261802761 203119735 /nfs/dbraw/zinc/11/97/35/203119735.db2.gz LCXVJXIWARBILK-SSDOTTSWSA-N 0 3 320.271 1.489 20 5 DDBDHN CCN1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000264763363 204138498 /nfs/dbraw/zinc/13/84/98/204138498.db2.gz MWVPVVXMRUVCBE-UHFFFAOYSA-N 0 3 321.377 1.918 20 5 DDBDHN CC(C)Oc1nc(N2CCCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000566808049 304183075 /nfs/dbraw/zinc/18/30/75/304183075.db2.gz ZFJXXYJULHHHJX-UHFFFAOYSA-N 0 3 324.381 1.281 20 5 DDBDHN C[C@H](NC[C@H](O)COC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000567123739 304198685 /nfs/dbraw/zinc/19/86/85/304198685.db2.gz ASLNBIVQSVQECH-VBNZEHGJSA-N 0 3 324.377 1.802 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000334075898 249206055 /nfs/dbraw/zinc/20/60/55/249206055.db2.gz CRUROQPVJLBCGG-QWRGUYRKSA-N 0 3 307.350 1.816 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)[C@@H]1CCOC1 ZINC000337220610 249396541 /nfs/dbraw/zinc/39/65/41/249396541.db2.gz LTVLRFWWEADULH-NWDGAFQWSA-N 0 3 307.350 1.856 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268245212 206574987 /nfs/dbraw/zinc/57/49/87/206574987.db2.gz VYBAKZSZCWKZTC-CABZTGNLSA-N 0 3 321.381 1.483 20 5 DDBDHN O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc([N+](=O)[O-])n[n-]1 ZINC000285077622 218282378 /nfs/dbraw/zinc/28/23/78/218282378.db2.gz RUCPQXRSHYCBEH-LLVKDONJSA-N 0 3 319.321 1.478 20 5 DDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000057712000 184048546 /nfs/dbraw/zinc/04/85/46/184048546.db2.gz JNVXCUSLWFWLCT-SECBINFHSA-N 0 3 322.321 1.716 20 5 DDBDHN C[C@@H]1CCC[C@H](C)N1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000341097795 251378729 /nfs/dbraw/zinc/37/87/29/251378729.db2.gz ISXWOGSQCWRASM-PHIMTYICSA-N 0 3 321.381 1.764 20 5 DDBDHN Cc1nn(C)c(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000269104747 207243736 /nfs/dbraw/zinc/24/37/36/207243736.db2.gz BLXKJRCGHSHNLZ-NEPJUHHUSA-N 0 3 321.381 1.193 20 5 DDBDHN CN(C)C(=O)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065208812 184314534 /nfs/dbraw/zinc/31/45/34/184314534.db2.gz KTSISZPENPFPES-UHFFFAOYSA-N 0 3 321.377 1.774 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2noc(N3CCN4CCC[C@H]4C3)n2)cc1 ZINC000486955871 285106947 /nfs/dbraw/zinc/10/69/47/285106947.db2.gz MDKIUHFPLHVWCB-ZDUSSCGKSA-N 0 3 315.333 1.929 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@H](C)C2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000272994087 210373191 /nfs/dbraw/zinc/37/31/91/210373191.db2.gz QJPWEGMZMBLCHK-SNVBAGLBSA-N 0 3 321.381 1.651 20 5 DDBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000272969448 210352400 /nfs/dbraw/zinc/35/24/00/210352400.db2.gz BETPXVWPUCPMJR-UONOGXRCSA-N 0 3 324.377 1.835 20 5 DDBDHN C[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1(F)F ZINC000289783090 221222701 /nfs/dbraw/zinc/22/27/01/221222701.db2.gz LVOHORSOVGMZFO-ONGXEEELSA-N 0 3 304.297 1.129 20 5 DDBDHN COc1c(C(=O)N(C)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000331034296 533386422 /nfs/dbraw/zinc/38/64/22/533386422.db2.gz YCCFANBPNMFRHZ-UHFFFAOYSA-N 0 3 307.350 1.770 20 5 DDBDHN COc1ccc(CNC(=O)[C@@H]2C[C@H](C)CCN2)cc1[N+](=O)[O-] ZINC000423055131 533640895 /nfs/dbraw/zinc/64/08/95/533640895.db2.gz CSWIQWSTCSROEK-PWSUYJOCSA-N 0 3 307.350 1.608 20 5 DDBDHN O=C(CNCCc1ccc([N+](=O)[O-])cc1)NCC(F)(F)F ZINC000049309870 407118085 /nfs/dbraw/zinc/11/80/85/407118085.db2.gz QZSKCCGGVCUYIG-UHFFFAOYSA-N 0 3 305.256 1.405 20 5 DDBDHN Cn1ccnc1C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000123721905 407337150 /nfs/dbraw/zinc/33/71/50/407337150.db2.gz GIWNPGBYNHRANB-ZDUSSCGKSA-N 0 3 318.381 1.480 20 5 DDBDHN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000111304072 407407046 /nfs/dbraw/zinc/40/70/46/407407046.db2.gz AAIGBFRZURKLBV-SSDOTTSWSA-N 0 3 307.759 1.264 20 5 DDBDHN CCC(CC)(C[NH3+])[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000111832265 407417256 /nfs/dbraw/zinc/41/72/56/407417256.db2.gz HCEKVTFSYLDZOI-UHFFFAOYSA-N 0 3 315.395 1.699 20 5 DDBDHN CN(C[C@H]1CCOC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000178780323 407599232 /nfs/dbraw/zinc/59/92/32/407599232.db2.gz FHUVDBOOGVKANM-IUODEOHRSA-N 0 3 319.361 1.668 20 5 DDBDHN COCCCN(C)CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000152327503 407611663 /nfs/dbraw/zinc/61/16/63/407611663.db2.gz ZVVCXZNXDOLNSV-UHFFFAOYSA-N 0 3 313.329 1.432 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCNC[C@@H]1c1nccn1C ZINC000261923438 407676352 /nfs/dbraw/zinc/67/63/52/407676352.db2.gz BXRPPSNIWXFGIT-OAHLLOKOSA-N 0 3 315.377 1.783 20 5 DDBDHN O=C(NC[C@@H]1NCCc2ccccc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000262575894 407871220 /nfs/dbraw/zinc/87/12/20/407871220.db2.gz YEPJTURCHKBAII-ZDUSSCGKSA-N 0 3 300.318 1.540 20 5 DDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)N(C)C ZINC000272334629 407872964 /nfs/dbraw/zinc/87/29/64/407872964.db2.gz WBYOJELSNWVYKN-MRVPVSSYSA-N 0 3 317.292 1.876 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000268216220 407951452 /nfs/dbraw/zinc/95/14/52/407951452.db2.gz PNXGBLYEUFLPCL-JOYOIKCWSA-N 0 3 304.350 1.390 20 5 DDBDHN C[C@H]1NCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000262782428 407927579 /nfs/dbraw/zinc/92/75/79/407927579.db2.gz LSMIWGQSSIFKNY-OLZOCXBDSA-N 0 3 320.393 1.996 20 5 DDBDHN Cc1c(CN(C)CCCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000174714733 407982467 /nfs/dbraw/zinc/98/24/67/407982467.db2.gz VZRGYHJDBASIKZ-UHFFFAOYSA-N 0 3 320.437 1.973 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000272672219 408009338 /nfs/dbraw/zinc/00/93/38/408009338.db2.gz TYOQGPOYXPPVKK-QWRGUYRKSA-N 0 3 321.381 1.608 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000272672219 408009343 /nfs/dbraw/zinc/00/93/43/408009343.db2.gz TYOQGPOYXPPVKK-QWRGUYRKSA-N 0 3 321.381 1.608 20 5 DDBDHN Cc1c(CC(=O)N2CCC[C@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000119518775 408086030 /nfs/dbraw/zinc/08/60/30/408086030.db2.gz YQUYUPITNLPMMG-AWEZNQCLSA-N 0 3 305.378 1.998 20 5 DDBDHN C[C@@H](N[C@@H](CC(N)=O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000181934255 408055814 /nfs/dbraw/zinc/05/58/14/408055814.db2.gz GRWSKKQOZHZGRM-ABAIWWIYSA-N 0 3 321.377 1.916 20 5 DDBDHN C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000273308891 408146877 /nfs/dbraw/zinc/14/68/77/408146877.db2.gz OPSKSRBUNHAMHT-BXUZGUMPSA-N 0 3 320.349 1.419 20 5 DDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000121246408 408171128 /nfs/dbraw/zinc/17/11/28/408171128.db2.gz JFAWDLMMMDJZQS-WFASDCNBSA-N 0 3 305.378 1.936 20 5 DDBDHN CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCCN(C)C1 ZINC000151105422 408256127 /nfs/dbraw/zinc/25/61/27/408256127.db2.gz AKIAJQADTDQWAD-NSHDSACASA-N 0 3 317.349 1.637 20 5 DDBDHN CCN(CCNC(=O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000263682052 408203797 /nfs/dbraw/zinc/20/37/97/408203797.db2.gz FOZPCMUDMVCLIR-UHFFFAOYSA-N 0 3 307.350 1.574 20 5 DDBDHN CN(C)C[C@@H]1CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000263917227 408313742 /nfs/dbraw/zinc/31/37/42/408313742.db2.gz NJGZNXLHCYJEQC-ZDUSSCGKSA-N 0 3 307.350 1.526 20 5 DDBDHN CC[C@@H](NCCC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000159251886 408393723 /nfs/dbraw/zinc/39/37/23/408393723.db2.gz XEIOYVODWLTCNO-OAHLLOKOSA-N 0 3 321.377 1.884 20 5 DDBDHN CC(C)N1CCC[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000274505625 408432671 /nfs/dbraw/zinc/43/26/71/408432671.db2.gz PZGDAKWDDVMJFT-GFCCVEGCSA-N 0 3 306.366 1.780 20 5 DDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)NCCN1CCCCC1 ZINC000270471815 408542467 /nfs/dbraw/zinc/54/24/67/408542467.db2.gz ZGUDVIXQSBWHQV-UHFFFAOYSA-N 0 3 320.393 1.922 20 5 DDBDHN Cc1c(C(=O)NCCCN2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000265441161 408652754 /nfs/dbraw/zinc/65/27/54/408652754.db2.gz ISVPPYZEXYKKSH-UHFFFAOYSA-N 0 3 321.377 1.480 20 5 DDBDHN O=[N+]([O-])c1ccc(OC[C@H]2CNCCO2)c(C(F)(F)F)c1 ZINC000164105510 408795577 /nfs/dbraw/zinc/79/55/77/408795577.db2.gz KUHJVRZMOSYLGF-SECBINFHSA-N 0 3 306.240 1.981 20 5 DDBDHN CS(=O)(=O)CCN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178134710 408777991 /nfs/dbraw/zinc/77/79/91/408777991.db2.gz OWMMOAKJGMMMRA-ZDUSSCGKSA-N 0 3 312.391 1.550 20 5 DDBDHN CS(=O)(=O)CCN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178134722 408778477 /nfs/dbraw/zinc/77/84/77/408778477.db2.gz OWMMOAKJGMMMRA-CYBMUJFWSA-N 0 3 312.391 1.550 20 5 DDBDHN CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000250415618 408778582 /nfs/dbraw/zinc/77/85/82/408778582.db2.gz AAESGRFUUFXDJT-GDBMZVCRSA-N 0 3 324.377 1.835 20 5 DDBDHN Cc1nn(CCC(=O)N2CCN3CCC2CC3)c(C)c1[N+](=O)[O-] ZINC000188616025 163060492 /nfs/dbraw/zinc/06/04/92/163060492.db2.gz PLEJCEPIJNZXNO-UHFFFAOYSA-N 0 3 321.381 1.105 20 5 DDBDHN COc1ccc(NC(=O)CN[C@@H]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000277498271 408952564 /nfs/dbraw/zinc/95/25/64/408952564.db2.gz PGVOFMDADFKFJZ-ZYHUDNBSSA-N 0 3 323.349 1.557 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@@H](C)C2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000278396873 409080466 /nfs/dbraw/zinc/08/04/66/409080466.db2.gz KLLBGAVFSSVIRG-VIFPVBQESA-N 0 3 307.354 1.261 20 5 DDBDHN COC(=O)c1cc(C)nc(NC[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000287821946 409099185 /nfs/dbraw/zinc/09/91/85/409099185.db2.gz KGLCXQVXCABPHW-SNVBAGLBSA-N 0 3 308.338 1.448 20 5 DDBDHN O=C1C[C@@]2(CCN(CCOc3cccc([N+](=O)[O-])c3)C2)CN1 ZINC000278916326 409112241 /nfs/dbraw/zinc/11/22/41/409112241.db2.gz QYMXWAANRKGXTH-HNNXBMFYSA-N 0 3 305.334 1.186 20 5 DDBDHN O=C1C[C@]2(CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)CN1 ZINC000279364386 409199459 /nfs/dbraw/zinc/19/94/59/409199459.db2.gz HKOHEUFVBHZWMF-LLCTXKFZSA-N 0 3 301.346 1.820 20 5 DDBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCN1C ZINC000284195885 409293835 /nfs/dbraw/zinc/29/38/35/409293835.db2.gz ZFXGDLQTEGTKKE-ZJUUUORDSA-N 0 3 324.356 1.871 20 5 DDBDHN Cc1cc(OCC(=O)NCC2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000280714275 409422378 /nfs/dbraw/zinc/42/23/78/409422378.db2.gz COKLBJNHADGMTP-UHFFFAOYSA-N 0 3 319.361 1.660 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CCC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000408098374 164227141 /nfs/dbraw/zinc/22/71/41/164227141.db2.gz FNKBGWIPWKLNPX-LLVKDONJSA-N 0 3 307.354 1.327 20 5 DDBDHN C[C@H](CN1CCC[C@H](C)C1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290684384 409485957 /nfs/dbraw/zinc/48/59/57/409485957.db2.gz SUOMGKJCRMMDKA-WDEREUQCSA-N 0 3 321.381 1.621 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)n1 ZINC000331452801 409527219 /nfs/dbraw/zinc/52/72/19/409527219.db2.gz XUBURZRITRORJU-LLVKDONJSA-N 0 3 321.381 1.558 20 5 DDBDHN C[C@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000346181988 409847245 /nfs/dbraw/zinc/84/72/45/409847245.db2.gz CFSNRAYXQSQDHH-SNVBAGLBSA-N 0 3 302.334 1.823 20 5 DDBDHN C[C@@H]1[C@@H](C)N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000357005051 409786716 /nfs/dbraw/zinc/78/67/16/409786716.db2.gz QQQNWFUNWPLTET-NFAWXSAZSA-N 0 3 323.393 1.359 20 5 DDBDHN CN1CC[C@](O)(CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000342832073 409934546 /nfs/dbraw/zinc/93/45/46/409934546.db2.gz RAKJHVBUHNXXMK-LBPRGKRZSA-N 0 3 309.351 1.078 20 5 DDBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1N(C)C ZINC000332718671 410233716 /nfs/dbraw/zinc/23/37/16/410233716.db2.gz QQVVTAWONSKYRB-MNOVXSKESA-N 0 3 312.395 1.051 20 5 DDBDHN CCN1CC[C@@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H]1C ZINC000347534897 410602095 /nfs/dbraw/zinc/60/20/95/410602095.db2.gz ZSUSDZOMYRKDBF-GHMZBOCLSA-N 0 3 309.370 1.273 20 5 DDBDHN CC[C@H](C)N[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccco1 ZINC000359554375 410726834 /nfs/dbraw/zinc/72/68/34/410726834.db2.gz IXPQKDSZFDGXOF-ONGXEEELSA-N 0 3 321.337 1.770 20 5 DDBDHN O=[N+]([O-])c1cc(CN[C@@H](CCO)C2CCOCC2)cs1 ZINC000359581616 410745207 /nfs/dbraw/zinc/74/52/07/410745207.db2.gz NNJVXUCVQVWOEU-LBPRGKRZSA-N 0 3 300.380 1.924 20 5 DDBDHN COc1c(C(=O)N2CCC[C@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000331050558 410918655 /nfs/dbraw/zinc/91/86/55/410918655.db2.gz ICCAPDNXUJBVGD-NSHDSACASA-N 0 3 307.350 1.770 20 5 DDBDHN CC(=O)N[C@H](C)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000331107183 410951819 /nfs/dbraw/zinc/95/18/19/410951819.db2.gz GXISJBMVGANYBO-LLVKDONJSA-N 0 3 309.370 1.028 20 5 DDBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](C)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000295865125 225326190 /nfs/dbraw/zinc/32/61/90/225326190.db2.gz YNAJFPUBUHREQJ-DLOVCJGASA-N 0 3 309.366 1.837 20 5 DDBDHN O=C1NC(=O)[C@@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])CC[C@H]12 ZINC000366571588 418492359 /nfs/dbraw/zinc/49/23/59/418492359.db2.gz XVCOUZARXKHXIS-ZTGIWPAFSA-N 0 3 315.329 1.203 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](c3ccco3)C2)c1 ZINC000374139249 418493840 /nfs/dbraw/zinc/49/38/40/418493840.db2.gz ABKDLWAHKNDYTF-AAEUAGOBSA-N 0 3 306.322 1.235 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000374387552 418525239 /nfs/dbraw/zinc/52/52/39/418525239.db2.gz BMJJYZXWCHCHJB-IJEWVQPXSA-N 0 3 306.362 1.987 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000374387555 418525613 /nfs/dbraw/zinc/52/56/13/418525613.db2.gz BMJJYZXWCHCHJB-SQWLQELKSA-N 0 3 306.362 1.987 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000375038644 418592690 /nfs/dbraw/zinc/59/26/90/418592690.db2.gz MAZJASZGVMQJJD-SWLSCSKDSA-N 0 3 319.361 1.526 20 5 DDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000367836211 418642454 /nfs/dbraw/zinc/64/24/54/418642454.db2.gz RTQOLCUZXMFHDJ-OASPWFOLSA-N 0 3 303.318 1.250 20 5 DDBDHN CC[C@@H](C)N[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccco1 ZINC000343265595 418631471 /nfs/dbraw/zinc/63/14/71/418631471.db2.gz OTDNGIWXMVPTBA-NXEZZACHSA-N 0 3 320.353 1.523 20 5 DDBDHN CN1CCC2(CCCN2C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000372836368 418907437 /nfs/dbraw/zinc/90/74/37/418907437.db2.gz IIYRTMYJIVLPHC-UHFFFAOYSA-N 0 3 321.381 1.268 20 5 DDBDHN CC(C)N(C)CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373249537 418933721 /nfs/dbraw/zinc/93/37/21/418933721.db2.gz JBTCENXBQLKRPJ-UHFFFAOYSA-N 0 3 309.370 1.295 20 5 DDBDHN C[C@@H]1CCNC(=O)[C@@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411698894 419382760 /nfs/dbraw/zinc/38/27/60/419382760.db2.gz VRVZMDXOKGOWMS-QMTHXVAHSA-N 0 3 320.349 1.038 20 5 DDBDHN COc1cc(CN2CC[C@@H](C(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000411936335 419505863 /nfs/dbraw/zinc/50/58/63/419505863.db2.gz FPBAVPZGZSPQQA-GFCCVEGCSA-N 0 3 307.350 1.514 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2C[C@@H](O)C[C@@H]2c2ccccc2)n1 ZINC000411948340 419511962 /nfs/dbraw/zinc/51/19/62/419511962.db2.gz PQNWEPGZLRNRRD-UONOGXRCSA-N 0 3 302.334 1.599 20 5 DDBDHN O=C(CCOC1CNC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423723079 420142629 /nfs/dbraw/zinc/14/26/29/420142629.db2.gz LALHJXOVSSLDSE-UHFFFAOYSA-N 0 3 319.361 1.464 20 5 DDBDHN CCc1n[nH]c(C(=O)N(C)C(C)(C)CN2CCCC2)c1[N+](=O)[O-] ZINC000416335468 420334214 /nfs/dbraw/zinc/33/42/14/420334214.db2.gz VFNJAXXQFWLOIL-UHFFFAOYSA-N 0 3 323.397 1.827 20 5 DDBDHN CCOC(=O)c1ccnc(N(C)C[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000420633030 420337277 /nfs/dbraw/zinc/33/72/77/420337277.db2.gz IQPMOTRQXCHRBV-NSHDSACASA-N 0 3 322.365 1.697 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](CO)C(C)(C)C ZINC000444692976 230122041 /nfs/dbraw/zinc/12/20/41/230122041.db2.gz GDAVPVPEBRBFRG-LBPRGKRZSA-N 0 3 309.366 1.838 20 5 DDBDHN C[C@H](NC[C@H](O)CN1CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000451106371 420591204 /nfs/dbraw/zinc/59/12/04/420591204.db2.gz OTNXDTURVDZMOK-FZMZJTMJSA-N 0 3 307.350 1.229 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000493186307 420781154 /nfs/dbraw/zinc/78/11/54/420781154.db2.gz GYTLTOQBZAIMRF-XPHWWTOTSA-N 0 3 301.346 1.771 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000455164927 420977034 /nfs/dbraw/zinc/97/70/34/420977034.db2.gz KLUMPNLOIIHQJC-GXFFZTMASA-N 0 3 320.349 1.771 20 5 DDBDHN COc1cc(CNC[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000449737617 421070872 /nfs/dbraw/zinc/07/08/72/421070872.db2.gz SXTLNUFRUSZMHM-GXFFZTMASA-N 0 3 310.350 1.863 20 5 DDBDHN Cc1sc(S(=O)(=O)[N-]C[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000490027922 421185979 /nfs/dbraw/zinc/18/59/79/421185979.db2.gz BRSWMGHLEYJZAU-MRVPVSSYSA-N 0 3 321.424 1.441 20 5 DDBDHN COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CCCN1CCCO ZINC000450598115 421215294 /nfs/dbraw/zinc/21/52/94/421215294.db2.gz PVHAEUPDKPHDDR-OAHLLOKOSA-N 0 3 323.393 2.000 20 5 DDBDHN O=C1CC[C@@H](CN2CCc3ccc([N+](=O)[O-])cc3C2)CCN1 ZINC000450481982 421203127 /nfs/dbraw/zinc/20/31/27/421203127.db2.gz FZLXJNBOWSGJTQ-GFCCVEGCSA-N 0 3 303.362 1.869 20 5 DDBDHN CC(COC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496739613 421307874 /nfs/dbraw/zinc/30/78/74/421307874.db2.gz YQJLRJCEESSANS-BDAKNGLRSA-N 0 3 320.367 1.505 20 5 DDBDHN C[C@H]1CCCCN1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548059749 421394342 /nfs/dbraw/zinc/39/43/42/421394342.db2.gz XDWMFJIXXWSKNJ-JTQLQIEISA-N 0 3 307.354 1.176 20 5 DDBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000563916274 421556326 /nfs/dbraw/zinc/55/63/26/421556326.db2.gz LVCGNVMIXUJLQS-CYBMUJFWSA-N 0 3 306.366 1.936 20 5 DDBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CCN(C2CCC2)C1 ZINC000553864869 421627023 /nfs/dbraw/zinc/62/70/23/421627023.db2.gz BBYFHVYMWSUJKU-LBPRGKRZSA-N 0 3 320.393 1.880 20 5 DDBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000556321749 421708111 /nfs/dbraw/zinc/70/81/11/421708111.db2.gz HARCNJZARQDTRO-NHCYSSNCSA-N 0 3 307.354 1.120 20 5 DDBDHN CC(C)(C)OCCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571516376 421722278 /nfs/dbraw/zinc/72/22/78/421722278.db2.gz MNZGQIXKFILAJB-LBPRGKRZSA-N 0 3 312.366 1.739 20 5 DDBDHN C[C@@H](CN1CCN(C)CC1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572422982 421787249 /nfs/dbraw/zinc/78/72/49/421787249.db2.gz NYKVOLPWCDIQIX-BBRMVZONSA-N 0 3 318.421 1.808 20 5 DDBDHN COC[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000541593390 421798977 /nfs/dbraw/zinc/79/89/77/421798977.db2.gz GZQYUWDLZMESCL-AWEZNQCLSA-N 0 3 321.377 1.745 20 5 DDBDHN C[C@@H](CNCCc1ccc(Cl)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000578642425 422617513 /nfs/dbraw/zinc/61/75/13/422617513.db2.gz GDHZGECKDKGBRL-VIFPVBQESA-N 0 3 320.798 1.813 20 5 DDBDHN CCN1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000344409685 272017274 /nfs/dbraw/zinc/01/72/74/272017274.db2.gz ABZIDKBACRDFQP-CQSZACIVSA-N 0 3 305.382 1.206 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(N2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000267386597 274118264 /nfs/dbraw/zinc/11/82/64/274118264.db2.gz MPPJNMBTEPNLRS-CYBMUJFWSA-N 0 3 321.377 1.762 20 5 DDBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000157020018 277182617 /nfs/dbraw/zinc/18/26/17/277182617.db2.gz PBCGEQMXEZFIFI-OCCSQVGLSA-N 0 3 318.377 1.733 20 5 DDBDHN CN(C)C/C=C\C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000493040480 282022630 /nfs/dbraw/zinc/02/26/30/282022630.db2.gz RWXDMJLDIXKVTP-ARJAWSKDSA-N 0 3 316.361 1.853 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](Oc3ccccc3)C2)c1 ZINC000363170890 300225880 /nfs/dbraw/zinc/22/58/80/300225880.db2.gz PGSSJMWTZHYTPP-HNNXBMFYSA-N 0 3 302.334 1.945 20 5 DDBDHN C[C@@H](CO)N1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000368950327 301108625 /nfs/dbraw/zinc/10/86/25/301108625.db2.gz MEDIJGQWJUOIKM-AWEZNQCLSA-N 0 3 323.393 1.362 20 5 DDBDHN Cc1nc(C)n(C[C@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000370024583 301260426 /nfs/dbraw/zinc/26/04/26/301260426.db2.gz ABXQYBUCKAMLMG-CYBMUJFWSA-N 0 3 319.369 1.164 20 5 DDBDHN CC(C)CN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000370163767 301286273 /nfs/dbraw/zinc/28/62/73/301286273.db2.gz UDJBWGGKQOSUDU-UHFFFAOYSA-N 0 3 320.393 1.981 20 5 DDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000375901210 302013131 /nfs/dbraw/zinc/01/31/31/302013131.db2.gz LCRMPXIPYXJENA-YPMHNXCESA-N 0 3 304.350 1.689 20 5 DDBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531883054 303263220 /nfs/dbraw/zinc/26/32/20/303263220.db2.gz WWQKNFXOOYARCJ-RYUDHWBXSA-N 0 3 306.366 1.983 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCO[C@@H]1C1CC1 ZINC000365189303 307061196 /nfs/dbraw/zinc/06/11/96/307061196.db2.gz BAXCGHTYRUIMBE-GOEBONIOSA-N 0 3 319.361 1.999 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000371555456 307153300 /nfs/dbraw/zinc/15/33/00/307153300.db2.gz UJOFSJKOXGIUOC-DOMZBBRYSA-N 0 3 318.377 1.559 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000376575956 307248316 /nfs/dbraw/zinc/24/83/16/307248316.db2.gz XRRVOOGMXXXCEK-WFASDCNBSA-N 0 3 318.377 1.997 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCN1CCC(O)CC1 ZINC000569867663 308152093 /nfs/dbraw/zinc/15/20/93/308152093.db2.gz MXJCNSCZLCSTOG-OAHLLOKOSA-N 0 3 305.378 1.628 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(C3CC3)cc2)c1 ZINC000580185829 308585946 /nfs/dbraw/zinc/58/59/46/308585946.db2.gz YABISZOZIAKNKU-INIZCTEOSA-N 0 3 316.361 1.819 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000583103065 337240922 /nfs/dbraw/zinc/24/09/22/337240922.db2.gz YOJJSHUXNCAOID-OAHLLOKOSA-N 0 3 306.366 1.491 20 5 DDBDHN CN(C)CCOc1cccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000583800768 337334803 /nfs/dbraw/zinc/33/48/03/337334803.db2.gz IBLVDFHGUJDODB-UHFFFAOYSA-N 0 3 319.321 1.511 20 5 DDBDHN C[NH+](C)CCOc1cccc(NC(=O)c2c[n-]nc2[N+](=O)[O-])c1 ZINC000583800768 337334804 /nfs/dbraw/zinc/33/48/04/337334804.db2.gz IBLVDFHGUJDODB-UHFFFAOYSA-N 0 3 319.321 1.511 20 5 DDBDHN CC(C)N1CCCC[C@H]1Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC000412995636 529004758 /nfs/dbraw/zinc/00/47/58/529004758.db2.gz ZYKFKHWZSKVALH-NSHDSACASA-N 0 3 322.365 1.118 20 5 DDBDHN CC(C)N1CC[C@H](N(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000457141266 529073909 /nfs/dbraw/zinc/07/39/09/529073909.db2.gz ZAOWVKSSWITJQI-LBPRGKRZSA-N 0 3 323.397 1.468 20 5 DDBDHN Cc1cc(C(=O)N(C)CCN2CCCC2)c(N)c([N+](=O)[O-])c1 ZINC000104899404 696621488 /nfs/dbraw/zinc/62/14/88/696621488.db2.gz PODXMJAVPAHWKH-UHFFFAOYSA-N 0 3 306.366 1.653 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)C(C)(C)C)C1 ZINC000985061096 697455219 /nfs/dbraw/zinc/45/52/19/697455219.db2.gz QDRHKFLCXRTYDV-XYPYZODXSA-N 0 3 323.397 1.359 20 5 DDBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CCN(C2CC2)C1 ZINC000786949629 699182058 /nfs/dbraw/zinc/18/20/58/699182058.db2.gz KLYVINAQOFKZSO-GFCCVEGCSA-N 0 3 304.350 1.486 20 5 DDBDHN C[C@@H]1OCC[C@H]1N(CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796578722 699940030 /nfs/dbraw/zinc/94/00/30/699940030.db2.gz JXQYSNFJMUYYFS-NILFDRSVSA-N 0 3 310.350 1.100 20 5 DDBDHN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804396397 701186110 /nfs/dbraw/zinc/18/61/10/701186110.db2.gz HFJVLQHZTHVVKU-GHMZBOCLSA-N 0 3 322.321 1.778 20 5 DDBDHN CN1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000839714489 701794478 /nfs/dbraw/zinc/79/44/78/701794478.db2.gz JOHPRBWPAQQOPM-SYQHCUMBSA-N 0 3 323.780 1.867 20 5 DDBDHN CC(COC(=O)Cc1csc(-c2cccnc2)n1)[N+](=O)[O-] ZINC000813102006 702291201 /nfs/dbraw/zinc/29/12/01/702291201.db2.gz MQVYKMKJHITIPZ-SECBINFHSA-N 0 3 307.331 1.956 20 5 DDBDHN CC(=O)[C@@H]1CC(C(=O)OCC(C)[N+](=O)[O-])=NN1c1ccccc1 ZINC000813105169 702293244 /nfs/dbraw/zinc/29/32/44/702293244.db2.gz WMROVKVWZHRNQE-YGRLFVJLSA-N 0 3 319.317 1.419 20 5 DDBDHN CC(COC(=O)CC[C@H]1Cc2ccccc2NC1=O)[N+](=O)[O-] ZINC000813107631 702293916 /nfs/dbraw/zinc/29/39/16/702293916.db2.gz PNQLMFJQEISXMI-JQWIXIFHSA-N 0 3 306.318 1.786 20 5 DDBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000817679667 702449127 /nfs/dbraw/zinc/44/91/27/702449127.db2.gz VGRZZAXPJSTLFH-SECBINFHSA-N 0 3 310.329 1.482 20 5 DDBDHN CC[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000843116346 702822172 /nfs/dbraw/zinc/82/21/72/702822172.db2.gz WNFGJHJOFYIKAW-TUAOUCFPSA-N 0 3 304.293 1.622 20 5 DDBDHN C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])N1CCCCC1 ZINC000847366118 703407954 /nfs/dbraw/zinc/40/79/54/703407954.db2.gz CLTSEBWBYRDQLK-JTQLQIEISA-N 0 3 307.354 1.176 20 5 DDBDHN CC(COC(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F)[N+](=O)[O-] ZINC000851036359 703774861 /nfs/dbraw/zinc/77/48/61/703774861.db2.gz IFGPQGSWOCIKNX-HRDYMLBCSA-N 0 3 315.244 1.179 20 5 DDBDHN CC(C)(O)CN1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000869784094 703852237 /nfs/dbraw/zinc/85/22/37/703852237.db2.gz HEAQCNMTUXIJMB-NSHDSACASA-N 0 3 307.350 1.170 20 5 DDBDHN CC1(C)OC[C@H](CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000851843157 703868635 /nfs/dbraw/zinc/86/86/35/703868635.db2.gz ATWWYMWDOLCOQL-YPMHNXCESA-N 0 3 322.365 1.628 20 5 DDBDHN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCN1 ZINC000856490171 704531069 /nfs/dbraw/zinc/53/10/69/704531069.db2.gz XGOIBQHOLVICQO-LBPRGKRZSA-N 0 3 310.329 1.386 20 5 DDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000874834925 705192350 /nfs/dbraw/zinc/19/23/50/705192350.db2.gz VSDQGCGDVDSDSB-RYUDHWBXSA-N 0 3 304.350 1.486 20 5 DDBDHN O=[N+]([O-])c1cnn(C2CC(N[C@H](CO)c3cccc(F)c3)C2)c1 ZINC000877035229 705967455 /nfs/dbraw/zinc/96/74/55/705967455.db2.gz FDSBIRYYZQEYJZ-SSDMNJCBSA-N 0 3 320.324 1.957 20 5 DDBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCN1CCCCC1 ZINC000864880150 706290557 /nfs/dbraw/zinc/29/05/57/706290557.db2.gz RSWWYMWZWPECII-UHFFFAOYSA-N 0 3 309.341 1.879 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(CCn3cnnn3)C2)cc1 ZINC000878679164 706466742 /nfs/dbraw/zinc/46/67/42/706466742.db2.gz ULIHYFPWEAMHIC-ZDUSSCGKSA-N 0 3 302.338 1.461 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCN(CC(C)(C)O)C1 ZINC000865997290 706588822 /nfs/dbraw/zinc/58/88/22/706588822.db2.gz XTFNRWSEMAPVTL-NSHDSACASA-N 0 3 311.386 1.377 20 5 DDBDHN O=C(NC[C@@H]1CCN1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000885855207 708640278 /nfs/dbraw/zinc/64/02/78/708640278.db2.gz LCURRHHWJRFSGG-HNNXBMFYSA-N 0 3 319.361 1.578 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CCCN(CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000910286365 709867218 /nfs/dbraw/zinc/86/72/18/709867218.db2.gz GPTVXIKTWPKVDJ-JTQLQIEISA-N 0 3 309.370 1.437 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CCCN(CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000910286365 709867220 /nfs/dbraw/zinc/86/72/20/709867220.db2.gz GPTVXIKTWPKVDJ-JTQLQIEISA-N 0 3 309.370 1.437 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCN1C ZINC000928434469 713194531 /nfs/dbraw/zinc/19/45/31/713194531.db2.gz DZEZKJQHPJYNKJ-PSASIEDQSA-N 0 3 307.306 1.146 20 5 DDBDHN COC(=O)Cc1ccc(N[C@@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000895738494 711591362 /nfs/dbraw/zinc/59/13/62/711591362.db2.gz WTPHQFJXUIMQHK-CMPLNLGQSA-N 0 3 307.350 1.815 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000908350610 712749338 /nfs/dbraw/zinc/74/93/38/712749338.db2.gz ZUTSADOXPZLUGX-QPUJVOFHSA-N 0 3 324.768 1.607 20 5 DDBDHN COCCN1CCC(Nc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000920759857 713692199 /nfs/dbraw/zinc/69/21/99/713692199.db2.gz IISHJCMLTZUROJ-UHFFFAOYSA-N 0 3 319.365 1.765 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCN1C ZINC000925333467 714815269 /nfs/dbraw/zinc/81/52/69/714815269.db2.gz FCMYAZQJCBSDHA-BXUZGUMPSA-N 0 3 318.377 1.755 20 5 DDBDHN Cc1nscc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125931327 737684388 /nfs/dbraw/zinc/68/43/88/737684388.db2.gz SNXGHMIVQZUKNF-UHFFFAOYSA-N 0 3 320.374 1.879 20 5 DDBDHN CN1CCN(C2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000866212521 749159244 /nfs/dbraw/zinc/15/92/44/749159244.db2.gz LCGAOVFXYWVBOV-UHFFFAOYSA-N 0 3 305.382 1.206 20 5 DDBDHN CS(=O)(=O)c1ccccc1CN[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168986963 762179710 /nfs/dbraw/zinc/17/97/10/762179710.db2.gz GQVOZIIQFFGKSJ-YPMHNXCESA-N 0 3 312.391 1.625 20 5 DDBDHN COC(=O)c1c(C)c([N+](=O)[O-])ccc1-n1ccc([C@H](C)N)n1 ZINC001169235580 762289626 /nfs/dbraw/zinc/28/96/26/762289626.db2.gz XJFWXSAYNYRKHW-VIFPVBQESA-N 0 3 304.306 1.895 20 5 DDBDHN Cc1c(CN[C@H](C)[C@@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC001120040841 758199766 /nfs/dbraw/zinc/19/97/66/758199766.db2.gz PWSMXUJXVKSHKC-DGCLKSJQSA-N 0 3 312.391 1.816 20 5 DDBDHN Cc1ncccc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001133103073 769499721 /nfs/dbraw/zinc/49/97/21/769499721.db2.gz MGSOWRWLQJIMAD-UHFFFAOYSA-N 0 3 314.345 1.818 20 5 DDBDHN Cc1nocc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001133228094 769606116 /nfs/dbraw/zinc/60/61/16/769606116.db2.gz WYASBNUAYHIFIE-UHFFFAOYSA-N 0 3 304.306 1.411 20 5 DDBDHN COc1ccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)o1 ZINC001135660549 771636375 /nfs/dbraw/zinc/63/63/75/771636375.db2.gz OAUNZNSUCWDCGX-UHFFFAOYSA-N 0 3 319.317 1.716 20 5 DDBDHN Cc1nc[nH]c1CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001149124929 773185249 /nfs/dbraw/zinc/18/52/49/773185249.db2.gz XJJWHZYHGBVQJP-UHFFFAOYSA-N 0 3 317.349 1.075 20 5 DDBDHN CCCN(C)CC(=O)NCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001093787438 775078028 /nfs/dbraw/zinc/07/80/28/775078028.db2.gz CSZLRPIEYZRESJ-UHFFFAOYSA-N 0 3 308.382 1.773 20 5 DDBDHN CCN(C)C(C)(C)C(=O)NCCN(C)c1ccccc1[N+](=O)[O-] ZINC001100203693 775815285 /nfs/dbraw/zinc/81/52/85/775815285.db2.gz BAHWKUAQRBWSAB-UHFFFAOYSA-N 0 3 322.409 1.878 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCC(=O)N(C)C)c1F ZINC001173174890 777034207 /nfs/dbraw/zinc/03/42/07/777034207.db2.gz FHLBOJBMVXLYCV-VIFPVBQESA-N 0 3 313.329 1.351 20 5 DDBDHN CCNC(=O)CN[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180657 777035447 /nfs/dbraw/zinc/03/54/47/777035447.db2.gz XZHLPPDTXJERMP-VIFPVBQESA-N 0 3 313.329 1.399 20 5 DDBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001139628264 860441807 /nfs/dbraw/zinc/44/18/07/860441807.db2.gz UTDPECWAYYJNFH-LBPRGKRZSA-N 0 3 306.366 1.855 20 5 DDBDHN NCc1ccc2c(n1)N(c1cc([N+](=O)[O-])cc[n+]1[O-])CCC2 ZINC001158647380 864782534 /nfs/dbraw/zinc/78/25/34/864782534.db2.gz NIVZBPBDFIVFBN-UHFFFAOYSA-N 0 3 301.306 1.166 20 5 DDBDHN Cc1nn(CCC(=O)N[C@H]2CN3CCC2CC3)c(C)c1[N+](=O)[O-] ZINC001337355723 869451202 /nfs/dbraw/zinc/45/12/02/869451202.db2.gz IBOVXWCBQALPNH-ZDUSSCGKSA-N 0 3 321.381 1.009 20 5 DDBDHN CC1(C)CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC001305031355 871256781 /nfs/dbraw/zinc/25/67/81/871256781.db2.gz CRYCTVREXFOPQN-UHFFFAOYSA-N 0 3 306.366 1.639 20 5 DDBDHN CCn1c([C@H](C)[N+](=O)[O-])nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001340877184 871404387 /nfs/dbraw/zinc/40/43/87/871404387.db2.gz CRXZWLLICMCJAS-WOPDTQHZSA-N 0 3 310.402 1.555 20 5 DDBDHN CC[C@@H](CNS(C)(=O)=O)NCc1cccc([N+](=O)[O-])c1C ZINC001308410535 871498752 /nfs/dbraw/zinc/49/87/52/871498752.db2.gz ROQRQCXYLWJSCZ-LBPRGKRZSA-N 0 3 315.395 1.321 20 5 DDBDHN CN1CCCC[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001347503991 874164465 /nfs/dbraw/zinc/16/44/65/874164465.db2.gz PPNMNHXEMRCNDF-ZDUSSCGKSA-N 0 3 307.350 1.574 20 5 DDBDHN CN1CCCC[C@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC001353102720 877120393 /nfs/dbraw/zinc/12/03/93/877120393.db2.gz PRVPKVIHLYNYLO-ZDUSSCGKSA-N 0 3 306.366 1.878 20 5 DDBDHN O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@H]2C[NH+]3CCC2CC3)[n-]1 ZINC001228241335 883401696 /nfs/dbraw/zinc/40/16/96/883401696.db2.gz AGVPNEWXYOXJRN-ZDUSSCGKSA-N 0 3 316.317 1.717 20 5 DDBDHN CCN1CCC(Oc2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC001233856651 887395007 /nfs/dbraw/zinc/39/50/07/887395007.db2.gz BUFHHKSBKRPYKY-UHFFFAOYSA-N 0 3 309.322 1.640 20 5 DDBDHN C[C@H](N)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001262044356 899912801 /nfs/dbraw/zinc/91/28/01/899912801.db2.gz DYBSNQGORFBCNB-LURJTMIESA-N 0 3 302.128 1.321 20 5 DDBDHN COC(=O)c1cc(C(=O)NC2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000078968928 185137374 /nfs/dbraw/zinc/13/73/74/185137374.db2.gz MJYBWIUYNCYBOI-UHFFFAOYSA-N 0 3 321.333 1.205 20 5 DDBDHN CO[C@@]1(C)C[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000090551326 185302619 /nfs/dbraw/zinc/30/26/19/185302619.db2.gz FCFXUGVRJZIKLR-CJNGLKHVSA-N 0 3 323.393 1.892 20 5 DDBDHN Cc1cc(C(=O)NC2(CCO)CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000354140739 290918896 /nfs/dbraw/zinc/91/88/96/290918896.db2.gz BFVRDUVWMQMIDW-UHFFFAOYSA-N 0 3 321.377 1.480 20 5 DDBDHN CN(CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CC1 ZINC000058857822 352854779 /nfs/dbraw/zinc/85/47/79/352854779.db2.gz NNXXBGVEJWKUPY-UHFFFAOYSA-N 0 3 302.334 1.900 20 5 DDBDHN CC(=O)NCC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065536612 352954544 /nfs/dbraw/zinc/95/45/44/352954544.db2.gz GCXJGSXDELOXDR-UHFFFAOYSA-N 0 3 321.377 1.822 20 5 DDBDHN CC(C)N1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000068776757 353129211 /nfs/dbraw/zinc/12/92/11/353129211.db2.gz WMUWQGVTDVDMLW-UHFFFAOYSA-N 0 3 323.397 1.469 20 5 DDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@H](O)CN1CCOCC1 ZINC000073021810 353233137 /nfs/dbraw/zinc/23/31/37/353233137.db2.gz SNWGRWSVIZJDAK-CJNGLKHVSA-N 0 3 323.393 1.281 20 5 DDBDHN Cc1cc(NC[C@H](O)CN2CCC(C)CC2)ncc1[N+](=O)[O-] ZINC000074749920 353328516 /nfs/dbraw/zinc/32/85/16/353328516.db2.gz FPOFCLWFTAKFAS-ZDUSSCGKSA-N 0 3 308.382 1.803 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000174645604 198364839 /nfs/dbraw/zinc/36/48/39/198364839.db2.gz NWSRAKGOBRQMNQ-HNNXBMFYSA-N 0 3 302.334 1.211 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1(O)CCN(C)CC1 ZINC000077450008 353469471 /nfs/dbraw/zinc/46/94/71/353469471.db2.gz IISUMLOVNMMTFR-UHFFFAOYSA-N 0 3 323.393 1.540 20 5 DDBDHN CC[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1c(C)nn(C)c1C ZINC000090538495 353794915 /nfs/dbraw/zinc/79/49/15/353794915.db2.gz CECDRNSAZBKMSE-CYBMUJFWSA-N 0 3 306.370 1.883 20 5 DDBDHN CC(C)C[C@@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000320339122 354526387 /nfs/dbraw/zinc/52/63/87/354526387.db2.gz ISMVANRGIRNKLY-OAHLLOKOSA-N 0 3 320.393 1.617 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc([N+](=O)[O-])c1 ZINC000588860632 354943794 /nfs/dbraw/zinc/94/37/94/354943794.db2.gz KIAFLSQLMLJQHT-ZFWWWQNUSA-N 0 3 319.361 1.184 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNCCc1cn[nH]c1)OCCO2 ZINC000589323809 354984587 /nfs/dbraw/zinc/98/45/87/354984587.db2.gz OTKYYGMYFJHWPQ-UHFFFAOYSA-N 0 3 304.306 1.421 20 5 DDBDHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000590561799 355115030 /nfs/dbraw/zinc/11/50/30/355115030.db2.gz GVVWGHBUWDPENZ-QWRGUYRKSA-N 0 3 309.322 1.123 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594199313 356137936 /nfs/dbraw/zinc/13/79/36/356137936.db2.gz JTELFQXANUVOET-OLZOCXBDSA-N 0 3 321.381 1.233 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594199315 356137947 /nfs/dbraw/zinc/13/79/47/356137947.db2.gz JTELFQXANUVOET-STQMWFEESA-N 0 3 321.381 1.233 20 5 DDBDHN Cc1c(CC(=O)N[C@@H](CN)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000594451121 356221916 /nfs/dbraw/zinc/22/19/16/356221916.db2.gz KROZWUHWZWNJIZ-JTQLQIEISA-N 0 3 305.256 1.452 20 5 DDBDHN C[C@H](N[C@@H]1CCc2c(nnn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000594519947 356241760 /nfs/dbraw/zinc/24/17/60/356241760.db2.gz HLQFJHPYORUUJZ-CMPLNLGQSA-N 0 3 301.350 1.931 20 5 DDBDHN CN(C)Cc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000347027396 283154640 /nfs/dbraw/zinc/15/46/40/283154640.db2.gz ZMBNLAUOBSWMNF-UHFFFAOYSA-N 0 3 303.322 1.642 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1(N)CC2(CCC2)C1 ZINC000595253391 356419688 /nfs/dbraw/zinc/41/96/88/356419688.db2.gz NUYNRXVTGQQWQY-UHFFFAOYSA-N 0 3 319.361 1.881 20 5 DDBDHN CN(CCn1ccc([N+](=O)[O-])n1)[C@@H](CO)Cc1ccccc1 ZINC000595599572 356570410 /nfs/dbraw/zinc/57/04/10/356570410.db2.gz YRDQPWAHTHCERD-CQSZACIVSA-N 0 3 304.350 1.327 20 5 DDBDHN C[C@@H](CO)[C@H]1CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595679782 356607904 /nfs/dbraw/zinc/60/79/04/356607904.db2.gz YCZWQXSMSAQCKQ-SMDDNHRTSA-N 0 3 321.377 1.677 20 5 DDBDHN COc1cc(NC[C@]2(O)CCN(C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596198041 356810584 /nfs/dbraw/zinc/81/05/84/356810584.db2.gz PMDIYUXKIRAFIA-CYBMUJFWSA-N 0 3 315.757 1.735 20 5 DDBDHN Cc1cnc(N2CCC(N3CCCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000596269434 356839035 /nfs/dbraw/zinc/83/90/35/356839035.db2.gz UMRPUNFQXXXLPB-UHFFFAOYSA-N 0 3 320.393 1.989 20 5 DDBDHN CC(C)(C)N1CC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000596305882 356852234 /nfs/dbraw/zinc/85/22/34/356852234.db2.gz BXWYJXHZABGSRC-VIFPVBQESA-N 0 3 307.354 1.373 20 5 DDBDHN CCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000598044189 357440572 /nfs/dbraw/zinc/44/05/72/357440572.db2.gz ZPPHRLJVXGRLSA-CQSZACIVSA-N 0 3 321.377 1.916 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)n1 ZINC000597920422 357381611 /nfs/dbraw/zinc/38/16/11/357381611.db2.gz BTGHCHBQOPIFOY-SNVBAGLBSA-N 0 3 309.370 1.414 20 5 DDBDHN Cc1n[nH]c(C(=O)N[C@@H]2CCN(C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598221528 357497736 /nfs/dbraw/zinc/49/77/36/357497736.db2.gz XDGICIKCXTYRMR-LLVKDONJSA-N 0 3 321.381 1.763 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598261091 357511803 /nfs/dbraw/zinc/51/18/03/357511803.db2.gz DTTFQHYPAFHGBW-LLVKDONJSA-N 0 3 323.397 1.731 20 5 DDBDHN Cc1cc(N2CC(CN3CCN(C)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000599109926 357818525 /nfs/dbraw/zinc/81/85/25/357818525.db2.gz XXIMYEAYJUAXJS-UHFFFAOYSA-N 0 3 322.384 1.726 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CC[NH2+][C@H]2C)c1[N+](=O)[O-] ZINC000599111806 357818815 /nfs/dbraw/zinc/81/88/15/357818815.db2.gz NBZUDJTVQVILBB-WDEREUQCSA-N 0 3 313.379 1.240 20 5 DDBDHN O=[N+]([O-])c1cccc2c1ccnc2NCCN1CC[C@H](O)C1 ZINC000599200154 357847304 /nfs/dbraw/zinc/84/73/04/357847304.db2.gz YGERDHNGPZXWMQ-NSHDSACASA-N 0 3 302.334 1.622 20 5 DDBDHN CCc1n[nH]c(C(=O)N(CC)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000599985283 358096659 /nfs/dbraw/zinc/09/66/59/358096659.db2.gz BLZMINCWWUEIQL-UHFFFAOYSA-N 0 3 309.370 1.437 20 5 DDBDHN CCc1[nH]nc(C(=O)N(CC)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000599985283 358096662 /nfs/dbraw/zinc/09/66/62/358096662.db2.gz BLZMINCWWUEIQL-UHFFFAOYSA-N 0 3 309.370 1.437 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CO)C(C)(C)C ZINC000180629723 199188089 /nfs/dbraw/zinc/18/80/89/199188089.db2.gz CMCBAHPUPMMTNI-CYBMUJFWSA-N 0 3 309.366 1.838 20 5 DDBDHN COC(=O)c1cc(-c2cnn(CCN(C)C)c2)cc([N+](=O)[O-])c1 ZINC000600789276 358315049 /nfs/dbraw/zinc/31/50/49/358315049.db2.gz UKVOONDNCZNQDX-UHFFFAOYSA-N 0 3 318.333 1.807 20 5 DDBDHN COC(=O)c1cnc(N2C[C@@H]3CCN(C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000601184141 358437525 /nfs/dbraw/zinc/43/75/25/358437525.db2.gz IBULHIBSTHVVAW-CMPLNLGQSA-N 0 3 320.349 1.164 20 5 DDBDHN C[C@H](NS(=O)(=O)CCCN(C)C)c1ccccc1[N+](=O)[O-] ZINC000601387017 358529469 /nfs/dbraw/zinc/52/94/69/358529469.db2.gz LGSQRWVFSVBYHW-NSHDSACASA-N 0 3 315.395 1.527 20 5 DDBDHN C[C@H]1CC(C)(C)C[C@](CO)(NCc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602793215 359194939 /nfs/dbraw/zinc/19/49/39/359194939.db2.gz HXJNLILJEOHGSZ-XHDPSFHLSA-N 0 3 310.398 1.995 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000602795300 359197783 /nfs/dbraw/zinc/19/77/83/359197783.db2.gz HUHOLHMXOWNHJD-GXTWGEPZSA-N 0 3 318.381 1.879 20 5 DDBDHN Cn1cc(CCN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC000602961751 359325771 /nfs/dbraw/zinc/32/57/71/359325771.db2.gz CEVOHIHHNNIFDL-HNNXBMFYSA-N 0 3 304.350 1.368 20 5 DDBDHN CN1CCC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000611147069 360637233 /nfs/dbraw/zinc/63/72/33/360637233.db2.gz UFJIKTOPYUKBQZ-CYBMUJFWSA-N 0 3 306.366 1.531 20 5 DDBDHN CC[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000281291878 216215972 /nfs/dbraw/zinc/21/59/72/216215972.db2.gz GXTOBPPXXVPZPQ-KGLIPLIRSA-N 0 3 324.377 1.835 20 5 DDBDHN COCC1(N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000612110826 360923315 /nfs/dbraw/zinc/92/33/15/360923315.db2.gz YIYXVOWGQGXLHK-LBPRGKRZSA-N 0 3 310.350 1.445 20 5 DDBDHN Cc1ccc(S(=O)(=O)N[C@H]2CNCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000193415306 201049016 /nfs/dbraw/zinc/04/90/16/201049016.db2.gz IBFCZTBOKJUCHB-CABZTGNLSA-N 0 3 313.379 1.180 20 5 DDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000618923019 363802403 /nfs/dbraw/zinc/80/24/03/363802403.db2.gz AMBJSHWSLARGCG-HNNXBMFYSA-N 0 3 307.350 1.124 20 5 DDBDHN COc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cccc1[N+](=O)[O-] ZINC000619438225 364008963 /nfs/dbraw/zinc/00/89/63/364008963.db2.gz QQGCTWKSMDFNNA-NEPJUHHUSA-N 0 3 319.361 1.912 20 5 DDBDHN CC[C@H]1CN(C)CCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000619566959 364062993 /nfs/dbraw/zinc/06/29/93/364062993.db2.gz CUDBQUSFACCPNA-ZDUSSCGKSA-N 0 3 321.377 1.916 20 5 DDBDHN Cc1ccc(CNC2CC(NS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000619748047 364140264 /nfs/dbraw/zinc/14/02/64/364140264.db2.gz YVNLUBDEZMYXHU-UHFFFAOYSA-N 0 3 313.379 1.073 20 5 DDBDHN C[C@H](CC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000336818313 249236511 /nfs/dbraw/zinc/23/65/11/249236511.db2.gz VACLXOFDCXAZIX-SSDOTTSWSA-N 0 3 307.759 1.264 20 5 DDBDHN CC(C)[C@H](CCO)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274072473 211328854 /nfs/dbraw/zinc/32/88/54/211328854.db2.gz RMMPREQZRSSLOF-NEPJUHHUSA-N 0 3 309.366 1.918 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000567438728 304219043 /nfs/dbraw/zinc/21/90/43/304219043.db2.gz DPCOCUXGBZUHJR-LBPRGKRZSA-N 0 3 306.366 1.680 20 5 DDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](N(C)C)C1 ZINC000109806066 194287682 /nfs/dbraw/zinc/28/76/82/194287682.db2.gz UGANIMXVOKTLCZ-WFASDCNBSA-N 0 3 320.393 1.948 20 5 DDBDHN C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)N(C)C1CC1 ZINC000057706789 184047917 /nfs/dbraw/zinc/04/79/17/184047917.db2.gz AECBYLULQWFWTM-QMMMGPOBSA-N 0 3 310.329 1.529 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](O)C[C@@H]1C ZINC000340904193 251267102 /nfs/dbraw/zinc/26/71/02/251267102.db2.gz JAGOJEHLMOKFGU-CMPLNLGQSA-N 0 3 323.349 1.387 20 5 DDBDHN C[C@@H]1C[C@@H](O)CN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000340921185 251278358 /nfs/dbraw/zinc/27/83/58/251278358.db2.gz XLEBANITEIXGNR-ZYHUDNBSSA-N 0 3 321.333 1.348 20 5 DDBDHN Cc1n[nH]c(C(=O)NCCN2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000341074349 251366823 /nfs/dbraw/zinc/36/68/23/251366823.db2.gz WYCQAHFZVMYWTI-NXEZZACHSA-N 0 3 309.370 1.619 20 5 DDBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000341052801 251357245 /nfs/dbraw/zinc/35/72/45/251357245.db2.gz FXHDSUSTZANVNR-RYUDHWBXSA-N 0 3 309.370 1.170 20 5 DDBDHN CC(COC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000495858559 307321124 /nfs/dbraw/zinc/32/11/24/307321124.db2.gz YRRFTXBKERZRKV-JTQLQIEISA-N 0 3 316.354 1.842 20 5 DDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)Cn1cccn1 ZINC000352545621 285130801 /nfs/dbraw/zinc/13/08/01/285130801.db2.gz YSGPKOGIOJBVIV-AWEZNQCLSA-N 0 3 304.350 1.327 20 5 DDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CNCCC1(F)F ZINC000414662783 224369545 /nfs/dbraw/zinc/36/95/45/224369545.db2.gz RIBHJGYGSYQROT-SNVBAGLBSA-N 0 3 300.265 1.714 20 5 DDBDHN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](CO)CN1CCCCC1 ZINC000352868523 285347334 /nfs/dbraw/zinc/34/73/34/285347334.db2.gz SRTHPUAVZPQRSP-AWEZNQCLSA-N 0 3 321.377 1.100 20 5 DDBDHN COc1cccc(C(=O)N[C@@H](C)C2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000444366720 533413008 /nfs/dbraw/zinc/41/30/08/533413008.db2.gz YBHCDAWBFGPAFJ-NSHDSACASA-N 0 3 319.361 1.984 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000330895785 533604180 /nfs/dbraw/zinc/60/41/80/533604180.db2.gz GJWAYHMYYYVHRG-NEPJUHHUSA-N 0 3 307.350 1.573 20 5 DDBDHN CSCC[C@H](N)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000570568341 304415737 /nfs/dbraw/zinc/41/57/37/304415737.db2.gz UGNSBNGLVFECNM-LBPRGKRZSA-N 0 3 313.379 1.170 20 5 DDBDHN COCC(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000037563111 406990562 /nfs/dbraw/zinc/99/05/62/406990562.db2.gz ZBWUEDCGARWRGE-UHFFFAOYSA-N 0 3 313.379 1.383 20 5 DDBDHN CSCC[C@H](N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000151711720 407483555 /nfs/dbraw/zinc/48/35/55/407483555.db2.gz IFGATPLRWSCHPI-JTQLQIEISA-N 0 3 312.395 1.203 20 5 DDBDHN CCN1CCN([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000112917735 407446021 /nfs/dbraw/zinc/44/60/21/407446021.db2.gz VQEFANGUPPZSAW-CYBMUJFWSA-N 0 3 320.393 1.351 20 5 DDBDHN O=C(C[C@H]1CSCCN1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000178753281 407582734 /nfs/dbraw/zinc/58/27/34/407582734.db2.gz BUNQLZDVGIWPKM-JTQLQIEISA-N 0 3 307.375 1.579 20 5 DDBDHN CCCC[C@@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000236720545 407761520 /nfs/dbraw/zinc/76/15/20/407761520.db2.gz CEDCRZBQCWMKLF-CYBMUJFWSA-N 0 3 320.393 1.761 20 5 DDBDHN CN(C)[C@]1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CCSC1 ZINC000267148710 407766893 /nfs/dbraw/zinc/76/68/93/407766893.db2.gz WENMHZAXTRPPAH-HNNXBMFYSA-N 0 3 323.418 1.691 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[NH2+]2)s1 ZINC000237970470 407860076 /nfs/dbraw/zinc/86/00/76/407860076.db2.gz GAHSJVMQUJEASD-QMMMGPOBSA-N 0 3 305.381 1.077 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000268177655 407930352 /nfs/dbraw/zinc/93/03/52/407930352.db2.gz KWSHIZRJLPPIEF-NHYWBVRUSA-N 0 3 319.361 1.573 20 5 DDBDHN CN(C)CCN(Cc1ccccc1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000268324170 407999744 /nfs/dbraw/zinc/99/97/44/407999744.db2.gz NRMZUFRBHYVHBV-UHFFFAOYSA-N 0 3 316.365 1.535 20 5 DDBDHN COCCN1CCC(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000141451972 408179310 /nfs/dbraw/zinc/17/93/10/408179310.db2.gz GUQDLNVIXZULMH-UHFFFAOYSA-N 0 3 321.377 1.744 20 5 DDBDHN CC(=O)N1CCN(CCN[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000268845952 408215192 /nfs/dbraw/zinc/21/51/92/408215192.db2.gz VHRPFSFPFRKUTL-CYBMUJFWSA-N 0 3 320.393 1.410 20 5 DDBDHN C[C@H](NCCCN1CCC[C@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000268966068 408223223 /nfs/dbraw/zinc/22/32/23/408223223.db2.gz YMDCZEFZDXGTBS-WFASDCNBSA-N 0 3 320.393 1.585 20 5 DDBDHN O=C(NCC1CC1)[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176210422 408308526 /nfs/dbraw/zinc/30/85/26/408308526.db2.gz SIZWUWPDOLROML-ZDUSSCGKSA-N 0 3 321.381 1.030 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H]3[C@H](CCCN3C3CC3)C2)n1 ZINC000134893625 162090944 /nfs/dbraw/zinc/09/09/44/162090944.db2.gz IPUKQCNMPHFQGS-HIFRSBDPSA-N 0 3 319.409 1.740 20 5 DDBDHN C[C@@H](O)[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000183225449 408360493 /nfs/dbraw/zinc/36/04/93/408360493.db2.gz QQHCYTHPSTUFMN-DYEKYZERSA-N 0 3 310.350 1.037 20 5 DDBDHN CC(C)(O)CN1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171149342 162206530 /nfs/dbraw/zinc/20/65/30/162206530.db2.gz AGZAOZUYGAORDP-UHFFFAOYSA-N 0 3 307.394 1.526 20 5 DDBDHN CCN1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000171268651 162211192 /nfs/dbraw/zinc/21/11/92/162211192.db2.gz ZVQQJKGEKXIQBQ-GFCCVEGCSA-N 0 3 307.350 1.818 20 5 DDBDHN O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000171452302 162219636 /nfs/dbraw/zinc/21/96/36/162219636.db2.gz AXDPZLCWSNWFMC-ZDUSSCGKSA-N 0 3 318.377 1.703 20 5 DDBDHN Cc1cc(C(=O)NCCCN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000265505259 408675063 /nfs/dbraw/zinc/67/50/63/408675063.db2.gz QRUYGWYVMGOOSJ-UHFFFAOYSA-N 0 3 321.377 1.480 20 5 DDBDHN CN1CCN(CCNC(=O)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000281825346 408935318 /nfs/dbraw/zinc/93/53/18/408935318.db2.gz RKSCWGFCPOZIRP-UHFFFAOYSA-N 0 3 320.393 1.351 20 5 DDBDHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000192719584 163233390 /nfs/dbraw/zinc/23/33/90/163233390.db2.gz GEWWHVZQCMCIAP-NSHDSACASA-N 0 3 315.395 1.603 20 5 DDBDHN COc1cc(C(=O)NC[C@@H]2CCCN2C)c([N+](=O)[O-])cc1OC ZINC000194747260 163295460 /nfs/dbraw/zinc/29/54/60/163295460.db2.gz DXWIZJDRNLQLCR-JTQLQIEISA-N 0 3 323.349 1.436 20 5 DDBDHN CC(C)N(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000291992234 408957682 /nfs/dbraw/zinc/95/76/82/408957682.db2.gz WXKLQIDYYJDNME-ZIAGYGMSSA-N 0 3 324.377 1.834 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@H](C)C2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000278396866 409079876 /nfs/dbraw/zinc/07/98/76/409079876.db2.gz KLLBGAVFSSVIRG-SECBINFHSA-N 0 3 307.354 1.261 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000284201005 409295386 /nfs/dbraw/zinc/29/53/86/409295386.db2.gz ZOQJEOBCJYYYOO-GFCCVEGCSA-N 0 3 319.361 1.914 20 5 DDBDHN CCN1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000280663287 409398243 /nfs/dbraw/zinc/39/82/43/409398243.db2.gz XJELVUZLNZKSSV-UHFFFAOYSA-N 0 3 321.377 1.836 20 5 DDBDHN Cc1nn(C)c(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000408128960 164236479 /nfs/dbraw/zinc/23/64/79/164236479.db2.gz MLEWTVLSYRLYIP-ONGXEEELSA-N 0 3 309.370 1.049 20 5 DDBDHN CO[C@@]1(C)C[C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000296290063 409493135 /nfs/dbraw/zinc/49/31/35/409493135.db2.gz PBBLIZJFFVNODM-CJNGLKHVSA-N 0 3 321.377 1.987 20 5 DDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000353914488 409558391 /nfs/dbraw/zinc/55/83/91/409558391.db2.gz RSCQQWDXOVVLKO-HNNXBMFYSA-N 0 3 322.365 1.345 20 5 DDBDHN COc1c(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331591936 409670019 /nfs/dbraw/zinc/67/00/19/409670019.db2.gz XZBUEQYHXSLZJN-WDEREUQCSA-N 0 3 319.361 1.958 20 5 DDBDHN CCc1n[nH]c(C(=O)NC[C@H](C)N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000346144006 409817269 /nfs/dbraw/zinc/81/72/69/409817269.db2.gz UCIWFUGLJSCOKH-MNOVXSKESA-N 0 3 323.397 1.873 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000349617355 409886286 /nfs/dbraw/zinc/88/62/86/409886286.db2.gz PBGUJTLPGKFMSM-NSHDSACASA-N 0 3 309.370 1.256 20 5 DDBDHN C[C@H]1COCCN1CCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338379988 409949495 /nfs/dbraw/zinc/94/94/95/409949495.db2.gz QUMJPYBBQCMTDQ-AWEZNQCLSA-N 0 3 307.394 1.790 20 5 DDBDHN C[C@@H](CO)N1CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000346689214 410087006 /nfs/dbraw/zinc/08/70/06/410087006.db2.gz PRGSEHPLZGKLQR-LBPRGKRZSA-N 0 3 311.357 1.622 20 5 DDBDHN CN1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000298089937 410108140 /nfs/dbraw/zinc/10/81/40/410108140.db2.gz RJBJEIOWGIQLIK-UHFFFAOYSA-N 0 3 318.377 1.121 20 5 DDBDHN C[C@@H](NCCNC(=O)c1cnccn1)c1ccc([N+](=O)[O-])cc1 ZINC000346802126 410160938 /nfs/dbraw/zinc/16/09/38/410160938.db2.gz UFMIYLYDYOULHH-LLVKDONJSA-N 0 3 315.333 1.465 20 5 DDBDHN CN(C)CC1(NC(=O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000339409604 410166952 /nfs/dbraw/zinc/16/69/52/410166952.db2.gz XOUOMXGCTUNWDI-UHFFFAOYSA-N 0 3 307.350 1.574 20 5 DDBDHN C[C@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCCN1C ZINC000343437277 410452041 /nfs/dbraw/zinc/45/20/41/410452041.db2.gz KYKOCKJMZVDLRB-IINYFYTJSA-N 0 3 309.341 1.875 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000343441162 410455063 /nfs/dbraw/zinc/45/50/63/410455063.db2.gz BXNVMZSQHMQHPT-FZMZJTMJSA-N 0 3 307.350 1.573 20 5 DDBDHN C[C@@H]1CCN(C)CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000355500522 410550185 /nfs/dbraw/zinc/55/01/85/410550185.db2.gz DRVDVUKZJLVDLR-CYBMUJFWSA-N 0 3 320.393 1.873 20 5 DDBDHN CCN1CCN(C[C@@H](C)CNc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000301296405 410692294 /nfs/dbraw/zinc/69/22/94/410692294.db2.gz SHNKJUOUYMRSQE-LBPRGKRZSA-N 0 3 324.429 1.322 20 5 DDBDHN CC(C)(C)[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000343884839 410777159 /nfs/dbraw/zinc/77/71/59/410777159.db2.gz VRKWPMQYDWUDTF-AAEUAGOBSA-N 0 3 308.382 1.883 20 5 DDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N1CCC(C)CC1 ZINC000330583220 410797769 /nfs/dbraw/zinc/79/77/69/410797769.db2.gz VDZDXTYUCMZNPN-LBPRGKRZSA-N 0 3 308.382 1.784 20 5 DDBDHN C[C@H]1CCCN(CCNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301915425 410830986 /nfs/dbraw/zinc/83/09/86/410830986.db2.gz ISDNIPOFSDPNDM-NSHDSACASA-N 0 3 304.354 1.781 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCC1(N(C)C)CCC1 ZINC000353359307 410938907 /nfs/dbraw/zinc/93/89/07/410938907.db2.gz SRGLNZKHRAHGMX-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN C[C@H]1CC[C@H](C(N)=O)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000348522943 410999013 /nfs/dbraw/zinc/99/90/13/410999013.db2.gz AQSBBLMXRRVNSX-RYUDHWBXSA-N 0 3 307.350 1.559 20 5 DDBDHN C[C@H]1C[C@@H]1N1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H](C)C1 ZINC000488756841 416560644 /nfs/dbraw/zinc/56/06/44/416560644.db2.gz WXUHWAPJSSCJHP-DCAQKATOSA-N 0 3 306.370 1.134 20 5 DDBDHN O=[N+]([O-])c1cnn([C@H]2CCCN(CCCn3ccnc3)C2)c1 ZINC000373581164 418442448 /nfs/dbraw/zinc/44/24/48/418442448.db2.gz DLFGYDZYNYUHGP-ZDUSSCGKSA-N 0 3 304.354 1.715 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC1CCN(CCN(C)C)CC1 ZINC000360890904 418541254 /nfs/dbraw/zinc/54/12/54/418541254.db2.gz CTNLHQPBCKDELI-UHFFFAOYSA-N 0 3 324.429 1.558 20 5 DDBDHN CNc1c(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000360954384 418553080 /nfs/dbraw/zinc/55/30/80/418553080.db2.gz MMZGEIXVVCUSKK-GHMZBOCLSA-N 0 3 318.377 1.992 20 5 DDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cnc2c(c1)CNCC2 ZINC000367384285 418593691 /nfs/dbraw/zinc/59/36/91/418593691.db2.gz MWSHAMGHYJBTGU-UHFFFAOYSA-N 0 3 312.329 1.817 20 5 DDBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@]1(CO)CCOC1 ZINC000411511612 418910884 /nfs/dbraw/zinc/91/08/84/418910884.db2.gz ZDSQPOBWDZISAM-HNNXBMFYSA-N 0 3 323.349 1.007 20 5 DDBDHN COc1cc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425049088 228355262 /nfs/dbraw/zinc/35/52/62/228355262.db2.gz DLMOYBAQPGNCMV-GXTWGEPZSA-N 0 3 319.361 1.770 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]2CCO)c1 ZINC000426254375 419422645 /nfs/dbraw/zinc/42/26/45/419422645.db2.gz DZLRASKILOYYJZ-GXTWGEPZSA-N 0 3 310.350 1.181 20 5 DDBDHN CCOc1cc(CN2CC[C@H](C(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000411951941 419519872 /nfs/dbraw/zinc/51/98/72/419519872.db2.gz PEZIPJGGACUOIU-ZDUSSCGKSA-N 0 3 321.377 1.904 20 5 DDBDHN CON1CCC(N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000421205832 419521588 /nfs/dbraw/zinc/52/15/88/419521588.db2.gz HNGXLCYFCBPQHC-NSHDSACASA-N 0 3 322.365 1.537 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000418122951 419554569 /nfs/dbraw/zinc/55/45/69/419554569.db2.gz YGKIXUWHGVKXNG-KGLIPLIRSA-N 0 3 307.394 1.790 20 5 DDBDHN C[C@@H]1C[C@H](O)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000412040782 419581964 /nfs/dbraw/zinc/58/19/64/419581964.db2.gz KOTBOXWRTBVDEL-XBFCOCLRSA-N 0 3 310.350 1.037 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)CN(C)C ZINC000421793500 419733966 /nfs/dbraw/zinc/73/39/66/419733966.db2.gz WKLKZYLHQAUIIG-OAHLLOKOSA-N 0 3 309.366 1.254 20 5 DDBDHN CC(C)c1ccc(CNC[C@@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000414961082 419892313 /nfs/dbraw/zinc/89/23/13/419892313.db2.gz IHJBWWSXLYMDSE-AWEZNQCLSA-N 0 3 306.410 1.711 20 5 DDBDHN COc1ccc(CN[C@@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000414997538 419908263 /nfs/dbraw/zinc/90/82/63/419908263.db2.gz HUXJUJNIXWOHEA-GFCCVEGCSA-N 0 3 301.293 1.690 20 5 DDBDHN CC(C)(NC(=O)NC[C@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000418767605 419974199 /nfs/dbraw/zinc/97/41/99/419974199.db2.gz OEHPCHYITYHEQL-CYBMUJFWSA-N 0 3 322.365 1.118 20 5 DDBDHN Cc1c(NC(=O)C(=O)N[C@H](CN)CC(C)C)cccc1[N+](=O)[O-] ZINC000415428093 420061023 /nfs/dbraw/zinc/06/10/23/420061023.db2.gz OHEXYTZXHCWFQC-NSHDSACASA-N 0 3 322.365 1.331 20 5 DDBDHN CCCC[C@H](CN)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000415506310 420094008 /nfs/dbraw/zinc/09/40/08/420094008.db2.gz ZTRXVCFGNKYZDS-LLVKDONJSA-N 0 3 322.365 1.475 20 5 DDBDHN NC1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCCCC1 ZINC000423827417 420212930 /nfs/dbraw/zinc/21/29/30/420212930.db2.gz NUEGBANODZCTFO-UHFFFAOYSA-N 0 3 321.381 1.616 20 5 DDBDHN CC1(C)CCCN1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000450953315 420569321 /nfs/dbraw/zinc/56/93/21/420569321.db2.gz XWHBCPSEZLDHNX-UHFFFAOYSA-N 0 3 307.354 1.375 20 5 DDBDHN CNc1nc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000455613540 421044087 /nfs/dbraw/zinc/04/40/87/421044087.db2.gz NMCYNRGQIZQYGM-LLVKDONJSA-N 0 3 319.365 1.340 20 5 DDBDHN O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CNCCC1(F)F ZINC000449660860 421050144 /nfs/dbraw/zinc/05/01/44/421050144.db2.gz HGHJWQYOMSDYFW-LLVKDONJSA-N 0 3 314.292 1.120 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000455329565 420997269 /nfs/dbraw/zinc/99/72/69/420997269.db2.gz JOEUUJHOAXZLIL-RNCFNFMXSA-N 0 3 308.313 1.902 20 5 DDBDHN CCN1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000455367271 421003046 /nfs/dbraw/zinc/00/30/46/421003046.db2.gz ONWKYQPJVHNVSU-UHFFFAOYSA-N 0 3 321.381 1.588 20 5 DDBDHN COc1ccc(CNC[C@@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000449390791 421005036 /nfs/dbraw/zinc/00/50/36/421005036.db2.gz WVPKZKXSNPGFHO-AWEZNQCLSA-N 0 3 323.393 1.540 20 5 DDBDHN CC(COC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496001000 421116349 /nfs/dbraw/zinc/11/63/49/421116349.db2.gz CZQRUZXOYOFBIV-UWVGGRQHSA-N 0 3 304.343 1.698 20 5 DDBDHN CC[C@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)NC ZINC000449770620 421080723 /nfs/dbraw/zinc/08/07/23/421080723.db2.gz GAMOIEILECLMBB-MFKMUULPSA-N 0 3 322.365 1.426 20 5 DDBDHN Cc1nc(NC(C)(C)CCN2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000450460177 421200420 /nfs/dbraw/zinc/20/04/20/421200420.db2.gz NACCUUHTEAGUHH-UHFFFAOYSA-N 0 3 322.413 1.521 20 5 DDBDHN CNc1nccc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000566467334 421606077 /nfs/dbraw/zinc/60/60/77/421606077.db2.gz VVEUIIFKMWEJEA-LLVKDONJSA-N 0 3 321.381 1.586 20 5 DDBDHN CNc1ccc(C(=O)NCC2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000537361681 421727776 /nfs/dbraw/zinc/72/77/76/421727776.db2.gz CJSQRQPBDGBKLJ-UHFFFAOYSA-N 0 3 304.350 1.628 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@H](O)CCOC(C)C ZINC000571874671 421749313 /nfs/dbraw/zinc/74/93/13/421749313.db2.gz CIOPYDWNAXVKNJ-CQSZACIVSA-N 0 3 312.366 1.869 20 5 DDBDHN C[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000557071812 421759138 /nfs/dbraw/zinc/75/91/38/421759138.db2.gz QIGIMNNMWVROEC-SNVBAGLBSA-N 0 3 307.354 1.264 20 5 DDBDHN C[C@H](O)[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000543141265 421833555 /nfs/dbraw/zinc/83/35/55/421833555.db2.gz USEHCVPIPDLEBB-MELADBBJSA-N 0 3 324.377 1.427 20 5 DDBDHN CC(C)N1CCC(N(C)C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000573017459 421900110 /nfs/dbraw/zinc/90/01/10/421900110.db2.gz GEZSOWHNDVKJEG-UHFFFAOYSA-N 0 3 321.381 1.517 20 5 DDBDHN O=[N+]([O-])c1ccc2c(ccnc2NCCN2CC[C@@H](O)C2)c1 ZINC000599175676 422404366 /nfs/dbraw/zinc/40/43/66/422404366.db2.gz HNEOJGJYVNLVJP-CYBMUJFWSA-N 0 3 302.334 1.622 20 5 DDBDHN C[C@H](NCCCS(=O)(=O)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000342295888 271369375 /nfs/dbraw/zinc/36/93/75/271369375.db2.gz PWUYMILHAOHBPP-NSHDSACASA-N 0 3 315.395 1.527 20 5 DDBDHN CN(CCN1CCCC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000089898888 281027814 /nfs/dbraw/zinc/02/78/14/281027814.db2.gz LMYHBNIMFITUBB-UHFFFAOYSA-N 0 3 306.366 1.221 20 5 DDBDHN O=[N+]([O-])c1c[nH]c(-c2nc(CC3=N[C@H]4CCCC[C@@H]4N3)no2)c1 ZINC000357932441 299023987 /nfs/dbraw/zinc/02/39/87/299023987.db2.gz IIAGGMPYICEATD-UWVGGRQHSA-N 0 3 316.321 1.828 20 5 DDBDHN Cc1c(CC(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000368587737 301058458 /nfs/dbraw/zinc/05/84/58/301058458.db2.gz DRYJEIJFSCZHAM-BBRMVZONSA-N 0 3 317.389 1.998 20 5 DDBDHN O=[N+]([O-])c1cccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000369234880 301147647 /nfs/dbraw/zinc/14/76/47/301147647.db2.gz GCSQBHFHGIFESZ-JKSUJKDBSA-N 0 3 305.378 1.626 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H]3OCC[C@H]3C2)c1 ZINC000376034706 302027997 /nfs/dbraw/zinc/02/79/97/302027997.db2.gz MDQJISUIVLKWBF-DUVNUKRYSA-N 0 3 322.361 1.445 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CC[NH2+]C[C@@H]1C ZINC000262808411 302048400 /nfs/dbraw/zinc/04/84/00/302048400.db2.gz XNIHRYPAAWKSAO-WDEREUQCSA-N 0 3 313.379 1.180 20 5 DDBDHN CC1(C)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000377394527 302176702 /nfs/dbraw/zinc/17/67/02/302176702.db2.gz XPHRXGXGAFRKMW-CQSZACIVSA-N 0 3 324.377 1.835 20 5 DDBDHN CN(C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000531624266 303252128 /nfs/dbraw/zinc/25/21/28/303252128.db2.gz HUPRFSBKHKRQGX-UHFFFAOYSA-N 0 3 314.345 1.981 20 5 DDBDHN Cc1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000558732637 303781733 /nfs/dbraw/zinc/78/17/33/303781733.db2.gz XGKUBYYFTJYSGE-HNNXBMFYSA-N 0 3 317.345 1.828 20 5 DDBDHN O=[N+]([O-])c1ccc(CCN2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000363733872 307034555 /nfs/dbraw/zinc/03/45/55/307034555.db2.gz UIEPAPWYMWVXIT-IRXDYDNUSA-N 0 3 319.405 1.668 20 5 DDBDHN O=[N+]([O-])c1ccc(CCN2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000363733870 307034587 /nfs/dbraw/zinc/03/45/87/307034587.db2.gz UIEPAPWYMWVXIT-DLBZAZTESA-N 0 3 319.405 1.668 20 5 DDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)CNCC2 ZINC000367643111 307100111 /nfs/dbraw/zinc/10/01/11/307100111.db2.gz LNJGRALGACNJNT-UHFFFAOYSA-N 0 3 313.317 1.470 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000377645099 307275438 /nfs/dbraw/zinc/27/54/38/307275438.db2.gz BNGGDEYZRINVDP-UKRRQHHQSA-N 0 3 315.377 1.863 20 5 DDBDHN O=C1NC[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])CC[C@@H]12 ZINC000377683741 307275755 /nfs/dbraw/zinc/27/57/55/307275755.db2.gz UZVIEAWEUMLMOZ-VXGBXAGGSA-N 0 3 305.334 1.042 20 5 DDBDHN O=C1CC[C@H](CN2CCc3c(cccc3[N+](=O)[O-])C2)CCN1 ZINC000577586086 308398897 /nfs/dbraw/zinc/39/88/97/308398897.db2.gz SDOQBLYUPJMUSV-LBPRGKRZSA-N 0 3 303.362 1.869 20 5 DDBDHN CC(C)(CN1CCCC1)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000452098821 527080417 /nfs/dbraw/zinc/08/04/17/527080417.db2.gz UVPGRQYBBLIFOH-UHFFFAOYSA-N 0 3 320.393 1.997 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](Nc3ccccc3)C2)c1 ZINC000157918879 527414090 /nfs/dbraw/zinc/41/40/90/527414090.db2.gz WUFWFEURDZEYAX-AWEZNQCLSA-N 0 3 301.350 1.978 20 5 DDBDHN C[C@H](C(=O)N1CCN2CC[C@H]1C2)c1ccc([N+](=O)[O-])cc1F ZINC000597709133 545667583 /nfs/dbraw/zinc/66/75/83/545667583.db2.gz VZSCXGLMWAPXLQ-JQWIXIFHSA-N 0 3 307.325 1.754 20 5 DDBDHN C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736854499 598504042 /nfs/dbraw/zinc/50/40/42/598504042.db2.gz CYZJMABRABLCLL-JTQLQIEISA-N 0 3 317.353 1.529 20 5 DDBDHN C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736854499 598504036 /nfs/dbraw/zinc/50/40/36/598504036.db2.gz CYZJMABRABLCLL-JTQLQIEISA-N 0 3 317.353 1.529 20 5 DDBDHN C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736854499 598504037 /nfs/dbraw/zinc/50/40/37/598504037.db2.gz CYZJMABRABLCLL-JTQLQIEISA-N 0 3 317.353 1.529 20 5 DDBDHN C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736854499 598504039 /nfs/dbraw/zinc/50/40/39/598504039.db2.gz CYZJMABRABLCLL-JTQLQIEISA-N 0 3 317.353 1.529 20 5 DDBDHN CN(C)C1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000119521774 696681807 /nfs/dbraw/zinc/68/18/07/696681807.db2.gz SDQTZHNWKJDECN-UHFFFAOYSA-N 0 3 306.366 1.607 20 5 DDBDHN CNC(=O)C1(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000776593697 698124194 /nfs/dbraw/zinc/12/41/94/698124194.db2.gz WHTGUXQRTWODCK-ZDUSSCGKSA-N 0 3 307.350 1.277 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@H](n3cncn3)C2)cc1 ZINC000776879245 698145208 /nfs/dbraw/zinc/14/52/08/698145208.db2.gz SKVWYKBZUYXXPZ-UONOGXRCSA-N 0 3 303.322 1.167 20 5 DDBDHN O=C1NCC2(CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000781991318 698669699 /nfs/dbraw/zinc/66/96/99/698669699.db2.gz FGYLMRLZJLQORG-UHFFFAOYSA-N 0 3 305.334 1.712 20 5 DDBDHN CN1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000762721635 700904826 /nfs/dbraw/zinc/90/48/26/700904826.db2.gz BSRKWECKIKRBHI-CYBMUJFWSA-N 0 3 313.741 1.045 20 5 DDBDHN Cc1c(NC(=O)[C@@H](C)N[C@H](CO)C2CC2)cccc1[N+](=O)[O-] ZINC000771814620 701332538 /nfs/dbraw/zinc/33/25/38/701332538.db2.gz ATGBZBUVSMMCTF-ZWNOBZJWSA-N 0 3 307.350 1.591 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000816950097 702234488 /nfs/dbraw/zinc/23/44/88/702234488.db2.gz LVEWAWGJOSJTTG-HZMBPMFUSA-N 0 3 323.324 1.275 20 5 DDBDHN CC(COC(=O)Cc1ccn(-c2ccc(F)cc2)n1)[N+](=O)[O-] ZINC000813102785 702291311 /nfs/dbraw/zinc/29/13/11/702291311.db2.gz VNDSBMUVXAUCHG-SNVBAGLBSA-N 0 3 307.281 1.762 20 5 DDBDHN Cc1nn(CCC(=O)OCC(C)[N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000813104561 702292159 /nfs/dbraw/zinc/29/21/59/702292159.db2.gz DVLCEWRLEALHIP-SSDOTTSWSA-N 0 3 300.271 1.007 20 5 DDBDHN CC(C)CNC(=O)N1CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813105752 702292959 /nfs/dbraw/zinc/29/29/59/702292959.db2.gz UCDRRSOULKDCGI-NWDGAFQWSA-N 0 3 315.370 1.272 20 5 DDBDHN CCS(=O)(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110497 702296469 /nfs/dbraw/zinc/29/64/69/702296469.db2.gz BZPCWPPLDSHTNH-SECBINFHSA-N 0 3 301.320 1.302 20 5 DDBDHN CC([C@@H](OC(=O)[C@H]1[C@@H]2COC[C@@H]21)c1ccccc1F)[N+](=O)[O-] ZINC000851108337 703780985 /nfs/dbraw/zinc/78/09/85/703780985.db2.gz MFZNZVWLFHEMKY-NGGRDIAXSA-N 0 3 309.293 1.968 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2cnc3n2CCCC3)c1 ZINC000819299513 704103481 /nfs/dbraw/zinc/10/34/81/704103481.db2.gz YYYVADIEKHMOPC-HNNXBMFYSA-N 0 3 316.361 1.951 20 5 DDBDHN CCOC(=O)Cc1ccc(N(C)CC2CN(C)C2)c([N+](=O)[O-])c1 ZINC000853824398 704321848 /nfs/dbraw/zinc/32/18/48/704321848.db2.gz FFEAQOJNJGMXID-UHFFFAOYSA-N 0 3 321.377 1.698 20 5 DDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000874827730 705186119 /nfs/dbraw/zinc/18/61/19/705186119.db2.gz SWYYQWWTDQFOBI-RRFJBIMHSA-N 0 3 319.361 1.323 20 5 DDBDHN CNc1c(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)cccc1[N+](=O)[O-] ZINC000874833542 705190919 /nfs/dbraw/zinc/19/09/19/705190919.db2.gz LUCXSJHPRPNANT-STQMWFEESA-N 0 3 318.377 1.945 20 5 DDBDHN CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)C1CCN(C)CC1 ZINC000861892073 705596486 /nfs/dbraw/zinc/59/64/86/705596486.db2.gz AAMQOTBFUZEKJO-UHFFFAOYSA-N 0 3 307.354 1.128 20 5 DDBDHN O=C(NC[C@H]1CNCCO1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876916535 705922521 /nfs/dbraw/zinc/92/25/21/705922521.db2.gz CSQUOHRIKGBGDP-CYBMUJFWSA-N 0 3 315.329 1.466 20 5 DDBDHN C/C(=C\C(=O)NCCN1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000863833367 706024570 /nfs/dbraw/zinc/02/45/70/706024570.db2.gz PIANAICXVPDSEJ-PABFRNLHSA-N 0 3 319.361 1.181 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000827626289 706039843 /nfs/dbraw/zinc/03/98/43/706039843.db2.gz VHAHOYQPYMMQOU-ZNMIVQPWSA-N 0 3 303.362 1.909 20 5 DDBDHN COc1ccncc1CNC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877547995 706139267 /nfs/dbraw/zinc/13/92/67/706139267.db2.gz CECBKWBXTVRSDI-UHFFFAOYSA-N 0 3 303.322 1.688 20 5 DDBDHN Cn1nccc1[C@H](O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000927133461 712945760 /nfs/dbraw/zinc/94/57/60/712945760.db2.gz YWJXCQRRHRXNMR-IUODEOHRSA-N 0 3 302.334 1.639 20 5 DDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C1CN(C2CCOCC2)C1 ZINC000899910607 709235073 /nfs/dbraw/zinc/23/50/73/709235073.db2.gz JLGPQUMZSBVYNN-UHFFFAOYSA-N 0 3 305.334 1.644 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889778942 709630905 /nfs/dbraw/zinc/63/09/05/709630905.db2.gz CEBSESVAAWCXKD-CABCVRRESA-N 0 3 319.361 1.266 20 5 DDBDHN CC(C)(C(=O)NCCN1CCC(C)(C)C1)n1cc([N+](=O)[O-])cn1 ZINC000890078355 709737156 /nfs/dbraw/zinc/73/71/56/709737156.db2.gz BOKFKIGVCSMRMM-UHFFFAOYSA-N 0 3 323.397 1.375 20 5 DDBDHN CC(=O)c1ccc(N2CC[C@@](O)(CN(C)C)C2)c([N+](=O)[O-])c1 ZINC000895009071 711365032 /nfs/dbraw/zinc/36/50/32/711365032.db2.gz OZAVZUMDANKPLW-OAHLLOKOSA-N 0 3 307.350 1.300 20 5 DDBDHN Cc1cnccc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126777666 742106186 /nfs/dbraw/zinc/10/61/86/742106186.db2.gz YHDVJNMTPABHJO-UHFFFAOYSA-N 0 3 314.345 1.818 20 5 DDBDHN C[C@@H](N)c1ccn(-c2ccc([N+](=O)[O-])c3c2CCN(C)C3)n1 ZINC001169234355 762293160 /nfs/dbraw/zinc/29/31/60/762293160.db2.gz HPXICHIDRHPOPW-SNVBAGLBSA-N 0 3 301.350 1.788 20 5 DDBDHN NCc1cnnn1-c1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001169311517 762358932 /nfs/dbraw/zinc/35/89/32/762358932.db2.gz YKENUKNUPSFOQN-UHFFFAOYSA-N 0 3 316.090 1.536 20 5 DDBDHN COc1ccc(CN(C)C)cc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001135853660 771753753 /nfs/dbraw/zinc/75/37/53/771753753.db2.gz CCGAJSWUFRIMDB-UHFFFAOYSA-N 0 3 319.321 1.640 20 5 DDBDHN Cc1ccc(NCCNC(=O)CN(C)C(C)C)c([N+](=O)[O-])c1 ZINC001093673910 774987975 /nfs/dbraw/zinc/98/79/75/774987975.db2.gz CIJWPVSJZVYNNU-UHFFFAOYSA-N 0 3 308.382 1.772 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N[C@@H]1C=CS(=O)(=O)C1)CC2 ZINC001172899753 776914686 /nfs/dbraw/zinc/91/46/86/776914686.db2.gz PCUYOEZYKVUONR-ZIAGYGMSSA-N 0 3 322.386 1.743 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](NC1(CCO)COC1)CC2 ZINC001172899613 776914872 /nfs/dbraw/zinc/91/48/72/776914872.db2.gz BAEUYKMALVJQEM-CQSZACIVSA-N 0 3 306.362 1.583 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)OC[C@@H]1CCN1C(C)(C)C ZINC001123028251 859062762 /nfs/dbraw/zinc/06/27/62/859062762.db2.gz AOJZUVSNBSDBCF-NSHDSACASA-N 0 3 310.354 1.516 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CC1CCCC1 ZINC001154264694 860931977 /nfs/dbraw/zinc/93/19/77/860931977.db2.gz NANQWIHVSVCEKX-UHFFFAOYSA-N 0 3 323.397 1.505 20 5 DDBDHN NCc1cnnn1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001158420690 864642787 /nfs/dbraw/zinc/64/27/87/864642787.db2.gz WJGNSLJTNRNOST-UHFFFAOYSA-N 0 3 304.644 1.291 20 5 DDBDHN Cc1c(CC[NH3+])c(=O)[n-]n1-c1nccc2ccc([N+](=O)[O-])cc21 ZINC001159299895 865210508 /nfs/dbraw/zinc/21/05/08/865210508.db2.gz FPEGHLAOTMPUGT-UHFFFAOYSA-N 0 3 313.317 1.844 20 5 DDBDHN Cc1cc(Cl)nc(N[C@@H](C)[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159499697 865355526 /nfs/dbraw/zinc/35/55/26/865355526.db2.gz UYPMPPVSLOVATO-DTWKUNHWSA-N 0 3 300.746 1.740 20 5 DDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CN2CCC1CC2 ZINC001336078523 868718734 /nfs/dbraw/zinc/71/87/34/868718734.db2.gz DNQFYFCMRBPJKN-CYBMUJFWSA-N 0 3 319.361 1.574 20 5 DDBDHN O=[N+]([O-])c1c2cccnc2ccc1N1CC(N[C@H]2CCOC2)C1 ZINC001164234777 869043981 /nfs/dbraw/zinc/04/39/81/869043981.db2.gz VIFODLWXKBEMNB-NSHDSACASA-N 0 3 314.345 1.710 20 5 DDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CN2CCC1CC2 ZINC001337358916 869450397 /nfs/dbraw/zinc/45/03/97/869450397.db2.gz WDAFKLMDKUAADG-HNNXBMFYSA-N 0 3 303.362 1.738 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3C[C@@H](O)[C@@H](O)C3)o2)cc1 ZINC001308523646 871505530 /nfs/dbraw/zinc/50/55/30/871505530.db2.gz QPIAEYYPJZKQOV-UWEBFBLFSA-N 0 3 318.329 1.829 20 5 DDBDHN CN(C)CCCS(=O)(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001348564481 874636641 /nfs/dbraw/zinc/63/66/41/874636641.db2.gz ZSDVLNUDILTPEC-UHFFFAOYSA-N 0 3 313.379 1.192 20 5 DDBDHN Nc1ncc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC001300131224 876971069 /nfs/dbraw/zinc/97/10/69/876971069.db2.gz ODWSCNNCXSVDSC-NEPJUHHUSA-N 0 3 319.365 1.319 20 5 DDBDHN O=C1CCNC[C@@H]1N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246297303 892523288 /nfs/dbraw/zinc/52/32/88/892523288.db2.gz YZHHXQSTXOOHKA-ZFWWWQNUSA-N 0 3 303.362 1.363 20 5 DDBDHN O=c1[nH][n-]cc1CCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573334 896507887 /nfs/dbraw/zinc/50/78/87/896507887.db2.gz XYVDBFLKCMEKNX-AAEUAGOBSA-N 0 3 302.334 1.164 20 5 DDBDHN COC(=O)CO[C@H]1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254609954 896530431 /nfs/dbraw/zinc/53/04/31/896530431.db2.gz GRMZEZKUBIZNCB-CABCVRRESA-N 0 3 320.345 1.326 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CCO)C(C)C ZINC000162260242 197555476 /nfs/dbraw/zinc/55/54/76/197555476.db2.gz PJSYUXNTSYBMHS-ZDUSSCGKSA-N 0 3 309.366 1.838 20 5 DDBDHN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1CCO ZINC000451650411 231151226 /nfs/dbraw/zinc/15/12/26/231151226.db2.gz DOCULUYDIVSLIK-OKILXGFUSA-N 0 3 323.393 1.361 20 5 DDBDHN CN(C)C[C@@](C)(O)CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255380503 282253308 /nfs/dbraw/zinc/25/33/08/282253308.db2.gz UDIJOUIMVYSALH-AJHXJQRKSA-N 0 3 307.350 1.037 20 5 DDBDHN CN1CC[C@]2(CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292406063 529811015 /nfs/dbraw/zinc/81/10/15/529811015.db2.gz ZENBIKWCNXTRFN-INIZCTEOSA-N 0 3 303.362 1.692 20 5 DDBDHN COc1cc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272655470 282318121 /nfs/dbraw/zinc/31/81/21/282318121.db2.gz QOENHQLPGOEZRN-BXUZGUMPSA-N 0 3 319.361 1.770 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC(C)(C)CN1CCCC1 ZINC000457016989 231965093 /nfs/dbraw/zinc/96/50/93/231965093.db2.gz CIXCHOSZRVWWIY-UHFFFAOYSA-N 0 3 306.366 1.902 20 5 DDBDHN COC[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000181702081 199340844 /nfs/dbraw/zinc/34/08/44/199340844.db2.gz CDSIFFBCRVJEST-HUUCEWRRSA-N 0 3 320.349 1.130 20 5 DDBDHN CN1CCC[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000052519051 352613160 /nfs/dbraw/zinc/61/31/60/352613160.db2.gz WMYVTTSXKJSPTE-CYBMUJFWSA-N 0 3 321.381 1.400 20 5 DDBDHN CN(CCNC(=O)Cn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000054264782 352685265 /nfs/dbraw/zinc/68/52/65/352685265.db2.gz JTVBQZHAZITPJE-UHFFFAOYSA-N 0 3 317.349 1.040 20 5 DDBDHN COc1cc(C(=O)NCCN(C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000066924574 353025685 /nfs/dbraw/zinc/02/56/85/353025685.db2.gz CFWLUGLLBHWKCQ-UHFFFAOYSA-N 0 3 323.349 1.436 20 5 DDBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000066924584 353026101 /nfs/dbraw/zinc/02/61/01/353026101.db2.gz QVCPADCKOFYGBS-UHFFFAOYSA-N 0 3 308.294 1.327 20 5 DDBDHN C[C@@H]1CCCN(CCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000067292729 353043106 /nfs/dbraw/zinc/04/31/06/353043106.db2.gz RVHYUOHTBHMKPO-GFCCVEGCSA-N 0 3 309.370 1.030 20 5 DDBDHN COCCN1CCC[C@@H]1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000069530436 353165891 /nfs/dbraw/zinc/16/58/91/353165891.db2.gz MFNWOOPFSQZOLW-CQSZACIVSA-N 0 3 321.377 1.744 20 5 DDBDHN O=C1C[C@@]2(CN1)CCCN(CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000072833170 353220566 /nfs/dbraw/zinc/22/05/66/353220566.db2.gz SFOQKXYOGOBYLU-MRXNPFEDSA-N 0 3 303.362 1.739 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000073900369 353277500 /nfs/dbraw/zinc/27/75/00/353277500.db2.gz ZKTKQJIKKXSIKF-AWEZNQCLSA-N 0 3 306.366 1.878 20 5 DDBDHN Cc1ccc([C@H](C)NC[C@@H](O)CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000089514843 353774491 /nfs/dbraw/zinc/77/44/91/353774491.db2.gz RNHIHAXAYDNYNE-GXTWGEPZSA-N 0 3 321.377 1.537 20 5 DDBDHN C[C@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CN1C1CC1 ZINC000589584119 355002353 /nfs/dbraw/zinc/00/23/53/355002353.db2.gz GCANXYHTCVQIKG-JOYOIKCWSA-N 0 3 306.366 1.706 20 5 DDBDHN CN(C(=O)CN1CC[C@H]2CN(C)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000590012326 355040511 /nfs/dbraw/zinc/04/05/11/355040511.db2.gz QWZXLAMFDMQCFV-SWLSCSKDSA-N 0 3 318.377 1.194 20 5 DDBDHN Cc1c(CC(=O)N2CC[C@H]3CN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590046690 355043304 /nfs/dbraw/zinc/04/33/04/355043304.db2.gz MMNCGAYGBVSGDE-DZGCQCFKSA-N 0 3 303.362 1.608 20 5 DDBDHN Cc1c(CC(=O)N2CC[C@H]3CN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590046697 355043323 /nfs/dbraw/zinc/04/33/23/355043323.db2.gz MMNCGAYGBVSGDE-ZFWWWQNUSA-N 0 3 303.362 1.608 20 5 DDBDHN CN(C)C(=O)C1(NCCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000591046335 355237948 /nfs/dbraw/zinc/23/79/48/355237948.db2.gz JXBWYMKMXORJKQ-UHFFFAOYSA-N 0 3 307.350 1.574 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(CN)c1 ZINC000592284900 355552227 /nfs/dbraw/zinc/55/22/27/355552227.db2.gz FTAWJUMIXPYFRZ-UHFFFAOYSA-N 0 3 303.322 1.587 20 5 DDBDHN NC[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000594451006 356222047 /nfs/dbraw/zinc/22/20/47/356222047.db2.gz BADXGXNJNRDOAT-MRVPVSSYSA-N 0 3 317.227 1.091 20 5 DDBDHN CC(C)[C@H](NCCn1cc([N+](=O)[O-])cn1)[C@H](O)C(F)(F)F ZINC000595483714 356512600 /nfs/dbraw/zinc/51/26/00/356512600.db2.gz VECAHSLBXSIMMD-UWVGGRQHSA-N 0 3 310.276 1.329 20 5 DDBDHN CN1CC[C@]2(CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)C1 ZINC000294031671 283169641 /nfs/dbraw/zinc/16/96/41/283169641.db2.gz ZWHBSYHXYCVVBH-HNNXBMFYSA-N 0 3 304.350 1.345 20 5 DDBDHN C[C@H](O)[C@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595771467 356645715 /nfs/dbraw/zinc/64/57/15/356645715.db2.gz PJEUYFDCULYJAL-CORIIIEPSA-N 0 3 310.350 1.180 20 5 DDBDHN CN(C)C(=O)N(C)[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595825005 356666272 /nfs/dbraw/zinc/66/62/72/356666272.db2.gz BVEYSDXKDQTYKE-OAHLLOKOSA-N 0 3 320.393 1.825 20 5 DDBDHN COC1CCN(CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596160395 356796865 /nfs/dbraw/zinc/79/68/65/356796865.db2.gz VBAJSDFRDVXCMC-UHFFFAOYSA-N 0 3 322.365 1.216 20 5 DDBDHN C[NH+](C)CCC[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596565968 356919507 /nfs/dbraw/zinc/91/95/07/356919507.db2.gz JKRAUALKUMLCOA-LLVKDONJSA-N 0 3 310.354 1.242 20 5 DDBDHN COC(=O)c1ccnc(NC[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000598587287 357642092 /nfs/dbraw/zinc/64/20/92/357642092.db2.gz OECSGIXGODAUMP-SNVBAGLBSA-N 0 3 320.349 1.673 20 5 DDBDHN COC(=O)c1ccnc(N[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000598599463 357648754 /nfs/dbraw/zinc/64/87/54/357648754.db2.gz OIWMFSGPDNZREM-NXEZZACHSA-N 0 3 308.338 1.671 20 5 DDBDHN COc1c(C(=O)N2CCN[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000598571969 357636742 /nfs/dbraw/zinc/63/67/42/357636742.db2.gz ITRDOMWHZDOUQY-LBPRGKRZSA-N 0 3 307.350 1.673 20 5 DDBDHN CC(C)[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CCN1 ZINC000598577106 357639020 /nfs/dbraw/zinc/63/90/20/357639020.db2.gz VPHWVDNEALJXBQ-AWEZNQCLSA-N 0 3 320.393 1.853 20 5 DDBDHN CC(C)N1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000347912966 283298093 /nfs/dbraw/zinc/29/80/93/283298093.db2.gz LTVHKPFURJYCIC-LLVKDONJSA-N 0 3 306.366 1.780 20 5 DDBDHN COC(=O)[C@]1(OC)CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000599562860 357975028 /nfs/dbraw/zinc/97/50/28/357975028.db2.gz IUINBVPKTOQQAR-HNNXBMFYSA-N 0 3 308.334 1.401 20 5 DDBDHN CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CN2CCC1CC2 ZINC000348002113 283327059 /nfs/dbraw/zinc/32/70/59/283327059.db2.gz SRKXINLPAJGNBK-OAHLLOKOSA-N 0 3 319.361 1.526 20 5 DDBDHN CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000599986729 358096603 /nfs/dbraw/zinc/09/66/03/358096603.db2.gz YPHAQINRQZUIIQ-UHFFFAOYSA-N 0 3 323.397 1.998 20 5 DDBDHN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000599986729 358096605 /nfs/dbraw/zinc/09/66/05/358096605.db2.gz YPHAQINRQZUIIQ-UHFFFAOYSA-N 0 3 323.397 1.998 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000600756096 358309153 /nfs/dbraw/zinc/30/91/53/358309153.db2.gz MFDHSBNFFFKHTD-JGGQBBKZSA-N 0 3 322.361 1.492 20 5 DDBDHN Cc1cc(S(=O)(=O)[N-]CC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601465803 358565456 /nfs/dbraw/zinc/56/54/56/358565456.db2.gz ZKHGISBGGHZNQH-MRVPVSSYSA-N 0 3 321.424 1.583 20 5 DDBDHN C[C@H]1CC(C)(C)C[C@@](CO)(NCc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602793214 359195313 /nfs/dbraw/zinc/19/53/13/359195313.db2.gz HXJNLILJEOHGSZ-NHYWBVRUSA-N 0 3 310.398 1.995 20 5 DDBDHN CO[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)[C@](C)(CO)C1 ZINC000602965033 359329430 /nfs/dbraw/zinc/32/94/30/359329430.db2.gz YDDXYAJCFPXIQG-CABCVRRESA-N 0 3 310.350 1.445 20 5 DDBDHN CN(CCCNCc1csc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000604532184 359761712 /nfs/dbraw/zinc/76/17/12/359761712.db2.gz HHVLVSJLPPYQPE-UHFFFAOYSA-N 0 3 307.397 1.027 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@]1(CCO)CCOC1 ZINC000579375915 422759806 /nfs/dbraw/zinc/75/98/06/422759806.db2.gz BDIXKEUFSNVROA-GDBMZVCRSA-N 0 3 306.362 1.961 20 5 DDBDHN CCN(CCO)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000188829761 200309218 /nfs/dbraw/zinc/30/92/18/200309218.db2.gz XSFJUPYQGXHRFY-UHFFFAOYSA-N 0 3 310.354 1.339 20 5 DDBDHN CN1CCC[C@H](N2CCN(c3ccsc3[N+](=O)[O-])CC2)C1 ZINC000609674474 360343132 /nfs/dbraw/zinc/34/31/32/360343132.db2.gz HBJMZBRFGZRJHO-LBPRGKRZSA-N 0 3 310.423 1.873 20 5 DDBDHN CN1CCC[C@@H](N2CCN(c3cccnc3[N+](=O)[O-])CC2)C1 ZINC000609675159 360344315 /nfs/dbraw/zinc/34/43/15/360344315.db2.gz ZVPIIDLMKINKNR-CYBMUJFWSA-N 0 3 305.382 1.206 20 5 DDBDHN O=[N+]([O-])c1ncccc1N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000610489146 360449752 /nfs/dbraw/zinc/44/97/52/360449752.db2.gz HKTBIYKBDXYICG-ZDUSSCGKSA-N 0 3 306.366 1.681 20 5 DDBDHN Cc1ccnc(N2CCCN(C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000610489303 360450258 /nfs/dbraw/zinc/45/02/58/360450258.db2.gz ZPNJQYQRZLQPJQ-CQSZACIVSA-N 0 3 320.393 1.989 20 5 DDBDHN CN(CCc1cccc([N+](=O)[O-])c1)CCn1ccccc1=O ZINC000619785403 364149743 /nfs/dbraw/zinc/14/97/43/364149743.db2.gz CVGADKBDDGXFCO-UHFFFAOYSA-N 0 3 301.346 1.931 20 5 DDBDHN C[C@@H](CO)N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000351525013 284361888 /nfs/dbraw/zinc/36/18/88/284361888.db2.gz QOGNVFXFJSMYJZ-NSHDSACASA-N 0 3 321.377 1.819 20 5 DDBDHN CC(C)N(CCN1C(=O)CNC1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350006 248203137 /nfs/dbraw/zinc/20/31/37/248203137.db2.gz AYYPLZSXCDDNLY-UHFFFAOYSA-N 0 3 320.349 1.357 20 5 DDBDHN COc1ccc(CNCCSCCCO)cc1[N+](=O)[O-] ZINC000106469891 194218811 /nfs/dbraw/zinc/21/88/11/194218811.db2.gz UDGZORCDWBTGAA-UHFFFAOYSA-N 0 3 300.380 1.809 20 5 DDBDHN Cc1c(C(=O)NC[C@@](C)(O)CCN(C)C)cccc1[N+](=O)[O-] ZINC000352123520 284802307 /nfs/dbraw/zinc/80/23/07/284802307.db2.gz VNKXPFBBXYBRAH-HNNXBMFYSA-N 0 3 309.366 1.336 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000341062314 251362829 /nfs/dbraw/zinc/36/28/29/251362829.db2.gz PTDMHUDCRINCOH-RYUDHWBXSA-N 0 3 323.397 1.479 20 5 DDBDHN C[C@@H]1CCC[C@@H](C)N1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000341097794 251378518 /nfs/dbraw/zinc/37/85/18/251378518.db2.gz ISXWOGSQCWRASM-GHMZBOCLSA-N 0 3 321.381 1.764 20 5 DDBDHN CNc1c(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000425069367 533040758 /nfs/dbraw/zinc/04/07/58/533040758.db2.gz UVLVPOIMSBMYIC-SMDDNHRTSA-N 0 3 318.377 1.803 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCN1CCC(O)CC1 ZINC000294841274 224257691 /nfs/dbraw/zinc/25/76/91/224257691.db2.gz MMECDJVRVHPCIY-UHFFFAOYSA-N 0 3 323.393 1.540 20 5 DDBDHN C[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@@H](C)CN1 ZINC000568858485 304316411 /nfs/dbraw/zinc/31/64/11/304316411.db2.gz DJLTYQUGROUXJA-IUCAKERBSA-N 0 3 303.322 1.430 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)Cn1ccnn1 ZINC000569081580 304334626 /nfs/dbraw/zinc/33/46/26/304334626.db2.gz CLZLJIVIVAWMJW-WCQYABFASA-N 0 3 305.338 1.206 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC1CCN(CCOC)CC1 ZINC000360967145 299784861 /nfs/dbraw/zinc/78/48/61/299784861.db2.gz XQSSRXJPXWFVQK-UHFFFAOYSA-N 0 3 311.386 1.642 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(CCN(C)C)c1 ZINC000072064497 406874042 /nfs/dbraw/zinc/87/40/42/406874042.db2.gz JABCRKJEHNTNNM-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN CCN(CCCNCc1csc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000038035611 406998052 /nfs/dbraw/zinc/99/80/52/406998052.db2.gz KOSILNCDRSTYHH-UHFFFAOYSA-N 0 3 321.424 1.418 20 5 DDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@H]1CSCCN1 ZINC000091136178 407179668 /nfs/dbraw/zinc/17/96/68/407179668.db2.gz QCQFFYBFMWHTSH-LBPRGKRZSA-N 0 3 309.391 1.648 20 5 DDBDHN CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1N(C)C ZINC000271205480 407574439 /nfs/dbraw/zinc/57/44/39/407574439.db2.gz XTYTZKXTXPGTFW-RYUDHWBXSA-N 0 3 324.406 1.295 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H](C3OCCO3)C2)c1 ZINC000178859912 407630444 /nfs/dbraw/zinc/63/04/44/407630444.db2.gz WGOPHAAYUSPEPK-ZFWWWQNUSA-N 0 3 322.361 1.713 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000267339940 407841517 /nfs/dbraw/zinc/84/15/17/407841517.db2.gz DJXCKXVTGWECAJ-ZDUSSCGKSA-N 0 3 306.366 1.457 20 5 DDBDHN C[C@H](NCCNC(=O)c1ccn[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000180210124 407866778 /nfs/dbraw/zinc/86/67/78/407866778.db2.gz GRFFODFDBKHRAN-JTQLQIEISA-N 0 3 303.322 1.399 20 5 DDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)N(C)C ZINC000272334630 407872250 /nfs/dbraw/zinc/87/22/50/407872250.db2.gz WBYOJELSNWVYKN-QMMMGPOBSA-N 0 3 317.292 1.876 20 5 DDBDHN Cc1nc(NC2CCN(CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000268429981 408040996 /nfs/dbraw/zinc/04/09/96/408040996.db2.gz BAHFZVQOOBQHFL-UHFFFAOYSA-N 0 3 307.398 1.736 20 5 DDBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2n[nH]cc2[N+](=O)[O-])o1 ZINC000154531016 408048491 /nfs/dbraw/zinc/04/84/91/408048491.db2.gz WFXJZPQJXCEQLY-UHFFFAOYSA-N 0 3 321.337 1.423 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000119718472 408107750 /nfs/dbraw/zinc/10/77/50/408107750.db2.gz QLQRBTJNFHRUJJ-GFCCVEGCSA-N 0 3 321.381 1.419 20 5 DDBDHN CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000155875661 408222591 /nfs/dbraw/zinc/22/25/91/408222591.db2.gz ZPNQOWAGECOHJE-UHFFFAOYSA-N 0 3 303.265 1.488 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2C[C@H]3CCCN3C[C@H]2C)c1[N+](=O)[O-] ZINC000269328120 408270565 /nfs/dbraw/zinc/27/05/65/408270565.db2.gz DMSYRUHWKIRJJX-GHMZBOCLSA-N 0 3 321.381 1.750 20 5 DDBDHN Cc1cc(S(=O)(=O)N2CCCNCC2)cc([N+](=O)[O-])c1F ZINC000183117429 408331752 /nfs/dbraw/zinc/33/17/52/408331752.db2.gz FZFPKCDKBRZELQ-UHFFFAOYSA-N 0 3 317.342 1.026 20 5 DDBDHN CN1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cn2)C1 ZINC000131941709 162026629 /nfs/dbraw/zinc/02/66/29/162026629.db2.gz OXYUEYIJUHKHFX-SECBINFHSA-N 0 3 321.366 1.079 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CN1C1CC1 ZINC000177081911 408514255 /nfs/dbraw/zinc/51/42/55/408514255.db2.gz XZISOKHRSOTQCL-PSASIEDQSA-N 0 3 322.340 1.671 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000177205443 408551266 /nfs/dbraw/zinc/55/12/66/408551266.db2.gz YFHHWYWDYAIPOT-WDEREUQCSA-N 0 3 319.361 1.958 20 5 DDBDHN CN(C)Cc1cccc(CNC(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000161095828 408559012 /nfs/dbraw/zinc/55/90/12/408559012.db2.gz XZBLPIXGVNMCBV-UHFFFAOYSA-N 0 3 317.349 1.320 20 5 DDBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000161369034 408593962 /nfs/dbraw/zinc/59/39/62/408593962.db2.gz AHUMEXGWCLDOTE-SKDRFNHKSA-N 0 3 324.356 1.775 20 5 DDBDHN COC(=O)c1cnc(NCCN2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000276603373 408891342 /nfs/dbraw/zinc/89/13/42/408891342.db2.gz RKWAURUKTXANDU-NSHDSACASA-N 0 3 322.365 1.920 20 5 DDBDHN CCCN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286238472 408947235 /nfs/dbraw/zinc/94/72/35/408947235.db2.gz OMIBUJMNMOOHRX-UHFFFAOYSA-N 0 3 309.370 1.656 20 5 DDBDHN C[C@H]1C[C@H](N2CCOCC2)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000286223735 408945007 /nfs/dbraw/zinc/94/50/07/408945007.db2.gz YVIGNNKPZVQCDH-BBRMVZONSA-N 0 3 305.378 1.890 20 5 DDBDHN CCN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286380147 408974529 /nfs/dbraw/zinc/97/45/29/408974529.db2.gz GQCPNUWKIGOSSU-ZFWWWQNUSA-N 0 3 323.393 1.361 20 5 DDBDHN CN1CC[C@]2(CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292345717 409026278 /nfs/dbraw/zinc/02/62/78/409026278.db2.gz QJGFJSZJQQEMQF-HNNXBMFYSA-N 0 3 304.350 1.226 20 5 DDBDHN CN1CCN(CCNCc2csc([N+](=O)[O-])c2)CC1(C)C ZINC000282369882 409042114 /nfs/dbraw/zinc/04/21/14/409042114.db2.gz NUHZKJGLCSWRAT-UHFFFAOYSA-N 0 3 312.439 1.772 20 5 DDBDHN NC(=O)c1ccc(CN[C@H]2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000279167516 409161893 /nfs/dbraw/zinc/16/18/93/409161893.db2.gz BRFSSMVVFNQKJF-GWCFXTLKSA-N 0 3 307.350 1.334 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CN1C1CC1 ZINC000279492337 409224042 /nfs/dbraw/zinc/22/40/42/409224042.db2.gz RSEFPJUUPNLAIC-IUCAKERBSA-N 0 3 322.340 1.671 20 5 DDBDHN C[C@H](NCCN1CCOCC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284115883 409278024 /nfs/dbraw/zinc/27/80/24/409278024.db2.gz NNSOWJVKYUMNNH-LBPRGKRZSA-N 0 3 322.409 1.938 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CCC[NH3+])cc1C ZINC000314169125 164013159 /nfs/dbraw/zinc/01/31/59/164013159.db2.gz NBPRCHPZVNMQOL-NSHDSACASA-N 0 3 315.395 1.617 20 5 DDBDHN C[C@@H](NC1CC1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000296466098 409568519 /nfs/dbraw/zinc/56/85/19/409568519.db2.gz PAYAOVOOMHWDTQ-GFCCVEGCSA-N 0 3 318.377 1.384 20 5 DDBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H](C)C1 ZINC000346224435 409862929 /nfs/dbraw/zinc/86/29/29/409862929.db2.gz NUHFUYOGNIDLPV-DMDPSCGWSA-N 0 3 306.366 1.725 20 5 DDBDHN COc1cc(C(=O)N[C@@H](C)CN(C)C)cc([N+](=O)[O-])c1OC ZINC000346253279 409880269 /nfs/dbraw/zinc/88/02/69/409880269.db2.gz GWWRYGNXTVZYAS-VIFPVBQESA-N 0 3 311.338 1.292 20 5 DDBDHN CN(C(=O)c1c(N)cccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000354479355 409883800 /nfs/dbraw/zinc/88/38/00/409883800.db2.gz NQKIWLYTLJJYEW-NSHDSACASA-N 0 3 304.350 1.486 20 5 DDBDHN COc1cc(Cc2noc([C@H]3CCN(C)C3)n2)ccc1[N+](=O)[O-] ZINC000350154635 409927917 /nfs/dbraw/zinc/92/79/17/409927917.db2.gz DXFXTFSVPRWMJF-NSHDSACASA-N 0 3 318.333 1.996 20 5 DDBDHN COc1ccc(NC(=O)CCN(CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000297947088 410056250 /nfs/dbraw/zinc/05/62/50/410056250.db2.gz SMTCVPCZEHHDJH-UHFFFAOYSA-N 0 3 323.349 1.389 20 5 DDBDHN CC(C)(C)[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000298757317 410386183 /nfs/dbraw/zinc/38/61/83/410386183.db2.gz WXWSKIUBXGSMPG-ZDUSSCGKSA-N 0 3 322.365 1.413 20 5 DDBDHN CN(C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000298853701 410422619 /nfs/dbraw/zinc/42/26/19/410422619.db2.gz ALXWPEJSAWFBNM-UHFFFAOYSA-N 0 3 302.334 1.915 20 5 DDBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000352111827 410487643 /nfs/dbraw/zinc/48/76/43/410487643.db2.gz NNVVEFMPXRPIBS-GFCCVEGCSA-N 0 3 301.368 1.089 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCCN1C ZINC000343583803 410551619 /nfs/dbraw/zinc/55/16/19/410551619.db2.gz ZKEAPTRZIIRKNT-MWLCHTKSSA-N 0 3 321.333 1.536 20 5 DDBDHN CN1CC[C@@](O)(CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000352361263 410646428 /nfs/dbraw/zinc/64/64/28/410646428.db2.gz QQDFKBUHXQKLTA-OAHLLOKOSA-N 0 3 302.334 1.622 20 5 DDBDHN COc1cc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000330679904 410873713 /nfs/dbraw/zinc/87/37/13/410873713.db2.gz YESWMKLXPYYBOU-PWSUYJOCSA-N 0 3 309.366 1.881 20 5 DDBDHN COc1cc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000330679904 410873720 /nfs/dbraw/zinc/87/37/20/410873720.db2.gz YESWMKLXPYYBOU-PWSUYJOCSA-N 0 3 309.366 1.881 20 5 DDBDHN C[C@@H]1CCN(C)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341242895 410961272 /nfs/dbraw/zinc/96/12/72/410961272.db2.gz XMZCJYDKTSSBKO-CYBMUJFWSA-N 0 3 320.393 1.873 20 5 DDBDHN Cc1nn(C)c(C(=O)NCCN2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000331293361 411062335 /nfs/dbraw/zinc/06/23/35/411062335.db2.gz LVBGSHHWWQYMRX-UHFFFAOYSA-N 0 3 323.397 1.489 20 5 DDBDHN Cc1cc(N2CCCN([C@@H](C)CO)CC2)c(F)cc1[N+](=O)[O-] ZINC000360054363 411022944 /nfs/dbraw/zinc/02/29/44/411022944.db2.gz SVEKSMPTHXNQPY-LBPRGKRZSA-N 0 3 311.357 1.935 20 5 DDBDHN CCS(=O)(=O)N1CC(CNCc2csc([N+](=O)[O-])c2)C1 ZINC000190285415 222074155 /nfs/dbraw/zinc/07/41/55/222074155.db2.gz PEANZQQYDPDDPV-UHFFFAOYSA-N 0 3 319.408 1.027 20 5 DDBDHN CNc1c(C(=O)N(C)[C@H]2CCN(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000361220808 418608433 /nfs/dbraw/zinc/60/84/33/418608433.db2.gz MNRSOIYXDAIYCS-LBPRGKRZSA-N 0 3 318.377 1.945 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](OC)C1 ZINC000361362590 418635729 /nfs/dbraw/zinc/63/57/29/418635729.db2.gz UDTLKZJMRWVYEJ-GFCCVEGCSA-N 0 3 323.349 1.653 20 5 DDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000364468282 418778214 /nfs/dbraw/zinc/77/82/14/418778214.db2.gz ZOLKBZIFPFNPDL-UONOGXRCSA-N 0 3 305.334 1.188 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000365848496 418916248 /nfs/dbraw/zinc/91/62/48/418916248.db2.gz QFUIPEZKRCNXNL-INIZCTEOSA-N 0 3 316.361 1.427 20 5 DDBDHN CCOc1cc(CN2CC[C@@H](C(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000420970435 419393539 /nfs/dbraw/zinc/39/35/39/419393539.db2.gz GGCGKUSMWZXDKZ-GFCCVEGCSA-N 0 3 307.350 1.561 20 5 DDBDHN CN(C)C(=O)[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000411948239 419512487 /nfs/dbraw/zinc/51/24/87/419512487.db2.gz UOMRNIVGVCFORE-GFCCVEGCSA-N 0 3 307.350 1.384 20 5 DDBDHN Cc1n[n-]c(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000299561418 229211128 /nfs/dbraw/zinc/21/11/28/229211128.db2.gz UBBVREAHYMURGW-QMMMGPOBSA-N 0 3 306.326 1.197 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCC[C@@H]1C(N)=O ZINC000430216877 420091510 /nfs/dbraw/zinc/09/15/10/420091510.db2.gz JKIWCDLJTOVJQE-QWHCGFSZSA-N 0 3 307.350 1.737 20 5 DDBDHN CN(C)C1(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000416294487 420310632 /nfs/dbraw/zinc/31/06/32/420310632.db2.gz YLWRSODMFAUORC-UHFFFAOYSA-N 0 3 309.391 1.897 20 5 DDBDHN COc1ccc(OCCN2C[C@H](C)C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000452069491 420620778 /nfs/dbraw/zinc/62/07/78/420620778.db2.gz PZPKGFHNALMULA-VXGBXAGGSA-N 0 3 310.350 1.685 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCNc1cnccn1)CCC2 ZINC000447582153 420783768 /nfs/dbraw/zinc/78/37/68/420783768.db2.gz YFXFSJHVKJXWFV-OAHLLOKOSA-N 0 3 313.361 2.464 20 5 DDBDHN O=C(NC[C@@H]1CCCCN1CCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000454269363 420827019 /nfs/dbraw/zinc/82/70/19/420827019.db2.gz FNSCDMOKEDHGAP-AWEZNQCLSA-N 0 3 322.365 1.563 20 5 DDBDHN CNc1nc(C(=O)N(C)CC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000455437343 421013398 /nfs/dbraw/zinc/01/33/98/421013398.db2.gz AHABEUJAJKNRMQ-UHFFFAOYSA-N 0 3 321.381 1.445 20 5 DDBDHN CNc1nc(C(=O)NC2(CN(C)C)CCC2)ccc1[N+](=O)[O-] ZINC000456029656 421090731 /nfs/dbraw/zinc/09/07/31/421090731.db2.gz FKOMUMPSLQUENS-UHFFFAOYSA-N 0 3 307.354 1.246 20 5 DDBDHN CC(COC(=O)CCN(C(=O)OC(C)(C)C)C1CC1)[N+](=O)[O-] ZINC000496157600 421141592 /nfs/dbraw/zinc/14/15/92/421141592.db2.gz INZZLTVKIJHWER-SNVBAGLBSA-N 0 3 316.354 1.984 20 5 DDBDHN CC(COC(=O)CC1(CNC(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000496252732 421164242 /nfs/dbraw/zinc/16/42/42/421164242.db2.gz HNFSJEWQWGFCBW-JTQLQIEISA-N 0 3 316.354 1.890 20 5 DDBDHN CN(c1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCN(CCO)CC1 ZINC000450312502 421180513 /nfs/dbraw/zinc/18/05/13/421180513.db2.gz MGOHAUAUCQEDPM-UHFFFAOYSA-N 0 3 319.365 1.364 20 5 DDBDHN Cc1cc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000514857133 421460793 /nfs/dbraw/zinc/46/07/93/421460793.db2.gz ZQKOPSKPYXSNIN-CQSZACIVSA-N 0 3 320.349 1.166 20 5 DDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)N1CCCC[C@@H]1C ZINC000518219674 421645993 /nfs/dbraw/zinc/64/59/93/421645993.db2.gz KWOKYFZKZOMHLP-RYUDHWBXSA-N 0 3 308.382 1.926 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000518313422 421646502 /nfs/dbraw/zinc/64/65/02/421646502.db2.gz AVAQGOUMYAXZHL-CYBMUJFWSA-N 0 3 322.365 1.367 20 5 DDBDHN CCc1ccc(C(=O)NCCOCCN(C)C)cc1[N+](=O)[O-] ZINC000537547320 421730263 /nfs/dbraw/zinc/73/02/63/421730263.db2.gz LNSBCWDVPHBJNI-UHFFFAOYSA-N 0 3 309.366 1.465 20 5 DDBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000570823143 421671313 /nfs/dbraw/zinc/67/13/13/421671313.db2.gz IIRUFYPNYNHLON-NSHDSACASA-N 0 3 321.381 1.518 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)c1[N+](=O)[O-] ZINC000521988069 421810231 /nfs/dbraw/zinc/81/02/31/421810231.db2.gz FLBSVNJCRMWWQQ-WDEREUQCSA-N 0 3 321.381 1.579 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)c1[N+](=O)[O-] ZINC000521988069 421810232 /nfs/dbraw/zinc/81/02/32/421810232.db2.gz FLBSVNJCRMWWQQ-WDEREUQCSA-N 0 3 321.381 1.579 20 5 DDBDHN C[C@@H]1Oc2ccccc2[C@@H]1NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574270756 422085189 /nfs/dbraw/zinc/08/51/89/422085189.db2.gz KAFZKLYAKIMREW-ITDIGPHOSA-N 0 3 318.333 1.264 20 5 DDBDHN CC[C@@H]1CN(C)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578589560 422602348 /nfs/dbraw/zinc/60/23/48/422602348.db2.gz ZVUCRLSZDBDBCQ-UKRRQHHQSA-N 0 3 323.393 1.361 20 5 DDBDHN CCN(CCO)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000183918624 263383066 /nfs/dbraw/zinc/38/30/66/263383066.db2.gz MINOZUBZJMKLNA-UHFFFAOYSA-N 0 3 315.757 1.292 20 5 DDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000344650267 272079622 /nfs/dbraw/zinc/07/96/22/272079622.db2.gz WSCPQTMEOUJZFR-NSHDSACASA-N 0 3 309.370 1.179 20 5 DDBDHN CN(C)[C@@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000281097936 273807271 /nfs/dbraw/zinc/80/72/71/273807271.db2.gz DVWAWHJGXSFMPT-LLVKDONJSA-N 0 3 317.349 1.774 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H]1CCS(=O)(=O)C1)CCC2 ZINC000278354963 275037936 /nfs/dbraw/zinc/03/79/36/275037936.db2.gz ZRIGKXQSKBSKEY-ABAIWWIYSA-N 0 3 324.402 1.997 20 5 DDBDHN CCN1CC[C@@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000339395812 276220652 /nfs/dbraw/zinc/22/06/52/276220652.db2.gz LYMRGMPUKVYWSK-HOTGVXAUSA-N 0 3 305.378 1.890 20 5 DDBDHN C[C@H](Cn1cc(Br)cc([N+](=O)[O-])c1=O)N(C)C ZINC000331088150 279385083 /nfs/dbraw/zinc/38/50/83/279385083.db2.gz RQFXXXINEBZOSQ-SSDOTTSWSA-N 0 3 304.144 1.469 20 5 DDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408121486 280100874 /nfs/dbraw/zinc/10/08/74/280100874.db2.gz ODBQZITVONVRHH-QWRGUYRKSA-N 0 3 307.354 1.027 20 5 DDBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000126038390 281224257 /nfs/dbraw/zinc/22/42/57/281224257.db2.gz KGURSSPIIOIYIP-GOEBONIOSA-N 0 3 324.377 1.835 20 5 DDBDHN C[C@H](NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000246000726 281944272 /nfs/dbraw/zinc/94/42/72/281944272.db2.gz JBWRYHYPIMMCSQ-CQDKDKBSSA-N 0 3 321.377 1.881 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)Cn1cccn1 ZINC000354924525 298566034 /nfs/dbraw/zinc/56/60/34/298566034.db2.gz WCNVMNGKISHYNL-GFCCVEGCSA-N 0 3 317.349 1.717 20 5 DDBDHN N=C(NO)[C@@H]1CCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000363783566 300307323 /nfs/dbraw/zinc/30/73/23/300307323.db2.gz WZFYSDAUWZCMMS-LBPRGKRZSA-N 0 3 321.337 1.344 20 5 DDBDHN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@H]2O1 ZINC000368521638 301047899 /nfs/dbraw/zinc/04/78/99/301047899.db2.gz HJUXUHPKLRDUOJ-BFHYXJOUSA-N 0 3 324.381 1.184 20 5 DDBDHN COc1ccc(NC(=O)[C@@H](C)N2CCN[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000420340588 302383058 /nfs/dbraw/zinc/38/30/58/302383058.db2.gz SVOQWHSFZOKCJM-WDEREUQCSA-N 0 3 322.365 1.224 20 5 DDBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000356300536 306847058 /nfs/dbraw/zinc/84/70/58/306847058.db2.gz OUKZSHYDNPETKN-RYUDHWBXSA-N 0 3 306.366 1.632 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)NCCN2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000532913477 303301869 /nfs/dbraw/zinc/30/18/69/303301869.db2.gz FHWDBHZJXBSXAP-SNVBAGLBSA-N 0 3 309.370 1.513 20 5 DDBDHN COC(=O)c1cnc(N2CC[C@H]3CCN(C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000365078311 307057994 /nfs/dbraw/zinc/05/79/94/307057994.db2.gz STZDXCWYRUIEIG-MFKMUULPSA-N 0 3 320.349 1.307 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000366633686 307078122 /nfs/dbraw/zinc/07/81/22/307078122.db2.gz CKYCFGSEKRTCIW-OCCSQVGLSA-N 0 3 319.409 1.777 20 5 DDBDHN CCOCC[C@@H](O)CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373105552 307178751 /nfs/dbraw/zinc/17/87/51/307178751.db2.gz AMDVVFHJZAYRGF-TZMCWYRMSA-N 0 3 312.370 1.216 20 5 DDBDHN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000495858231 307320890 /nfs/dbraw/zinc/32/08/90/307320890.db2.gz XSKUJHNVVKXABG-UWVGGRQHSA-N 0 3 304.343 1.744 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H](N2CCCCC2)C1 ZINC000531628940 307620517 /nfs/dbraw/zinc/62/05/17/307620517.db2.gz DVTMZJXXOUPEQY-CYBMUJFWSA-N 0 3 304.350 1.690 20 5 DDBDHN C[C@H](NC[C@@H](O)COC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000553407096 307830386 /nfs/dbraw/zinc/83/03/86/307830386.db2.gz XWIDHAGSALNVLJ-BFHYXJOUSA-N 0 3 324.377 1.802 20 5 DDBDHN COCCN(C)C[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574168849 308264031 /nfs/dbraw/zinc/26/40/31/308264031.db2.gz KUTFCXRCVTYYPU-SWLSCSKDSA-N 0 3 311.382 1.185 20 5 DDBDHN C[C@H](CN1CCOCC1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577529763 308396398 /nfs/dbraw/zinc/39/63/98/308396398.db2.gz YZOQZTFUZDCTPP-DOMZBBRYSA-N 0 3 305.378 1.892 20 5 DDBDHN CCN1C[C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000583317484 337314618 /nfs/dbraw/zinc/31/46/18/337314618.db2.gz KMTBXWKSYPSXLS-NSHDSACASA-N 0 3 320.349 1.134 20 5 DDBDHN O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3CSCCN3)c2c1 ZINC000603418989 483933884 /nfs/dbraw/zinc/93/38/84/483933884.db2.gz KQUUZNYVYSIMGU-SECBINFHSA-N 0 3 305.363 1.655 20 5 DDBDHN CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361591239 484521757 /nfs/dbraw/zinc/52/17/57/484521757.db2.gz YPNRDUHHDYWNKI-CHWSQXEVSA-N 0 3 310.350 1.445 20 5 DDBDHN COC(=O)c1cc(NC(=O)[C@@H](N)C2CCC2)cc([N+](=O)[O-])c1 ZINC000423003514 533881122 /nfs/dbraw/zinc/88/11/22/533881122.db2.gz MOLXTVKPSIIYHY-LBPRGKRZSA-N 0 3 307.306 1.447 20 5 DDBDHN C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)CN1CCO ZINC000419000364 533987995 /nfs/dbraw/zinc/98/79/95/533987995.db2.gz OGAHVCDWMXBZHS-QWRGUYRKSA-N 0 3 319.365 1.362 20 5 DDBDHN CC(C)(C)NC(=O)CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331017171 526314268 /nfs/dbraw/zinc/31/42/68/526314268.db2.gz PUHVYBUSKTZPPN-VXGBXAGGSA-N 0 3 323.397 1.779 20 5 DDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000108298493 696633397 /nfs/dbraw/zinc/63/33/97/696633397.db2.gz NDQRTCFYLXDGDM-GFCCVEGCSA-N 0 3 307.325 1.948 20 5 DDBDHN CC[C@](C)(CC(=O)OC)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000134050526 696833058 /nfs/dbraw/zinc/83/30/58/696833058.db2.gz MKLKNMUGAOHXLJ-OAHLLOKOSA-N 0 3 323.349 1.855 20 5 DDBDHN Cc1nc(CN(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)co1 ZINC000985425331 697508685 /nfs/dbraw/zinc/50/86/85/697508685.db2.gz GBNNQOQDYJGOMF-ZIAGYGMSSA-N 0 3 322.365 1.071 20 5 DDBDHN CNC(=O)[C@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582442 698121737 /nfs/dbraw/zinc/12/17/37/698121737.db2.gz QOYVJOBTSZLIDS-GXTWGEPZSA-N 0 3 307.350 1.086 20 5 DDBDHN O=C1NCC2(CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000781996087 698671014 /nfs/dbraw/zinc/67/10/14/698671014.db2.gz YJJWVLRZMPHJOM-UHFFFAOYSA-N 0 3 321.333 1.548 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1(N(C)C)CCC1 ZINC000763027644 700920631 /nfs/dbraw/zinc/92/06/31/700920631.db2.gz ALSIPNBIRRAXGZ-UHFFFAOYSA-N 0 3 307.350 1.704 20 5 DDBDHN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804396398 701185989 /nfs/dbraw/zinc/18/59/89/701185989.db2.gz HFJVLQHZTHVVKU-MNOVXSKESA-N 0 3 322.321 1.778 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CCO)C1CC1 ZINC000771797448 701330973 /nfs/dbraw/zinc/33/09/73/701330973.db2.gz ADGMMDGSCKXBCP-GFCCVEGCSA-N 0 3 323.349 1.293 20 5 DDBDHN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813110532 702296088 /nfs/dbraw/zinc/29/60/88/702296088.db2.gz COORYLFRYFNBHN-OCCSQVGLSA-N 0 3 322.361 1.722 20 5 DDBDHN COc1ccccc1N1C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813113393 702298119 /nfs/dbraw/zinc/29/81/19/702298119.db2.gz CYQAGWWUALHKPN-GHMZBOCLSA-N 0 3 322.317 1.257 20 5 DDBDHN Cc1cc(F)ccc1-n1cc(C(=O)OCC(C)[N+](=O)[O-])nn1 ZINC000813113424 702298435 /nfs/dbraw/zinc/29/84/35/702298435.db2.gz PUCSVKMERDABBZ-SECBINFHSA-N 0 3 308.269 1.537 20 5 DDBDHN CC(COC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O)[N+](=O)[O-] ZINC000813114498 702299411 /nfs/dbraw/zinc/29/94/11/702299411.db2.gz RTUVUCMBHVIFJP-BXKDBHETSA-N 0 3 310.281 1.387 20 5 DDBDHN COc1ccc(Cn2cc(C(=O)OCC(C)[N+](=O)[O-])cn2)cc1 ZINC000813114836 702299450 /nfs/dbraw/zinc/29/94/50/702299450.db2.gz HPCKGQLJHIRQCR-NSHDSACASA-N 0 3 319.317 1.762 20 5 DDBDHN Cc1cc(C(=O)N(C)C[C@H]2CCCN2C)c(N)c([N+](=O)[O-])c1 ZINC000817677554 702447972 /nfs/dbraw/zinc/44/79/72/702447972.db2.gz XYAUDSJEAVRPAH-LLVKDONJSA-N 0 3 306.366 1.652 20 5 DDBDHN CN(C)CC(C)(C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000841530239 702481903 /nfs/dbraw/zinc/48/19/03/702481903.db2.gz RIUMOIDPXUAOEV-UHFFFAOYSA-N 0 3 307.397 1.275 20 5 DDBDHN O=[N+]([O-])c1ccc(Cc2noc(C[C@@H]3CSCCN3)n2)nc1 ZINC000843191331 702838120 /nfs/dbraw/zinc/83/81/20/702838120.db2.gz DNYYBSHBTRCCCX-SNVBAGLBSA-N 0 3 321.362 1.211 20 5 DDBDHN CC(C)(C)N1CC[C@@H]1COC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000845741123 703195999 /nfs/dbraw/zinc/19/59/99/703195999.db2.gz RXVFZFAGAJTKQP-LLVKDONJSA-N 0 3 310.354 1.597 20 5 DDBDHN CC(COC(=O)CC1(NC(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000851036146 703774638 /nfs/dbraw/zinc/77/46/38/703774638.db2.gz GAPSLEMAHYPMIT-VIFPVBQESA-N 0 3 302.327 1.642 20 5 DDBDHN CCS(=O)(=O)CCCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819367168 704114129 /nfs/dbraw/zinc/11/41/29/704114129.db2.gz DTGNPVDMTJIASB-ZDUSSCGKSA-N 0 3 316.379 1.043 20 5 DDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823125435 705147535 /nfs/dbraw/zinc/14/75/35/705147535.db2.gz YZZZIJNEVDBXNO-ZDUSSCGKSA-N 0 3 315.414 1.391 20 5 DDBDHN CNc1c(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)cccc1[N+](=O)[O-] ZINC000874833538 705191560 /nfs/dbraw/zinc/19/15/60/705191560.db2.gz LUCXSJHPRPNANT-OLZOCXBDSA-N 0 3 318.377 1.945 20 5 DDBDHN COCCN1CCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000861032007 705352990 /nfs/dbraw/zinc/35/29/90/705352990.db2.gz GSPUXGCNGNBKDG-AWEZNQCLSA-N 0 3 308.334 1.862 20 5 DDBDHN O=C1N[C@H](CN2CCCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000927177239 712949962 /nfs/dbraw/zinc/94/99/62/712949962.db2.gz ZARXAJCLKBEADV-CYBMUJFWSA-N 0 3 318.333 1.506 20 5 DDBDHN Cc1c(CNCCC(=O)N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000873042452 707705273 /nfs/dbraw/zinc/70/52/73/707705273.db2.gz ODLCSWZYHAFQND-UHFFFAOYSA-N 0 3 320.393 1.157 20 5 DDBDHN Cc1c(CNC[C@@H]2CC[C@H](C(=O)N(C)C)O2)cccc1[N+](=O)[O-] ZINC000873100933 707732485 /nfs/dbraw/zinc/73/24/85/707732485.db2.gz JFLDRMWLZHQZRB-DZGCQCFKSA-N 0 3 321.377 1.629 20 5 DDBDHN COC(=O)c1ccnc(NCCN2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000897247832 708268179 /nfs/dbraw/zinc/26/81/79/708268179.db2.gz GKZGSXLPJYCGTB-UHFFFAOYSA-N 0 3 322.365 1.920 20 5 DDBDHN Cn1cc(COC(=O)C2CN(C3CCCCC3)C2)c([N+](=O)[O-])n1 ZINC000884548838 708326831 /nfs/dbraw/zinc/32/68/31/708326831.db2.gz TVOQODOTZUVVLL-UHFFFAOYSA-N 0 3 322.365 1.636 20 5 DDBDHN O=[N+]([O-])c1ncccc1CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000885953832 708670362 /nfs/dbraw/zinc/67/03/62/708670362.db2.gz GXGJSLYWTGMXSY-HNNXBMFYSA-N 0 3 320.393 1.677 20 5 DDBDHN NC(=O)c1ccc(CN2C[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000886564354 708777632 /nfs/dbraw/zinc/77/76/32/708777632.db2.gz UKHQTVIZYDXZNO-TXEJJXNPSA-N 0 3 307.375 1.489 20 5 DDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCC2)C1 ZINC000912914491 713122733 /nfs/dbraw/zinc/12/27/33/713122733.db2.gz BHMPVTYMQDBCAY-OAHLLOKOSA-N 0 3 303.362 1.834 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCN1C ZINC000928438659 713195963 /nfs/dbraw/zinc/19/59/63/713195963.db2.gz GVYAKOOSOLDLNT-MFKMUULPSA-N 0 3 314.345 1.965 20 5 DDBDHN COc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000928431808 713192795 /nfs/dbraw/zinc/19/27/95/713192795.db2.gz HAPXCSUVRZWZBK-LDYMZIIASA-N 0 3 311.313 1.565 20 5 DDBDHN COc1ccc(CN[C@H]2CCO[C@]23CCOC3)cc1[N+](=O)[O-] ZINC000903083668 711027198 /nfs/dbraw/zinc/02/71/98/711027198.db2.gz LLNXLEMFCPJCBS-GJZGRUSLSA-N 0 3 308.334 1.641 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCO)C1CCN(C)CC1 ZINC000911937612 711077909 /nfs/dbraw/zinc/07/79/09/711077909.db2.gz XNHQOEKYJNNBOX-UHFFFAOYSA-N 0 3 321.377 1.432 20 5 DDBDHN O=[N+]([O-])CCNCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000905171505 711958802 /nfs/dbraw/zinc/95/88/02/711958802.db2.gz ADXBPAKQXXYTTR-UHFFFAOYSA-N 0 3 312.801 1.328 20 5 DDBDHN C[C@](CO)(NC[C@H]1CCC2(COC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000931468803 714104621 /nfs/dbraw/zinc/10/46/21/714104621.db2.gz FTCQXCMDLNPRGN-HUUCEWRRSA-N 0 3 322.361 1.340 20 5 DDBDHN CN1CCC[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000932069677 714251599 /nfs/dbraw/zinc/25/15/99/714251599.db2.gz FLGPCAXAEUGFFU-CFVMTHIKSA-N 0 3 303.362 1.909 20 5 DDBDHN C[C@H]1COC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000932494756 714346488 /nfs/dbraw/zinc/34/64/88/714346488.db2.gz QUUGWLWEMKGCHE-GWCFXTLKSA-N 0 3 305.334 1.108 20 5 DDBDHN O=[N+]([O-])c1ncccc1CN1CC[C@H]2[C@H]1CCCN2CCO ZINC000934275913 714784127 /nfs/dbraw/zinc/78/41/27/714784127.db2.gz RXEXAESRAXJRFJ-KGLIPLIRSA-N 0 3 306.366 1.021 20 5 DDBDHN CCc1nc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001022064774 734369648 /nfs/dbraw/zinc/36/96/48/734369648.db2.gz NDUATEDCHQNYON-RBLKWDMZSA-N 0 3 324.406 1.108 20 5 DDBDHN CCCN(C)CC(=O)N(C)CCN(C)c1ncccc1[N+](=O)[O-] ZINC001105442029 741696678 /nfs/dbraw/zinc/69/66/78/741696678.db2.gz WUPMNPGUKMLJIY-UHFFFAOYSA-N 0 3 323.397 1.226 20 5 DDBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c1[N+](=O)[O-] ZINC001181125092 743073560 /nfs/dbraw/zinc/07/35/60/743073560.db2.gz JAZZXTCUXGXRRQ-ZYHUDNBSSA-N 0 3 310.350 1.950 20 5 DDBDHN COCCCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001124573397 748335034 /nfs/dbraw/zinc/33/50/34/748335034.db2.gz SRYPWJSOBBXGQU-UHFFFAOYSA-N 0 3 309.366 1.617 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-n1cnc(CN)c1 ZINC001162304433 749438921 /nfs/dbraw/zinc/43/89/21/749438921.db2.gz JEEAHLMGDSZMPA-UHFFFAOYSA-N 0 3 310.697 1.679 20 5 DDBDHN CCCC(=O)N1CCC(CNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000997473507 750976027 /nfs/dbraw/zinc/97/60/27/750976027.db2.gz VXJHQRDIGRZGFT-UHFFFAOYSA-N 0 3 323.397 1.457 20 5 DDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(CCc3ccccn3)CC2)C1 ZINC001169027418 762183529 /nfs/dbraw/zinc/18/35/29/762183529.db2.gz PKSRSXRYQWTLNO-DOTOQJQBSA-N 0 3 318.421 1.687 20 5 DDBDHN CN(CCCNc1ncccc1[N+](=O)[O-])C(=O)CN1CCCC1 ZINC001109454650 763725535 /nfs/dbraw/zinc/72/55/35/763725535.db2.gz KXVBROIWHVKDCF-UHFFFAOYSA-N 0 3 321.381 1.346 20 5 DDBDHN Cc1c(CC[NH3+])c(=O)[n-]n1-c1nccc2c1cccc2[N+](=O)[O-] ZINC001170339948 766272910 /nfs/dbraw/zinc/27/29/10/766272910.db2.gz KEPJVOVKXPCHAI-UHFFFAOYSA-N 0 3 313.317 1.844 20 5 DDBDHN C[C@H]1CCCN(CCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001136225124 771917796 /nfs/dbraw/zinc/91/77/96/771917796.db2.gz TTZJPQDVKCJUFA-JTQLQIEISA-N 0 3 307.354 1.034 20 5 DDBDHN CC(C)N(C)CC(=O)NCCCNc1ncccc1[N+](=O)[O-] ZINC001094456733 775896369 /nfs/dbraw/zinc/89/63/69/775896369.db2.gz PREDZSGGTPZOSO-UHFFFAOYSA-N 0 3 309.370 1.248 20 5 DDBDHN COC(=O)[C@H]1CN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC001173231937 777063285 /nfs/dbraw/zinc/06/32/85/777063285.db2.gz PAVWENMSIMTQIQ-SWLSCSKDSA-N 0 3 322.361 1.790 20 5 DDBDHN CC(C)(C)N1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC001116324426 780496524 /nfs/dbraw/zinc/49/65/24/780496524.db2.gz LCJQQNNEPSPFOM-UHFFFAOYSA-N 0 3 320.393 1.610 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1cnns1 ZINC001155113761 861746552 /nfs/dbraw/zinc/74/65/52/861746552.db2.gz VZGGUUJOSJTIPZ-UHFFFAOYSA-N 0 3 321.362 1.356 20 5 DDBDHN COC(=O)c1cc(C(=O)N[C@H]2CCN(C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001155892647 862535987 /nfs/dbraw/zinc/53/59/87/862535987.db2.gz KSKAISRNXXEDDA-RNCFNFMXSA-N 0 3 321.333 1.204 20 5 DDBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCNC[C@@H]1c1cccs1 ZINC001156110877 862728832 /nfs/dbraw/zinc/72/88/32/862728832.db2.gz LTDMVLDIGKLLBW-GFCCVEGCSA-N 0 3 320.374 1.749 20 5 DDBDHN CN(C)Cc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c(F)c1 ZINC001142142530 861035001 /nfs/dbraw/zinc/03/50/01/861035001.db2.gz DGMXNNYPFWNTOS-UHFFFAOYSA-N 0 3 322.300 1.026 20 5 DDBDHN CC(C)=C(F)C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001156498409 863106185 /nfs/dbraw/zinc/10/61/85/863106185.db2.gz MZVPRJPICXGSQG-UHFFFAOYSA-N 0 3 313.333 1.188 20 5 DDBDHN COc1cc(C)nc(N2C[C@@H]3CCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157266355 863695262 /nfs/dbraw/zinc/69/52/62/863695262.db2.gz RBEHOKKRAQEZAW-NWDGAFQWSA-N 0 3 306.366 1.837 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccc(CN)nc1 ZINC001160397559 865815029 /nfs/dbraw/zinc/81/50/29/865815029.db2.gz VUBIAPFRUBOUSX-UHFFFAOYSA-N 0 3 303.278 1.374 20 5 DDBDHN COc1nc(C)c(NCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001161708670 866919977 /nfs/dbraw/zinc/91/99/77/866919977.db2.gz PYRBUWIZCORCNW-UHFFFAOYSA-N 0 3 323.397 1.356 20 5 DDBDHN C[C@H](N)c1nc2ccccc2n1-c1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001162766512 867808978 /nfs/dbraw/zinc/80/89/78/867808978.db2.gz OVICJURLTFMRSK-VIFPVBQESA-N 0 3 313.317 1.652 20 5 DDBDHN CCCC(=O)NCCC1(CNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001163162010 868175898 /nfs/dbraw/zinc/17/58/98/868175898.db2.gz KCKZCCFAYDQILK-UHFFFAOYSA-N 0 3 323.397 1.505 20 5 DDBDHN N[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C[C@H]1F ZINC001165116958 869385313 /nfs/dbraw/zinc/38/53/13/869385313.db2.gz LIQYIWXYVPGDBS-HTQZYQBOSA-N 0 3 310.663 1.674 20 5 DDBDHN CN(C)/C=C\c1cc(N2CCN3CC[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165198351 869422772 /nfs/dbraw/zinc/42/27/72/869422772.db2.gz JMNFRUIWKJPLIC-DXTPNHAXSA-N 0 3 303.366 1.416 20 5 DDBDHN NC(=O)c1ccccc1CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001166208455 869903823 /nfs/dbraw/zinc/90/38/23/869903823.db2.gz SVSOSERJJJFTAQ-UHFFFAOYSA-N 0 3 312.329 1.909 20 5 DDBDHN COc1ccc(C(=O)NC[C@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC001338295400 869909994 /nfs/dbraw/zinc/90/99/94/869909994.db2.gz RQQJKVGVHCVURI-GFCCVEGCSA-N 0 3 307.350 1.818 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(NC2CCN(C[C@H]3CCCO3)CC2)n1 ZINC001306932318 871383639 /nfs/dbraw/zinc/38/36/39/871383639.db2.gz RNFKDNKPUMLNKP-GFCCVEGCSA-N 0 3 309.370 1.384 20 5 DDBDHN CN(CCCNC(=O)CC(C)(C)O)Cc1ccc([N+](=O)[O-])cc1 ZINC001316821123 872114411 /nfs/dbraw/zinc/11/44/11/872114411.db2.gz LIDRLQBIBRFDEO-UHFFFAOYSA-N 0 3 323.393 1.694 20 5 DDBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001342628969 872304242 /nfs/dbraw/zinc/30/42/42/872304242.db2.gz JSZGOFKLQHOTDD-FRRDWIJNSA-N 0 3 321.377 1.961 20 5 DDBDHN CN1CCN(CCCO[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001206581155 872449000 /nfs/dbraw/zinc/44/90/00/872449000.db2.gz BGVPYZZLPJOQLZ-KRWDZBQOSA-N 0 3 319.405 1.716 20 5 DDBDHN Cc1nc(NCC(C)(C)N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001319130964 872454987 /nfs/dbraw/zinc/45/49/87/872454987.db2.gz UQYQUORJVAYEHK-UHFFFAOYSA-N 0 3 307.398 1.736 20 5 DDBDHN CC(COC(=O)C1(c2ccc3c(c2)OCCO3)CC1)[N+](=O)[O-] ZINC001344809626 873127304 /nfs/dbraw/zinc/12/73/04/873127304.db2.gz WXYNYNMFIIXBCM-SNVBAGLBSA-N 0 3 307.302 1.698 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(OCC(N)=O)CC1 ZINC001349597253 875253714 /nfs/dbraw/zinc/25/37/14/875253714.db2.gz VBZOACFUDSWQBP-UHFFFAOYSA-N 0 3 321.377 1.678 20 5 DDBDHN COC(=O)c1cc(CO[C@@H]2CCCN(C)C2)cc([N+](=O)[O-])c1 ZINC001223689055 881058357 /nfs/dbraw/zinc/05/83/57/881058357.db2.gz SYAGNIRAJSMFGO-CQSZACIVSA-N 0 3 308.334 1.992 20 5 DDBDHN O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@@H]2C[NH+]3CCC2CC3)[n-]1 ZINC001228241333 883402211 /nfs/dbraw/zinc/40/22/11/883402211.db2.gz AGVPNEWXYOXJRN-CYBMUJFWSA-N 0 3 316.317 1.717 20 5 DDBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2N[C@H]3CC[C@@H]2C3)n1 ZINC001248358986 893620979 /nfs/dbraw/zinc/62/09/79/893620979.db2.gz BRPRGPZXLFSUEW-PMVVWTBXSA-N 0 3 305.269 1.992 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@]1(O)CCO[C@@H]1C ZINC000278632765 214289690 /nfs/dbraw/zinc/28/96/90/214289690.db2.gz KVMFACUMQRARQZ-ABAIWWIYSA-N 0 3 310.350 1.623 20 5 DDBDHN C[C@@H](NCCC(=O)N1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000266884582 282303242 /nfs/dbraw/zinc/30/32/42/282303242.db2.gz PUTASQRFCPEKRI-CYBMUJFWSA-N 0 3 320.393 1.410 20 5 DDBDHN CCN1CCC[C@@H]1CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000286746684 219142799 /nfs/dbraw/zinc/14/27/99/219142799.db2.gz FKHDCRIYPOHZAQ-LLVKDONJSA-N 0 3 322.365 1.981 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000299354231 530063045 /nfs/dbraw/zinc/06/30/45/530063045.db2.gz AOZNWOHJBHBWPG-JTQLQIEISA-N 0 3 311.313 1.323 20 5 DDBDHN C[C@H](O)C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181869084 186213041 /nfs/dbraw/zinc/21/30/41/186213041.db2.gz NQFMQVSZCXLGJF-JSGCOSHPSA-N 0 3 324.377 1.427 20 5 DDBDHN CN1CCN(CCCCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000041362694 352304846 /nfs/dbraw/zinc/30/48/46/352304846.db2.gz CIBSNIOZVZVSBT-UHFFFAOYSA-N 0 3 320.393 1.352 20 5 DDBDHN Nc1c(C(=O)NC2CCN(C3CC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000048245996 352531739 /nfs/dbraw/zinc/53/17/39/352531739.db2.gz PJPUTVARHCYCSR-UHFFFAOYSA-N 0 3 322.340 1.673 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCNC2CC2)cc1C ZINC000054266975 352685211 /nfs/dbraw/zinc/68/52/11/352685211.db2.gz NLCKSZMZEOFIOG-UHFFFAOYSA-N 0 3 313.379 1.242 20 5 DDBDHN C[C@@H]1CCCN(CCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173101617 198184739 /nfs/dbraw/zinc/18/47/39/198184739.db2.gz GUMGIIAIKXVUAB-CYBMUJFWSA-N 0 3 305.378 1.985 20 5 DDBDHN C[C@@H]1COCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000331928305 234287818 /nfs/dbraw/zinc/28/78/18/234287818.db2.gz DCCVQIMWZFLELA-QWHCGFSZSA-N 0 3 310.350 1.303 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000139421255 354127956 /nfs/dbraw/zinc/12/79/56/354127956.db2.gz HNJWQCGMBKLLCG-LBPRGKRZSA-N 0 3 321.381 1.400 20 5 DDBDHN COc1cc(C(=O)NC2CCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000159379200 354233538 /nfs/dbraw/zinc/23/35/38/354233538.db2.gz ANNMAFVSJIHBMT-UHFFFAOYSA-N 0 3 319.361 1.960 20 5 DDBDHN CCCN(CCN1CCCC1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588070211 354899260 /nfs/dbraw/zinc/89/92/60/354899260.db2.gz QJSALJNBURXLKI-UHFFFAOYSA-N 0 3 322.409 1.982 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC000588966443 354952972 /nfs/dbraw/zinc/95/29/72/354952972.db2.gz ZIMUGFGVIKAJEX-WFASDCNBSA-N 0 3 310.350 1.039 20 5 DDBDHN COc1c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590447652 355099808 /nfs/dbraw/zinc/09/98/08/355099808.db2.gz ZRENJKZSRAHWEG-GWCFXTLKSA-N 0 3 305.334 1.380 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000591083760 355245556 /nfs/dbraw/zinc/24/55/56/355245556.db2.gz DPLHDZOLGYCNDL-HNKHHVNMSA-N 0 3 315.373 1.861 20 5 DDBDHN Cc1ncc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000591729220 355374171 /nfs/dbraw/zinc/37/41/71/355374171.db2.gz OPUSFZGUDILZTM-GFCCVEGCSA-N 0 3 323.374 1.889 20 5 DDBDHN COc1cc(C(=O)N2CCN[C@@H](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC000592248225 355546904 /nfs/dbraw/zinc/54/69/04/355546904.db2.gz WSQSJWXQWQIHSV-CYBMUJFWSA-N 0 3 321.377 1.982 20 5 DDBDHN CN(C[C@H]1CCCN1C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593175625 355817219 /nfs/dbraw/zinc/81/72/19/355817219.db2.gz WRBJKOAKQIAFHU-CYBMUJFWSA-N 0 3 309.341 1.829 20 5 DDBDHN CCC(C)(C)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000594390072 356194279 /nfs/dbraw/zinc/19/42/79/356194279.db2.gz RWTPEGNVQSOZSN-UHFFFAOYSA-N 0 3 309.370 1.124 20 5 DDBDHN CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CCN(C)CC1 ZINC000594656051 356277459 /nfs/dbraw/zinc/27/74/59/356277459.db2.gz QXLFFKMINNLSHZ-UHFFFAOYSA-N 0 3 321.333 1.490 20 5 DDBDHN O=C1CC[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1 ZINC000595745621 356633676 /nfs/dbraw/zinc/63/36/76/356633676.db2.gz YSSWJUZDQKGQDK-DOMZBBRYSA-N 0 3 319.361 1.574 20 5 DDBDHN O=C(N1CCc2ncc([N+](=O)[O-])cc2C1)C1(NC2CC2)CCC1 ZINC000595954462 356721524 /nfs/dbraw/zinc/72/15/24/356721524.db2.gz TUZCAJBBFMGDIO-UHFFFAOYSA-N 0 3 316.361 1.549 20 5 DDBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H]1N(C)C ZINC000596176614 356802765 /nfs/dbraw/zinc/80/27/65/356802765.db2.gz CPMGULUYUJGDBS-OLZOCXBDSA-N 0 3 324.406 1.176 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCC(N3CCCOCC3)CC2)nc1 ZINC000596268341 356839011 /nfs/dbraw/zinc/83/90/11/356839011.db2.gz JSQPODOBOZFYGM-UHFFFAOYSA-N 0 3 306.366 1.681 20 5 DDBDHN CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@H]1CCN(C)C1 ZINC000597945059 357393965 /nfs/dbraw/zinc/39/39/65/357393965.db2.gz HHVSOADOLBTNJP-LBPRGKRZSA-N 0 3 309.370 1.042 20 5 DDBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000598262879 357513038 /nfs/dbraw/zinc/51/30/38/357513038.db2.gz NDCKSBIZCSIADA-LBPRGKRZSA-N 0 3 309.370 1.028 20 5 DDBDHN Cc1n[nH]c(C(=O)N[C@@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598262870 357513182 /nfs/dbraw/zinc/51/31/82/357513182.db2.gz NAZJIEDOJZKWDH-JTQLQIEISA-N 0 3 309.370 1.477 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599102391 357815930 /nfs/dbraw/zinc/81/59/30/357815930.db2.gz FBQUFBQXGMKNDA-WDEREUQCSA-N 0 3 313.379 1.322 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[NH2+]C23CCC3)s1 ZINC000599106861 357817394 /nfs/dbraw/zinc/81/73/94/357817394.db2.gz JTSZMJCXCGCSMA-QMMMGPOBSA-N 0 3 317.392 1.219 20 5 DDBDHN O=[N+]([O-])c1c(NCCN2CC[C@@H](O)C2)ccc2ncccc21 ZINC000599176747 357840569 /nfs/dbraw/zinc/84/05/69/357840569.db2.gz WGSDGHSEHAUOEJ-LLVKDONJSA-N 0 3 302.334 1.622 20 5 DDBDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000599625809 357997327 /nfs/dbraw/zinc/99/73/27/357997327.db2.gz PRNZPXQAMGHDAE-QOBXEIRBSA-N 0 3 307.350 1.595 20 5 DDBDHN C[C@H]1CC(F)(F)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599623356 357996572 /nfs/dbraw/zinc/99/65/72/357996572.db2.gz OXUUFODZMDMABX-GXSJLCMTSA-N 0 3 304.297 1.272 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000600470051 358233163 /nfs/dbraw/zinc/23/31/63/358233163.db2.gz DYRXFMAJAUKHBL-LLVKDONJSA-N 0 3 307.354 1.075 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCc2cccc(CN)c21 ZINC000602540391 359034306 /nfs/dbraw/zinc/03/43/06/359034306.db2.gz NQZXMZPRPHUNRT-UHFFFAOYSA-N 0 3 314.345 1.985 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)CCN1CCCC1 ZINC000602957758 359321639 /nfs/dbraw/zinc/32/16/39/359321639.db2.gz PRMFOSGGYJPGAD-UHFFFAOYSA-N 0 3 307.354 1.280 20 5 DDBDHN CO[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)[C@](C)(CO)C1 ZINC000602965034 359329301 /nfs/dbraw/zinc/32/93/01/359329301.db2.gz YDDXYAJCFPXIQG-GJZGRUSLSA-N 0 3 310.350 1.445 20 5 DDBDHN Cc1c(NC(=O)CCN2CC[C@@H](O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000186922108 200031452 /nfs/dbraw/zinc/03/14/52/200031452.db2.gz ROXWVCJZHQSACB-IAQYHMDHSA-N 0 3 321.377 1.935 20 5 DDBDHN CC(C)N1CCN(CCCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000188203448 200209289 /nfs/dbraw/zinc/20/92/89/200209289.db2.gz JYXYKBHYMPNFSH-UHFFFAOYSA-N 0 3 308.382 1.173 20 5 DDBDHN CC[C@@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)N(C)C ZINC000188502292 200257384 /nfs/dbraw/zinc/25/73/84/200257384.db2.gz UFBHKMOMDQQITG-AWEZNQCLSA-N 0 3 307.350 1.525 20 5 DDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000189412198 200396490 /nfs/dbraw/zinc/39/64/90/200396490.db2.gz OQYCCHPAVWFUGG-CYBMUJFWSA-N 0 3 307.394 1.872 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000609309489 360291664 /nfs/dbraw/zinc/29/16/64/360291664.db2.gz GUSFSWNVQSKPKP-LLVKDONJSA-N 0 3 306.366 1.680 20 5 DDBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000609594380 360331347 /nfs/dbraw/zinc/33/13/47/360331347.db2.gz IWPJLKXTMGJXSH-LBPRGKRZSA-N 0 3 308.382 1.928 20 5 DDBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H](O)C1CC1 ZINC000610572868 360473859 /nfs/dbraw/zinc/47/38/59/360473859.db2.gz PCWYNLYEAVHLFY-UKRRQHHQSA-N 0 3 310.350 1.037 20 5 DDBDHN C[C@@H]1CN(c2cccnc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000611204552 360659039 /nfs/dbraw/zinc/65/90/39/360659039.db2.gz RWTHUGYEDYWDCC-ZIAGYGMSSA-N 0 3 319.409 1.452 20 5 DDBDHN CN(C)C1(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000275812156 212550176 /nfs/dbraw/zinc/55/01/76/212550176.db2.gz DLISEOGFDOUKTC-UHFFFAOYSA-N 0 3 320.393 1.632 20 5 DDBDHN Cc1ccc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)cc1[N+](=O)[O-] ZINC000618923091 363802212 /nfs/dbraw/zinc/80/22/12/363802212.db2.gz CZORMVJJYLHRCR-MRXNPFEDSA-N 0 3 321.377 1.432 20 5 DDBDHN CCc1n[nH]c(C(=O)NCCN2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000264662028 204060116 /nfs/dbraw/zinc/06/01/16/204060116.db2.gz IUSDWRGZJSJFBV-JTQLQIEISA-N 0 3 309.370 1.485 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000264914893 204265428 /nfs/dbraw/zinc/26/54/28/204265428.db2.gz OCXKYETXTHMVET-GFCCVEGCSA-N 0 3 307.350 1.574 20 5 DDBDHN Cc1ccccc1CN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266436981 205344579 /nfs/dbraw/zinc/34/45/79/205344579.db2.gz LVXSNFQHHQQYSF-HNNXBMFYSA-N 0 3 304.350 1.593 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000270519542 248620790 /nfs/dbraw/zinc/62/07/90/248620790.db2.gz SPLVRQLCNQGSHG-QWHCGFSZSA-N 0 3 324.406 1.295 20 5 DDBDHN CC(C)[C@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)N(C)C ZINC000359621751 299501537 /nfs/dbraw/zinc/50/15/37/299501537.db2.gz ZLISWEAJYLRRDI-OAHLLOKOSA-N 0 3 321.377 1.902 20 5 DDBDHN C[C@H]1CN(CCCCNc2ncc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000273934805 211188053 /nfs/dbraw/zinc/18/80/53/211188053.db2.gz KZEMGUSHBRJFLQ-RYUDHWBXSA-N 0 3 309.370 1.686 20 5 DDBDHN CC(C)N1C[C@@H](N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000285057015 218273113 /nfs/dbraw/zinc/27/31/13/218273113.db2.gz IRPGCLITZKDWPO-JQWIXIFHSA-N 0 3 306.366 1.837 20 5 DDBDHN Cc1ccc([C@@H](C)NC[C@@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000268847715 207016680 /nfs/dbraw/zinc/01/66/80/207016680.db2.gz BQBWEFGGCYOTGC-UKRRQHHQSA-N 0 3 306.410 1.800 20 5 DDBDHN Cc1ccc([O-])c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])n1 ZINC000289791875 221228577 /nfs/dbraw/zinc/22/85/77/221228577.db2.gz MAJMUWPENCNNRE-UHFFFAOYSA-N 0 3 302.334 1.969 20 5 DDBDHN COC[C@@]1(C(=O)OC)CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000294997048 224367092 /nfs/dbraw/zinc/36/70/92/224367092.db2.gz ICPANZFRHYLRRN-MRXNPFEDSA-N 0 3 322.361 1.915 20 5 DDBDHN COc1ccc(CN[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000414997541 224433769 /nfs/dbraw/zinc/43/37/69/224433769.db2.gz HUXJUJNIXWOHEA-LBPRGKRZSA-N 0 3 301.293 1.690 20 5 DDBDHN COC(=O)COc1ccc(CN[C@@H]2CO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000569845072 304382148 /nfs/dbraw/zinc/38/21/48/304382148.db2.gz MTNKSPBELRJTSX-JQWIXIFHSA-N 0 3 324.333 1.414 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCN1CCN(CC)CC1 ZINC000360881002 299766128 /nfs/dbraw/zinc/76/61/28/299766128.db2.gz IPSJLBKZZBTAIW-UHFFFAOYSA-N 0 3 310.402 1.169 20 5 DDBDHN CCCc1n[nH]c(C(=O)NC2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000069443366 406713399 /nfs/dbraw/zinc/71/33/99/406713399.db2.gz UKXNVSIIVHAEQJ-UHFFFAOYSA-N 0 3 309.370 1.485 20 5 DDBDHN CCCN1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000074440359 406913169 /nfs/dbraw/zinc/91/31/69/406913169.db2.gz LRHCAIQHUTYYOF-UHFFFAOYSA-N 0 3 317.349 1.639 20 5 DDBDHN CCOc1ccc(C(=O)NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000078473402 407029839 /nfs/dbraw/zinc/02/98/39/407029839.db2.gz HEMHDOSXMRDOCD-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCC[NH3+])cc1C ZINC000037714597 406993363 /nfs/dbraw/zinc/99/33/63/406993363.db2.gz ZSKCAXMGSONDDI-UHFFFAOYSA-N 0 3 301.368 1.229 20 5 DDBDHN Nc1c(C(=O)NCCN2CCCCCC2)cc(F)cc1[N+](=O)[O-] ZINC000102894254 407328720 /nfs/dbraw/zinc/32/87/20/407328720.db2.gz YRMJEZTZSZICIK-UHFFFAOYSA-N 0 3 324.356 1.922 20 5 DDBDHN O=C(N[C@@H]1CCN(CC2CCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000122563596 407304738 /nfs/dbraw/zinc/30/47/38/407304738.db2.gz UWRYLVYRPKVYLO-LLVKDONJSA-N 0 3 307.354 1.312 20 5 DDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(C)C2)c1 ZINC000104188956 407349333 /nfs/dbraw/zinc/34/93/33/407349333.db2.gz KLEWDCXARQCRPB-SNVBAGLBSA-N 0 3 309.391 1.998 20 5 DDBDHN COc1ccc(CN[C@H](C)CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000124278180 407353565 /nfs/dbraw/zinc/35/35/65/407353565.db2.gz GTALYHUFPZEWAB-CYBMUJFWSA-N 0 3 323.393 1.804 20 5 DDBDHN CN1CCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000108325958 407383672 /nfs/dbraw/zinc/38/36/72/407383672.db2.gz FVPLEYCRZYPLLT-SECBINFHSA-N 0 3 310.329 1.388 20 5 DDBDHN CN1CCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000108325961 407384042 /nfs/dbraw/zinc/38/40/42/407384042.db2.gz FVPLEYCRZYPLLT-VIFPVBQESA-N 0 3 310.329 1.388 20 5 DDBDHN COCCN(C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265816670 407467418 /nfs/dbraw/zinc/46/74/18/407467418.db2.gz QIFYWFMNZHTLNK-UHFFFAOYSA-N 0 3 323.393 1.567 20 5 DDBDHN Cn1cc(CN2CC[C@@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271055373 407491551 /nfs/dbraw/zinc/49/15/51/407491551.db2.gz ZLWTWEGREADZOL-CQSZACIVSA-N 0 3 302.334 1.562 20 5 DDBDHN NC(=O)C[C@H](NCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000181941494 306701231 /nfs/dbraw/zinc/70/12/31/306701231.db2.gz IQXAPUXOESIGLX-ZDUSSCGKSA-N 0 3 307.350 1.355 20 5 DDBDHN CCN(CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000171167462 407615078 /nfs/dbraw/zinc/61/50/78/407615078.db2.gz YKJHJCGBTCGFEH-UHFFFAOYSA-N 0 3 320.393 1.921 20 5 DDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)N1CCC(C)CC1 ZINC000180550867 407898114 /nfs/dbraw/zinc/89/81/14/407898114.db2.gz RNHCQVHYLMXDMS-LLVKDONJSA-N 0 3 321.381 1.422 20 5 DDBDHN COC(=O)[C@@H](O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000135376839 408009809 /nfs/dbraw/zinc/00/98/09/408009809.db2.gz HSFAVAOFCCOQQI-HNNXBMFYSA-N 0 3 322.361 1.383 20 5 DDBDHN COCC[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000273222716 408113209 /nfs/dbraw/zinc/11/32/09/408113209.db2.gz DLOAQVXIOXOFFF-QWHCGFSZSA-N 0 3 324.337 1.113 20 5 DDBDHN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000273425654 408194173 /nfs/dbraw/zinc/19/41/73/408194173.db2.gz WKXCVILJHWMMLV-WCQYABFASA-N 0 3 320.349 1.419 20 5 DDBDHN C[NH2+]C[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000133230899 162054739 /nfs/dbraw/zinc/05/47/39/162054739.db2.gz UQMJITKHYSUMBI-QMMMGPOBSA-N 0 3 321.786 1.382 20 5 DDBDHN CCN1CCCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000133428712 162059159 /nfs/dbraw/zinc/05/91/59/162059159.db2.gz LVINKHSVASJBKT-UHFFFAOYSA-N 0 3 309.370 1.044 20 5 DDBDHN CCN1CCC[C@@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000171100297 162206395 /nfs/dbraw/zinc/20/63/95/162206395.db2.gz YDSBMTBOJSVGAL-CYBMUJFWSA-N 0 3 323.397 1.399 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000171452836 162219798 /nfs/dbraw/zinc/21/97/98/162219798.db2.gz UDKNOEBOLUVLOP-LBPRGKRZSA-N 0 3 319.361 1.914 20 5 DDBDHN CC(C)CN(CCN(C)C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176501595 408382195 /nfs/dbraw/zinc/38/21/95/408382195.db2.gz XSAXVBZNPRBJRL-UHFFFAOYSA-N 0 3 308.382 1.837 20 5 DDBDHN COCCN1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000269745459 408412784 /nfs/dbraw/zinc/41/27/84/408412784.db2.gz XREKLIDGSAFKDW-CQSZACIVSA-N 0 3 321.377 1.283 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN(CCO)Cc1ccccc1 ZINC000269888729 408460272 /nfs/dbraw/zinc/46/02/72/408460272.db2.gz KXGAPFRZJGIUHT-UHFFFAOYSA-N 0 3 317.345 1.251 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1CCN(CCO)CC1 ZINC000160587719 408499921 /nfs/dbraw/zinc/49/99/21/408499921.db2.gz ZSOQCJWXIBQYHW-UHFFFAOYSA-N 0 3 321.377 1.337 20 5 DDBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000161297781 408583533 /nfs/dbraw/zinc/58/35/33/408583533.db2.gz DGQAWKPSBNGHOA-PWSUYJOCSA-N 0 3 306.366 1.636 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000177159479 408539783 /nfs/dbraw/zinc/53/97/83/408539783.db2.gz QULFGRXFEHRGLQ-WDEREUQCSA-N 0 3 319.361 1.958 20 5 DDBDHN CCN(CC)CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184073912 408542038 /nfs/dbraw/zinc/54/20/38/408542038.db2.gz VGXAFOPJJAVFBD-UHFFFAOYSA-N 0 3 315.395 1.356 20 5 DDBDHN CCN1CCN(CCCNc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265283833 408604533 /nfs/dbraw/zinc/60/45/33/408604533.db2.gz WSTWOEONDNBANH-UHFFFAOYSA-N 0 3 307.398 1.738 20 5 DDBDHN COc1ccc(CN(CCO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000275647755 408631802 /nfs/dbraw/zinc/63/18/02/408631802.db2.gz WVRVQEXDOOIDND-UHFFFAOYSA-N 0 3 310.350 1.577 20 5 DDBDHN CC(C)[C@H](CCO)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000162196311 408680566 /nfs/dbraw/zinc/68/05/66/408680566.db2.gz MUZBIMLARIIAQE-LSDHHAIUSA-N 0 3 321.377 1.697 20 5 DDBDHN O=C1CCCN1[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000270825157 408696702 /nfs/dbraw/zinc/69/67/02/408696702.db2.gz BVTCILMYXHEHCC-OAHLLOKOSA-N 0 3 303.362 1.834 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCC[C@@H]1C(N)=O ZINC000184833183 408698006 /nfs/dbraw/zinc/69/80/06/408698006.db2.gz RANQVERJNIIPIK-QWHCGFSZSA-N 0 3 307.350 1.737 20 5 DDBDHN O=C1N[C@H]2CCN(CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]2CO1 ZINC000281333024 408883244 /nfs/dbraw/zinc/88/32/44/408883244.db2.gz LYUMSEBVXYXCPI-RISCZKNCSA-N 0 3 321.333 1.404 20 5 DDBDHN COc1ccc(CNCC2(N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000277553339 408964198 /nfs/dbraw/zinc/96/41/98/408964198.db2.gz ZEIHUHPFVYIXDK-UHFFFAOYSA-N 0 3 321.377 1.558 20 5 DDBDHN CCN1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(C)n3)[C@H]2C1 ZINC000292732721 409041052 /nfs/dbraw/zinc/04/10/52/409041052.db2.gz IGEMSEVBOSCPPY-UONOGXRCSA-N 0 3 306.366 1.598 20 5 DDBDHN CCNC(=O)[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000293413578 409108632 /nfs/dbraw/zinc/10/86/32/409108632.db2.gz ZFMQLQHCALACQN-AWEZNQCLSA-N 0 3 309.366 1.724 20 5 DDBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@H](O)Cc1ccccc1 ZINC000293418626 409109901 /nfs/dbraw/zinc/10/99/01/409109901.db2.gz SQDZBQGGJYZYMU-OAHLLOKOSA-N 0 3 304.350 1.327 20 5 DDBDHN C[C@H](CN1CCCC1=O)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283956057 409247388 /nfs/dbraw/zinc/24/73/88/409247388.db2.gz FZQABULFEJUJLI-GHMZBOCLSA-N 0 3 306.366 1.839 20 5 DDBDHN CC1(C)C[C@H](O)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000295984132 409392250 /nfs/dbraw/zinc/39/22/50/409392250.db2.gz JLBZUDSBJLHPDT-CYBMUJFWSA-N 0 3 309.366 1.239 20 5 DDBDHN CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)N(C)C1 ZINC000284474402 409345408 /nfs/dbraw/zinc/34/54/08/409345408.db2.gz AZICYEFLRRVUGC-KBPBESRZSA-N 0 3 321.377 1.694 20 5 DDBDHN C[C@@H](CCCC[NH3+])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000312867223 164010101 /nfs/dbraw/zinc/01/01/01/164010101.db2.gz SVFQCNCHFPLNMP-JTQLQIEISA-N 0 3 301.368 1.391 20 5 DDBDHN CNc1c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000317286346 164026841 /nfs/dbraw/zinc/02/68/41/164026841.db2.gz KMXJZRUAOOBCEG-WDEREUQCSA-N 0 3 306.366 1.849 20 5 DDBDHN C[C@H]1CCOCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000373280177 164169288 /nfs/dbraw/zinc/16/92/88/164169288.db2.gz JMGOGFHUOUVIAQ-QWHCGFSZSA-N 0 3 310.350 1.445 20 5 DDBDHN Cn1cc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000331550686 409625721 /nfs/dbraw/zinc/62/57/21/409625721.db2.gz GWTFUSHYSFRFNC-OLZOCXBDSA-N 0 3 304.354 1.798 20 5 DDBDHN C[C@H](CN(C)C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000346142556 409817706 /nfs/dbraw/zinc/81/77/06/409817706.db2.gz RRIIEIWHEUOHGV-GFCCVEGCSA-N 0 3 320.393 1.875 20 5 DDBDHN C[C@H](O)CN1CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000342857473 409951195 /nfs/dbraw/zinc/95/11/95/409951195.db2.gz MFSPIUBWGDDFOX-IORUMNFESA-N 0 3 319.405 1.995 20 5 DDBDHN O=C(CCN1CCc2n[nH]nc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000351607128 410102589 /nfs/dbraw/zinc/10/25/89/410102589.db2.gz HVBKUYYYSFPSQZ-UHFFFAOYSA-N 0 3 316.321 1.100 20 5 DDBDHN Nc1nc(N[C@H]2CCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000298746874 410380202 /nfs/dbraw/zinc/38/02/02/410380202.db2.gz UXLCKKDRVNBIOG-LBPRGKRZSA-N 0 3 314.349 1.653 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCCN2CCC(OCCO)CC2)cc1 ZINC000339784695 410459038 /nfs/dbraw/zinc/45/90/38/410459038.db2.gz XPHKVCMOTBKYNQ-UHFFFAOYSA-N 0 3 324.377 1.837 20 5 DDBDHN CN(CCNC(=O)c1ccc([N+](=O)[O-])[nH]1)Cc1ccccc1 ZINC000299109307 410527945 /nfs/dbraw/zinc/52/79/45/410527945.db2.gz QCYCIIGJPGKQSP-UHFFFAOYSA-N 0 3 302.334 1.785 20 5 DDBDHN Cc1c(CNC(=O)NCCOCCN(C)C)cccc1[N+](=O)[O-] ZINC000359302738 410590787 /nfs/dbraw/zinc/59/07/87/410590787.db2.gz IRYZWKFAXNXFKQ-UHFFFAOYSA-N 0 3 324.381 1.281 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000355594268 410598104 /nfs/dbraw/zinc/59/81/04/410598104.db2.gz DNFXYLCOYXZVAL-HNNXBMFYSA-N 0 3 322.365 1.400 20 5 DDBDHN Cc1nc(NC[C@@H](O)CN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000301629844 410760298 /nfs/dbraw/zinc/76/02/98/410760298.db2.gz CBNYNJWITAITFE-CYBMUJFWSA-N 0 3 308.382 1.803 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)N2CCCCC2)n1 ZINC000330569823 410784758 /nfs/dbraw/zinc/78/47/58/410784758.db2.gz MEWVVRXMAHVGPH-UHFFFAOYSA-N 0 3 309.370 1.323 20 5 DDBDHN C[C@@H]1CC[C@H](C(N)=O)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000348522941 410998106 /nfs/dbraw/zinc/99/81/06/410998106.db2.gz AQSBBLMXRRVNSX-NEPJUHHUSA-N 0 3 307.350 1.559 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCN2CCCC(C)(C)C2)n1 ZINC000331296120 411064769 /nfs/dbraw/zinc/06/47/69/411064769.db2.gz NVTRTWFOWVWNLF-UHFFFAOYSA-N 0 3 323.397 1.663 20 5 DDBDHN CN(C)CCn1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000580090431 422888106 /nfs/dbraw/zinc/88/81/06/422888106.db2.gz UEBRSCJNUCRCLX-UHFFFAOYSA-N 0 3 303.322 1.605 20 5 DDBDHN COCCNCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000212749020 418559274 /nfs/dbraw/zinc/55/92/74/418559274.db2.gz SKBZLZYNZPBLAW-UHFFFAOYSA-N 0 3 301.730 1.214 20 5 DDBDHN C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000291035612 222088803 /nfs/dbraw/zinc/08/88/03/222088803.db2.gz ZHDAHUICKLLSCK-VIFPVBQESA-N 0 3 305.338 1.151 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](CO)C(C)(C)C ZINC000193100487 222143634 /nfs/dbraw/zinc/14/36/34/222143634.db2.gz KVTCTTXSBBTMML-CYBMUJFWSA-N 0 3 309.366 1.838 20 5 DDBDHN CNc1c(C(=O)NCCCN(C)CCOC)cccc1[N+](=O)[O-] ZINC000361147847 418594181 /nfs/dbraw/zinc/59/41/81/418594181.db2.gz XGNSKKXFCHXULH-UHFFFAOYSA-N 0 3 324.381 1.335 20 5 DDBDHN CC[C@H](C)N[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccco1 ZINC000343265597 418631419 /nfs/dbraw/zinc/63/14/19/418631419.db2.gz OTDNGIWXMVPTBA-UWVGGRQHSA-N 0 3 320.353 1.523 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccn(CCN(C)C)n2)c1 ZINC000358207556 418653669 /nfs/dbraw/zinc/65/36/69/418653669.db2.gz DTJFQRAYZUCYHF-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H](CO)C3CCOCC3)nc2c1 ZINC000361608972 418690383 /nfs/dbraw/zinc/69/03/83/418690383.db2.gz ICCVDXZUMJBARY-AWEZNQCLSA-N 0 3 320.349 1.348 20 5 DDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000368201607 418703026 /nfs/dbraw/zinc/70/30/26/418703026.db2.gz MGQVLGLCPUIFJU-UWVGGRQHSA-N 0 3 307.281 1.771 20 5 DDBDHN CNc1ccc(C(=O)NC[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000387573797 418743912 /nfs/dbraw/zinc/74/39/12/418743912.db2.gz XOWQLLCTPICGLJ-NSHDSACASA-N 0 3 306.366 1.708 20 5 DDBDHN CN(C)CCOc1ccccc1CNc1c([N+](=O)[O-])ncn1C ZINC000299308682 229042178 /nfs/dbraw/zinc/04/21/78/229042178.db2.gz GCJHETSMUJXMCO-UHFFFAOYSA-N 0 3 319.365 1.881 20 5 DDBDHN COCCN(C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000299628676 229277684 /nfs/dbraw/zinc/27/76/84/229277684.db2.gz LGTHRGJYJMXEAS-UHFFFAOYSA-N 0 3 309.366 1.601 20 5 DDBDHN Cc1nc(NCCCNCc2cccnc2)ncc1[N+](=O)[O-] ZINC000420181365 420143816 /nfs/dbraw/zinc/14/38/16/420143816.db2.gz HUYSNGITKGCNHC-UHFFFAOYSA-N 0 3 302.338 1.680 20 5 DDBDHN Cc1cc(OCC(=O)N2CCC[C@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000435616238 420266683 /nfs/dbraw/zinc/26/66/83/420266683.db2.gz KASYYUCDAYVWCG-ZDUSSCGKSA-N 0 3 321.377 1.835 20 5 DDBDHN CC(C)(C)c1ccc(C(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423985949 420291109 /nfs/dbraw/zinc/29/11/09/420291109.db2.gz FBJHADYBRHWCOM-LBPRGKRZSA-N 0 3 321.377 1.611 20 5 DDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCC[C@H]1CCC[NH2+]1 ZINC000420448537 420294349 /nfs/dbraw/zinc/29/43/49/420294349.db2.gz ROYARQHXGOKUSD-LLVKDONJSA-N 0 3 313.379 1.405 20 5 DDBDHN Cc1ccc(S(=O)(=O)NC[C@@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC000416495277 420394211 /nfs/dbraw/zinc/39/42/11/420394211.db2.gz LCUXQAOCDYPOSI-NSHDSACASA-N 0 3 313.379 1.133 20 5 DDBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@H](c3nnc[nH]3)C2)c1 ZINC000425541168 420413582 /nfs/dbraw/zinc/41/35/82/420413582.db2.gz FYOXRMFKCNLBJI-NSHDSACASA-N 0 3 303.322 1.581 20 5 DDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417760553 420470864 /nfs/dbraw/zinc/47/08/64/420470864.db2.gz GIFQITUCTDURAG-NWDGAFQWSA-N 0 3 306.366 1.529 20 5 DDBDHN CNC(=O)c1ccc(N2C[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000450795803 420534050 /nfs/dbraw/zinc/53/40/50/420534050.db2.gz ROHXEQVEUPHYGR-SMDDNHRTSA-N 0 3 304.350 1.095 20 5 DDBDHN CCCc1n[nH]c(C(=O)N(C)[C@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000457114144 420618329 /nfs/dbraw/zinc/61/83/29/420618329.db2.gz KGGZXCAPRSYCHI-NSHDSACASA-N 0 3 323.397 1.825 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CCCCN1CCO ZINC000449391034 421004554 /nfs/dbraw/zinc/00/45/54/421004554.db2.gz HLPSNAJDPCQIHA-INIZCTEOSA-N 0 3 307.394 1.840 20 5 DDBDHN CNc1nc(C(=O)N[C@H](C)C2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000456004537 421087180 /nfs/dbraw/zinc/08/71/80/421087180.db2.gz KFHPDFKRXZZABD-SNVBAGLBSA-N 0 3 319.365 1.412 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCc3cc(F)ccc32)c1 ZINC000519068579 421678942 /nfs/dbraw/zinc/67/89/42/421678942.db2.gz KYCGTEQTNKCONF-ZFWWWQNUSA-N 0 3 320.324 1.568 20 5 DDBDHN CCc1ccccc1[C@H](N)CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000581011024 421880699 /nfs/dbraw/zinc/88/06/99/421880699.db2.gz IDRHYIVOJBTVSF-GFCCVEGCSA-N 0 3 317.349 1.321 20 5 DDBDHN COC[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000543455290 421837595 /nfs/dbraw/zinc/83/75/95/421837595.db2.gz VWNVHFPPGMUNQQ-AWEZNQCLSA-N 0 3 321.377 1.745 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000573794111 422015072 /nfs/dbraw/zinc/01/50/72/422015072.db2.gz FSPZDJAEJDTNSX-GXSJLCMTSA-N 0 3 307.354 1.047 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000573794111 422015079 /nfs/dbraw/zinc/01/50/79/422015079.db2.gz FSPZDJAEJDTNSX-GXSJLCMTSA-N 0 3 307.354 1.047 20 5 DDBDHN C[C@@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CN1C1CC1 ZINC000584383767 422299389 /nfs/dbraw/zinc/29/93/89/422299389.db2.gz PEOQRFYKDGKYIK-ZJUUUORDSA-N 0 3 302.338 1.675 20 5 DDBDHN Cc1nn(C)c(C(=O)NC[C@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344662744 272084259 /nfs/dbraw/zinc/08/42/59/272084259.db2.gz KMIQUOGEVOWQRU-LLVKDONJSA-N 0 3 323.397 1.487 20 5 DDBDHN C[C@H]1[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CCCN1C ZINC000345328974 272221011 /nfs/dbraw/zinc/22/10/11/272221011.db2.gz VEJKXJXFHXAEQJ-NWDGAFQWSA-N 0 3 306.366 1.606 20 5 DDBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1N1CCCC1 ZINC000295117244 274187523 /nfs/dbraw/zinc/18/75/23/274187523.db2.gz WGFDHTBDAIMQEO-STQMWFEESA-N 0 3 323.422 1.709 20 5 DDBDHN COc1cnccc1N1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000340881127 278076700 /nfs/dbraw/zinc/07/67/00/278076700.db2.gz UOWALWGESXTDHM-UHFFFAOYSA-N 0 3 315.333 1.720 20 5 DDBDHN CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@H](O)CN(C)C1CC1 ZINC000290796301 278244540 /nfs/dbraw/zinc/24/45/40/278244540.db2.gz PBTRBERSGXKIDZ-CYBMUJFWSA-N 0 3 308.334 1.631 20 5 DDBDHN CCN1CC[C@@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000357540308 279398519 /nfs/dbraw/zinc/39/85/19/279398519.db2.gz XBOUCIATZSDQAZ-GHMZBOCLSA-N 0 3 321.381 1.398 20 5 DDBDHN CN1CCC(CCO)(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000354144761 298353568 /nfs/dbraw/zinc/35/35/68/298353568.db2.gz VOFNOADCVKSOLW-UHFFFAOYSA-N 0 3 321.377 1.100 20 5 DDBDHN COc1ccc(CC(=O)NCC2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000574022708 304627643 /nfs/dbraw/zinc/62/76/43/304627643.db2.gz YGBAUWZSCIWQGF-UHFFFAOYSA-N 0 3 307.350 1.356 20 5 DDBDHN Cc1nc(C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)n[nH]1 ZINC000364018314 300335701 /nfs/dbraw/zinc/33/57/01/300335701.db2.gz OTBZEFSPZUAHSJ-UHFFFAOYSA-N 0 3 305.342 1.097 20 5 DDBDHN Cc1n[nH]c(C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000364018314 300335705 /nfs/dbraw/zinc/33/57/05/300335705.db2.gz OTBZEFSPZUAHSJ-UHFFFAOYSA-N 0 3 305.342 1.097 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H](O)C[C@H]3CO)o2)cc1 ZINC000364326036 300376476 /nfs/dbraw/zinc/37/64/76/300376476.db2.gz STXIZYIYLVVILL-UONOGXRCSA-N 0 3 318.329 1.782 20 5 DDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000376408527 302074633 /nfs/dbraw/zinc/07/46/33/302074633.db2.gz OOKQAIKSTXJTIW-ZWNOBZJWSA-N 0 3 319.365 1.271 20 5 DDBDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000376928227 302122331 /nfs/dbraw/zinc/12/23/31/302122331.db2.gz YXJKCTPKUCRFLJ-XBFCOCLRSA-N 0 3 321.381 1.686 20 5 DDBDHN CC1(C)CCCN[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000515053397 302763211 /nfs/dbraw/zinc/76/32/11/302763211.db2.gz XUJLEOFQWQRAHU-AWEZNQCLSA-N 0 3 321.377 1.868 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000533226804 303314020 /nfs/dbraw/zinc/31/40/20/303314020.db2.gz MECGHNAZOORVMU-LLVKDONJSA-N 0 3 321.381 1.752 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000362254136 307015771 /nfs/dbraw/zinc/01/57/71/307015771.db2.gz BOCBYPWNTBCYJH-JQWIXIFHSA-N 0 3 321.381 1.437 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000362254136 307015772 /nfs/dbraw/zinc/01/57/72/307015772.db2.gz BOCBYPWNTBCYJH-JQWIXIFHSA-N 0 3 321.381 1.437 20 5 DDBDHN Cn1nccc1[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000363428796 307027819 /nfs/dbraw/zinc/02/78/19/307027819.db2.gz CRWFOOHRAXBMLC-LBPRGKRZSA-N 0 3 304.354 1.404 20 5 DDBDHN Cc1n[nH]cc1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000375347442 307223536 /nfs/dbraw/zinc/22/35/36/307223536.db2.gz DEAVEIYDJQWTED-UHFFFAOYSA-N 0 3 304.354 1.702 20 5 DDBDHN COC(=O)[C@@]12CCC[C@@H]1CN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000376268381 307242002 /nfs/dbraw/zinc/24/20/02/307242002.db2.gz VKHIKEGCHHZLGN-BXUZGUMPSA-N 0 3 308.338 1.066 20 5 DDBDHN COc1ccc(CC(=O)N(CCN(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000566580260 308058245 /nfs/dbraw/zinc/05/82/45/308058245.db2.gz MRLNCLQKQSLLDT-UHFFFAOYSA-N 0 3 321.377 1.699 20 5 DDBDHN Cn1nccc1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000569920416 308154958 /nfs/dbraw/zinc/15/49/58/308154958.db2.gz SIPHUQLVQSKMFF-UHFFFAOYSA-N 0 3 303.322 1.447 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451753158 533736618 /nfs/dbraw/zinc/73/66/18/533736618.db2.gz AGXIDZXQFAPEPQ-NSHDSACASA-N 0 3 317.349 1.460 20 5 DDBDHN CCCC[C@H](N)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000154584444 521204452 /nfs/dbraw/zinc/20/44/52/521204452.db2.gz RPQBQYRNKOKQCC-YPMHNXCESA-N 0 3 321.381 1.520 20 5 DDBDHN C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736757883 598506423 /nfs/dbraw/zinc/50/64/23/598506423.db2.gz YSUKUZABAWHMEV-LLVKDONJSA-N 0 3 317.353 1.305 20 5 DDBDHN C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736757883 598506425 /nfs/dbraw/zinc/50/64/25/598506425.db2.gz YSUKUZABAWHMEV-LLVKDONJSA-N 0 3 317.353 1.305 20 5 DDBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@@H+]1C ZINC000820665053 599590689 /nfs/dbraw/zinc/59/06/89/599590689.db2.gz DLEOMGJHWNNZIY-BDAKNGLRSA-N 0 3 318.341 1.065 20 5 DDBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1C ZINC000820665053 599590692 /nfs/dbraw/zinc/59/06/92/599590692.db2.gz DLEOMGJHWNNZIY-BDAKNGLRSA-N 0 3 318.341 1.065 20 5 DDBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1C ZINC000820665053 599590695 /nfs/dbraw/zinc/59/06/95/599590695.db2.gz DLEOMGJHWNNZIY-BDAKNGLRSA-N 0 3 318.341 1.065 20 5 DDBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1C ZINC000820665053 599590698 /nfs/dbraw/zinc/59/06/98/599590698.db2.gz DLEOMGJHWNNZIY-BDAKNGLRSA-N 0 3 318.341 1.065 20 5 DDBDHN CNC(=O)[C@@]1(C)CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000797418618 700008912 /nfs/dbraw/zinc/00/89/12/700008912.db2.gz ZNJLTDIICDCOIZ-HNNXBMFYSA-N 0 3 317.349 1.360 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)C2CCC2)C1 ZINC000982963052 697196096 /nfs/dbraw/zinc/19/60/96/697196096.db2.gz AMOOMWYMIRPKPS-UMSPYCQHSA-N 0 3 321.381 1.113 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000194739408 697720058 /nfs/dbraw/zinc/72/00/58/697720058.db2.gz ORHZDCLZAPYEOB-JTQLQIEISA-N 0 3 308.294 1.327 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(C3OCCO3)CC2)cc1 ZINC000776581083 698121037 /nfs/dbraw/zinc/12/10/37/698121037.db2.gz DXXABDXEWJTKCG-OAHLLOKOSA-N 0 3 322.361 1.713 20 5 DDBDHN CNC(=O)CC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776592009 698123708 /nfs/dbraw/zinc/12/37/08/698123708.db2.gz OGLCQLYHLIOZFE-OAHLLOKOSA-N 0 3 321.377 1.476 20 5 DDBDHN CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801878132 700349804 /nfs/dbraw/zinc/34/98/04/700349804.db2.gz DUPCENWOCUZLOZ-UHFFFAOYSA-N 0 3 312.345 1.730 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000758332464 700699155 /nfs/dbraw/zinc/69/91/55/700699155.db2.gz BJFDNSBOFSVNLQ-ZANVPECISA-N 0 3 307.325 1.946 20 5 DDBDHN Cc1cc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000758336338 700699590 /nfs/dbraw/zinc/69/95/90/700699590.db2.gz PVEFHNWFDPSHDM-MFKMUULPSA-N 0 3 318.377 1.698 20 5 DDBDHN CN1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000762817731 700908506 /nfs/dbraw/zinc/90/85/06/700908506.db2.gz KAPANDQTRBKPAG-CYBMUJFWSA-N 0 3 313.741 1.045 20 5 DDBDHN C[C@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815594887 701901928 /nfs/dbraw/zinc/90/19/28/701901928.db2.gz AYSMIFFJSBSHFP-GXSJLCMTSA-N 0 3 304.350 1.591 20 5 DDBDHN CO[C@@H]1CC[C@@H](C)N(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000879320870 706648613 /nfs/dbraw/zinc/64/86/13/706648613.db2.gz JSHBEQYEORECAY-HZSPNIEDSA-N 0 3 324.377 1.834 20 5 DDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000816953656 702237404 /nfs/dbraw/zinc/23/74/04/702237404.db2.gz LOOSPBQXZXQKGV-NHYWBVRUSA-N 0 3 318.377 1.437 20 5 DDBDHN Cc1cccc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)c1C ZINC000813107262 702294101 /nfs/dbraw/zinc/29/41/01/702294101.db2.gz NXIUUUPUYYZVFQ-WCQYABFASA-N 0 3 320.345 1.865 20 5 DDBDHN CC(COC(=O)[C@H]1CCCN1Cc1ccc(F)cc1)[N+](=O)[O-] ZINC000813108216 702295013 /nfs/dbraw/zinc/29/50/13/702295013.db2.gz VSZPHXFDHYODLG-SMDDNHRTSA-N 0 3 310.325 1.999 20 5 DDBDHN CC(COC(=O)C[C@@H](C)NC(=O)C1CCCCC1)[N+](=O)[O-] ZINC000813110069 702296127 /nfs/dbraw/zinc/29/61/27/702296127.db2.gz ZEBFNBUAAFTZTQ-GHMZBOCLSA-N 0 3 300.355 1.670 20 5 DDBDHN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813110398 702296525 /nfs/dbraw/zinc/29/65/25/702296525.db2.gz ZQSILFSWWXQDJI-MWLCHTKSSA-N 0 3 314.363 1.711 20 5 DDBDHN CC(COC(=O)c1ccc2nnc(C(C)(C)C)n2c1)[N+](=O)[O-] ZINC000813111594 702297307 /nfs/dbraw/zinc/29/73/07/702297307.db2.gz VKVVBTGYDHEADT-VIFPVBQESA-N 0 3 306.322 1.849 20 5 DDBDHN Cc1nc(COc2cccc(C(=O)OCC(C)[N+](=O)[O-])c2)no1 ZINC000813111993 702297482 /nfs/dbraw/zinc/29/74/82/702297482.db2.gz BOGSNKJAJGSIJA-VIFPVBQESA-N 0 3 321.289 1.779 20 5 DDBDHN Cc1nn(C)c(Br)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113329 702298470 /nfs/dbraw/zinc/29/84/70/702298470.db2.gz YLOBMNWGMNISDL-YFKPBYRVSA-N 0 3 306.116 1.313 20 5 DDBDHN CC(COC(=O)c1ccc2c(c1)NC(=O)CCN2C)[N+](=O)[O-] ZINC000813115453 702299212 /nfs/dbraw/zinc/29/92/12/702299212.db2.gz SQIKZGHAQGQQQJ-VIFPVBQESA-N 0 3 307.306 1.287 20 5 DDBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@H](C)C(=O)NCCF ZINC000866355077 706680070 /nfs/dbraw/zinc/68/00/70/706680070.db2.gz SWGFUQRAOHSBGO-NXEZZACHSA-N 0 3 315.320 1.729 20 5 DDBDHN CC[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@H](C)N1 ZINC000869312191 702564479 /nfs/dbraw/zinc/56/44/79/702564479.db2.gz PGINRRAVZRAWDA-CMPLNLGQSA-N 0 3 309.341 1.875 20 5 DDBDHN Cc1ccc(-c2noc(C[C@@H]3CNCCO3)n2)cc1[N+](=O)[O-] ZINC000843178437 702834593 /nfs/dbraw/zinc/83/45/93/702834593.db2.gz DADPPTXMJNPCEE-LLVKDONJSA-N 0 3 304.306 1.484 20 5 DDBDHN O=C([N-]C[C@@H]1CCC[NH2+]1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764085 704621608 /nfs/dbraw/zinc/62/16/08/704621608.db2.gz HMTILILVNNFYMO-VIFPVBQESA-N 0 3 315.276 1.435 20 5 DDBDHN CC[C@H]([NH3+])C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765065 704622066 /nfs/dbraw/zinc/62/20/66/704622066.db2.gz KAIXXDJOZUOZLH-QMMMGPOBSA-N 0 3 303.265 1.420 20 5 DDBDHN COc1ccc(OCCN2[C@@H](C)CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000880438933 706977021 /nfs/dbraw/zinc/97/70/21/706977021.db2.gz FGFWJJPFGLPOGG-RYUDHWBXSA-N 0 3 310.350 1.827 20 5 DDBDHN COCCN1CCC[C@H]1COC(=O)c1cc([N+](=O)[O-])cn1C ZINC000861033242 705354036 /nfs/dbraw/zinc/35/40/36/705354036.db2.gz HXFPRAIIOSWQIR-NSHDSACASA-N 0 3 311.338 1.201 20 5 DDBDHN C[C@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000828905413 706253395 /nfs/dbraw/zinc/25/33/95/706253395.db2.gz WPIPNMOQBOVGAA-NHYWBVRUSA-N 0 3 319.361 1.395 20 5 DDBDHN COC[C@@H](C)OC[C@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000872249513 707348503 /nfs/dbraw/zinc/34/85/03/707348503.db2.gz WKHUCHBOKGRWHE-FRRDWIJNSA-N 0 3 312.366 1.658 20 5 DDBDHN CCn1ncc(C(=O)OCC(C)[N+](=O)[O-])c1Br ZINC000873532384 707888363 /nfs/dbraw/zinc/88/83/63/707888363.db2.gz HEUVRIQAQCYAKT-LURJTMIESA-N 0 3 306.116 1.488 20 5 DDBDHN CN(CCO)CCN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000912610349 713048964 /nfs/dbraw/zinc/04/89/64/713048964.db2.gz KZKSBVIPCRVSMJ-UHFFFAOYSA-N 0 3 315.757 1.244 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1NC1CCN(C[C@H]2CCCO2)CC1 ZINC000891814815 710301332 /nfs/dbraw/zinc/30/13/32/710301332.db2.gz JKWXGQVKFMGXKB-GFCCVEGCSA-N 0 3 309.370 1.384 20 5 DDBDHN Cc1ccc(CNC(=O)N2CCN[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000892537243 710454161 /nfs/dbraw/zinc/45/41/61/710454161.db2.gz QGMSIZZBLVEYDN-RYUDHWBXSA-N 0 3 306.366 1.795 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCN1C ZINC000928439693 713196237 /nfs/dbraw/zinc/19/62/37/713196237.db2.gz JVQKRKDKVNHQOG-ONGXEEELSA-N 0 3 302.334 1.899 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000928452780 713203478 /nfs/dbraw/zinc/20/34/78/713203478.db2.gz JKDBAAREQHFQDM-GWCFXTLKSA-N 0 3 309.391 1.896 20 5 DDBDHN COc1cc([C@H](C)NC[C@@]2(C)CCC(=O)N2)cc([N+](=O)[O-])c1 ZINC000903183442 711057501 /nfs/dbraw/zinc/05/75/01/711057501.db2.gz ONIQFVCFKANMNF-ZUZCIYMTSA-N 0 3 307.350 1.923 20 5 DDBDHN COc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCN1C1CCOCC1 ZINC000896526578 711738932 /nfs/dbraw/zinc/73/89/32/711738932.db2.gz YZMAVFPNUNNRKB-LBPRGKRZSA-N 0 3 322.365 1.664 20 5 DDBDHN O=C(/C=C\c1ccc[nH]1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126238621 738744056 /nfs/dbraw/zinc/74/40/56/738744056.db2.gz NWFKMXKHWOLJKM-YVMONPNESA-N 0 3 314.345 1.842 20 5 DDBDHN Cc1cccnc1[C@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001198642325 747559800 /nfs/dbraw/zinc/55/98/00/747559800.db2.gz YVQMTKSCFULRJN-AAEUAGOBSA-N 0 3 305.338 1.206 20 5 DDBDHN C[C@H](Nc1ccc2nsnc2c1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170569548 768182761 /nfs/dbraw/zinc/18/27/61/768182761.db2.gz JOBMPRSXGLZGKS-XVKPBYJWSA-N 0 3 309.351 1.388 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2nncc2CN)c1F ZINC001173190645 777036771 /nfs/dbraw/zinc/03/67/71/777036771.db2.gz FTKWKDALAVFOGS-MRVPVSSYSA-N 0 3 309.301 1.596 20 5 DDBDHN O=C(c1cc(F)ccc1[N+](=O)[O-])N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001176532962 778172515 /nfs/dbraw/zinc/17/25/15/778172515.db2.gz CLPFGNDZWDQQKP-NWDGAFQWSA-N 0 3 323.324 1.015 20 5 DDBDHN CCN1CCC[C@H](NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000069392182 779415052 /nfs/dbraw/zinc/41/50/52/779415052.db2.gz GDQOKGKOVXGRBA-ZDUSSCGKSA-N 0 3 321.377 1.746 20 5 DDBDHN Cc1ocnc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001155329718 861964957 /nfs/dbraw/zinc/96/49/57/861964957.db2.gz ZVRZNGYJRPGMHT-UHFFFAOYSA-N 0 3 318.333 1.801 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)CNCCO2 ZINC001122320350 858751251 /nfs/dbraw/zinc/75/12/51/858751251.db2.gz SSKSGMIXSPURCV-UHFFFAOYSA-N 0 3 319.361 1.118 20 5 DDBDHN Cc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001124230184 859640710 /nfs/dbraw/zinc/64/07/10/859640710.db2.gz SUMVKZPITVCWJW-UHFFFAOYSA-N 0 3 303.322 1.146 20 5 DDBDHN Cc1cc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])no1 ZINC001154434227 861100449 /nfs/dbraw/zinc/10/04/49/861100449.db2.gz VUBWMCWYOOMDAY-UHFFFAOYSA-N 0 3 318.333 1.801 20 5 DDBDHN NCc1cnnn1-c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001158427308 864647424 /nfs/dbraw/zinc/64/74/24/864647424.db2.gz OVXVAUGWWWQQEM-UHFFFAOYSA-N 0 3 314.280 1.835 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC001331284352 864986641 /nfs/dbraw/zinc/98/66/41/864986641.db2.gz ZOPVMUBHPUBLEY-GFCCVEGCSA-N 0 3 320.393 1.875 20 5 DDBDHN CN1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001331347959 865022965 /nfs/dbraw/zinc/02/29/65/865022965.db2.gz OTHQQYJZAIXZHM-SYQHCUMBSA-N 0 3 307.325 1.352 20 5 DDBDHN Cc1cc(Cl)c([N+](=O)[O-])c(N[C@@H](C)[C@H]2CNCCO2)n1 ZINC001159496602 865346877 /nfs/dbraw/zinc/34/68/77/865346877.db2.gz KMARNQSBCSORJP-WCBMZHEXSA-N 0 3 300.746 1.740 20 5 DDBDHN NCc1cc(-c2ccncc2)nn1-c1ccc([N+](=O)[O-])c(N)n1 ZINC001160338784 865789877 /nfs/dbraw/zinc/78/98/77/865789877.db2.gz HEVSWZIHPJLLJT-UHFFFAOYSA-N 0 3 311.305 1.278 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC001332815781 866163506 /nfs/dbraw/zinc/16/35/06/866163506.db2.gz LRMQPRZYZVIHOM-YPMHNXCESA-N 0 3 318.377 1.945 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC001335230803 868158049 /nfs/dbraw/zinc/15/80/49/868158049.db2.gz REBSTVOKKFOCFN-NHYWBVRUSA-N 0 3 318.377 1.755 20 5 DDBDHN CN(CCCNCc1ncc(C2CC2)o1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001322504653 868210366 /nfs/dbraw/zinc/21/03/66/868210366.db2.gz BYZABAFRAXZBED-VXGBXAGGSA-N 0 3 322.365 1.155 20 5 DDBDHN O=C1NCc2c1c([N+](=O)[O-])ccc2N[C@H]1CN2CCC1CC2 ZINC001163394010 868413938 /nfs/dbraw/zinc/41/39/38/868413938.db2.gz AAELOIZIRMEXBC-LBPRGKRZSA-N 0 3 302.334 1.344 20 5 DDBDHN Cc1nn(CCC(=O)NC[C@@H]2CCCCN2C)c(C)c1[N+](=O)[O-] ZINC001336205364 868787910 /nfs/dbraw/zinc/78/79/10/868787910.db2.gz XSYYUEMRWMHPDM-ZDUSSCGKSA-N 0 3 323.397 1.399 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2c3ccccc3C[C@@H]2O)c1 ZINC001336785427 869140614 /nfs/dbraw/zinc/14/06/14/869140614.db2.gz ZRZVUVYTTVLQAP-BBWFWOEESA-N 0 3 314.341 1.876 20 5 DDBDHN CN(CCN1CCCC1)c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001165140990 869405402 /nfs/dbraw/zinc/40/54/02/869405402.db2.gz SRIFHMPRZUKXLH-UHFFFAOYSA-N 0 3 300.746 1.414 20 5 DDBDHN O=C(N[C@H]1COC2(CNC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001344000083 872830839 /nfs/dbraw/zinc/83/08/39/872830839.db2.gz NUTXDAIOLBRDJZ-SECBINFHSA-N 0 3 311.725 1.109 20 5 DDBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCC[C@]1(O)CCOC1 ZINC000404214109 877008623 /nfs/dbraw/zinc/00/86/23/877008623.db2.gz RYNCRIKVCXINGH-ZDUSSCGKSA-N 0 3 300.742 1.879 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1COCCN1CC[C@@H](OC)C1 ZINC001223945768 881157851 /nfs/dbraw/zinc/15/78/51/881157851.db2.gz KWLDADGUFSMMFG-CQSZACIVSA-N 0 3 310.350 1.841 20 5 DDBDHN CC(C)(O)CN1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254610320 896531870 /nfs/dbraw/zinc/53/18/70/896531870.db2.gz LDKKEVKEGPXEHS-MRXNPFEDSA-N 0 3 319.405 1.451 20 5 DDBDHN C[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCN(C)CC1 ZINC000278597612 214263853 /nfs/dbraw/zinc/26/38/53/214263853.db2.gz ZHXSCGHKCBHKLD-NSHDSACASA-N 0 3 318.381 1.519 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](CCCO)C1 ZINC000452126063 231313121 /nfs/dbraw/zinc/31/31/21/231313121.db2.gz TZIQTMRWBLGYAA-KGLIPLIRSA-N 0 3 324.377 1.429 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000330923164 232167411 /nfs/dbraw/zinc/16/74/11/232167411.db2.gz SGBLICMNESKOFL-QWHCGFSZSA-N 0 3 320.393 1.630 20 5 DDBDHN CCN1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286770069 219158027 /nfs/dbraw/zinc/15/80/27/219158027.db2.gz ZUBHWUABKQBPCV-KBPBESRZSA-N 0 3 323.393 1.361 20 5 DDBDHN CN(C)Cc1ccccc1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000160429400 290771961 /nfs/dbraw/zinc/77/19/61/290771961.db2.gz DCHVPUBRAIFRDY-UHFFFAOYSA-N 0 3 317.349 1.320 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)C[C@H](C)[NH3+] ZINC000320604123 290820822 /nfs/dbraw/zinc/82/08/22/290820822.db2.gz XLBOBSTUGUNEAL-DTWKUNHWSA-N 0 3 317.367 1.008 20 5 DDBDHN CCOC(=O)CC[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000564860004 304020595 /nfs/dbraw/zinc/02/05/95/304020595.db2.gz LQBXZTWZFNPFOV-FZMZJTMJSA-N 0 3 310.350 1.950 20 5 DDBDHN C[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000173035846 198179060 /nfs/dbraw/zinc/17/90/60/198179060.db2.gz DCMLURFGFIHLTE-GFCCVEGCSA-N 0 3 320.393 1.630 20 5 DDBDHN CN1CCC[C@@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000074160859 353296229 /nfs/dbraw/zinc/29/62/29/353296229.db2.gz AQVFYWMBYALQID-ZDUSSCGKSA-N 0 3 320.393 1.778 20 5 DDBDHN CCCN1CCCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000074258530 353303495 /nfs/dbraw/zinc/30/34/95/353303495.db2.gz FYGPZDDCDXTSDL-UHFFFAOYSA-N 0 3 320.393 1.877 20 5 DDBDHN CCOC(=O)CC[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000162081211 354245490 /nfs/dbraw/zinc/24/54/90/354245490.db2.gz DNAIMNFYFSZRNM-CYBMUJFWSA-N 0 3 324.381 1.847 20 5 DDBDHN COc1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590442362 355096392 /nfs/dbraw/zinc/09/63/92/355096392.db2.gz FNKLKDCVNYVVSW-YPMHNXCESA-N 0 3 305.334 1.380 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590443494 355097286 /nfs/dbraw/zinc/09/72/86/355097286.db2.gz KMXMLCYFLYROCA-ZJUUUORDSA-N 0 3 307.354 1.217 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590443494 355097289 /nfs/dbraw/zinc/09/72/89/355097289.db2.gz KMXMLCYFLYROCA-ZJUUUORDSA-N 0 3 307.354 1.217 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN2CCC[C@H]2C1 ZINC000332580476 235139554 /nfs/dbraw/zinc/13/95/54/235139554.db2.gz HTPDBWDARYWDLN-ZDUSSCGKSA-N 0 3 318.377 1.622 20 5 DDBDHN C[C@@H](CCO)CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590654644 355139107 /nfs/dbraw/zinc/13/91/07/355139107.db2.gz ZKWWWGFWIVLJPB-LLVKDONJSA-N 0 3 310.350 1.864 20 5 DDBDHN COc1ccc(CC(=O)N2CCNCC2(C)C)cc1[N+](=O)[O-] ZINC000591678332 355360407 /nfs/dbraw/zinc/36/04/07/355360407.db2.gz OKGJBPKSZCNGLG-UHFFFAOYSA-N 0 3 307.350 1.356 20 5 DDBDHN Cc1c(CN2CCN(CCN(C)C)C(=O)C2)cccc1[N+](=O)[O-] ZINC000593052655 355780609 /nfs/dbraw/zinc/78/06/09/355780609.db2.gz SOOGYNREQQDEGM-UHFFFAOYSA-N 0 3 320.393 1.109 20 5 DDBDHN C[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])N1CCCC1 ZINC000593451073 355889055 /nfs/dbraw/zinc/88/90/55/355889055.db2.gz TWMVYQRTJJGIBD-LLVKDONJSA-N 0 3 309.341 1.877 20 5 DDBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N(C)CCN(C)C ZINC000080684826 192182289 /nfs/dbraw/zinc/18/22/89/192182289.db2.gz NPKGRPPMRUCHMS-UHFFFAOYSA-N 0 3 313.329 1.908 20 5 DDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H](CN)C(F)(F)F ZINC000594523794 356242476 /nfs/dbraw/zinc/24/24/76/356242476.db2.gz DFLQOQZHHHITBJ-SNVBAGLBSA-N 0 3 320.271 1.626 20 5 DDBDHN NC1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CC2(CCC2)C1 ZINC000595247821 356417107 /nfs/dbraw/zinc/41/71/07/356417107.db2.gz AIQTVYCCIMRHEP-UHFFFAOYSA-N 0 3 318.377 1.785 20 5 DDBDHN N[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC000595264828 356425947 /nfs/dbraw/zinc/42/59/47/356425947.db2.gz QQSMNWCUSSYNPL-CHWSQXEVSA-N 0 3 310.329 1.218 20 5 DDBDHN C[C@H](O)[C@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595771468 356645937 /nfs/dbraw/zinc/64/59/37/356645937.db2.gz PJEUYFDCULYJAL-NJZAAPMLSA-N 0 3 310.350 1.180 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1NCCCN1CCC(O)CC1)CCN2 ZINC000596085969 356767433 /nfs/dbraw/zinc/76/74/33/356767433.db2.gz QRWVNQJEJZVGLL-UHFFFAOYSA-N 0 3 320.393 1.822 20 5 DDBDHN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCOC2(CNC2)C1 ZINC000596578986 356922934 /nfs/dbraw/zinc/92/29/34/356922934.db2.gz DNAPBCLDUNTZSQ-UHFFFAOYSA-N 0 3 311.725 1.063 20 5 DDBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000596816587 356984478 /nfs/dbraw/zinc/98/44/78/356984478.db2.gz KGPGUZMOOLBBEW-LBPRGKRZSA-N 0 3 321.381 1.654 20 5 DDBDHN COc1cc(C[NH2+]C[C@H](C)Cn2ccnc2)c([N+](=O)[O-])cc1[O-] ZINC000237257573 202208071 /nfs/dbraw/zinc/20/80/71/202208071.db2.gz STIKUUHCCRRFJR-NSHDSACASA-N 0 3 320.349 1.931 20 5 DDBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)CN(C)C ZINC000597653276 357270083 /nfs/dbraw/zinc/27/00/83/357270083.db2.gz IQQHRJJOVGIIGO-KBPBESRZSA-N 0 3 323.393 1.202 20 5 DDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000597858786 357361339 /nfs/dbraw/zinc/36/13/39/357361339.db2.gz OZTGKSTVTHGQOB-ZDUSSCGKSA-N 0 3 321.377 1.963 20 5 DDBDHN CCCN1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000598341824 357544257 /nfs/dbraw/zinc/54/42/57/357544257.db2.gz GLCYCXTYRZPEGH-ZDUSSCGKSA-N 0 3 321.377 1.883 20 5 DDBDHN CCCN1CC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000598342052 357544276 /nfs/dbraw/zinc/54/42/76/357544276.db2.gz CNGAUUSPDFLLBU-ZDUSSCGKSA-N 0 3 320.393 1.997 20 5 DDBDHN CC(C)(C)[C@H](CN)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598913575 357756521 /nfs/dbraw/zinc/75/65/21/357756521.db2.gz MTLYTWDKKOGVNO-NSHDSACASA-N 0 3 308.338 1.023 20 5 DDBDHN CCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)C1CCN(C)CC1 ZINC000599985342 358096613 /nfs/dbraw/zinc/09/66/13/358096613.db2.gz CLVONZMTGVLAEI-UHFFFAOYSA-N 0 3 309.370 1.193 20 5 DDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCN1C1CCCC1 ZINC000600469599 358232386 /nfs/dbraw/zinc/23/23/86/358232386.db2.gz CQUWBUNZCMNDQL-ZDUSSCGKSA-N 0 3 321.381 1.315 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@H](O)Cc1ccccc1 ZINC000602840423 359229661 /nfs/dbraw/zinc/22/96/61/359229661.db2.gz MWBQJCRIZMZUJH-OAHLLOKOSA-N 0 3 318.377 1.635 20 5 DDBDHN CC(C)OC(=O)C[C@@H](NCc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000602872115 359256226 /nfs/dbraw/zinc/25/62/26/359256226.db2.gz CSORXDSOJOZWQM-GFCCVEGCSA-N 0 3 312.370 1.784 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cnn(CCN(C)C)c1 ZINC000618447867 363637734 /nfs/dbraw/zinc/63/77/34/363637734.db2.gz TXMUNDVMEOPSTJ-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN C[C@@](CO)(NCCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000602962644 359325766 /nfs/dbraw/zinc/32/57/66/359325766.db2.gz NFHFSCYZNUJSKR-INIZCTEOSA-N 0 3 323.393 1.114 20 5 DDBDHN C[C@@](CO)(NC[C@H](O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602963450 359326694 /nfs/dbraw/zinc/32/66/94/359326694.db2.gz VTUMVNLTHRAUEQ-NEPJUHHUSA-N 0 3 322.283 1.705 20 5 DDBDHN CC[C@@]1(O)CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000602982685 359337744 /nfs/dbraw/zinc/33/77/44/359337744.db2.gz WUAJRYJQQFKXQC-GDBMZVCRSA-N 0 3 324.377 1.571 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2C[C@]2(O)C1 ZINC000603089710 359396003 /nfs/dbraw/zinc/39/60/03/359396003.db2.gz SRIRMYCVPHLTPX-NHYWBVRUSA-N 0 3 305.334 1.298 20 5 DDBDHN COc1cc(Cn2cc(CCN(C)C)nn2)c([N+](=O)[O-])cc1F ZINC000603234958 359503326 /nfs/dbraw/zinc/50/33/26/359503326.db2.gz DUENAORQAXNGOS-UHFFFAOYSA-N 0 3 323.328 1.486 20 5 DDBDHN CNS(=O)(=O)CCN[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000187178524 200072378 /nfs/dbraw/zinc/07/23/78/200072378.db2.gz IGCIVIDEUGCVAD-LLVKDONJSA-N 0 3 315.395 1.055 20 5 DDBDHN CC(C)N1CCN(CCCn2cccc([N+](=O)[O-])c2=O)CC1 ZINC000188307005 200225474 /nfs/dbraw/zinc/22/54/74/200225474.db2.gz OREHBWYYDZOTDK-UHFFFAOYSA-N 0 3 308.382 1.173 20 5 DDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609448292 360307762 /nfs/dbraw/zinc/30/77/62/360307762.db2.gz HZTXZRVNUVZTTQ-CYBMUJFWSA-N 0 3 307.325 1.948 20 5 DDBDHN CN(C)C(=O)CCN1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000609449013 360307832 /nfs/dbraw/zinc/30/78/32/360307832.db2.gz HAKUQBMYGMQIJA-UHFFFAOYSA-N 0 3 321.381 1.344 20 5 DDBDHN COc1cc(C(=O)NCC2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000271896131 209304987 /nfs/dbraw/zinc/30/49/87/209304987.db2.gz FWGDCZYIWPXJCU-UHFFFAOYSA-N 0 3 305.334 1.595 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C(C)(C)C[NH3+])c1[N+](=O)[O-] ZINC000193261936 201015535 /nfs/dbraw/zinc/01/55/35/201015535.db2.gz NCXINRKOGZQUTC-UHFFFAOYSA-N 0 3 301.368 1.227 20 5 DDBDHN Cc1cc([C@@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)o1 ZINC000195269184 201369062 /nfs/dbraw/zinc/36/90/62/201369062.db2.gz OVUOJSOKKALNDF-MFKMUULPSA-N 0 3 308.338 1.713 20 5 DDBDHN COc1c(C(=O)NC2CCN(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000619425424 364004093 /nfs/dbraw/zinc/00/40/93/364004093.db2.gz VKTWPHNGNXPRJG-UHFFFAOYSA-N 0 3 319.361 1.960 20 5 DDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359215274 299359186 /nfs/dbraw/zinc/35/91/86/299359186.db2.gz AZKDMOSIKGGUHY-ZDUSSCGKSA-N 0 3 318.377 1.973 20 5 DDBDHN O=C(N[C@@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])cc1Cl ZINC000449658769 284125558 /nfs/dbraw/zinc/12/55/58/284125558.db2.gz UIOYTHRHRJVDMG-SNVBAGLBSA-N 0 3 319.695 1.975 20 5 DDBDHN O=[N+]([O-])c1cccc(CNCCC2CCS(=O)(=O)CC2)c1 ZINC000350740942 284252750 /nfs/dbraw/zinc/25/27/50/284252750.db2.gz ATJLBTCWYHCIMF-UHFFFAOYSA-N 0 3 312.391 1.899 20 5 DDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NCCCN1CCC(O)CC1 ZINC000266223636 205196263 /nfs/dbraw/zinc/19/62/63/205196263.db2.gz QVHKTOIGNAYJCQ-UHFFFAOYSA-N 0 3 321.377 1.100 20 5 DDBDHN COC(=O)CC[C@H](N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000288495807 220180608 /nfs/dbraw/zinc/18/06/08/220180608.db2.gz AWXQXYZWSGVNLM-CABZTGNLSA-N 0 3 309.322 1.053 20 5 DDBDHN CN(C)C[C@@H]1CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000267455385 206077871 /nfs/dbraw/zinc/07/78/71/206077871.db2.gz GKHJLOPPLPLRDA-LBPRGKRZSA-N 0 3 306.366 1.559 20 5 DDBDHN C[C@H](NCCC(=O)N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000336860313 249267926 /nfs/dbraw/zinc/26/79/26/249267926.db2.gz PVDWRCKVHJQQFQ-LBPRGKRZSA-N 0 3 307.350 1.494 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000268278942 206604581 /nfs/dbraw/zinc/60/45/81/206604581.db2.gz WUSBWOKCUIEELZ-MFKMUULPSA-N 0 3 321.381 1.089 20 5 DDBDHN CO[C@H]1C[C@@H](CN(C)c2c3c(ccc2[N+](=O)[O-])NCC3)N(C)C1 ZINC000284527695 218064814 /nfs/dbraw/zinc/06/48/14/218064814.db2.gz KRONLJAVAXMJJF-RYUDHWBXSA-N 0 3 320.393 1.718 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000110609634 194342656 /nfs/dbraw/zinc/34/26/56/194342656.db2.gz KWJLLDGALFWUMG-GFCCVEGCSA-N 0 3 306.366 1.607 20 5 DDBDHN Cc1nn(C)c(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c1[N+](=O)[O-] ZINC000269104757 207243603 /nfs/dbraw/zinc/24/36/03/207243603.db2.gz BLXKJRCGHSHNLZ-VXGBXAGGSA-N 0 3 321.381 1.193 20 5 DDBDHN O=C(C[C@H]1CNCCO1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269253261 207392147 /nfs/dbraw/zinc/39/21/47/207392147.db2.gz UVOYSYQQIVFBOP-NSHDSACASA-N 0 3 313.741 1.243 20 5 DDBDHN COc1cc(CN2CCCC[C@H]2CC(N)=O)ccc1[N+](=O)[O-] ZINC000352407569 285030144 /nfs/dbraw/zinc/03/01/44/285030144.db2.gz VLFYHSXPEXHJNC-LBPRGKRZSA-N 0 3 307.350 1.833 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000121056626 195288977 /nfs/dbraw/zinc/28/89/77/195288977.db2.gz CYWCVXRBMAGIBZ-WCQYABFASA-N 0 3 323.397 1.288 20 5 DDBDHN COc1ccc(CNC(=O)N2CCN[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000417175997 533603184 /nfs/dbraw/zinc/60/31/84/533603184.db2.gz BRVNSOIQOAPCKG-MNOVXSKESA-N 0 3 322.365 1.495 20 5 DDBDHN COC(=O)COc1ccc(CNC2CCOCC2)cc1[N+](=O)[O-] ZINC000353733769 285896713 /nfs/dbraw/zinc/89/67/13/285896713.db2.gz AWWVGFTXJOUVDJ-UHFFFAOYSA-N 0 3 324.333 1.415 20 5 DDBDHN CCN1CCC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000052556126 407152684 /nfs/dbraw/zinc/15/26/84/407152684.db2.gz HOLXGRGRZUYEFY-CYBMUJFWSA-N 0 3 306.366 1.878 20 5 DDBDHN CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[n-]2)CC[N@@H+]1CCOC ZINC000271006143 407465074 /nfs/dbraw/zinc/46/50/74/407465074.db2.gz YACOKLAJNPOHPH-LBPRGKRZSA-N 0 3 324.381 1.496 20 5 DDBDHN CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[n-]2)CC[N@H+]1CCOC ZINC000271006143 407465077 /nfs/dbraw/zinc/46/50/77/407465077.db2.gz YACOKLAJNPOHPH-LBPRGKRZSA-N 0 3 324.381 1.496 20 5 DDBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCN1C ZINC000127574294 407442940 /nfs/dbraw/zinc/44/29/40/407442940.db2.gz HOTGFEGXIAZZMS-MWLCHTKSSA-N 0 3 324.356 1.871 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](c3ccccc3)C2)c1 ZINC000266528361 407546492 /nfs/dbraw/zinc/54/64/92/407546492.db2.gz LCKZXHWNLNPITC-GDBMZVCRSA-N 0 3 316.361 1.642 20 5 DDBDHN COCCN(C)CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171200834 407628298 /nfs/dbraw/zinc/62/82/98/407628298.db2.gz SOQNTCRHCLMWFC-UHFFFAOYSA-N 0 3 324.381 1.015 20 5 DDBDHN COCCCN(C)CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000152429367 407632735 /nfs/dbraw/zinc/63/27/35/407632735.db2.gz WKSFXKXJSOPYFA-UHFFFAOYSA-N 0 3 309.366 1.601 20 5 DDBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)CCc1cnccn1 ZINC000271334515 407640806 /nfs/dbraw/zinc/64/08/06/407640806.db2.gz MGQPCKJPHHNWGU-UHFFFAOYSA-N 0 3 302.334 1.938 20 5 DDBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCN1CCCC1 ZINC000179361654 407779147 /nfs/dbraw/zinc/77/91/47/407779147.db2.gz LRESDIIPOWENSQ-UHFFFAOYSA-N 0 3 316.361 1.831 20 5 DDBDHN COCCN(C)CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000132784690 407805125 /nfs/dbraw/zinc/80/51/25/407805125.db2.gz YOWZCMSTPLVMMY-UHFFFAOYSA-N 0 3 313.329 1.432 20 5 DDBDHN CCCCN(C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118114593 407894975 /nfs/dbraw/zinc/89/49/75/407894975.db2.gz KENBRXLOWNFJCZ-UHFFFAOYSA-N 0 3 322.365 1.381 20 5 DDBDHN CN(C)CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000272466754 407935888 /nfs/dbraw/zinc/93/58/88/407935888.db2.gz MKQIJAADZBYKBX-UHFFFAOYSA-N 0 3 317.349 1.537 20 5 DDBDHN C[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000190425360 408242635 /nfs/dbraw/zinc/24/26/35/408242635.db2.gz YYGXMRRHQPYISJ-MBNYWOFBSA-N 0 3 310.350 1.037 20 5 DDBDHN NC(=O)c1ccc(CN2CCCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000172346349 162271168 /nfs/dbraw/zinc/27/11/68/162271168.db2.gz WCLFMTSGCFFIJU-UHFFFAOYSA-N 0 3 318.377 1.364 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@@H]2CCCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000274540231 408443736 /nfs/dbraw/zinc/44/37/36/408443736.db2.gz VXCFHNKNKYESMX-LLVKDONJSA-N 0 3 323.397 1.873 20 5 DDBDHN CC(C)(C)C1=CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000270387245 408513775 /nfs/dbraw/zinc/51/37/75/408513775.db2.gz RJHLFQJIERXJRQ-CQSZACIVSA-N 0 3 308.382 1.830 20 5 DDBDHN COc1cc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177093987 408517332 /nfs/dbraw/zinc/51/73/32/408517332.db2.gz IWCMWSZXSGEZSB-PWSUYJOCSA-N 0 3 319.361 1.958 20 5 DDBDHN C[C@H](Cn1cccn1)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000265106069 408553225 /nfs/dbraw/zinc/55/32/25/408553225.db2.gz YEHDEBRLBSHNKF-GFCCVEGCSA-N 0 3 317.349 1.432 20 5 DDBDHN Cc1c(NC(=O)CCN2CC[C@@H](O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249582261 408745323 /nfs/dbraw/zinc/74/53/23/408745323.db2.gz ROXWVCJZHQSACB-XHDPSFHLSA-N 0 3 321.377 1.935 20 5 DDBDHN COc1cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c([N+](=O)[O-])cc1[O-] ZINC000249769193 408763846 /nfs/dbraw/zinc/76/38/46/408763846.db2.gz JFQXKNXAVCUNMB-WDMOLILDSA-N 0 3 308.334 1.966 20 5 DDBDHN COC(=O)c1cnc(N[C@@H]2CCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000276553288 408881962 /nfs/dbraw/zinc/88/19/62/408881962.db2.gz KODXESWOJLJMHU-LLVKDONJSA-N 0 3 308.338 1.671 20 5 DDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000276571226 408884710 /nfs/dbraw/zinc/88/47/10/408884710.db2.gz UDGUXYLZIALTDQ-ZDUSSCGKSA-N 0 3 318.377 1.877 20 5 DDBDHN CC(C)(NCCCS(N)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000292223473 409005228 /nfs/dbraw/zinc/00/52/28/409005228.db2.gz VEVJOPRFBYVRFY-UHFFFAOYSA-N 0 3 301.368 1.098 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283428222 409154740 /nfs/dbraw/zinc/15/47/40/409154740.db2.gz IZXYEVKKLOPBLH-SECBINFHSA-N 0 3 310.329 1.530 20 5 DDBDHN COC(=O)c1cn(CCNCc2ccc([N+](=O)[O-])cc2C)nn1 ZINC000283932898 409242399 /nfs/dbraw/zinc/24/23/99/409242399.db2.gz JHEMJZNSJNZKJA-UHFFFAOYSA-N 0 3 319.321 1.071 20 5 DDBDHN CN(C)c1cc(F)c(C(=O)NC[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000294908300 409306516 /nfs/dbraw/zinc/30/65/16/409306516.db2.gz SCBNOVICCTYEFS-SNVBAGLBSA-N 0 3 324.356 1.624 20 5 DDBDHN CN(CCn1ccc([N+](=O)[O-])n1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280552671 409355905 /nfs/dbraw/zinc/35/59/05/409355905.db2.gz QOLNLTLCHXZCDS-ZDUSSCGKSA-N 0 3 317.349 1.340 20 5 DDBDHN CNc1c(C(=O)N(C)C[C@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000317213091 164026200 /nfs/dbraw/zinc/02/62/00/164026200.db2.gz AXIQEYMEIDAKBQ-LLVKDONJSA-N 0 3 306.366 1.803 20 5 DDBDHN CCN1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2NC)C1 ZINC000317244584 164027304 /nfs/dbraw/zinc/02/73/04/164027304.db2.gz FJFXXBWDSSVXCA-NSHDSACASA-N 0 3 306.366 1.851 20 5 DDBDHN CC[C@H](NC(=O)CCOC1CNC1)c1cccc([N+](=O)[O-])c1 ZINC000348989571 164104166 /nfs/dbraw/zinc/10/41/66/164104166.db2.gz CULFNJKFWYUERJ-AWEZNQCLSA-N 0 3 307.350 1.541 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCc3c2cccc3O)c1 ZINC000296962557 409728642 /nfs/dbraw/zinc/72/86/42/409728642.db2.gz YIRUTSBKPVIQOW-FZMZJTMJSA-N 0 3 318.333 1.135 20 5 DDBDHN C[C@H](N[C@H]1CCCN(C)[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000342729206 409855131 /nfs/dbraw/zinc/85/51/31/409855131.db2.gz JPLSBIDUYWLTRU-XQQFMLRXSA-N 0 3 320.393 1.994 20 5 DDBDHN Cc1nc([C@@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)n[nH]1 ZINC000349372597 409814013 /nfs/dbraw/zinc/81/40/13/409814013.db2.gz MWBFIJVSYGSFIE-LLVKDONJSA-N 0 3 305.342 1.097 20 5 DDBDHN Cc1n[nH]c([C@@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000349372597 409814017 /nfs/dbraw/zinc/81/40/17/409814017.db2.gz MWBFIJVSYGSFIE-LLVKDONJSA-N 0 3 305.342 1.097 20 5 DDBDHN Cc1nnc([C@@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)[nH]1 ZINC000349372597 409814023 /nfs/dbraw/zinc/81/40/23/409814023.db2.gz MWBFIJVSYGSFIE-LLVKDONJSA-N 0 3 305.342 1.097 20 5 DDBDHN C[C@H](C[C@H](C)[NH3+])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000320717983 409907894 /nfs/dbraw/zinc/90/78/94/409907894.db2.gz VIUGNXFYXFWDCM-JGVFFNPUSA-N 0 3 321.786 1.652 20 5 DDBDHN COc1cc(CNCCc2ccn(C)n2)c([N+](=O)[O-])cc1OC ZINC000354635868 409983112 /nfs/dbraw/zinc/98/31/12/409983112.db2.gz ABDHQMFLSRIKEC-UHFFFAOYSA-N 0 3 320.349 1.678 20 5 DDBDHN CN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)(C)C1 ZINC000332288879 410044025 /nfs/dbraw/zinc/04/40/25/410044025.db2.gz ZCPZTXCUTJCSKE-UHFFFAOYSA-N 0 3 303.366 1.997 20 5 DDBDHN C[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000343415856 410432411 /nfs/dbraw/zinc/43/24/11/410432411.db2.gz LPVLZNPDNXGZJM-NFAWXSAZSA-N 0 3 324.377 1.427 20 5 DDBDHN Cc1c(CNC(=O)N[C@@H]2CCN(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000358605124 410494678 /nfs/dbraw/zinc/49/46/78/410494678.db2.gz HULYAEWPPNNNLH-CYBMUJFWSA-N 0 3 318.377 1.939 20 5 DDBDHN CN1CCC[C@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000301084451 410652113 /nfs/dbraw/zinc/65/21/13/410652113.db2.gz DFEHSNJDGBXLLG-SNVBAGLBSA-N 0 3 317.349 1.997 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@]1(OC)CCOC1 ZINC000359638050 410787017 /nfs/dbraw/zinc/78/70/17/410787017.db2.gz PTPGBBUTTQWWHI-HNNXBMFYSA-N 0 3 310.350 1.889 20 5 DDBDHN C[C@@H](CN1CCCCC1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301929023 410832550 /nfs/dbraw/zinc/83/25/50/410832550.db2.gz NPLBQHJIABNGOT-NSHDSACASA-N 0 3 304.354 1.924 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C)[C@@H](O)C1 ZINC000330652073 410849198 /nfs/dbraw/zinc/84/91/98/410849198.db2.gz KLMZZELQQXHDAC-WFASDCNBSA-N 0 3 321.377 1.935 20 5 DDBDHN Cc1c(NC(=O)CCN(C)C2CC(O)C2)cccc1[N+](=O)[O-] ZINC000353476978 411013437 /nfs/dbraw/zinc/01/34/37/411013437.db2.gz ZVYVBFAQXSYLAG-UHFFFAOYSA-N 0 3 307.350 1.687 20 5 DDBDHN CN1CC[C@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)C1 ZINC000293617670 418580483 /nfs/dbraw/zinc/58/04/83/418580483.db2.gz DGTYAOBFRUIMHQ-HNNXBMFYSA-N 0 3 322.340 1.484 20 5 DDBDHN CN(C)C1(CN(C)C(=O)c2cc([N+](=O)[O-])cnc2N)CCC1 ZINC000189524527 222048248 /nfs/dbraw/zinc/04/82/48/222048248.db2.gz IHDRBQYHEDPFPB-UHFFFAOYSA-N 0 3 307.354 1.128 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000375037017 418593309 /nfs/dbraw/zinc/59/33/09/418593309.db2.gz HXURXPBZETUEKB-BXUZGUMPSA-N 0 3 318.377 1.652 20 5 DDBDHN CC(C)N(C)CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000342087345 418627142 /nfs/dbraw/zinc/62/71/42/418627142.db2.gz BKNPAXYHAPIARE-UHFFFAOYSA-N 0 3 305.338 1.996 20 5 DDBDHN Cc1ccc([C@H](C)NCCNc2cnccn2)cc1[N+](=O)[O-] ZINC000361981251 418733824 /nfs/dbraw/zinc/73/38/24/418733824.db2.gz NQCSUVQZHUPITC-LBPRGKRZSA-N 0 3 301.350 2.456 20 5 DDBDHN CN(C[C@H]1CCCN1C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000422018758 419808980 /nfs/dbraw/zinc/80/89/80/419808980.db2.gz JMNGYKSFCSONKP-GFCCVEGCSA-N 0 3 306.366 1.559 20 5 DDBDHN NC1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000423729230 420146339 /nfs/dbraw/zinc/14/63/39/420146339.db2.gz URIQGBFZQMYONK-UHFFFAOYSA-N 0 3 303.322 2.071 20 5 DDBDHN COc1cc(CN2CC[C@@H](c3nc[nH]n3)C2)c([N+](=O)[O-])cc1F ZINC000425551741 420415100 /nfs/dbraw/zinc/41/51/00/420415100.db2.gz QUIDNAVPNSTFFG-SECBINFHSA-N 0 3 321.312 1.850 20 5 DDBDHN C[C@H](CO)[C@H](C)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000450738283 420518261 /nfs/dbraw/zinc/51/82/61/420518261.db2.gz MKWWMXXCGDUSOO-SUNKGSAMSA-N 0 3 307.350 1.307 20 5 DDBDHN C[C@H](NC(=O)NC[C@]1(O)CCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458894432 420756138 /nfs/dbraw/zinc/75/61/38/420756138.db2.gz YJCZUGXBDWYSHD-XHDPSFHLSA-N 0 3 322.365 1.022 20 5 DDBDHN CC(C)NC(=O)CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447519664 420777220 /nfs/dbraw/zinc/77/72/20/420777220.db2.gz QYLUHBNOXHJWND-NEPJUHHUSA-N 0 3 309.370 1.389 20 5 DDBDHN CC(COC(=O)[C@H](C)NC(=O)/C=C\c1ccccc1)[N+](=O)[O-] ZINC000493267273 420803626 /nfs/dbraw/zinc/80/36/26/420803626.db2.gz ODDUBIHLJPSNNW-RTVKQWPZSA-N 0 3 306.318 1.413 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000456169006 421111827 /nfs/dbraw/zinc/11/18/27/421111827.db2.gz PBBMGHRGVFMSJL-OCCSQVGLSA-N 0 3 319.361 1.526 20 5 DDBDHN O=[N+]([O-])c1ccc2[nH]c(=NC[C@H]3CCCN3CCCO)[nH]c2c1 ZINC000450598816 421215158 /nfs/dbraw/zinc/21/51/58/421215158.db2.gz RLULARZWAJTRGR-GFCCVEGCSA-N 0 3 319.365 1.152 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN1C(=O)CNC1=O ZINC000545010405 421235473 /nfs/dbraw/zinc/23/54/73/421235473.db2.gz NMNJTLRMCVSNHG-SNVBAGLBSA-N 0 3 306.322 1.106 20 5 DDBDHN CC(COC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2)[N+](=O)[O-] ZINC000496558821 421274126 /nfs/dbraw/zinc/27/41/26/421274126.db2.gz LFGFYZNIHMESQD-UWVGGRQHSA-N 0 3 314.338 1.452 20 5 DDBDHN CS[C@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@H]1N1CCCC1 ZINC000548364323 421429281 /nfs/dbraw/zinc/42/92/81/421429281.db2.gz GWFHRJFDVIQJSO-MNOVXSKESA-N 0 3 311.411 1.344 20 5 DDBDHN CN(CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC(=O)N(C)C1 ZINC000518674175 421662603 /nfs/dbraw/zinc/66/26/03/421662603.db2.gz BPDYIODSOXWSLV-LBPRGKRZSA-N 0 3 307.350 1.526 20 5 DDBDHN Nc1nccc(C(=O)N2CC[C@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000571940971 421754724 /nfs/dbraw/zinc/75/47/24/421754724.db2.gz VOQJBEVFKMORET-NSHDSACASA-N 0 3 319.365 1.272 20 5 DDBDHN C[C@@H]1CCN(CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000582011583 422088684 /nfs/dbraw/zinc/08/86/84/422088684.db2.gz HQHMHGHEEYDFLT-GFCCVEGCSA-N 0 3 307.350 1.432 20 5 DDBDHN C[C@H]1CCN(CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000582011584 422088835 /nfs/dbraw/zinc/08/88/35/422088835.db2.gz HQHMHGHEEYDFLT-LBPRGKRZSA-N 0 3 307.350 1.432 20 5 DDBDHN COCc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000582100860 422106446 /nfs/dbraw/zinc/10/64/46/422106446.db2.gz BXILCDCULPOOBO-OAHLLOKOSA-N 0 3 320.349 1.088 20 5 DDBDHN O=C(NCCN1CCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000344325412 271999587 /nfs/dbraw/zinc/99/95/87/271999587.db2.gz PYALGBAGLPWAEZ-UHFFFAOYSA-N 0 3 302.334 1.902 20 5 DDBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000330559657 278190608 /nfs/dbraw/zinc/19/06/08/278190608.db2.gz HJIUFEVWOKUZIO-NWDGAFQWSA-N 0 3 308.382 1.784 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCS(=O)(=O)[C@H]1C ZINC000449340363 279382918 /nfs/dbraw/zinc/38/29/18/279382918.db2.gz ODSWBJBNIYSQMO-MDZLAQPJSA-N 0 3 312.391 1.691 20 5 DDBDHN COc1ccc(CNCC[C@@H](C)[S@](C)=O)cc1[N+](=O)[O-] ZINC000129514903 281347822 /nfs/dbraw/zinc/34/78/22/281347822.db2.gz HZJGSJWQRKMZBR-CFMSYZGJSA-N 0 3 300.380 1.850 20 5 DDBDHN CN1CC[C@@](O)(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000358059671 299060260 /nfs/dbraw/zinc/06/02/60/299060260.db2.gz SEDRCFHVRMCBAM-MRXNPFEDSA-N 0 3 321.377 1.055 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCN(C2CC2)CC1 ZINC000363035998 300201445 /nfs/dbraw/zinc/20/14/45/300201445.db2.gz ZKLLEKZKCSPLCZ-UHFFFAOYSA-N 0 3 321.381 1.187 20 5 DDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CCN1C1CCN(C)CC1 ZINC000364383748 300387398 /nfs/dbraw/zinc/38/73/98/300387398.db2.gz MPXBDTZNEXJFFM-CYBMUJFWSA-N 0 3 319.409 1.595 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)CC[NH3+] ZINC000397205804 302352297 /nfs/dbraw/zinc/35/22/97/302352297.db2.gz ZOFFUEFGUKRZBE-UHFFFAOYSA-N 0 3 317.367 1.009 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1cccc(O)c1 ZINC000521426517 302873734 /nfs/dbraw/zinc/87/37/34/302873734.db2.gz GKGFKVOBPUGJTL-CQSZACIVSA-N 0 3 318.329 1.830 20 5 DDBDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000531054928 303227496 /nfs/dbraw/zinc/22/74/96/303227496.db2.gz LXFFABSSLDKSPZ-BETUJISGSA-N 0 3 321.377 1.963 20 5 DDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)C(=O)N(C)C ZINC000357850345 306920789 /nfs/dbraw/zinc/92/07/89/306920789.db2.gz NBNPHPLHFZQYOX-MNOVXSKESA-N 0 3 322.365 1.378 20 5 DDBDHN CCOc1cc(CN[C@H](CO)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000361605129 307001010 /nfs/dbraw/zinc/00/10/10/307001010.db2.gz VJGBQLZRGWHJEM-CQSZACIVSA-N 0 3 324.377 1.871 20 5 DDBDHN CCc1nn(C)c(N2C[C@@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000367750215 307103681 /nfs/dbraw/zinc/10/36/81/307103681.db2.gz ZWOQKBYIZDPVRL-NEPJUHHUSA-N 0 3 307.398 1.954 20 5 DDBDHN COC[C@@H]1CCCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000372087787 307162996 /nfs/dbraw/zinc/16/29/96/307162996.db2.gz GSTZMEXQAHWQNY-GFCCVEGCSA-N 0 3 321.377 1.942 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000377645086 307275381 /nfs/dbraw/zinc/27/53/81/307275381.db2.gz BNGGDEYZRINVDP-DZGCQCFKSA-N 0 3 315.377 1.863 20 5 DDBDHN Cc1c(C(=O)NC[C@@H](C)N(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000298346878 533787346 /nfs/dbraw/zinc/78/73/46/533787346.db2.gz KNGMSGREHVISBC-MRVPVSSYSA-N 0 3 310.310 1.491 20 5 DDBDHN C[C@H]1COCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000331928302 534023601 /nfs/dbraw/zinc/02/36/01/534023601.db2.gz DCCVQIMWZFLELA-CHWSQXEVSA-N 0 3 310.350 1.303 20 5 DDBDHN COc1ccc(NC(=O)CNC(C)(C)CN(C)C)c([N+](=O)[O-])c1 ZINC000459551858 534081495 /nfs/dbraw/zinc/08/14/95/534081495.db2.gz TWWXYSUCHGWDRR-UHFFFAOYSA-N 0 3 324.381 1.472 20 5 DDBDHN COc1ccc(NC(=O)N2C[C@@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000415447889 534113290 /nfs/dbraw/zinc/11/32/90/534113290.db2.gz URDQMEWZWQIGLN-ZJUUUORDSA-N 0 3 308.338 1.818 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](c1cccnc1)C1CC1 ZINC000445806305 534321609 /nfs/dbraw/zinc/32/16/09/534321609.db2.gz UNKMDKKRTANPTG-MRXNPFEDSA-N 0 3 314.345 1.892 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2(N(C)C)CC2)c1 ZINC000416307803 528610434 /nfs/dbraw/zinc/61/04/34/528610434.db2.gz MRAIBSVMOWKFSD-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN O=[N+]([O-])c1cnc(NCC[NH+]2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000738374963 598601266 /nfs/dbraw/zinc/60/12/66/598601266.db2.gz VDOHXOOMBKHBTC-UHFFFAOYSA-N 0 3 318.341 1.068 20 5 DDBDHN O=[N+]([O-])c1cnc(NCC[NH+]2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000738374963 598601268 /nfs/dbraw/zinc/60/12/68/598601268.db2.gz VDOHXOOMBKHBTC-UHFFFAOYSA-N 0 3 318.341 1.068 20 5 DDBDHN Cc1ccncc1CN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000981137542 697015738 /nfs/dbraw/zinc/01/57/38/697015738.db2.gz VPPNAEOORQFPKS-HUUCEWRRSA-N 0 3 318.377 1.090 20 5 DDBDHN CNC(=O)CC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776592008 698123514 /nfs/dbraw/zinc/12/35/14/698123514.db2.gz OGLCQLYHLIOZFE-HNNXBMFYSA-N 0 3 321.377 1.476 20 5 DDBDHN CC(C)N(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCC(=O)N1 ZINC000839671029 701775755 /nfs/dbraw/zinc/77/57/55/701775755.db2.gz XXRQWNAXSOWXOL-ZFWWWQNUSA-N 0 3 321.377 1.617 20 5 DDBDHN CC(COC(=O)[C@H](C)n1nnc(-c2ccccc2)n1)[N+](=O)[O-] ZINC000813103758 702291855 /nfs/dbraw/zinc/29/18/55/702291855.db2.gz SKKHBNRWHPGTIX-ZJUUUORDSA-N 0 3 305.294 1.110 20 5 DDBDHN CC(COC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)[N+](=O)[O-] ZINC000813106838 702294179 /nfs/dbraw/zinc/29/41/79/702294179.db2.gz INGHCNMBPOYRFN-WDEREUQCSA-N 0 3 300.355 1.622 20 5 DDBDHN CC(COC(=O)[C@H]1CCS(=O)(=O)c2ccccc21)[N+](=O)[O-] ZINC000813109404 702295073 /nfs/dbraw/zinc/29/50/73/702295073.db2.gz RUEBHVSDJGSQET-ONGXEEELSA-N 0 3 313.331 1.156 20 5 DDBDHN Cc1ccc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813114479 702299321 /nfs/dbraw/zinc/29/93/21/702299321.db2.gz CGJSNNZGIRFCNH-NWDGAFQWSA-N 0 3 306.318 1.556 20 5 DDBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCCS(C)(=O)=O ZINC000866249983 706657707 /nfs/dbraw/zinc/65/77/07/706657707.db2.gz RQBXPMVYMSOLTA-SECBINFHSA-N 0 3 304.343 1.299 20 5 DDBDHN O=C(NC[C@H]1CNCCO1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841104260 702347718 /nfs/dbraw/zinc/34/77/18/702347718.db2.gz WERVGVWSNKKBOX-SECBINFHSA-N 0 3 314.729 1.358 20 5 DDBDHN Nc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000848350710 703541715 /nfs/dbraw/zinc/54/17/15/703541715.db2.gz SJYDPIRJNICHTI-ZIAGYGMSSA-N 0 3 318.377 1.924 20 5 DDBDHN CCO[C@@H]1C[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1OC ZINC000819228699 704090686 /nfs/dbraw/zinc/09/06/86/704090686.db2.gz XCNWSGCHXKYCAT-YJNKXOJESA-N 0 3 310.350 1.410 20 5 DDBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)CN(C)C ZINC000854465639 704402052 /nfs/dbraw/zinc/40/20/52/704402052.db2.gz RYRHXYFXJGLKNV-ZWXCPPHNSA-N 0 3 307.350 1.037 20 5 DDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1-c1ccn(C)n1 ZINC000857029320 704548152 /nfs/dbraw/zinc/54/81/52/704548152.db2.gz LRZXJBZKCZAXGV-SNVBAGLBSA-N 0 3 306.322 1.650 20 5 DDBDHN C[NH2+]C[C@@H](C)[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764812 704621868 /nfs/dbraw/zinc/62/18/68/704621868.db2.gz BDMYYDBXMNPHQM-MRVPVSSYSA-N 0 3 303.265 1.291 20 5 DDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000874823247 705182302 /nfs/dbraw/zinc/18/23/02/705182302.db2.gz GVSKQFHBATWMDZ-ZIAGYGMSSA-N 0 3 321.352 1.972 20 5 DDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000874834923 705191984 /nfs/dbraw/zinc/19/19/84/705191984.db2.gz VSDQGCGDVDSDSB-NEPJUHHUSA-N 0 3 304.350 1.486 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)c(N)c([N+](=O)[O-])c1 ZINC000874839117 705194956 /nfs/dbraw/zinc/19/49/56/705194956.db2.gz TUIMWCDHTLGSAI-OLZOCXBDSA-N 0 3 318.377 1.794 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)c1 ZINC000874846000 705200620 /nfs/dbraw/zinc/20/06/20/705200620.db2.gz XBZSUSUIASOXQE-HUUCEWRRSA-N 0 3 319.361 1.912 20 5 DDBDHN COc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000874848712 705202521 /nfs/dbraw/zinc/20/25/21/705202521.db2.gz GMDIGNFSLFCPRD-STQMWFEESA-N 0 3 319.361 1.912 20 5 DDBDHN Nc1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000823985545 705349707 /nfs/dbraw/zinc/34/97/07/705349707.db2.gz AHSWMHUKXRWEOF-LBPRGKRZSA-N 0 3 317.349 1.655 20 5 DDBDHN CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CCN(C)CC1 ZINC000861892349 705597470 /nfs/dbraw/zinc/59/74/70/705597470.db2.gz HNEHCTSJOQKEIN-UHFFFAOYSA-N 0 3 324.356 1.872 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000827137220 705937945 /nfs/dbraw/zinc/93/79/45/705937945.db2.gz VHAHOYQPYMMQOU-KFWWJZLASA-N 0 3 303.362 1.909 20 5 DDBDHN COC(=O)c1cc(-c2cnn3c2CNCC3)cc([N+](=O)[O-])c1 ZINC000863716248 705994408 /nfs/dbraw/zinc/99/44/08/705994408.db2.gz ROTRNICOMUHHGG-UHFFFAOYSA-N 0 3 302.290 1.348 20 5 DDBDHN CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000835457663 707255725 /nfs/dbraw/zinc/25/57/25/707255725.db2.gz YESWYQFXGUABAW-QWRGUYRKSA-N 0 3 302.371 1.772 20 5 DDBDHN Cn1c(C(=O)NC[C@@H]2Cc3ccccc3CN2)ccc1[N+](=O)[O-] ZINC000877346587 706074046 /nfs/dbraw/zinc/07/40/46/706074046.db2.gz SHYIPJACVQFGBQ-ZDUSSCGKSA-N 0 3 314.345 1.378 20 5 DDBDHN O=[N+]([O-])c1c(N[C@@H]2CCCN(CCCO)C2)nc2ccccn21 ZINC000828461379 706184480 /nfs/dbraw/zinc/18/44/80/706184480.db2.gz VHIYYYYQFSFHEG-GFCCVEGCSA-N 0 3 319.365 1.501 20 5 DDBDHN CN1CC[C@](O)(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000828505311 706191260 /nfs/dbraw/zinc/19/12/60/706191260.db2.gz MYOHPUFJPWLQFS-ZDUSSCGKSA-N 0 3 313.741 1.045 20 5 DDBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000830292908 706491409 /nfs/dbraw/zinc/49/14/09/706491409.db2.gz UENYDHHNEJPHFK-PMPSAXMXSA-N 0 3 321.377 1.033 20 5 DDBDHN Cn1nnnc1CCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000898039759 708525792 /nfs/dbraw/zinc/52/57/92/708525792.db2.gz FOSPVUITMNDORO-UHFFFAOYSA-N 0 3 310.745 1.494 20 5 DDBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)CCO ZINC000899737207 709183639 /nfs/dbraw/zinc/18/36/39/709183639.db2.gz DDWPZFBTVZJZLT-CQSZACIVSA-N 0 3 323.393 1.204 20 5 DDBDHN COc1ccc(CC(=O)N2CC[C@H](N3CCC3)C2)cc1[N+](=O)[O-] ZINC000912917309 713123495 /nfs/dbraw/zinc/12/34/95/713123495.db2.gz GJTNPMRAONDQPD-ZDUSSCGKSA-N 0 3 319.361 1.453 20 5 DDBDHN COc1ccc(CC(=O)N2CC[C@@H](N3CCC3)C2)cc1[N+](=O)[O-] ZINC000912917308 713123573 /nfs/dbraw/zinc/12/35/73/713123573.db2.gz GJTNPMRAONDQPD-CYBMUJFWSA-N 0 3 319.361 1.453 20 5 DDBDHN CC1(C)CCN(CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000890068706 709729829 /nfs/dbraw/zinc/72/98/29/709729829.db2.gz CFSLWEQWNDBPJL-CQSZACIVSA-N 0 3 321.377 1.476 20 5 DDBDHN COCCN1CCC(Nc2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000892013314 710352521 /nfs/dbraw/zinc/35/25/21/710352521.db2.gz JRDVZOAVYNSHHA-UHFFFAOYSA-N 0 3 310.354 1.521 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000928452783 713203802 /nfs/dbraw/zinc/20/38/02/713203802.db2.gz JKDBAAREQHFQDM-MFKMUULPSA-N 0 3 309.391 1.896 20 5 DDBDHN CC[C@@H](CO)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000915875567 713434305 /nfs/dbraw/zinc/43/43/05/713434305.db2.gz RXMHYTZWGVZEIN-BDAKNGLRSA-N 0 3 315.757 1.936 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H](C)CN1CCOCC1 ZINC000921534464 713801086 /nfs/dbraw/zinc/80/10/86/713801086.db2.gz SEBCADADELIKGE-CYBMUJFWSA-N 0 3 323.393 1.804 20 5 DDBDHN COC(C)(C)[C@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000932369202 714319110 /nfs/dbraw/zinc/31/91/10/714319110.db2.gz CZRQILDOFBWPNT-NSHDSACASA-N 0 3 321.377 1.887 20 5 DDBDHN Cc1cc(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001125542547 734451568 /nfs/dbraw/zinc/45/15/68/734451568.db2.gz PRKOIJNMQXDIME-UHFFFAOYSA-N 0 3 317.349 1.075 20 5 DDBDHN Cc1cc(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001125542547 734451570 /nfs/dbraw/zinc/45/15/70/734451570.db2.gz PRKOIJNMQXDIME-UHFFFAOYSA-N 0 3 317.349 1.075 20 5 DDBDHN CCN(CC)CC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001105408364 740998985 /nfs/dbraw/zinc/99/89/85/740998985.db2.gz ZMTXIGWKUFTFJS-UHFFFAOYSA-N 0 3 322.409 1.831 20 5 DDBDHN CC(C)N(C)CC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001105415514 741206037 /nfs/dbraw/zinc/20/60/37/741206037.db2.gz WEGNXOQJCQDSSI-UHFFFAOYSA-N 0 3 322.409 1.830 20 5 DDBDHN CC(C)[C@@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)c1nncn1C ZINC001181645905 743272707 /nfs/dbraw/zinc/27/27/07/743272707.db2.gz IQAQRRYAHCCTRF-GCZXYKMCSA-N 0 3 319.369 1.610 20 5 DDBDHN CCCN(C)CC(=O)NCCCN(C)c1ccccc1[N+](=O)[O-] ZINC001095605356 750072303 /nfs/dbraw/zinc/07/23/03/750072303.db2.gz HYJKPLSKRAHBGK-UHFFFAOYSA-N 0 3 322.409 1.879 20 5 DDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(Cc3ccccn3)CC2)C1 ZINC001169025315 762203148 /nfs/dbraw/zinc/20/31/48/762203148.db2.gz YPIICSGFOJSZDH-GDBMZVCRSA-N 0 3 304.394 1.645 20 5 DDBDHN O=[N+]([O-])c1cnc(Cl)cc1NCc1nnn2c1CNCCC2 ZINC001155394307 761113199 /nfs/dbraw/zinc/11/31/99/761113199.db2.gz SQNWFJNYZSLSJD-UHFFFAOYSA-N 0 3 323.744 1.340 20 5 DDBDHN C[C@H](Nc1ccc2nsnc2c1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170569546 768182857 /nfs/dbraw/zinc/18/28/57/768182857.db2.gz JOBMPRSXGLZGKS-OIBJUYFYSA-N 0 3 309.351 1.388 20 5 DDBDHN Cc1cc(CN2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC001045436942 766305994 /nfs/dbraw/zinc/30/59/94/766305994.db2.gz ZDRFGMCASZSDAN-CHWSQXEVSA-N 0 3 322.365 1.119 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1csc(=O)[nH]1 ZINC001132643713 769061898 /nfs/dbraw/zinc/06/18/98/769061898.db2.gz DKEXXCOCCIBRDN-UHFFFAOYSA-N 0 3 322.346 1.277 20 5 DDBDHN O=C(C1CC1)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001048635904 769603420 /nfs/dbraw/zinc/60/34/20/769603420.db2.gz LPDNEKDNNDCQOW-GASCZTMLSA-N 0 3 315.373 1.895 20 5 DDBDHN CN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C)C1 ZINC001119938551 781688380 /nfs/dbraw/zinc/68/83/80/781688380.db2.gz IWDQMPZJCPLLAZ-HNNXBMFYSA-N 0 3 320.393 1.873 20 5 DDBDHN C[NH+](C)CCO[N-]C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001328383051 862941680 /nfs/dbraw/zinc/94/16/80/862941680.db2.gz OTSZUCCDBJNPAU-UHFFFAOYSA-N 0 3 310.354 1.396 20 5 DDBDHN C[C@@H]1NCCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC001121939126 858640429 /nfs/dbraw/zinc/64/04/29/858640429.db2.gz ZYXSDKHFOCUETM-LWWSYDQCSA-N 0 3 303.362 1.907 20 5 DDBDHN CC(COC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC001122883888 858996267 /nfs/dbraw/zinc/99/62/67/858996267.db2.gz PDCSKYFVKZQYSG-DBIOUOCHSA-N 0 3 314.338 1.450 20 5 DDBDHN Cn1cnc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])c1 ZINC001156557870 863145991 /nfs/dbraw/zinc/14/59/91/863145991.db2.gz UCBOKZKZMGUEIZ-UHFFFAOYSA-N 0 3 317.349 1.238 20 5 DDBDHN O=[N+]([O-])c1ccccc1NCCc1noc([C@@H]2NC[C@@H]3C[C@@H]32)n1 ZINC001329234514 863552691 /nfs/dbraw/zinc/55/26/91/863552691.db2.gz DUCIDRZRMWLVSQ-PKFCDNJMSA-N 0 3 315.333 1.913 20 5 DDBDHN C[C@@H](Nc1ccc2ccc([N+](=O)[O-])cc2n1)[C@@H]1CNCCO1 ZINC001159499815 865354297 /nfs/dbraw/zinc/35/42/97/865354297.db2.gz VRFXRLTYBSYQKR-YGRLFVJLSA-N 0 3 302.334 1.932 20 5 DDBDHN C[C@H]1[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC001335230804 868160018 /nfs/dbraw/zinc/16/00/18/868160018.db2.gz REBSTVOKKFOCFN-XHDPSFHLSA-N 0 3 318.377 1.755 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC001322508679 868212030 /nfs/dbraw/zinc/21/20/30/868212030.db2.gz DSCBPRSDGRWPMN-BMIGLBTASA-N 0 3 318.377 1.849 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001335565330 868387752 /nfs/dbraw/zinc/38/77/52/868387752.db2.gz HYCRISVRUHFJHN-KGLIPLIRSA-N 0 3 306.366 1.334 20 5 DDBDHN CC(C)C(=O)NCCC1(CNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001163458673 868466354 /nfs/dbraw/zinc/46/63/54/868466354.db2.gz VHYCIQZCJQQUQB-UHFFFAOYSA-N 0 3 323.397 1.360 20 5 DDBDHN CN(CC(=O)N[C@@H]1CN2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC001336082829 868720429 /nfs/dbraw/zinc/72/04/29/868720429.db2.gz WMJGQGIXACEEFN-CYBMUJFWSA-N 0 3 318.377 1.241 20 5 DDBDHN O=[N+]([O-])c1cc2c(nc1N1CC(N[C@@H]3CCOC3)C1)CCCC2 ZINC001164233792 869042310 /nfs/dbraw/zinc/04/23/10/869042310.db2.gz BRPVJSOJWRFLRZ-GFCCVEGCSA-N 0 3 318.377 1.436 20 5 DDBDHN O=[N+]([O-])c1ccc2nc(N3CC[C@@H]4NCCO[C@H]4C3)cnc2c1 ZINC001165270040 869482367 /nfs/dbraw/zinc/48/23/67/869482367.db2.gz VFIXDEIFMGZSFX-JSGCOSHPSA-N 0 3 315.333 1.105 20 5 DDBDHN O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4NCCO[C@H]4C3)c21 ZINC001165274076 869486437 /nfs/dbraw/zinc/48/64/37/869486437.db2.gz GAQZTEGAOZMEJE-GWCFXTLKSA-N 0 3 315.333 1.105 20 5 DDBDHN CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C(C)(C)C1 ZINC001304042932 871180698 /nfs/dbraw/zinc/18/06/98/871180698.db2.gz PDXVASBSPYWUHN-LLVKDONJSA-N 0 3 307.354 1.032 20 5 DDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCN(C)CCO ZINC001219044232 877886599 /nfs/dbraw/zinc/88/65/99/877886599.db2.gz XVABQDJSQRKVPU-UHFFFAOYSA-N 0 3 324.381 1.545 20 5 DDBDHN CCN1CC[C@@H](O[C@@H](C(=O)OC)c2ccccc2[N+](=O)[O-])C1 ZINC001223641641 881038724 /nfs/dbraw/zinc/03/87/24/881038724.db2.gz BWAWFJWQFFSOLE-BXUZGUMPSA-N 0 3 308.334 1.920 20 5 DDBDHN CC(C)(C)N1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001253303954 895784036 /nfs/dbraw/zinc/78/40/36/895784036.db2.gz LTGDCMXCDBCSHH-UHFFFAOYSA-N 0 3 320.393 1.949 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCC(N3C[C@@H](F)C[C@H]3CO)CC2)cc1 ZINC001254476642 896457078 /nfs/dbraw/zinc/45/70/78/896457078.db2.gz VBRIJEVUWVHYRR-LRDDRELGSA-N 0 3 323.368 1.968 20 5 DDBDHN COC(=O)CO[C@H]1CCN([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254571273 896509303 /nfs/dbraw/zinc/50/93/03/896509303.db2.gz RMMZAFRBWLVADD-JSGCOSHPSA-N 0 3 322.361 1.790 20 5 DDBDHN CC(C)(O)CN1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254610318 896531808 /nfs/dbraw/zinc/53/18/08/896531808.db2.gz LDKKEVKEGPXEHS-INIZCTEOSA-N 0 3 319.405 1.451 20 5 DDBDHN Cc1nc(NC2CCN([C@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC001261658295 899686786 /nfs/dbraw/zinc/68/67/86/899686786.db2.gz BDQKXBRMDWNEBZ-LBPRGKRZSA-N 0 3 307.354 1.358 20 5 DDBDHN CN(C)CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000082250951 185174518 /nfs/dbraw/zinc/17/45/18/185174518.db2.gz NQPHTFXASHTKCD-UHFFFAOYSA-N 0 3 306.366 1.486 20 5 DDBDHN O=C1C[C@]2(CCN(CCOc3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000278917651 214494818 /nfs/dbraw/zinc/49/48/18/214494818.db2.gz RDDCCILCFQEFNH-OAHLLOKOSA-N 0 3 305.334 1.186 20 5 DDBDHN COCC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181875363 186213456 /nfs/dbraw/zinc/21/34/56/186213456.db2.gz YECSXHSDGRRRLQ-CQSZACIVSA-N 0 3 324.377 1.693 20 5 DDBDHN CNc1ccc(C(=O)NCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000047141268 352482875 /nfs/dbraw/zinc/48/28/75/352482875.db2.gz SXTSBEALDSFEDC-UHFFFAOYSA-N 0 3 306.366 1.852 20 5 DDBDHN CC(C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000055467233 352735371 /nfs/dbraw/zinc/73/53/71/352735371.db2.gz ACHQLVGDNWBZEI-BDAKNGLRSA-N 0 3 300.336 1.205 20 5 DDBDHN CC(C)N1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000068800124 353131153 /nfs/dbraw/zinc/13/11/53/353131153.db2.gz RRCXSWZIQAARNL-UHFFFAOYSA-N 0 3 306.366 1.733 20 5 DDBDHN CCCC(=O)NC[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174841125 198392017 /nfs/dbraw/zinc/39/20/17/198392017.db2.gz FOOUMIHTMAYTJY-CYBMUJFWSA-N 0 3 323.397 1.420 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1NC1CCN([C@H]2CCOC2)CC1 ZINC000089603087 353776511 /nfs/dbraw/zinc/77/65/11/353776511.db2.gz RTGGWWRAXWKPGN-ZDUSSCGKSA-N 0 3 306.366 1.963 20 5 DDBDHN Cc1cc(N(C)CCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000092652826 353865710 /nfs/dbraw/zinc/86/57/10/353865710.db2.gz LSLQDRBFDPTIFP-UHFFFAOYSA-N 0 3 306.410 1.977 20 5 DDBDHN Cc1c(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588860603 354943284 /nfs/dbraw/zinc/94/32/84/354943284.db2.gz JYQOATUSLJYVOG-QWHCGFSZSA-N 0 3 319.361 1.184 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2CN(C)C[C@H]21 ZINC000590011324 355040394 /nfs/dbraw/zinc/04/03/94/355040394.db2.gz HYVXHWXAYNKYOL-SWLSCSKDSA-N 0 3 318.377 1.478 20 5 DDBDHN CN1CCC(CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000589836910 355024385 /nfs/dbraw/zinc/02/43/85/355024385.db2.gz GIEQJYMHCWJWDG-UHFFFAOYSA-N 0 3 321.377 1.822 20 5 DDBDHN CCOc1cc(CN[C@@](C)(CCO)COC)ccc1[N+](=O)[O-] ZINC000276976232 213215130 /nfs/dbraw/zinc/21/51/30/213215130.db2.gz XUZYFNISZTZGLD-HNNXBMFYSA-N 0 3 312.366 1.871 20 5 DDBDHN Cn1cnc(CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000590970048 355226307 /nfs/dbraw/zinc/22/63/07/355226307.db2.gz JEPPLTFZLUIAFL-UHFFFAOYSA-N 0 3 318.333 1.432 20 5 DDBDHN COc1ccc(CNCCCc2ncn(C)n2)cc1[N+](=O)[O-] ZINC000592373585 355569271 /nfs/dbraw/zinc/56/92/71/355569271.db2.gz YHVNSSHQIJZRDC-UHFFFAOYSA-N 0 3 305.338 1.454 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N2CCN(CCN(C)C)C(=O)C2)c1 ZINC000593486210 355900550 /nfs/dbraw/zinc/90/05/50/355900550.db2.gz QANVZROIWXYLGH-UHFFFAOYSA-N 0 3 306.366 1.113 20 5 DDBDHN CSc1ccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000595260535 356423658 /nfs/dbraw/zinc/42/36/58/356423658.db2.gz BFKAJEKDOKPORJ-NXEZZACHSA-N 0 3 313.354 1.828 20 5 DDBDHN COC(=O)c1cc(NC(=O)C2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000081418764 192261260 /nfs/dbraw/zinc/26/12/60/192261260.db2.gz UHULXUFQRUDNDL-UHFFFAOYSA-N 0 3 321.333 1.662 20 5 DDBDHN CN(CCCN1CCN(C)CC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595400512 356479094 /nfs/dbraw/zinc/47/90/94/356479094.db2.gz HLSVHPLKRXJAKA-UHFFFAOYSA-N 0 3 324.400 1.803 20 5 DDBDHN COc1ccc(OCCN2CC[C@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595826500 356665972 /nfs/dbraw/zinc/66/59/72/356665972.db2.gz ABFDGELDKBEDBR-QWHCGFSZSA-N 0 3 322.361 1.951 20 5 DDBDHN C[C@H](CN1CCC(C)CC1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000596488502 356895059 /nfs/dbraw/zinc/89/50/59/356895059.db2.gz QLMDYJQVRONRIF-LLVKDONJSA-N 0 3 321.381 1.621 20 5 DDBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000597924831 357384526 /nfs/dbraw/zinc/38/45/26/357384526.db2.gz LERFMYCKFFWOJZ-SNVBAGLBSA-N 0 3 324.356 1.919 20 5 DDBDHN CCN(C(=O)COc1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CCN(C)C1 ZINC000597947398 357395391 /nfs/dbraw/zinc/39/53/91/357395391.db2.gz XQZPROCXQQEQKG-CYBMUJFWSA-N 0 3 321.377 1.835 20 5 DDBDHN CCCN1CC[C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000598342280 357545525 /nfs/dbraw/zinc/54/55/25/357545525.db2.gz LMTQFWSEDHHXSP-NSHDSACASA-N 0 3 307.350 1.818 20 5 DDBDHN CN1CCOC[C@@H]1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599079789 357808970 /nfs/dbraw/zinc/80/89/70/357808970.db2.gz OWYPWWUHNMOKCZ-GOEBONIOSA-N 0 3 305.378 1.892 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCN1CC[C@H](O)C1 ZINC000599093320 357813287 /nfs/dbraw/zinc/81/32/87/357813287.db2.gz ORZYPVSBWGZMAV-AAEUAGOBSA-N 0 3 309.366 1.321 20 5 DDBDHN Cc1cc(NCCN2CC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000599176773 357840303 /nfs/dbraw/zinc/84/03/03/357840303.db2.gz XMDSSYMDQMDURJ-CYBMUJFWSA-N 0 3 316.361 1.352 20 5 DDBDHN CCc1n[nH]c(C(=O)NC[C@@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000600474540 358234517 /nfs/dbraw/zinc/23/45/17/358234517.db2.gz XZYSGZMTLAOBHS-NSHDSACASA-N 0 3 321.381 1.627 20 5 DDBDHN CO[C@@H]1C[C@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])C12CCC2 ZINC000602839811 359229285 /nfs/dbraw/zinc/22/92/85/359229285.db2.gz LWLCLUUFYHDRQI-QWHCGFSZSA-N 0 3 308.382 1.989 20 5 DDBDHN Cc1ncc([C@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)s1 ZINC000602954459 359319715 /nfs/dbraw/zinc/31/97/15/359319715.db2.gz FQKVQOZVRZICEA-VIFPVBQESA-N 0 3 308.363 1.872 20 5 DDBDHN CCO[C@H]1C[C@](N)(C(=O)NCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000186736527 200000436 /nfs/dbraw/zinc/00/04/36/200000436.db2.gz SBUYMKNSCYIPBS-BBRMVZONSA-N 0 3 321.377 1.744 20 5 DDBDHN C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000237431787 202264144 /nfs/dbraw/zinc/26/41/44/202264144.db2.gz VQQRLVNQKJUBIY-MNOVXSKESA-N 0 3 309.391 1.896 20 5 DDBDHN C[C@H](O)CN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189399042 200393817 /nfs/dbraw/zinc/39/38/17/200393817.db2.gz DFBDPMPUQBFWRZ-AWEZNQCLSA-N 0 3 323.393 1.362 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000609309494 360291730 /nfs/dbraw/zinc/29/17/30/360291730.db2.gz GUSFSWNVQSKPKP-NSHDSACASA-N 0 3 306.366 1.680 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNCC(C)(C)N1CCOCC1 ZINC000610091913 360381028 /nfs/dbraw/zinc/38/10/28/360381028.db2.gz UUJLOHBFPGWASO-UHFFFAOYSA-N 0 3 323.393 1.804 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000610712468 360512186 /nfs/dbraw/zinc/51/21/86/360512186.db2.gz BWNUIPZHLWDQTB-GWCFXTLKSA-N 0 3 321.381 1.125 20 5 DDBDHN CC(C)(CO)N1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000611272229 360685415 /nfs/dbraw/zinc/68/54/15/360685415.db2.gz MUBMYJARYBZJLP-ALCCZGGFSA-N 0 3 319.405 1.997 20 5 DDBDHN C[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000292624416 223174986 /nfs/dbraw/zinc/17/49/86/223174986.db2.gz MENBDTVFNMVOQY-JTQLQIEISA-N 0 3 301.368 1.071 20 5 DDBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000618923668 363803347 /nfs/dbraw/zinc/80/33/47/363803347.db2.gz KAHYGGIRGQZZON-OAHLLOKOSA-N 0 3 307.350 1.124 20 5 DDBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000349206370 283873951 /nfs/dbraw/zinc/87/39/51/283873951.db2.gz ACIQIVNYTDENKS-ZYHUDNBSSA-N 0 3 307.350 1.923 20 5 DDBDHN Cc1[nH]nc(C(=O)Nc2ccc3c(c2F)CCNC3)c1[N+](=O)[O-] ZINC000261767613 203112258 /nfs/dbraw/zinc/11/22/58/203112258.db2.gz QXVXYDLGEJSYKF-UHFFFAOYSA-N 0 3 319.296 1.663 20 5 DDBDHN COc1cc(CCNC(=O)C(C)(C)N)c([N+](=O)[O-])cc1OC ZINC000262170271 203218371 /nfs/dbraw/zinc/21/83/71/203218371.db2.gz DZBGFIMTFBRYOA-UHFFFAOYSA-N 0 3 311.338 1.008 20 5 DDBDHN CCOC(=O)[C@H](C)[C@H](C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000274889854 212011757 /nfs/dbraw/zinc/01/17/57/212011757.db2.gz JEEWLVYOPVNILK-UHIISALHSA-N 0 3 310.350 1.806 20 5 DDBDHN CC(C)[C@@H](CCO)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000273937991 211191803 /nfs/dbraw/zinc/19/18/03/211191803.db2.gz CYXPUKZINAWZAG-SMDDNHRTSA-N 0 3 309.366 1.918 20 5 DDBDHN CN(CCc1ccccc1[N+](=O)[O-])CCn1ccc([N+](=O)[O-])n1 ZINC000285265540 218358986 /nfs/dbraw/zinc/35/89/86/218358986.db2.gz IFRQWORKZBXTSG-UHFFFAOYSA-N 0 3 319.321 1.874 20 5 DDBDHN Cc1c([C@@H](C)NCCCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000268957225 207120940 /nfs/dbraw/zinc/12/09/40/207120940.db2.gz YZZBCQDJQIXOHD-LLVKDONJSA-N 0 3 300.380 1.989 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC2CC(F)(F)C2)c1 ZINC000568078294 304267044 /nfs/dbraw/zinc/26/70/44/304267044.db2.gz MLJSIOZEJRAUGV-LLVKDONJSA-N 0 3 302.277 1.722 20 5 DDBDHN C[C@@H](N[C@@H](C)CN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000155086090 197020411 /nfs/dbraw/zinc/02/04/11/197020411.db2.gz RENGXNFUOGPKPP-UONOGXRCSA-N 0 3 306.410 1.881 20 5 DDBDHN Cn1cc(CN[C@H]2C[C@@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294845254 224260142 /nfs/dbraw/zinc/26/01/42/224260142.db2.gz MZDCIUXKMLBWSA-XBXGTLAGSA-N 0 3 302.334 1.608 20 5 DDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CNCCC1(F)F ZINC000414662782 224369185 /nfs/dbraw/zinc/36/91/85/224369185.db2.gz RIBHJGYGSYQROT-JTQLQIEISA-N 0 3 300.265 1.714 20 5 DDBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C1CCN(C)CC1 ZINC000121693444 195330318 /nfs/dbraw/zinc/33/03/18/195330318.db2.gz LYRHWCAOKYYUKJ-UHFFFAOYSA-N 0 3 309.341 1.829 20 5 DDBDHN CN(CCN1CCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000103117065 407331323 /nfs/dbraw/zinc/33/13/23/407331323.db2.gz FROQSAQBFQKQOO-UHFFFAOYSA-N 0 3 310.329 1.484 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000125958267 407401898 /nfs/dbraw/zinc/40/18/98/407401898.db2.gz FLGOHYZDCUECCY-SNVBAGLBSA-N 0 3 309.370 1.241 20 5 DDBDHN C[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000171609699 407720357 /nfs/dbraw/zinc/72/03/57/407720357.db2.gz SSYWRAXWKYAZGE-NSHDSACASA-N 0 3 306.366 1.877 20 5 DDBDHN O=C([C@@H]1CCCCN1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237937110 407850407 /nfs/dbraw/zinc/85/04/07/407850407.db2.gz MLFSLINQLWIZFR-ZDUSSCGKSA-N 0 3 318.377 1.386 20 5 DDBDHN COc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268242971 407963918 /nfs/dbraw/zinc/96/39/18/407963918.db2.gz VGABIQLVQBMZAW-ZWNOBZJWSA-N 0 3 319.361 1.816 20 5 DDBDHN COc1cc(C(=O)N2C[C@H](C)NC[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000272589901 407999236 /nfs/dbraw/zinc/99/92/36/407999236.db2.gz PJBRRXIBHNBZRP-VHSXEESVSA-N 0 3 323.349 1.434 20 5 DDBDHN CN1CC[C@@H](Cn2nnnc2Sc2ncccc2[N+](=O)[O-])C1 ZINC000131944389 162026979 /nfs/dbraw/zinc/02/69/79/162026979.db2.gz ICLRYJNBQHHAFA-SECBINFHSA-N 0 3 321.366 1.079 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177128916 408529040 /nfs/dbraw/zinc/52/90/40/408529040.db2.gz KQFOATOKPVTRCR-AAEUAGOBSA-N 0 3 303.362 1.879 20 5 DDBDHN CC[C@@H](O)[C@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000269937118 408475487 /nfs/dbraw/zinc/47/54/87/408475487.db2.gz YQQDXZNBRGGCQF-ZIAGYGMSSA-N 0 3 309.366 1.382 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270490040 408550426 /nfs/dbraw/zinc/55/04/26/408550426.db2.gz OGUYTCVSNYLOLZ-CHWSQXEVSA-N 0 3 309.391 1.712 20 5 DDBDHN CN(C)[C@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000161165161 408566725 /nfs/dbraw/zinc/56/67/25/408566725.db2.gz DQXZZMXSDCCIER-QMMMGPOBSA-N 0 3 315.171 1.893 20 5 DDBDHN O=[N+]([O-])c1cccc(CN(C[C@H](O)Cn2cccn2)C2CC2)c1 ZINC000177999952 408755181 /nfs/dbraw/zinc/75/51/81/408755181.db2.gz UGDSCMTVAAIFTD-INIZCTEOSA-N 0 3 316.361 1.817 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CC1(N(C)C)CCC1 ZINC000188082428 163039723 /nfs/dbraw/zinc/03/97/23/163039723.db2.gz AJGAEKZMAYIGAV-UHFFFAOYSA-N 0 3 306.366 1.855 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC[C@H]1CCO ZINC000286172936 408935768 /nfs/dbraw/zinc/93/57/68/408935768.db2.gz OSUQJYPACXBHMV-SWLSCSKDSA-N 0 3 321.377 1.982 20 5 DDBDHN COc1cc(C(=O)N2CCN[C@H](C)[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000277434370 408940823 /nfs/dbraw/zinc/94/08/23/408940823.db2.gz CULVNWUKXWCPQP-ZJUUUORDSA-N 0 3 323.349 1.434 20 5 DDBDHN COc1ccc(NC(=O)CN[C@H]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000277498263 408952254 /nfs/dbraw/zinc/95/22/54/408952254.db2.gz PGVOFMDADFKFJZ-JQWIXIFHSA-N 0 3 323.349 1.557 20 5 DDBDHN O=C1C[C@@]2(CCN(CCOc3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000278917643 409112540 /nfs/dbraw/zinc/11/25/40/409112540.db2.gz RDDCCILCFQEFNH-HNNXBMFYSA-N 0 3 305.334 1.186 20 5 DDBDHN CC[C@@H](NC(=O)[C@H](N)CCC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000288830865 409185281 /nfs/dbraw/zinc/18/52/81/409185281.db2.gz UZVWDRFEWQFCIA-CHWSQXEVSA-N 0 3 323.349 1.443 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283428229 409154815 /nfs/dbraw/zinc/15/48/15/409154815.db2.gz IZXYEVKKLOPBLH-VIFPVBQESA-N 0 3 310.329 1.530 20 5 DDBDHN COC(=O)c1cc(C)nc(N[C@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000283732339 409205743 /nfs/dbraw/zinc/20/57/43/409205743.db2.gz IAMRPGFBICMZSX-NSHDSACASA-N 0 3 322.365 1.979 20 5 DDBDHN CCCc1n[n-]c(C(=O)NCC[N@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000280264799 409280105 /nfs/dbraw/zinc/28/01/05/409280105.db2.gz OUKHJYUWOUHHRM-UHFFFAOYSA-N 0 3 307.354 1.262 20 5 DDBDHN CCCc1n[n-]c(C(=O)NCC[N@@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000280264799 409280108 /nfs/dbraw/zinc/28/01/08/409280108.db2.gz OUKHJYUWOUHHRM-UHFFFAOYSA-N 0 3 307.354 1.262 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCCN2C)c1 ZINC000316971050 164025251 /nfs/dbraw/zinc/02/52/51/164025251.db2.gz ZUTZPVUIULXIKP-LBPRGKRZSA-N 0 3 307.350 1.912 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCN(CC(C)C)CC1 ZINC000363442177 164160278 /nfs/dbraw/zinc/16/02/78/164160278.db2.gz PYEUXRMXLHKIEZ-UHFFFAOYSA-N 0 3 323.397 1.290 20 5 DDBDHN CN(C)C[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000357099117 409873344 /nfs/dbraw/zinc/87/33/44/409873344.db2.gz URPWJGDLHQTNJO-CYBMUJFWSA-N 0 3 309.341 1.829 20 5 DDBDHN COc1cc(Cc2noc([C@@H]3CCN(C)C3)n2)ccc1[N+](=O)[O-] ZINC000350154633 409926878 /nfs/dbraw/zinc/92/68/78/409926878.db2.gz DXFXTFSVPRWMJF-LLVKDONJSA-N 0 3 318.333 1.996 20 5 DDBDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000332726615 410238472 /nfs/dbraw/zinc/23/84/72/410238472.db2.gz SNUXIAWBLAEOAH-MWLCHTKSSA-N 0 3 313.379 1.183 20 5 DDBDHN CC[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)N(CC)CC ZINC000332732885 410240973 /nfs/dbraw/zinc/24/09/73/410240973.db2.gz SNLIELFHMVFUOE-OAHLLOKOSA-N 0 3 320.393 1.995 20 5 DDBDHN CN(C)CCOc1ccc(CNc2c([N+](=O)[O-])ncn2C)cc1 ZINC000298715829 410363531 /nfs/dbraw/zinc/36/35/31/410363531.db2.gz MPCLABRBJWTNOR-UHFFFAOYSA-N 0 3 319.365 1.881 20 5 DDBDHN CCN1CCC(Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000299042916 410496286 /nfs/dbraw/zinc/49/62/86/410496286.db2.gz DGZSYOUXJZEXKY-UHFFFAOYSA-N 0 3 306.366 1.851 20 5 DDBDHN COc1ccc(CNC(=O)NC[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000299251539 410582560 /nfs/dbraw/zinc/58/25/60/410582560.db2.gz PJETXVMGTSHDGU-GFCCVEGCSA-N 0 3 322.365 1.497 20 5 DDBDHN CCN1CCC[C@@H]1CNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000301061841 410647048 /nfs/dbraw/zinc/64/70/48/410647048.db2.gz CIIUEEGVYWLMNF-GFCCVEGCSA-N 0 3 306.366 1.851 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343802147 410712774 /nfs/dbraw/zinc/71/27/74/410712774.db2.gz SORXJRVKRHHPSW-DOMZBBRYSA-N 0 3 320.393 1.919 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c1 ZINC000343829905 410731752 /nfs/dbraw/zinc/73/17/52/410731752.db2.gz NHUCSGXQWPTVRC-QMTHXVAHSA-N 0 3 319.361 1.816 20 5 DDBDHN CCOC(=O)c1cc(N2CCCN(C)CC2)ccc1[N+](=O)[O-] ZINC000301612163 410755620 /nfs/dbraw/zinc/75/56/20/410755620.db2.gz FPFBQTHWQXEXMJ-UHFFFAOYSA-N 0 3 307.350 1.913 20 5 DDBDHN CC(C)N(C)CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359623904 410778202 /nfs/dbraw/zinc/77/82/02/410778202.db2.gz LBQBWGVCYQGHAH-UHFFFAOYSA-N 0 3 307.350 1.656 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)CN1C ZINC000330585670 410801262 /nfs/dbraw/zinc/80/12/62/410801262.db2.gz LMJAWGNPQMDSOE-NFAWXSAZSA-N 0 3 323.393 1.359 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN1CC=C(C)CC1 ZINC000348356573 410931416 /nfs/dbraw/zinc/93/14/16/410931416.db2.gz ZJJLNWHLFLVPDD-UHFFFAOYSA-N 0 3 321.381 1.258 20 5 DDBDHN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)c1ccccc1 ZINC000356473246 411047163 /nfs/dbraw/zinc/04/71/63/411047163.db2.gz DCQZQWFHEOJJFE-ZDUSSCGKSA-N 0 3 317.349 1.361 20 5 DDBDHN O=C(NCCNc1ccncc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344202105 411024824 /nfs/dbraw/zinc/02/48/24/411024824.db2.gz BEFRLEYSPJYHOO-UHFFFAOYSA-N 0 3 304.281 1.393 20 5 DDBDHN COC[C@]1(C)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000296665987 226103672 /nfs/dbraw/zinc/10/36/72/226103672.db2.gz KJOKVXOJRGIMRP-GOEBONIOSA-N 0 3 324.377 1.693 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)N2CCCCC2)n1 ZINC000191757061 222108813 /nfs/dbraw/zinc/10/88/13/222108813.db2.gz NESQNTUDGGDTFO-UHFFFAOYSA-N 0 3 323.397 1.806 20 5 DDBDHN Cc1ccc(NC(=O)NCCOCCN(C)C)cc1[N+](=O)[O-] ZINC000361432633 418651735 /nfs/dbraw/zinc/65/17/35/418651735.db2.gz RBTJVCGVDLVCJJ-UHFFFAOYSA-N 0 3 310.354 1.603 20 5 DDBDHN C[C@H]1OCC[C@@H]1N(CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000361587114 418688111 /nfs/dbraw/zinc/68/81/11/418688111.db2.gz UWNFTDBMEYHTSN-DOMZBBRYSA-N 0 3 310.350 1.445 20 5 DDBDHN CN(CCN1CCCC1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000361614405 418691806 /nfs/dbraw/zinc/69/18/06/418691806.db2.gz CNPLBGGGEUEUAZ-UHFFFAOYSA-N 0 3 320.393 1.585 20 5 DDBDHN COC(=O)[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000373184992 418931061 /nfs/dbraw/zinc/93/10/61/418931061.db2.gz YBYUHESSBVYYAU-LBPRGKRZSA-N 0 3 308.338 1.066 20 5 DDBDHN CN(C[C@H]1CCCN1C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000421701625 419689832 /nfs/dbraw/zinc/68/98/32/419689832.db2.gz HZVJSHWLYFUTMT-CYBMUJFWSA-N 0 3 307.350 1.526 20 5 DDBDHN COc1cc(C(=O)N(C)C[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000421703782 419690096 /nfs/dbraw/zinc/69/00/96/419690096.db2.gz NAJBVFHIGVKWHZ-GFCCVEGCSA-N 0 3 307.350 1.770 20 5 DDBDHN Cc1ccc(C)c(CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000429299016 419998720 /nfs/dbraw/zinc/99/87/20/419998720.db2.gz FLPJYTHNUMXETE-MRXNPFEDSA-N 0 3 318.377 1.901 20 5 DDBDHN CN(C)CC[C@](C)(O)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000420010830 420090351 /nfs/dbraw/zinc/09/03/51/420090351.db2.gz HMGSGSMZTFOHGH-AWEZNQCLSA-N 0 3 313.329 1.166 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H]2CCC[C@@H](C1)N2 ZINC000420346839 420224735 /nfs/dbraw/zinc/22/47/35/420224735.db2.gz DUNOXDUAQSXPAY-BETUJISGSA-N 0 3 318.377 1.668 20 5 DDBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000420351588 420229534 /nfs/dbraw/zinc/22/95/34/420229534.db2.gz XKMVRXWEUQQSFB-FPMFFAJLSA-N 0 3 318.377 1.748 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1 ZINC000425061079 420325383 /nfs/dbraw/zinc/32/53/83/420325383.db2.gz XWXUTQWREBVULP-XHDPSFHLSA-N 0 3 319.361 1.770 20 5 DDBDHN Cc1n[nH]c(C(=O)NC[C@H]2CCCCN2CC(C)C)c1[N+](=O)[O-] ZINC000439696150 420532437 /nfs/dbraw/zinc/53/24/37/420532437.db2.gz MVLMLJCUSXGIHU-GFCCVEGCSA-N 0 3 323.397 1.867 20 5 DDBDHN Cc1c(CC(=O)N(C)[C@@H]2CN3CCC2CC3)cccc1[N+](=O)[O-] ZINC000438987313 420475098 /nfs/dbraw/zinc/47/50/98/420475098.db2.gz TUPXLAAHCVMPJI-MRXNPFEDSA-N 0 3 317.389 1.998 20 5 DDBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000457084329 420604389 /nfs/dbraw/zinc/60/43/89/420604389.db2.gz GPBFFBBJDWYZRO-LLVKDONJSA-N 0 3 306.366 1.732 20 5 DDBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000457094618 420610076 /nfs/dbraw/zinc/61/00/76/420610076.db2.gz OUNWPHHDRXKANG-SNVBAGLBSA-N 0 3 307.354 1.127 20 5 DDBDHN CNc1nc(C(=O)NCCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000454753497 420920187 /nfs/dbraw/zinc/92/01/87/420920187.db2.gz QZWXVSIOZZKJRI-UHFFFAOYSA-N 0 3 307.354 1.247 20 5 DDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000552041291 421570187 /nfs/dbraw/zinc/57/01/87/421570187.db2.gz HHPRWCOVBJIQAV-VXGBXAGGSA-N 0 3 306.366 1.632 20 5 DDBDHN CC[C@H]1CN(C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000572395924 421783487 /nfs/dbraw/zinc/78/34/87/421783487.db2.gz OXPXGHVEKIQFEQ-AWEZNQCLSA-N 0 3 320.393 1.949 20 5 DDBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000574782458 422180314 /nfs/dbraw/zinc/18/03/14/422180314.db2.gz ZNYIQFLKWVORDN-LLVKDONJSA-N 0 3 309.370 1.275 20 5 DDBDHN CN(C)CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000097024516 263336237 /nfs/dbraw/zinc/33/62/37/263336237.db2.gz SCYCQUNJHSZNMM-UHFFFAOYSA-N 0 3 317.349 1.287 20 5 DDBDHN CC(C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)S(C)(=O)=O ZINC000186306122 263398321 /nfs/dbraw/zinc/39/83/21/263398321.db2.gz XOGWCZKRWCREEC-SSDOTTSWSA-N 0 3 320.754 1.298 20 5 DDBDHN NC(=O)c1cccc(N2CC[C@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000342209366 271340163 /nfs/dbraw/zinc/34/01/63/271340163.db2.gz RUYLMPDDLJJOPO-LBPRGKRZSA-N 0 3 318.377 1.758 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCCN(CCO)CC2)c2cccnc21 ZINC000320971237 275036092 /nfs/dbraw/zinc/03/60/92/275036092.db2.gz XEWOFIKTTHSRNF-UHFFFAOYSA-N 0 3 316.361 1.647 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)NCC2(N(C)C)CCC2)c1[N+](=O)[O-] ZINC000275803689 275722385 /nfs/dbraw/zinc/72/23/85/275722385.db2.gz CSFJOUGVZUCTTB-UHFFFAOYSA-N 0 3 309.370 1.655 20 5 DDBDHN CCN(CCN1CCCCCC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000331568362 276124533 /nfs/dbraw/zinc/12/45/33/276124533.db2.gz USXMRCYTOMQRTO-UHFFFAOYSA-N 0 3 309.370 1.656 20 5 DDBDHN CN(C)CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000130517524 276791123 /nfs/dbraw/zinc/79/11/23/276791123.db2.gz MARYLPONWSCKEV-UHFFFAOYSA-N 0 3 305.256 1.905 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CC[NH3+])c1C ZINC000447256397 281015774 /nfs/dbraw/zinc/01/57/74/281015774.db2.gz KYMWINCAPAQRQF-VIFPVBQESA-N 0 3 301.368 1.227 20 5 DDBDHN CN(CCN1CCCC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000124367869 281189607 /nfs/dbraw/zinc/18/96/07/281189607.db2.gz LMTKCVQBPAKUQW-UHFFFAOYSA-N 0 3 320.349 1.088 20 5 DDBDHN CN(CCCC(=O)OC(C)(C)C)CCn1ccc([N+](=O)[O-])n1 ZINC000357932318 299024052 /nfs/dbraw/zinc/02/40/52/299024052.db2.gz RWBUEDBLHJUMLZ-UHFFFAOYSA-N 0 3 312.370 1.845 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@@H]21 ZINC000362279594 300042664 /nfs/dbraw/zinc/04/26/64/300042664.db2.gz HQQQUWXEYODFOY-ZANVPECISA-N 0 3 322.340 1.482 20 5 DDBDHN COCCO[C@H]1COCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1C ZINC000362506479 300081246 /nfs/dbraw/zinc/08/12/46/300081246.db2.gz AYGQQSIMSPFXIA-HOTGVXAUSA-N 0 3 324.377 1.813 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CCC(c3cnc[nH]3)CC2)c1[N+](=O)[O-] ZINC000378082558 302276153 /nfs/dbraw/zinc/27/61/53/302276153.db2.gz HTRAWPZBMQVMCJ-UHFFFAOYSA-N 0 3 318.337 1.623 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000357667894 306904655 /nfs/dbraw/zinc/90/46/55/306904655.db2.gz QNZSGMYQBQUEJZ-LLVKDONJSA-N 0 3 315.395 1.522 20 5 DDBDHN COc1ccc(OCCN2C[C@H](CO)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000362086969 307013583 /nfs/dbraw/zinc/01/35/83/307013583.db2.gz LFXAKBUVMMJIAF-VXGBXAGGSA-N 0 3 310.350 1.542 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000566797711 308064021 /nfs/dbraw/zinc/06/40/21/308064021.db2.gz MDNHTHFZSGMIMP-LBPRGKRZSA-N 0 3 315.333 1.027 20 5 DDBDHN CS(=O)(=O)CC1(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000583451483 332423672 /nfs/dbraw/zinc/42/36/72/332423672.db2.gz WHESYDPWIKSCQZ-ZDUSSCGKSA-N 0 3 324.402 1.997 20 5 DDBDHN CC(C)OC[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000493796300 484238855 /nfs/dbraw/zinc/23/88/55/484238855.db2.gz OTSKTBCHCUMZAA-TZMCWYRMSA-N 0 3 324.381 1.262 20 5 DDBDHN CS[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000451308209 533980611 /nfs/dbraw/zinc/98/06/11/533980611.db2.gz AFGFPSSGHFQTRT-TZMCWYRMSA-N 0 3 312.391 1.772 20 5 DDBDHN CCOC(=O)[C@H]1NCC[C@H]1NCCc1cccc([N+](=O)[O-])c1 ZINC000423016980 528093174 /nfs/dbraw/zinc/09/31/74/528093174.db2.gz VFECZVZDHGWIMH-KGLIPLIRSA-N 0 3 307.350 1.021 20 5 DDBDHN CCC[N@H+](CC)CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821095175 606138913 /nfs/dbraw/zinc/13/89/13/606138913.db2.gz ZULYVCRSUPFUJJ-UHFFFAOYSA-N 0 3 319.369 1.919 20 5 DDBDHN CCC[N@@H+](CC)CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821095175 606138914 /nfs/dbraw/zinc/13/89/14/606138914.db2.gz ZULYVCRSUPFUJJ-UHFFFAOYSA-N 0 3 319.369 1.919 20 5 DDBDHN CCC[N@H+](CC)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821095175 606138915 /nfs/dbraw/zinc/13/89/15/606138915.db2.gz ZULYVCRSUPFUJJ-UHFFFAOYSA-N 0 3 319.369 1.919 20 5 DDBDHN CCC[N@@H+](CC)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821095175 606138918 /nfs/dbraw/zinc/13/89/18/606138918.db2.gz ZULYVCRSUPFUJJ-UHFFFAOYSA-N 0 3 319.369 1.919 20 5 DDBDHN C[C@@H](NCCOCCS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000178658844 697427108 /nfs/dbraw/zinc/42/71/08/697427108.db2.gz XZISPNLMESUSET-LLVKDONJSA-N 0 3 316.379 1.307 20 5 DDBDHN COC(=O)[C@]1(C)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776586975 698122491 /nfs/dbraw/zinc/12/24/91/698122491.db2.gz RTDPGTMBFZCJDY-UKRRQHHQSA-N 0 3 308.334 1.513 20 5 DDBDHN COC(=O)[C@H]1[C@@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000794969688 699838999 /nfs/dbraw/zinc/83/89/99/699838999.db2.gz BFUWFCFDKCCTKJ-FICVDOATSA-N 0 3 320.345 1.715 20 5 DDBDHN CC(COC(=O)CCCNC(=O)c1ccc(F)cc1)[N+](=O)[O-] ZINC000813104992 702293102 /nfs/dbraw/zinc/29/31/02/702293102.db2.gz IXPGNYPGESGTIA-JTQLQIEISA-N 0 3 312.297 1.544 20 5 DDBDHN CC(COC(=O)COc1ccc2c(c1)CCC(=O)N2)[N+](=O)[O-] ZINC000813108689 702295483 /nfs/dbraw/zinc/29/54/83/702295483.db2.gz KDADLQFNGKACSS-SECBINFHSA-N 0 3 308.290 1.159 20 5 DDBDHN Cc1ccc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1F ZINC000813109425 702295823 /nfs/dbraw/zinc/29/58/23/702295823.db2.gz SBSPEKAGZWARIU-MNOVXSKESA-N 0 3 324.308 1.695 20 5 DDBDHN COc1ccc(-n2ccc(C(=O)OCC(C)[N+](=O)[O-])n2)cc1 ZINC000813109576 702296051 /nfs/dbraw/zinc/29/60/51/702296051.db2.gz MKMAKDKEFWJDIO-JTQLQIEISA-N 0 3 305.290 1.703 20 5 DDBDHN CC(COC(=O)C1CCN(C(=O)N2CCCC2)CC1)[N+](=O)[O-] ZINC000813110677 702297331 /nfs/dbraw/zinc/29/73/31/702297331.db2.gz HKLYZMRRTDSHGX-NSHDSACASA-N 0 3 313.354 1.123 20 5 DDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1nc(C)cc(C)n1 ZINC000813114770 702299043 /nfs/dbraw/zinc/29/90/43/702299043.db2.gz WLCFZQXTNXPYKA-NSHDSACASA-N 0 3 319.321 1.410 20 5 DDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCCN1C ZINC000817492516 702390809 /nfs/dbraw/zinc/39/08/09/702390809.db2.gz XTECNXXHWMGKQT-CYBMUJFWSA-N 0 3 320.393 1.827 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000843063814 702811625 /nfs/dbraw/zinc/81/16/25/702811625.db2.gz AWROHLCULGRCMP-GVDBMIGSSA-N 0 3 314.341 1.876 20 5 DDBDHN CC(COC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CC1)[N+](=O)[O-] ZINC000851036984 703774908 /nfs/dbraw/zinc/77/49/08/703774908.db2.gz PAWXMGMBOIWLPJ-MRVPVSSYSA-N 0 3 305.290 1.899 20 5 DDBDHN O=[N+]([O-])c1cnn(CCNC[C@@H](O)c2c(F)cccc2F)c1 ZINC000819176621 704081669 /nfs/dbraw/zinc/08/16/69/704081669.db2.gz LJZLRAAFCGSKBI-GFCCVEGCSA-N 0 3 312.276 1.393 20 5 DDBDHN CN1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCC1(C)C ZINC000871156296 704232985 /nfs/dbraw/zinc/23/29/85/704232985.db2.gz VQHQJZKGCGWMSR-UHFFFAOYSA-N 0 3 306.366 1.733 20 5 DDBDHN COc1ncc(C(=O)OCC(C)[N+](=O)[O-])cc1Br ZINC000821166953 704377892 /nfs/dbraw/zinc/37/78/92/704377892.db2.gz LAOPHMCRJSLKES-LURJTMIESA-N 0 3 319.111 1.675 20 5 DDBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000855899217 704505418 /nfs/dbraw/zinc/50/54/18/704505418.db2.gz INGIBXUTYAVJHX-NSHDSACASA-N 0 3 321.381 1.422 20 5 DDBDHN CC(C)N1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825676176 705712685 /nfs/dbraw/zinc/71/26/85/705712685.db2.gz SVXIGNOGWGMSKD-OAHLLOKOSA-N 0 3 321.377 1.571 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN[C@@]2(c3ccccc3)C[C@@H](O)C2)c1 ZINC000880223147 706913654 /nfs/dbraw/zinc/91/36/54/706913654.db2.gz UUXVEQZKVZZUCW-GASCZTMLSA-N 0 3 302.334 1.431 20 5 DDBDHN C[C@@H]1c2sccc2CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880377833 706956900 /nfs/dbraw/zinc/95/69/00/706956900.db2.gz GMMNFRWPBVZAQK-MFKMUULPSA-N 0 3 322.390 1.833 20 5 DDBDHN COc1ccc(CN(CCO)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000880571122 707022142 /nfs/dbraw/zinc/02/21/42/707022142.db2.gz LWJSLLVCJNEOAG-UHFFFAOYSA-N 0 3 320.349 1.294 20 5 DDBDHN CC(COC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000835453772 707255174 /nfs/dbraw/zinc/25/51/74/707255174.db2.gz GKGZDDMLVKGATE-SECBINFHSA-N 0 3 310.262 1.766 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H]2CCCN3CCO)c(F)c1 ZINC000897220526 708258871 /nfs/dbraw/zinc/25/88/71/708258871.db2.gz XCDXIFYUDIIXLQ-CABCVRRESA-N 0 3 309.341 1.769 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3C[C@@]34CCOC4)CC2)cn1 ZINC000885937555 708666671 /nfs/dbraw/zinc/66/66/71/708666671.db2.gz CFRICXNOFBXJQM-CZUORRHYSA-N 0 3 318.377 1.538 20 5 DDBDHN CCN1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910269080 709853385 /nfs/dbraw/zinc/85/33/85/709853385.db2.gz DSOGJLVYQBLFKU-SWLSCSKDSA-N 0 3 321.377 1.571 20 5 DDBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC(N2CCCC2)C1 ZINC000912328215 711281320 /nfs/dbraw/zinc/28/13/20/711281320.db2.gz YYFLDPYQXSDHMF-YVMONPNESA-N 0 3 301.346 1.915 20 5 DDBDHN Cc1cc(NCC[C@@H]2CNC(=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000896134151 711680472 /nfs/dbraw/zinc/68/04/72/711680472.db2.gz LGMDAKIISKOSFW-NSHDSACASA-N 0 3 314.345 1.811 20 5 DDBDHN CCOc1ccc(NC(=O)CN[C@H](CC)CO)c([N+](=O)[O-])c1 ZINC000916570827 713458435 /nfs/dbraw/zinc/45/84/35/713458435.db2.gz WUIIMEPUPINAIV-SNVBAGLBSA-N 0 3 311.338 1.293 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CCN1C ZINC000920599392 713682046 /nfs/dbraw/zinc/68/20/46/713682046.db2.gz TUYFZWKSOOISLL-DGCLKSJQSA-N 0 3 306.366 1.529 20 5 DDBDHN COCC(COC)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929988947 713730066 /nfs/dbraw/zinc/73/00/66/713730066.db2.gz PAMZKIPXVYTZKU-LLVKDONJSA-N 0 3 310.354 1.137 20 5 DDBDHN CNc1c(C(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)cccc1[N+](=O)[O-] ZINC000923271085 714292176 /nfs/dbraw/zinc/29/21/76/714292176.db2.gz KKQMVPCKZWXTJV-NEPJUHHUSA-N 0 3 318.377 1.945 20 5 DDBDHN CNc1ccc(C(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)cc1[N+](=O)[O-] ZINC000923313157 714308127 /nfs/dbraw/zinc/30/81/27/714308127.db2.gz WIHVKXMCWFEQGX-OLZOCXBDSA-N 0 3 318.377 1.945 20 5 DDBDHN CC[C@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924774252 714661353 /nfs/dbraw/zinc/66/13/53/714661353.db2.gz AVIPKOAPCMMIGM-QWHCGFSZSA-N 0 3 320.349 1.528 20 5 DDBDHN Cn1cc(CN2CCCC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])n1 ZINC000934832075 714912776 /nfs/dbraw/zinc/91/27/76/714912776.db2.gz NIFDRDMJQCTBSO-OLZOCXBDSA-N 0 3 308.382 1.967 20 5 DDBDHN O=C(Cc1cccnc1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125701803 735343619 /nfs/dbraw/zinc/34/36/19/735343619.db2.gz WIJSFFUQFOTPDI-UHFFFAOYSA-N 0 3 314.345 1.438 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccc(F)cn1 ZINC001126066716 738222801 /nfs/dbraw/zinc/22/28/01/738222801.db2.gz OBASUBWNIIPWCX-UHFFFAOYSA-N 0 3 318.308 1.649 20 5 DDBDHN COC1(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001126311614 739021883 /nfs/dbraw/zinc/02/18/83/739021883.db2.gz LUPRRATUMDGJMW-UHFFFAOYSA-N 0 3 321.377 1.760 20 5 DDBDHN O=C(CN1CCCC1)NC/C=C/CNc1ccc([N+](=O)[O-])cn1 ZINC001107201539 749555689 /nfs/dbraw/zinc/55/56/89/749555689.db2.gz TVTNJZCZEXLFKC-OWOJBTEDSA-N 0 3 319.365 1.170 20 5 DDBDHN Cc1ncc(CN2CCC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001005381338 749932166 /nfs/dbraw/zinc/93/21/66/749932166.db2.gz ISSHDHIPZPCDFJ-ZIAGYGMSSA-N 0 3 322.365 1.071 20 5 DDBDHN COc1ccc(N2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169057473 762211231 /nfs/dbraw/zinc/21/12/31/762211231.db2.gz VUCAIDMSGOIVMH-KGLIPLIRSA-N 0 3 320.393 1.658 20 5 DDBDHN CCCN(C)CC(=O)N[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001097203290 756971826 /nfs/dbraw/zinc/97/18/26/756971826.db2.gz BJVVSZGWKOOAHD-TXEJJXNPSA-N 0 3 321.381 1.391 20 5 DDBDHN O=[N+]([O-])c1cc(F)cnc1N1CCO[C@@H](CN2CCCC2)C1 ZINC001158305880 767964409 /nfs/dbraw/zinc/96/44/09/767964409.db2.gz SXMDCWKSLZHYQG-LBPRGKRZSA-N 0 3 310.329 1.430 20 5 DDBDHN COCC(C)(C)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001131321609 767988173 /nfs/dbraw/zinc/98/81/73/767988173.db2.gz HQXOCAOXPIUBIT-UHFFFAOYSA-N 0 3 309.366 1.473 20 5 DDBDHN C[C@@H](Nc1cc2cccnc2c([N+](=O)[O-])c1)[C@@H]1CNCCO1 ZINC001170567286 768175776 /nfs/dbraw/zinc/17/57/76/768175776.db2.gz CQKWVISSWFGZTE-YGRLFVJLSA-N 0 3 302.334 1.932 20 5 DDBDHN COc1ccc(C[C@H](C)N2CC[C@@H](O)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170334410 766256802 /nfs/dbraw/zinc/25/68/02/766256802.db2.gz DGUXSSZQEXHVRR-NORZTCDRSA-N 0 3 324.377 1.210 20 5 DDBDHN Cc1ncc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)n1C ZINC001132889366 769291812 /nfs/dbraw/zinc/29/18/12/769291812.db2.gz BGYSXQBIPSZVAQ-UHFFFAOYSA-N 0 3 317.349 1.156 20 5 DDBDHN CCN(CC)CC(=O)NCCNc1ncc(C)cc1[N+](=O)[O-] ZINC001093646471 774946743 /nfs/dbraw/zinc/94/67/43/774946743.db2.gz BUIPEHARPWGVPQ-UHFFFAOYSA-N 0 3 309.370 1.168 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCC2OCCO2)c1F ZINC001173189314 777036712 /nfs/dbraw/zinc/03/67/12/777036712.db2.gz OJHYSZBXOZEFCL-SECBINFHSA-N 0 3 314.313 1.636 20 5 DDBDHN NCc1cn(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)cn1 ZINC001154906851 861559429 /nfs/dbraw/zinc/55/94/29/861559429.db2.gz PLWUYSPHWPKSFC-UHFFFAOYSA-N 0 3 303.656 1.896 20 5 DDBDHN NCc1cn(-c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])cn1 ZINC001154910386 861564690 /nfs/dbraw/zinc/56/46/90/861564690.db2.gz IDXZCHDQLGHEIE-UHFFFAOYSA-N 0 3 322.634 1.701 20 5 DDBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001122179335 858704871 /nfs/dbraw/zinc/70/48/71/858704871.db2.gz DAABOGCNVQUXJI-WOPDTQHZSA-N 0 3 307.350 1.571 20 5 DDBDHN O=C(CCn1cccn1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001123712095 859374825 /nfs/dbraw/zinc/37/48/25/859374825.db2.gz BTHZTAVYXBKJSS-UHFFFAOYSA-N 0 3 317.349 1.087 20 5 DDBDHN Cc1nc(C)c(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)o1 ZINC001125209602 859920645 /nfs/dbraw/zinc/92/06/45/859920645.db2.gz WEPBPDFWUNKALU-UHFFFAOYSA-N 0 3 318.333 1.719 20 5 DDBDHN CN1CCN(C(=N)Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001157915947 864257039 /nfs/dbraw/zinc/25/70/39/864257039.db2.gz HTQNRPIRLGIDIH-UHFFFAOYSA-N 0 3 314.349 1.737 20 5 DDBDHN CN(C)/C=C/c1cc(N2CCN3CC[C@H]3C2)ncc1[N+](=O)[O-] ZINC001158432319 864652829 /nfs/dbraw/zinc/65/28/29/864652829.db2.gz JMNFRUIWKJPLIC-LQPUYASZSA-N 0 3 303.366 1.416 20 5 DDBDHN C[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001159499875 865358875 /nfs/dbraw/zinc/35/88/75/865358875.db2.gz QGTGUXDLZPHOTC-YGRLFVJLSA-N 0 3 302.334 1.932 20 5 DDBDHN COc1ccnc(NCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC001161700904 866907183 /nfs/dbraw/zinc/90/71/83/866907183.db2.gz VVRCIDWRSJFAEN-UHFFFAOYSA-N 0 3 309.370 1.048 20 5 DDBDHN COCC1(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])CC1 ZINC001162515704 867605143 /nfs/dbraw/zinc/60/51/43/867605143.db2.gz XGDSLVQSRSRNHB-UHFFFAOYSA-N 0 3 321.377 1.617 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001335565328 868387496 /nfs/dbraw/zinc/38/74/96/868387496.db2.gz HYCRISVRUHFJHN-KBPBESRZSA-N 0 3 306.366 1.334 20 5 DDBDHN Cc1cc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)no1 ZINC001317565570 871091611 /nfs/dbraw/zinc/09/16/11/871091611.db2.gz HKFUKLGFGLAPRL-UHFFFAOYSA-N 0 3 318.333 1.753 20 5 DDBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001342628970 872304707 /nfs/dbraw/zinc/30/47/07/872304707.db2.gz JSZGOFKLQHOTDD-RWMBFGLXSA-N 0 3 321.377 1.961 20 5 DDBDHN CC(COC(=O)c1cc2nccc(C(F)(F)F)n2n1)[N+](=O)[O-] ZINC001345008286 873218500 /nfs/dbraw/zinc/21/85/00/873218500.db2.gz YXQYAGVEKXETTG-LURJTMIESA-N 0 3 318.211 1.570 20 5 DDBDHN COC(=O)[C@]1(C(=O)OCC(C)[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC001348532977 874618160 /nfs/dbraw/zinc/61/81/60/874618160.db2.gz HDSMZCXLQAUQNN-NVBFEUDRSA-N 0 3 307.302 1.542 20 5 DDBDHN Cc1noc2nc(O[C@H](C[N+](=O)[O-])C3CC3)c3c(c12)CCNC3 ZINC001218327598 877454418 /nfs/dbraw/zinc/45/44/18/877454418.db2.gz CANAHVIANWGRKM-GFCCVEGCSA-N 0 3 318.333 1.611 20 5 DDBDHN CCOC(=O)c1ccc(CO[C@@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC001223963838 881165220 /nfs/dbraw/zinc/16/52/20/881165220.db2.gz RFBXIBAZEWJWCG-CYBMUJFWSA-N 0 3 308.334 1.992 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001254553295 896498012 /nfs/dbraw/zinc/49/80/12/896498012.db2.gz UQIKMOKMRJMVPR-KCXAZCMYSA-N 0 3 308.378 1.591 20 5 DDBDHN N=c1sc2c(n1[C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CCNC2 ZINC001254603731 896528624 /nfs/dbraw/zinc/52/86/24/896528624.db2.gz QKWWRSGUTRPRRW-GFCCVEGCSA-N 0 3 316.386 1.923 20 5 DDBDHN COCCC(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001280464182 903706851 /nfs/dbraw/zinc/70/68/51/903706851.db2.gz OJUSDRYAGHNRSL-UHFFFAOYSA-N 0 3 321.377 1.760 20 5 DDBDHN CC(C)N(C)CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278237667 214039953 /nfs/dbraw/zinc/03/99/53/214039953.db2.gz VWOGVDKSTFRYDM-UHFFFAOYSA-N 0 3 305.338 1.428 20 5 DDBDHN CCCN(CCN1CCCC1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000286611649 219081190 /nfs/dbraw/zinc/08/11/90/219081190.db2.gz BWGOVEAATQIPNG-UHFFFAOYSA-N 0 3 309.370 1.574 20 5 DDBDHN CCCN(CCN1CCCC1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000286611649 219081192 /nfs/dbraw/zinc/08/11/92/219081192.db2.gz BWGOVEAATQIPNG-UHFFFAOYSA-N 0 3 309.370 1.574 20 5 DDBDHN CN1C[C@@H]2CCCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425047992 529822155 /nfs/dbraw/zinc/82/21/55/529822155.db2.gz NKNZJADSEGZKQM-GXTWGEPZSA-N 0 3 319.361 1.526 20 5 DDBDHN Cc1ccc([C@H](C)NC[C@@H](O)Cn2cccn2)cc1[N+](=O)[O-] ZINC000181836785 199359885 /nfs/dbraw/zinc/35/98/85/199359885.db2.gz UTQSPQVKAGDAEM-GXTWGEPZSA-N 0 3 304.350 1.811 20 5 DDBDHN C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272648483 210052650 /nfs/dbraw/zinc/05/26/50/210052650.db2.gz DPXPOFBMXMMLRL-LBPRGKRZSA-N 0 3 319.361 1.740 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000286944771 219238369 /nfs/dbraw/zinc/23/83/69/219238369.db2.gz KFXPFFZYVDQRST-QMMMGPOBSA-N 0 3 317.292 1.876 20 5 DDBDHN CCOC(=O)c1cc(C(=O)N(C)CCN(C)C)cc([N+](=O)[O-])c1 ZINC000080393389 192155128 /nfs/dbraw/zinc/15/51/28/192155128.db2.gz QMKWNMSROBTCOF-UHFFFAOYSA-N 0 3 323.349 1.405 20 5 DDBDHN Cn1ccnc1[C@H]1OCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000343393890 282655204 /nfs/dbraw/zinc/65/52/04/282655204.db2.gz XCROKVNSYLMXEU-KGLIPLIRSA-N 0 3 302.334 1.948 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@](C)(O)CCOC ZINC000172072801 198034979 /nfs/dbraw/zinc/03/49/79/198034979.db2.gz FKFPPLRFVCBWMM-HNNXBMFYSA-N 0 3 312.366 1.871 20 5 DDBDHN C[C@@H](C[NH+](C)C)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000287222558 219389435 /nfs/dbraw/zinc/38/94/35/219389435.db2.gz ORVPPXBZQLHMHT-VIFPVBQESA-N 0 3 301.293 1.753 20 5 DDBDHN C[C@H](CN1CCCCC1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000027771941 352222901 /nfs/dbraw/zinc/22/29/01/352222901.db2.gz MCHRDFWGGFSXBU-CYBMUJFWSA-N 0 3 321.377 1.964 20 5 DDBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NCCN1CCCC1 ZINC000072634360 191205936 /nfs/dbraw/zinc/20/59/36/191205936.db2.gz QJLHEMRGZYNNIB-UHFFFAOYSA-N 0 3 309.391 1.899 20 5 DDBDHN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(C2CC2)C1 ZINC000067703543 353063179 /nfs/dbraw/zinc/06/31/79/353063179.db2.gz LFLATDWQKVCQAT-WXJAXGNASA-N 0 3 301.346 1.961 20 5 DDBDHN CN(CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC000067282055 353042140 /nfs/dbraw/zinc/04/21/40/353042140.db2.gz LKRWXFHBVSYAGK-UHFFFAOYSA-N 0 3 318.377 1.993 20 5 DDBDHN C[C@@H]1COCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000331928307 234287767 /nfs/dbraw/zinc/28/77/67/234287767.db2.gz DCCVQIMWZFLELA-STQMWFEESA-N 0 3 310.350 1.303 20 5 DDBDHN CC(C)N1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000075938902 353386061 /nfs/dbraw/zinc/38/60/61/353386061.db2.gz CINCOGGCYDUAJJ-UHFFFAOYSA-N 0 3 320.393 1.610 20 5 DDBDHN CCc1nn(C)c(N2CCC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000091453516 353826492 /nfs/dbraw/zinc/82/64/92/353826492.db2.gz OZLKULHDLQCFPC-GFCCVEGCSA-N 0 3 307.398 1.955 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000108301059 353949543 /nfs/dbraw/zinc/94/95/43/353949543.db2.gz LPPIONYTSIAXAD-GFCCVEGCSA-N 0 3 319.361 1.818 20 5 DDBDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000345840117 283002874 /nfs/dbraw/zinc/00/28/74/283002874.db2.gz HBEDFGBYRASSCU-RYUDHWBXSA-N 0 3 307.350 1.608 20 5 DDBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cncn1C ZINC000289700916 354441494 /nfs/dbraw/zinc/44/14/94/354441494.db2.gz IOZBOHKMJYSNTL-NSHDSACASA-N 0 3 317.349 1.835 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC1(C[NH3+])CC1 ZINC000404832887 354676730 /nfs/dbraw/zinc/67/67/30/354676730.db2.gz JFJPSJUGFGQFOS-UHFFFAOYSA-N 0 3 313.379 1.311 20 5 DDBDHN C[C@H]1OCC[C@@]1(C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000494281621 235014612 /nfs/dbraw/zinc/01/46/12/235014612.db2.gz GMFVBMFRWSYBIV-BDJLRTHQSA-N 0 3 319.361 1.641 20 5 DDBDHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000590561800 355114687 /nfs/dbraw/zinc/11/46/87/355114687.db2.gz GVVWGHBUWDPENZ-WDEREUQCSA-N 0 3 309.322 1.123 20 5 DDBDHN CCOc1cc(CN(CCO)CCCOC)ccc1[N+](=O)[O-] ZINC000276967351 213207166 /nfs/dbraw/zinc/20/71/66/213207166.db2.gz WGRSYZKZWCXXLS-UHFFFAOYSA-N 0 3 312.366 1.824 20 5 DDBDHN O=[N+]([O-])c1ccccc1OCCN1CCNC[C@H]1C(F)F ZINC000592488450 355597327 /nfs/dbraw/zinc/59/73/27/355597327.db2.gz NTWIYZILXYLNSO-NSHDSACASA-N 0 3 301.293 1.513 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3CN(C)C[C@@H]32)c1 ZINC000593028919 355774227 /nfs/dbraw/zinc/77/42/27/355774227.db2.gz FFXPAVAPRACXDH-DOMZBBRYSA-N 0 3 319.361 1.517 20 5 DDBDHN C[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])N1CCCC1 ZINC000593451074 355888339 /nfs/dbraw/zinc/88/83/39/355888339.db2.gz TWMVYQRTJJGIBD-NSHDSACASA-N 0 3 309.341 1.877 20 5 DDBDHN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594081522 356107813 /nfs/dbraw/zinc/10/78/13/356107813.db2.gz OFPMLORGBRPJLP-YPMHNXCESA-N 0 3 319.365 1.550 20 5 DDBDHN COc1cc(CN[C@@H](C)C2(CO)CC2)c([N+](=O)[O-])cc1OC ZINC000594967375 356365348 /nfs/dbraw/zinc/36/53/48/356365348.db2.gz XSLRAHDHIVGNPA-JTQLQIEISA-N 0 3 310.350 1.863 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000595856995 356679238 /nfs/dbraw/zinc/67/92/38/356679238.db2.gz HERBBDFSXKPMRO-XNRPHZJLSA-N 0 3 324.377 1.285 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000595826892 356666088 /nfs/dbraw/zinc/66/60/88/356666088.db2.gz AWPAMPVMNJOSFM-VNHYZAJKSA-N 0 3 322.361 1.303 20 5 DDBDHN C[C@@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H](C)O1 ZINC000347605127 283241398 /nfs/dbraw/zinc/24/13/98/283241398.db2.gz IZVHERAXFGTJPQ-VXGBXAGGSA-N 0 3 324.381 1.542 20 5 DDBDHN CC(C)(C)N1CC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000597925375 357384812 /nfs/dbraw/zinc/38/48/12/357384812.db2.gz NXYYDEWXWOKXEJ-GFCCVEGCSA-N 0 3 321.377 1.963 20 5 DDBDHN CCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000597946285 357394849 /nfs/dbraw/zinc/39/48/49/357394849.db2.gz NGJDQWGXGHFURV-CYBMUJFWSA-N 0 3 307.350 1.526 20 5 DDBDHN CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCN(C)C1 ZINC000597947460 357395869 /nfs/dbraw/zinc/39/58/69/357395869.db2.gz YTZKHVSLENYDBE-NSHDSACASA-N 0 3 317.349 1.637 20 5 DDBDHN COC(=O)c1ccnc(N2CC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000598591803 357643792 /nfs/dbraw/zinc/64/37/92/357643792.db2.gz BZRSBMSSYHLPRA-NSHDSACASA-N 0 3 320.349 1.451 20 5 DDBDHN O=[N+]([O-])c1ccc(NCCN2CC[C@@H](O)C2)cc1OC(F)F ZINC000599176020 357840617 /nfs/dbraw/zinc/84/06/17/357840617.db2.gz OKHXORDZWDOXKY-SNVBAGLBSA-N 0 3 317.292 1.675 20 5 DDBDHN COC(=O)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H]2CCC[C@@H]21 ZINC000599661223 358013588 /nfs/dbraw/zinc/01/35/88/358013588.db2.gz TVCUSCRLCKCBBO-UPJWGTAASA-N 0 3 322.365 1.455 20 5 DDBDHN COC(=O)C1C[C@@H](C)N(CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000599688681 358026054 /nfs/dbraw/zinc/02/60/54/358026054.db2.gz LLJMCMRKGCJBPJ-GHMZBOCLSA-N 0 3 310.354 1.453 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000600472130 358234073 /nfs/dbraw/zinc/23/40/73/358234073.db2.gz MXUHJTDEHMEEEZ-CYBMUJFWSA-N 0 3 321.381 1.233 20 5 DDBDHN C[C@H](O)CN1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601113000 358406729 /nfs/dbraw/zinc/40/67/29/358406729.db2.gz AOGIZRXDFQCHAN-LBPRGKRZSA-N 0 3 316.361 1.646 20 5 DDBDHN CS[C@H]1CN(c2ncc(F)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000601136257 358417101 /nfs/dbraw/zinc/41/71/01/358417101.db2.gz YWXZNAYOZWAOOT-QWRGUYRKSA-N 0 3 300.359 1.611 20 5 DDBDHN C[C@H]1OCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602768326 359176735 /nfs/dbraw/zinc/17/67/35/359176735.db2.gz UHDMBIHWGHSDAN-CHWSQXEVSA-N 0 3 306.366 1.537 20 5 DDBDHN CO[C@H]1C[C@@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])C12CCC2 ZINC000602839810 359228820 /nfs/dbraw/zinc/22/88/20/359228820.db2.gz LWLCLUUFYHDRQI-OLZOCXBDSA-N 0 3 308.382 1.989 20 5 DDBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H]3CCc4ncnn43)CC2)n1 ZINC000602819528 359214070 /nfs/dbraw/zinc/21/40/70/359214070.db2.gz SWKOOAKNOBBQGY-LBPRGKRZSA-N 0 3 317.353 1.207 20 5 DDBDHN COC(=O)C1C[C@H](C)N(CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602915310 359291690 /nfs/dbraw/zinc/29/16/90/359291690.db2.gz AIFPATSDKNWKKY-QWRGUYRKSA-N 0 3 324.381 1.762 20 5 DDBDHN CCN(C)C(=O)CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000186819164 200016341 /nfs/dbraw/zinc/01/63/41/200016341.db2.gz XTKIYLVWCGZPOS-CQSZACIVSA-N 0 3 305.378 1.984 20 5 DDBDHN O=[N+]([O-])c1cc2c(nc1NC[C@H]1CSCCN1)CCCC2 ZINC000603417796 359627266 /nfs/dbraw/zinc/62/72/66/359627266.db2.gz BJSRBBZEKVUEEU-NSHDSACASA-N 0 3 308.407 1.986 20 5 DDBDHN CNC(=O)c1ccc(NC[C@H]2CSCCN2)c([N+](=O)[O-])c1 ZINC000603418226 359628747 /nfs/dbraw/zinc/62/87/47/359628747.db2.gz DPYOESAPKJCWIX-JTQLQIEISA-N 0 3 310.379 1.071 20 5 DDBDHN COc1cc(C(=O)NC2(CN(C)C)CCC2)ccc1[N+](=O)[O-] ZINC000281066975 216055586 /nfs/dbraw/zinc/05/55/86/216055586.db2.gz MGXMHUOSKMHSFX-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN CN1CCC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000604546962 359763881 /nfs/dbraw/zinc/76/38/81/359763881.db2.gz NQVAYVQBWIFMED-SNVBAGLBSA-N 0 3 302.334 1.900 20 5 DDBDHN CN(C)CCn1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000610227462 360393301 /nfs/dbraw/zinc/39/33/01/360393301.db2.gz VDIQMCPUIUHSNF-UHFFFAOYSA-N 0 3 317.349 1.534 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000193257774 201014333 /nfs/dbraw/zinc/01/43/33/201014333.db2.gz LDNSEDYJGHPOKY-NSHDSACASA-N 0 3 313.379 1.242 20 5 DDBDHN Cc1cc([C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)o1 ZINC000195269195 201370011 /nfs/dbraw/zinc/37/00/11/201370011.db2.gz OVUOJSOKKALNDF-GWCFXTLKSA-N 0 3 308.338 1.713 20 5 DDBDHN CCc1n[nH]c(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000275067544 212102512 /nfs/dbraw/zinc/10/25/12/212102512.db2.gz AHXMBWQYVPLIHR-KOLCDFICSA-N 0 3 309.370 1.293 20 5 DDBDHN CCc1[nH]nc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000275067544 212102514 /nfs/dbraw/zinc/10/25/14/212102514.db2.gz AHXMBWQYVPLIHR-KOLCDFICSA-N 0 3 309.370 1.293 20 5 DDBDHN CCOC(=O)[C@@](C)(O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282509848 217050146 /nfs/dbraw/zinc/05/01/46/217050146.db2.gz RTWNBKWZTNGVGN-HNNXBMFYSA-N 0 3 310.350 1.383 20 5 DDBDHN COCCN(C)CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000061378383 184169638 /nfs/dbraw/zinc/16/96/38/184169638.db2.gz CAXCRUWGNLUDBP-UHFFFAOYSA-N 0 3 301.774 1.916 20 5 DDBDHN CN(C)C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000116798135 194772971 /nfs/dbraw/zinc/77/29/71/194772971.db2.gz RUSADUNWBDLOBQ-LQYUOIDQSA-N 0 3 319.361 1.397 20 5 DDBDHN COCCOC1(CNCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000294859868 224270359 /nfs/dbraw/zinc/27/03/59/224270359.db2.gz SWWBFAUOAKNFEN-UHFFFAOYSA-N 0 3 324.377 1.897 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCN(CCCO)C1 ZINC000295022888 224385622 /nfs/dbraw/zinc/38/56/22/224385622.db2.gz CLCBIWRQMZBRJT-HNNXBMFYSA-N 0 3 307.394 1.840 20 5 DDBDHN CO[C@@H]1COC[C@@H]1N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000459758298 533523047 /nfs/dbraw/zinc/52/30/47/533523047.db2.gz PSZHKZCGNBMOKY-DDTOSNHZSA-N 0 3 323.349 1.315 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000068203038 406623472 /nfs/dbraw/zinc/62/34/72/406623472.db2.gz UJBDVVJBXVMRNI-NWDGAFQWSA-N 0 3 323.397 1.336 20 5 DDBDHN COc1ccc(CNCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000038048330 406999748 /nfs/dbraw/zinc/99/97/48/406999748.db2.gz IAADOTRNBQYZIH-UHFFFAOYSA-N 0 3 302.352 1.128 20 5 DDBDHN CC[C@@H]1CCCCN1CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000113196892 407474258 /nfs/dbraw/zinc/47/42/58/407474258.db2.gz XEXCATKZZGNSFQ-GFCCVEGCSA-N 0 3 323.397 1.631 20 5 DDBDHN NC(=O)CC[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000170731159 407483063 /nfs/dbraw/zinc/48/30/63/407483063.db2.gz JLQIOGVKYFKFOT-ZDUSSCGKSA-N 0 3 321.377 1.951 20 5 DDBDHN Cc1nn(CCC(=O)NCCN2CCCC2)c(C)c1[N+](=O)[O-] ZINC000171099325 407597213 /nfs/dbraw/zinc/59/72/13/407597213.db2.gz WMYCZPRTGCYUKR-UHFFFAOYSA-N 0 3 309.370 1.010 20 5 DDBDHN Cn1c(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)ccc1[N+](=O)[O-] ZINC000262213419 407767613 /nfs/dbraw/zinc/76/76/13/407767613.db2.gz LTWMUWLYWZICJA-QWHCGFSZSA-N 0 3 314.345 1.500 20 5 DDBDHN CN(CCCN1CCN(C)CC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000174729880 407982674 /nfs/dbraw/zinc/98/26/74/407982674.db2.gz WSVLPAGDAFIWMJ-UHFFFAOYSA-N 0 3 324.400 1.803 20 5 DDBDHN CC(C)N1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182206808 408094014 /nfs/dbraw/zinc/09/40/14/408094014.db2.gz QYMVZDBYNQHBEN-AWEZNQCLSA-N 0 3 323.393 1.361 20 5 DDBDHN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000273425651 408193822 /nfs/dbraw/zinc/19/38/22/408193822.db2.gz WKXCVILJHWMMLV-DGCLKSJQSA-N 0 3 320.349 1.419 20 5 DDBDHN C[C@H]1CC(O)C[C@H](C)N1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000191190304 408383966 /nfs/dbraw/zinc/38/39/66/408383966.db2.gz ARTFGOJESFOSBV-OBJOEFQTSA-N 0 3 324.377 1.568 20 5 DDBDHN C[C@H](O)CN1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000247377978 408459349 /nfs/dbraw/zinc/45/93/49/408459349.db2.gz VOFRVNBOCMZUAN-KGLIPLIRSA-N 0 3 307.394 1.524 20 5 DDBDHN CCN1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176612728 408404228 /nfs/dbraw/zinc/40/42/28/408404228.db2.gz AKEUCSWDNHJMHS-NSHDSACASA-N 0 3 306.366 1.781 20 5 DDBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000264219545 408409303 /nfs/dbraw/zinc/40/93/03/408409303.db2.gz VREHGSFMGKBAQU-UHFFFAOYSA-N 0 3 315.395 1.615 20 5 DDBDHN Cc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000160312014 408470130 /nfs/dbraw/zinc/47/01/30/408470130.db2.gz BCNQLKJUZSUPMB-CQSZACIVSA-N 0 3 321.377 1.480 20 5 DDBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000270518193 408560254 /nfs/dbraw/zinc/56/02/54/408560254.db2.gz SHGLMNZYYQTNOH-STQMWFEESA-N 0 3 309.391 1.712 20 5 DDBDHN CCN1CCN(C[C@@H](C)CNc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265188575 408573297 /nfs/dbraw/zinc/57/32/97/408573297.db2.gz KFGYOVYWWKQZHJ-ZDUSSCGKSA-N 0 3 321.425 1.984 20 5 DDBDHN CCN(CCO)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000184544036 408640785 /nfs/dbraw/zinc/64/07/85/408640785.db2.gz PPCUTFMEGSDKDW-UHFFFAOYSA-N 0 3 301.774 1.652 20 5 DDBDHN C[C@@H](O)CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000192820570 408656576 /nfs/dbraw/zinc/65/65/76/408656576.db2.gz HFDYUOJMAWLYAP-ZIAGYGMSSA-N 0 3 323.393 1.361 20 5 DDBDHN CN(C[C@@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000292080319 408976074 /nfs/dbraw/zinc/97/60/74/408976074.db2.gz FOFQSUXVXIFLNR-ZDUSSCGKSA-N 0 3 307.394 1.875 20 5 DDBDHN C[C@@H](NCCN1CCOCC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284115879 409277862 /nfs/dbraw/zinc/27/78/62/409277862.db2.gz NNSOWJVKYUMNNH-GFCCVEGCSA-N 0 3 322.409 1.938 20 5 DDBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285240757 409404930 /nfs/dbraw/zinc/40/49/30/409404930.db2.gz YTCZNHNAMAGKDY-GMTAPVOTSA-N 0 3 309.370 1.414 20 5 DDBDHN C[C@H](NCCN1CCC(O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296044767 409411597 /nfs/dbraw/zinc/41/15/97/409411597.db2.gz UQTJJBMHZVJXME-NSHDSACASA-N 0 3 308.382 1.284 20 5 DDBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295307461 409424057 /nfs/dbraw/zinc/42/40/57/409424057.db2.gz FSZXYKGUUZMDTI-CVEARBPZSA-N 0 3 321.377 1.379 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CCCC[NH3+] ZINC000313917744 164012486 /nfs/dbraw/zinc/01/24/86/164012486.db2.gz AHUVCSPQYHLSNE-NSHDSACASA-N 0 3 315.395 1.699 20 5 DDBDHN CNc1c(C(=O)NC[C@@H](C)N(C)C2CC2)cccc1[N+](=O)[O-] ZINC000318614215 164032828 /nfs/dbraw/zinc/03/28/28/164032828.db2.gz JBPICLVSDFZJQV-SNVBAGLBSA-N 0 3 306.366 1.849 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(CCO)CCN(C)CC1 ZINC000354151150 409698696 /nfs/dbraw/zinc/69/86/96/409698696.db2.gz WESAYLRRVGWRLQ-UHFFFAOYSA-N 0 3 321.377 1.480 20 5 DDBDHN Cn1cncc1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331668207 409749723 /nfs/dbraw/zinc/74/97/23/409749723.db2.gz UECADFFZUDNNAJ-OLZOCXBDSA-N 0 3 304.354 1.798 20 5 DDBDHN Cc1nccn1CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000342604859 409760479 /nfs/dbraw/zinc/76/04/79/409760479.db2.gz FXKTZMKAVIHLED-ZDUSSCGKSA-N 0 3 316.365 1.681 20 5 DDBDHN CN1CCC[C@]2(CCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)C1 ZINC000297883129 410037581 /nfs/dbraw/zinc/03/75/81/410037581.db2.gz VYUGSGFDBIFBLQ-HNNXBMFYSA-N 0 3 319.365 1.939 20 5 DDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCN(C)CC1 ZINC000298628173 410321857 /nfs/dbraw/zinc/32/18/57/410321857.db2.gz GUCYLDYTFBQEOG-GFCCVEGCSA-N 0 3 306.366 1.559 20 5 DDBDHN C[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000343415857 410432286 /nfs/dbraw/zinc/43/22/86/410432286.db2.gz LPVLZNPDNXGZJM-UMVBOHGHSA-N 0 3 324.377 1.427 20 5 DDBDHN CCCN1CCC[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000343583283 410551771 /nfs/dbraw/zinc/55/17/71/410551771.db2.gz YGRYMVDBIFJLKQ-ZDUSSCGKSA-N 0 3 321.377 1.964 20 5 DDBDHN C[C@@H]1[C@@H](C)N(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000343719438 410643301 /nfs/dbraw/zinc/64/33/01/410643301.db2.gz CZLLPQJUQRXBKB-MCIONIFRSA-N 0 3 323.393 1.359 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@H](O)CN1CCC(C)CC1 ZINC000301552007 410746001 /nfs/dbraw/zinc/74/60/01/410746001.db2.gz QTWSUFVOXZSBSF-AWEZNQCLSA-N 0 3 308.382 1.803 20 5 DDBDHN C[C@H]1CCCCN1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301947445 410837134 /nfs/dbraw/zinc/83/71/34/410837134.db2.gz YALMSGCNRAFHPW-NSHDSACASA-N 0 3 304.354 1.924 20 5 DDBDHN CCCN1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000343952820 410844590 /nfs/dbraw/zinc/84/45/90/410844590.db2.gz BQQWCTUQONNCHW-JTQLQIEISA-N 0 3 307.354 1.375 20 5 DDBDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1c([N+](=O)[O-])ncn1C ZINC000330663986 410858314 /nfs/dbraw/zinc/85/83/14/410858314.db2.gz FPKRQKBJCQYOQA-QMTHXVAHSA-N 0 3 310.354 1.540 20 5 DDBDHN C[C@H]1CN(C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000330667351 410863937 /nfs/dbraw/zinc/86/39/37/410863937.db2.gz IUQOJZKRNTXDDC-LBPRGKRZSA-N 0 3 306.366 1.559 20 5 DDBDHN COC(=O)c1cnc(N2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000302792264 410866275 /nfs/dbraw/zinc/86/62/75/410866275.db2.gz ZJJZUQNRHIJLJV-GFCCVEGCSA-N 0 3 320.349 1.451 20 5 DDBDHN C[C@@H](NCCCS(=O)(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000341581489 411048770 /nfs/dbraw/zinc/04/87/70/411048770.db2.gz AMODLUHBMNQIKF-LLVKDONJSA-N 0 3 315.395 1.527 20 5 DDBDHN CCN(C)CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353494857 411031143 /nfs/dbraw/zinc/03/11/43/411031143.db2.gz GHELZFQKHSRGEV-HNNXBMFYSA-N 0 3 317.393 1.959 20 5 DDBDHN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])[C@H](C)CN1CCO ZINC000419335000 226121979 /nfs/dbraw/zinc/12/19/79/226121979.db2.gz VYAZMLAXPPUEJS-ZIAGYGMSSA-N 0 3 323.393 1.361 20 5 DDBDHN Cc1ccc(NC(=O)C(=O)NCC2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000419816163 226382538 /nfs/dbraw/zinc/38/25/38/226382538.db2.gz QFQNKAHUSYXUFR-UHFFFAOYSA-N 0 3 320.349 1.052 20 5 DDBDHN CON1CCC(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000421205143 226681634 /nfs/dbraw/zinc/68/16/34/226681634.db2.gz GSPIFLSQICMMNO-LLVKDONJSA-N 0 3 322.365 1.537 20 5 DDBDHN CON1CCC(N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000421209700 226682062 /nfs/dbraw/zinc/68/20/62/226682062.db2.gz OVVCUGBBZPYYBS-LLVKDONJSA-N 0 3 322.365 1.537 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375025228 418590482 /nfs/dbraw/zinc/59/04/82/418590482.db2.gz YNFVPYGAQJSDTH-UKRRQHHQSA-N 0 3 318.377 1.830 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000368138689 418695434 /nfs/dbraw/zinc/69/54/34/418695434.db2.gz KJLVTPWBKGNQCR-AWEZNQCLSA-N 0 3 301.350 1.751 20 5 DDBDHN Cc1ccc([C@@H](C)NC(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000417853382 419354686 /nfs/dbraw/zinc/35/46/86/419354686.db2.gz PBLGWIDMXPMHOP-GFCCVEGCSA-N 0 3 306.366 1.969 20 5 DDBDHN CC(=O)N[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000420961016 419388409 /nfs/dbraw/zinc/38/84/09/419388409.db2.gz SCKCXUKQBYWHBT-GFCCVEGCSA-N 0 3 320.349 1.134 20 5 DDBDHN Cc1ccc(CN2C[C@@H](C)N(CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000418112745 419541242 /nfs/dbraw/zinc/54/12/42/419541242.db2.gz LNOXLYBBJPMREP-KGLIPLIRSA-N 0 3 307.394 1.790 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](CO)[C@H]1CCCOC1 ZINC000411991889 419548228 /nfs/dbraw/zinc/54/82/28/419548228.db2.gz YMMBJGMKIQLKSO-FZMZJTMJSA-N 0 3 310.350 1.481 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(CC)[C@H](C)C2)n1 ZINC000427844434 419750541 /nfs/dbraw/zinc/75/05/41/419750541.db2.gz CUKBEFAKMNOQFE-VXGBXAGGSA-N 0 3 323.397 1.756 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1CN(C)C1(CCO)CCOCC1 ZINC000430226462 420092001 /nfs/dbraw/zinc/09/20/01/420092001.db2.gz MWJQDAJJQUMGRK-UHFFFAOYSA-N 0 3 324.377 1.967 20 5 DDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCNC[C@@](C)(F)C1 ZINC000420330691 420215363 /nfs/dbraw/zinc/21/53/63/420215363.db2.gz LNYSJIQWYPUKCL-XHDPSFHLSA-N 0 3 324.356 1.555 20 5 DDBDHN C[C@@]1(F)CNCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000420336905 420218592 /nfs/dbraw/zinc/21/85/92/420218592.db2.gz QLOBWFSUOADVTC-OAHLLOKOSA-N 0 3 324.356 1.557 20 5 DDBDHN Cc1nn(CCC(=O)NCC2(N(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000416300956 420318826 /nfs/dbraw/zinc/31/88/26/420318826.db2.gz KBHUCKWVCKZFLC-UHFFFAOYSA-N 0 3 309.370 1.009 20 5 DDBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC1CCN(C2CC2)CC1 ZINC000420582924 420322802 /nfs/dbraw/zinc/32/28/02/420322802.db2.gz ICVWWKQMXJSSQC-UHFFFAOYSA-N 0 3 304.350 1.732 20 5 DDBDHN CN(C[C@@H]1CCCN1C)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000420636991 420337307 /nfs/dbraw/zinc/33/73/07/420337307.db2.gz OCPSXSXTIOJVFG-NSHDSACASA-N 0 3 317.349 1.774 20 5 DDBDHN CN(C[C@H]1CCCN1C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000420824937 420404725 /nfs/dbraw/zinc/40/47/25/420404725.db2.gz YDDUSOHYZVWGMI-OAHLLOKOSA-N 0 3 320.393 1.873 20 5 DDBDHN CN(C)CCOCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000492339244 420527940 /nfs/dbraw/zinc/52/79/40/420527940.db2.gz OBIIFSQVVUBHGO-VOTSOKGWSA-N 0 3 307.350 1.302 20 5 DDBDHN CNC(=O)c1ccc(N(C)[C@@H]2CCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000450947098 420566502 /nfs/dbraw/zinc/56/65/02/420566502.db2.gz BALUAASOQXGORI-CYBMUJFWSA-N 0 3 320.393 1.873 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454143551 420805439 /nfs/dbraw/zinc/80/54/39/420805439.db2.gz ZQWKUWDICWHXSL-GXFFZTMASA-N 0 3 320.349 1.771 20 5 DDBDHN CCN(C)CCNc1c2ccc(OC)cc2ncc1[N+](=O)[O-] ZINC000450277213 421176591 /nfs/dbraw/zinc/17/65/91/421176591.db2.gz LAKDGWCKXONNDE-UHFFFAOYSA-N 0 3 304.350 1.937 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516379332 421542977 /nfs/dbraw/zinc/54/29/77/421542977.db2.gz IAYHNTOFSBYVOH-SNVBAGLBSA-N 0 3 321.333 1.538 20 5 DDBDHN Cc1cc(OCC(=O)NC[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000582218202 422129932 /nfs/dbraw/zinc/12/99/32/422129932.db2.gz HRTDYUAZAPNKJI-ZDUSSCGKSA-N 0 3 321.377 1.740 20 5 DDBDHN COC(C)(C)CN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574940145 422220895 /nfs/dbraw/zinc/22/08/95/422220895.db2.gz WPKWGEVLDLEISV-LBPRGKRZSA-N 0 3 312.366 1.691 20 5 DDBDHN CN(C)[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1ccccc1 ZINC000590569700 422320529 /nfs/dbraw/zinc/32/05/29/422320529.db2.gz NUZNAFHXPDDDHD-CYBMUJFWSA-N 0 3 301.350 2.287 20 5 DDBDHN CC(C)OCCN1CCC(Nc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590584036 422320799 /nfs/dbraw/zinc/32/07/99/422320799.db2.gz KEEFZWNTZSBHOG-UHFFFAOYSA-N 0 3 323.397 1.873 20 5 DDBDHN C[C@H](CS(C)(=O)=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000341682235 271168241 /nfs/dbraw/zinc/16/82/41/271168241.db2.gz IEOMAECYFJPBAJ-GFCCVEGCSA-N 0 3 314.407 1.940 20 5 DDBDHN CCS(=O)(=O)C[C@H](C)NCCc1cccc([N+](=O)[O-])c1 ZINC000341907274 271243836 /nfs/dbraw/zinc/24/38/36/271243836.db2.gz NJLYVQWNQGJHNC-NSHDSACASA-N 0 3 300.380 1.550 20 5 DDBDHN CN(C)C(=O)CCN1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000344425785 272023278 /nfs/dbraw/zinc/02/32/78/272023278.db2.gz WIJRCVNMEVFFGX-UHFFFAOYSA-N 0 3 321.381 1.344 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCC(CN3CCOCC3)CC2)cn1 ZINC000344426295 272023578 /nfs/dbraw/zinc/02/35/78/272023578.db2.gz XIOUKAHQGJTXBY-UHFFFAOYSA-N 0 3 306.366 1.538 20 5 DDBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCN1CCCC1 ZINC000344824383 272125103 /nfs/dbraw/zinc/12/51/03/272125103.db2.gz ZRZLGAMEJBSELQ-UHFFFAOYSA-N 0 3 316.361 1.762 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](N)CC(F)F ZINC000345727795 272316034 /nfs/dbraw/zinc/31/60/34/272316034.db2.gz VCIRZIYQNIFATB-VIFPVBQESA-N 0 3 303.265 1.202 20 5 DDBDHN CN1CCC[C@@]2(CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])C2)C1 ZINC000292707590 277073008 /nfs/dbraw/zinc/07/30/08/277073008.db2.gz GNGHZQNMWICZQI-OAHLLOKOSA-N 0 3 319.365 1.011 20 5 DDBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000247318444 277181493 /nfs/dbraw/zinc/18/14/93/277181493.db2.gz SCUBNYFGNCYQMZ-JSGCOSHPSA-N 0 3 321.381 1.124 20 5 DDBDHN CNCCN(C)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000420442397 277270666 /nfs/dbraw/zinc/27/06/66/277270666.db2.gz XCWIKYPRFLHDSG-UHFFFAOYSA-N 0 3 301.368 1.052 20 5 DDBDHN C[C@@H](NCCn1cccn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000112548111 278348943 /nfs/dbraw/zinc/34/89/43/278348943.db2.gz HUSXMUNKXZZOBY-LLVKDONJSA-N 0 3 303.322 1.408 20 5 DDBDHN O=[N+]([O-])c1ccc(CN(C[C@@H](O)Cn2cccn2)C2CC2)cc1 ZINC000179520980 280363545 /nfs/dbraw/zinc/36/35/45/280363545.db2.gz XRDTZRGJCRKCEC-MRXNPFEDSA-N 0 3 316.361 1.817 20 5 DDBDHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000125399945 281190680 /nfs/dbraw/zinc/19/06/80/281190680.db2.gz DHDIXYGCFMVVKX-WDEREUQCSA-N 0 3 307.354 1.027 20 5 DDBDHN CN(C)CCn1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000125878650 281219167 /nfs/dbraw/zinc/21/91/67/281219167.db2.gz BCXQZGZKWMDUDI-UHFFFAOYSA-N 0 3 321.312 1.744 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000324095742 298262295 /nfs/dbraw/zinc/26/22/95/298262295.db2.gz CKCNOWSLTAEMIO-UONOGXRCSA-N 0 3 314.345 1.500 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC(n3cc(Cl)cn3)CC2)n1 ZINC000367916813 300910812 /nfs/dbraw/zinc/91/08/12/300910812.db2.gz JXAXPROFEGMHLW-UHFFFAOYSA-N 0 3 324.772 1.978 20 5 DDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000515320428 302772145 /nfs/dbraw/zinc/77/21/45/302772145.db2.gz OWPDMEDIBZKLMK-DGCLKSJQSA-N 0 3 306.366 1.632 20 5 DDBDHN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])nn2C)c(CN(C)C)c1 ZINC000356637679 306858584 /nfs/dbraw/zinc/85/85/84/306858584.db2.gz TZSAREUATBIBQP-UHFFFAOYSA-N 0 3 317.349 1.951 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366304605 307070471 /nfs/dbraw/zinc/07/04/71/307070471.db2.gz ANBYSSWQTDZQJO-JKOKRWQUSA-N 0 3 317.345 1.559 20 5 DDBDHN O=C1NCC[C@H]1CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000575192653 308273368 /nfs/dbraw/zinc/27/33/68/308273368.db2.gz JMIKJCRHCFVURF-NWDGAFQWSA-N 0 3 319.365 1.002 20 5 DDBDHN COc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000576058876 308286920 /nfs/dbraw/zinc/28/69/20/308286920.db2.gz FAGKTEWPLLORNV-UHFFFAOYSA-N 0 3 319.321 1.640 20 5 DDBDHN CN(C)C[C@@H](O)CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000584118270 331835735 /nfs/dbraw/zinc/83/57/35/331835735.db2.gz PHKUMBRGCQCDAC-NWDGAFQWSA-N 0 3 321.299 1.710 20 5 DDBDHN Cc1nn(C)c(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488736626 484216668 /nfs/dbraw/zinc/21/66/68/484216668.db2.gz VIZKZPOXXSEUNP-GMXVVIOVSA-N 0 3 307.398 1.803 20 5 DDBDHN CCN1CC[C@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000357540309 484508927 /nfs/dbraw/zinc/50/89/27/484508927.db2.gz XBOUCIATZSDQAZ-MNOVXSKESA-N 0 3 321.381 1.398 20 5 DDBDHN COCCN1CC[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000264557242 490711158 /nfs/dbraw/zinc/71/11/58/490711158.db2.gz DTSVVXDZCKWFNA-SECBINFHSA-N 0 3 311.367 1.437 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCC(O)(c3ccccc3)CC2)c1 ZINC000185483980 501083082 /nfs/dbraw/zinc/08/30/82/501083082.db2.gz DIWPRGHTGZCHNY-UHFFFAOYSA-N 0 3 316.361 1.775 20 5 DDBDHN COc1ccc(NC(=O)CN[C@]2(C)CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000494242320 534083734 /nfs/dbraw/zinc/08/37/34/534083734.db2.gz RMXAXPQPAWAFPW-ZUZCIYMTSA-N 0 3 323.349 1.699 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCN(CC3CC3)CC2)cc1 ZINC000776277382 698090912 /nfs/dbraw/zinc/09/09/12/698090912.db2.gz NUVQVLUCSWBIET-MRXNPFEDSA-N 0 3 305.378 1.656 20 5 DDBDHN COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000787328290 699206290 /nfs/dbraw/zinc/20/62/90/699206290.db2.gz QKQBRDZKFRECBF-GDLCADMTSA-N 0 3 308.334 1.512 20 5 DDBDHN CC(C)(NC[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000796583598 699940762 /nfs/dbraw/zinc/94/07/62/699940762.db2.gz WWYPMGXVHAPXOL-CQSZACIVSA-N 0 3 321.377 1.619 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)[C@@H](C)C1 ZINC000761072090 700838989 /nfs/dbraw/zinc/83/89/89/700838989.db2.gz DPSALZQHGCTENT-ZDUSSCGKSA-N 0 3 320.393 1.868 20 5 DDBDHN O=C(CN[C@H](CO)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000763069418 700923904 /nfs/dbraw/zinc/92/39/04/700923904.db2.gz OPFJADFVXNJETL-GFCCVEGCSA-N 0 3 313.741 1.547 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCN2CCC[C@H]2C)n1 ZINC000804520670 701197258 /nfs/dbraw/zinc/19/72/58/701197258.db2.gz HMIGSVRXFSOQEZ-SNVBAGLBSA-N 0 3 308.338 1.673 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c(N)c([N+](=O)[O-])c1 ZINC000816949337 702233002 /nfs/dbraw/zinc/23/30/02/702233002.db2.gz TUIPTCMYZSUVIR-ZWNOBZJWSA-N 0 3 304.350 1.262 20 5 DDBDHN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813101727 702290835 /nfs/dbraw/zinc/29/08/35/702290835.db2.gz HSPSUCVCHWJRAN-ZETCQYMHSA-N 0 3 323.271 1.813 20 5 DDBDHN CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813103451 702291809 /nfs/dbraw/zinc/29/18/09/702291809.db2.gz AYMPNAQXRWBKFK-ZYHUDNBSSA-N 0 3 309.322 1.044 20 5 DDBDHN CC(COC(=O)c1cccc(OCC(F)(F)F)n1)[N+](=O)[O-] ZINC000813103436 702292138 /nfs/dbraw/zinc/29/21/38/702292138.db2.gz ALMAACGHQLCCSB-ZETCQYMHSA-N 0 3 308.212 1.845 20 5 DDBDHN CC(COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[N+](=O)[O-] ZINC000813103969 702292291 /nfs/dbraw/zinc/29/22/91/702292291.db2.gz VIDQJNVAVCSFQG-VIFPVBQESA-N 0 3 307.262 1.758 20 5 DDBDHN CC(COC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1)[N+](=O)[O-] ZINC000813104876 702292794 /nfs/dbraw/zinc/29/27/94/702292794.db2.gz SMWOJGIPQBSEQR-MLGOLLRUSA-N 0 3 320.345 1.890 20 5 DDBDHN CC(=O)N[C@@H](CC(=O)OCC(C)[N+](=O)[O-])c1ccc(C)cc1 ZINC000813108429 702295144 /nfs/dbraw/zinc/29/51/44/702295144.db2.gz FTTZVNQVEOIMRM-RISCZKNCSA-N 0 3 308.334 1.771 20 5 DDBDHN COc1ccc(-c2n[nH]cc2C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110312 702296163 /nfs/dbraw/zinc/29/61/63/702296163.db2.gz XHIXXTUTLYXGQP-VIFPVBQESA-N 0 3 305.290 1.907 20 5 DDBDHN CC([C@H](OC(=O)c1cnnn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845876241 703211411 /nfs/dbraw/zinc/21/14/11/703211411.db2.gz BRJWDZFRWJHGMO-PELKAZGASA-N 0 3 308.269 1.518 20 5 DDBDHN CC([C@H](OC(=O)[C@@H]1CCC(=O)N1C)c1ccccc1F)[N+](=O)[O-] ZINC000845881856 703212009 /nfs/dbraw/zinc/21/20/09/703212009.db2.gz MMZRXQKZRJGRND-LQJRIPTKSA-N 0 3 324.308 1.696 20 5 DDBDHN C[C@H](C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000848580809 703565073 /nfs/dbraw/zinc/56/50/73/703565073.db2.gz FKCLTRLOWVOULG-SECBINFHSA-N 0 3 317.292 1.633 20 5 DDBDHN CO[C@]1(CO)CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852410509 704036716 /nfs/dbraw/zinc/03/67/16/704036716.db2.gz CDPYSWPJECBZCH-HUUCEWRRSA-N 0 3 310.350 1.102 20 5 DDBDHN CCO[C@@H]1C[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1OC ZINC000819226939 704090343 /nfs/dbraw/zinc/09/03/43/704090343.db2.gz MANXAJQGPYJHHC-BYNSBNAKSA-N 0 3 310.350 1.410 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000821955461 704847819 /nfs/dbraw/zinc/84/78/19/704847819.db2.gz RFDCLAXUZKKRFA-HNNXBMFYSA-N 0 3 307.350 1.008 20 5 DDBDHN CC(C)[C@H]1CN(C)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823179374 705163304 /nfs/dbraw/zinc/16/33/04/705163304.db2.gz MMGGOYZBLMYHMD-HZPDHXFCSA-N 0 3 307.394 1.900 20 5 DDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000874827728 705186113 /nfs/dbraw/zinc/18/61/13/705186113.db2.gz SWYYQWWTDQFOBI-KFWWJZLASA-N 0 3 319.361 1.323 20 5 DDBDHN CC(COC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1)[N+](=O)[O-] ZINC000860776149 705279578 /nfs/dbraw/zinc/27/95/78/705279578.db2.gz CCGVBWXJZCBYPJ-WCQYABFASA-N 0 3 306.318 1.357 20 5 DDBDHN CCN1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825791307 705731373 /nfs/dbraw/zinc/73/13/73/705731373.db2.gz GDNNAJGYBRMXJC-AWEZNQCLSA-N 0 3 307.350 1.182 20 5 DDBDHN CN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000825844531 705736238 /nfs/dbraw/zinc/73/62/38/705736238.db2.gz MCYCXIWNSHGNLL-LSDHHAIUSA-N 0 3 319.361 1.323 20 5 DDBDHN CCN1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000827507671 706016678 /nfs/dbraw/zinc/01/66/78/706016678.db2.gz YRTPVPANXXLJOM-UHFFFAOYSA-N 0 3 324.356 1.101 20 5 DDBDHN Cc1c(CN2CN(CCN(C)C)C(=O)[C@H]2C)cccc1[N+](=O)[O-] ZINC000877606879 706157579 /nfs/dbraw/zinc/15/75/79/706157579.db2.gz NQXYDWDPELCWBL-CYBMUJFWSA-N 0 3 320.393 1.455 20 5 DDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000865057859 706338017 /nfs/dbraw/zinc/33/80/17/706338017.db2.gz FXDTVXVYTQFIDS-MNOVXSKESA-N 0 3 323.324 1.327 20 5 DDBDHN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000830292905 706491469 /nfs/dbraw/zinc/49/14/69/706491469.db2.gz UENYDHHNEJPHFK-OAGGEKHMSA-N 0 3 321.377 1.033 20 5 DDBDHN Cc1cnc(N2CC[C@H]3[C@@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC000897221611 708259368 /nfs/dbraw/zinc/25/93/68/708259368.db2.gz NSDXAKLRZJVJLE-STQMWFEESA-N 0 3 306.366 1.334 20 5 DDBDHN COc1cccc(N2CC[C@H]3[C@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC000897222343 708259854 /nfs/dbraw/zinc/25/98/54/708259854.db2.gz UQGGXSVURIMMGA-QWHCGFSZSA-N 0 3 321.377 1.639 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CCN(C)CCO ZINC000912607160 713046544 /nfs/dbraw/zinc/04/65/44/713046544.db2.gz CTXBBYRMYPNHIO-UHFFFAOYSA-N 0 3 323.393 1.516 20 5 DDBDHN CN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(C)C1 ZINC000892419061 710434168 /nfs/dbraw/zinc/43/41/68/710434168.db2.gz YNBSXOWWPRHVPY-CQSZACIVSA-N 0 3 306.366 1.830 20 5 DDBDHN C[C@H]1[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN1C ZINC000928456454 713205000 /nfs/dbraw/zinc/20/50/00/713205000.db2.gz RPLYOWIDVQDINW-GXFFZTMASA-N 0 3 318.377 1.992 20 5 DDBDHN COc1c(O)ccc(CN2CCN(C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000893669908 710770370 /nfs/dbraw/zinc/77/03/70/710770370.db2.gz XCLBNAQVRRRBRM-QWRGUYRKSA-N 0 3 309.366 1.833 20 5 DDBDHN CCN(CC)CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911475827 710813956 /nfs/dbraw/zinc/81/39/56/710813956.db2.gz KPOFNEJPXDHVMM-UHFFFAOYSA-N 0 3 301.293 1.831 20 5 DDBDHN CNC(=O)c1ccc(N2CC[C@H]3CN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000893941489 710894219 /nfs/dbraw/zinc/89/42/19/710894219.db2.gz SDWBHYGDQJPRLP-FZMZJTMJSA-N 0 3 304.350 1.095 20 5 DDBDHN O=[N+]([O-])CCNC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000905362923 712015875 /nfs/dbraw/zinc/01/58/75/712015875.db2.gz BRIUDYJQQCJQIG-LLVKDONJSA-N 0 3 322.283 1.603 20 5 DDBDHN CN(C)c1ccnc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000905526211 712065393 /nfs/dbraw/zinc/06/53/93/712065393.db2.gz UQWYWQSHSRCKLT-INIZCTEOSA-N 0 3 316.361 1.879 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CCN1C ZINC000920599394 713682106 /nfs/dbraw/zinc/68/21/06/713682106.db2.gz TUYFZWKSOOISLL-YPMHNXCESA-N 0 3 306.366 1.529 20 5 DDBDHN O=[N+]([O-])c1cccc(CNC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000922852184 714166313 /nfs/dbraw/zinc/16/63/13/714166313.db2.gz PVJCKKAZUVWWKE-QXMXGUDHSA-N 0 3 310.375 1.793 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H](O)c1ccnn1C ZINC000922975666 714202120 /nfs/dbraw/zinc/20/21/20/714202120.db2.gz WNBISQYFWBVVRD-OAHLLOKOSA-N 0 3 304.350 1.768 20 5 DDBDHN COc1ccc(CN[C@@H]2C[C@H](O)C23CCOCC3)cc1[N+](=O)[O-] ZINC000923022270 714216680 /nfs/dbraw/zinc/21/66/80/714216680.db2.gz YKWVUXIMDXIEHQ-CABCVRRESA-N 0 3 322.361 1.623 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C[C@H]1CCC(=O)N1 ZINC000924956014 714707555 /nfs/dbraw/zinc/70/75/55/714707555.db2.gz WWTUFWRQZMCUEO-CMPLNLGQSA-N 0 3 307.350 1.750 20 5 DDBDHN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934260296 714778513 /nfs/dbraw/zinc/77/85/13/714778513.db2.gz WDBIAULKMYMJLT-HOTGVXAUSA-N 0 3 323.368 1.765 20 5 DDBDHN C[C@H](Nc1ncc2cccc([N+](=O)[O-])c2n1)[C@H]1CNCCO1 ZINC001170566656 768172478 /nfs/dbraw/zinc/17/24/78/768172478.db2.gz AXNLIHASULEWHD-JOYOIKCWSA-N 0 3 303.322 1.327 20 5 DDBDHN C[C@@H](Nc1ccc([N+](=O)[O-])c2c1CCN(C)C2)[C@@H]1CNCCO1 ZINC001170577367 768264080 /nfs/dbraw/zinc/26/40/80/768264080.db2.gz ZFFNTXJYUKMEBX-BZNIZROVSA-N 0 3 320.393 1.372 20 5 DDBDHN CCOC(=O)C1=C(Nc2cc([N+](=O)[O-])cnc2OC)CCNC1 ZINC001170516690 767741567 /nfs/dbraw/zinc/74/15/67/767741567.db2.gz UKEIZEFQJBQIPK-UHFFFAOYSA-N 0 3 322.321 1.221 20 5 DDBDHN CSc1nc(Cl)c([N+](=O)[O-])c(N2CCNC3(CC3)C2)n1 ZINC001158933658 770106333 /nfs/dbraw/zinc/10/63/33/770106333.db2.gz RVOJPRHIMRFPKE-UHFFFAOYSA-N 0 3 315.786 1.702 20 5 DDBDHN O=C(Cc1cscn1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001134856276 771209542 /nfs/dbraw/zinc/20/95/42/771209542.db2.gz CQHGQNVSEHAEKN-UHFFFAOYSA-N 0 3 320.374 1.500 20 5 DDBDHN CCN(C)C(C)(C)C(=O)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001093952609 775259731 /nfs/dbraw/zinc/25/97/31/775259731.db2.gz HWFGRJJUVRHWLV-UHFFFAOYSA-N 0 3 309.370 1.248 20 5 DDBDHN CC(C)N(C)CC(=O)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094456570 775894525 /nfs/dbraw/zinc/89/45/25/775894525.db2.gz JQXOIVGALMOYIZ-UHFFFAOYSA-N 0 3 308.382 1.853 20 5 DDBDHN CCCN(C)CC(=O)NCCCNc1nccc(C)c1[N+](=O)[O-] ZINC001094517466 775976051 /nfs/dbraw/zinc/97/60/51/775976051.db2.gz STVPGLKNFVWYBJ-UHFFFAOYSA-N 0 3 323.397 1.558 20 5 DDBDHN Cc1cc(Cl)c(C(=O)NOCCN(C)C)cc1[N+](=O)[O-] ZINC001118764506 781236544 /nfs/dbraw/zinc/23/65/44/781236544.db2.gz QBQCUMMYPFLOIX-UHFFFAOYSA-N 0 3 301.730 1.780 20 5 DDBDHN CC(C)(C)C(=O)C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001155905229 862544984 /nfs/dbraw/zinc/54/49/84/862544984.db2.gz LGYXJWJBTNMWDT-UHFFFAOYSA-N 0 3 321.377 1.806 20 5 DDBDHN Cc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)on1 ZINC001123422856 859229028 /nfs/dbraw/zinc/22/90/28/859229028.db2.gz CUHXTVKJFHZNHH-UHFFFAOYSA-N 0 3 304.306 1.411 20 5 DDBDHN CSCCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001154442937 861109476 /nfs/dbraw/zinc/10/94/76/861109476.db2.gz CRACHEXAHZUBDM-UHFFFAOYSA-N 0 3 311.407 1.944 20 5 DDBDHN O=C(NCCCNCc1csc(Cl)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767574 864118860 /nfs/dbraw/zinc/11/88/60/864118860.db2.gz QZYPOAZECJXHBV-RKDXNWHRSA-N 0 3 318.786 1.058 20 5 DDBDHN COc1cc2ncnc(-n3ccc([C@H](C)N)n3)c2cc1[N+](=O)[O-] ZINC001158351407 864596737 /nfs/dbraw/zinc/59/67/37/864596737.db2.gz ZSCNDTICDUGJSY-QMMMGPOBSA-N 0 3 314.305 1.752 20 5 DDBDHN C[C@@H](Nc1ccc2ccc([N+](=O)[O-])cc2n1)[C@H]1CNCCO1 ZINC001159499814 865355323 /nfs/dbraw/zinc/35/53/23/865355323.db2.gz VRFXRLTYBSYQKR-QMTHXVAHSA-N 0 3 302.334 1.932 20 5 DDBDHN Cc1c(CN2CCC(OCC(N)=O)CC2)cccc1[N+](=O)[O-] ZINC001323613818 866722069 /nfs/dbraw/zinc/72/20/69/866722069.db2.gz JLENMTZWMWZPPK-UHFFFAOYSA-N 0 3 307.350 1.370 20 5 DDBDHN O=C(Cc1cnoc1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001164459552 869207123 /nfs/dbraw/zinc/20/71/23/869207123.db2.gz WZWNQBLJMJTVAB-UHFFFAOYSA-N 0 3 324.362 1.483 20 5 DDBDHN CC(C)C1(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001166263360 869925827 /nfs/dbraw/zinc/92/58/27/869925827.db2.gz QZVBIISTZCOOBZ-UHFFFAOYSA-N 0 3 323.397 1.360 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCCN1C ZINC001339153804 870375602 /nfs/dbraw/zinc/37/56/02/870375602.db2.gz YQPGEOSSTIAXNR-LBPRGKRZSA-N 0 3 307.350 1.818 20 5 DDBDHN CO[C@@H]1CCN(CCOc2nc3ccc([N+](=O)[O-])cc3o2)C1 ZINC001227232545 882921360 /nfs/dbraw/zinc/92/13/60/882921360.db2.gz UIOHWCOTLVCMKW-LLVKDONJSA-N 0 3 307.306 1.836 20 5 DDBDHN COc1cncc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001353248232 877211836 /nfs/dbraw/zinc/21/18/36/877211836.db2.gz SONAVRIHZPONGO-HNNXBMFYSA-N 0 3 303.318 1.822 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(NC(N)=O)CC1 ZINC001254550047 896498636 /nfs/dbraw/zinc/49/86/36/896498636.db2.gz BZAHDKMHPXKNTQ-NSHDSACASA-N 0 3 306.366 1.659 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCc2nncn2CC1 ZINC001254553497 896498686 /nfs/dbraw/zinc/49/86/86/896498686.db2.gz WDLGOACBEBESKM-LBPRGKRZSA-N 0 3 301.350 1.676 20 5 DDBDHN CCn1cc(Br)c(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC001263501871 900624101 /nfs/dbraw/zinc/62/41/01/900624101.db2.gz DMLMSVVPRBQEFN-ZCFIWIBFSA-N 0 3 306.116 1.488 20 5 DDBDHN O=C1NCCN1CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550133 231123205 /nfs/dbraw/zinc/12/32/05/231123205.db2.gz REZBRCHPDDQYSC-CQSZACIVSA-N 0 3 318.377 1.799 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2CCN(C[C@H]3CCOC3)CC2)cc1F ZINC000278761174 214383354 /nfs/dbraw/zinc/38/33/54/214383354.db2.gz XUWQBCJHRRZBOB-CQSZACIVSA-N 0 3 323.368 1.888 20 5 DDBDHN CC[C@@]1(O)CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000495218716 529573468 /nfs/dbraw/zinc/57/34/68/529573468.db2.gz GHSJYZBGIVUXMP-OAHLLOKOSA-N 0 3 310.350 1.829 20 5 DDBDHN CN(C)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000353799467 290839794 /nfs/dbraw/zinc/83/97/94/290839794.db2.gz DCKTUHSKDLFIHV-UHFFFAOYSA-N 0 3 321.377 1.778 20 5 DDBDHN CN(C)C[C@](C)(O)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000152669541 186095795 /nfs/dbraw/zinc/09/57/95/186095795.db2.gz JNCJXLRAQXQKAQ-OAHLLOKOSA-N 0 3 320.349 1.119 20 5 DDBDHN Cc1ccc([C@@H](C)NC(=O)C(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000177855392 186194233 /nfs/dbraw/zinc/19/42/33/186194233.db2.gz MBQGZNMGOYHGIR-NXEZZACHSA-N 0 3 314.363 1.514 20 5 DDBDHN CCOC(=O)c1cc(C(=O)NC[C@@H](C)N(C)C)cc([N+](=O)[O-])c1 ZINC000025148925 352194627 /nfs/dbraw/zinc/19/46/27/352194627.db2.gz QPEQLIXMBMUQRB-SNVBAGLBSA-N 0 3 323.349 1.451 20 5 DDBDHN CN1CCC(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069383716 353159615 /nfs/dbraw/zinc/15/96/15/353159615.db2.gz SDJIWBPYBXPYBP-UHFFFAOYSA-N 0 3 322.365 1.367 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CCC[C@H]2CN2CCCCC2)c1[N+](=O)[O-] ZINC000069489947 353162871 /nfs/dbraw/zinc/16/28/71/353162871.db2.gz CNUARBSWHTZKBC-LBPRGKRZSA-N 0 3 321.381 1.717 20 5 DDBDHN Cc1[nH]nc(C(=O)N2CCC[C@H]2CN2CCCCC2)c1[N+](=O)[O-] ZINC000069489947 353162873 /nfs/dbraw/zinc/16/28/73/353162873.db2.gz CNUARBSWHTZKBC-LBPRGKRZSA-N 0 3 321.381 1.717 20 5 DDBDHN CN1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000078359792 353512947 /nfs/dbraw/zinc/51/29/47/353512947.db2.gz XZHHMSRVEHJQAG-UHFFFAOYSA-N 0 3 318.377 1.629 20 5 DDBDHN O=[N+]([O-])c1cccnc1N1CCCN(C2CCOCC2)CC1 ZINC000077990040 353500478 /nfs/dbraw/zinc/50/04/78/353500478.db2.gz CUMBHGYSOCUUNR-UHFFFAOYSA-N 0 3 306.366 1.681 20 5 DDBDHN COC[C@@H](C)OC[C@H](O)CNCc1cccc([N+](=O)[O-])c1C ZINC000319763477 354523231 /nfs/dbraw/zinc/52/32/31/354523231.db2.gz QJOPVSBWLQNYOX-BXUZGUMPSA-N 0 3 312.366 1.405 20 5 DDBDHN C[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000494691739 235074403 /nfs/dbraw/zinc/07/44/03/235074403.db2.gz VLMHXMUQANOWOK-JTQLQIEISA-N 0 3 303.322 1.997 20 5 DDBDHN CN1CCC[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000589836345 355024242 /nfs/dbraw/zinc/02/42/42/355024242.db2.gz AMRCYFFKKBVLJS-VIFPVBQESA-N 0 3 313.304 1.626 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC000590444725 355098410 /nfs/dbraw/zinc/09/84/10/355098410.db2.gz KEKZHHWPPQVFME-ZUZCIYMTSA-N 0 3 314.345 1.852 20 5 DDBDHN CC[C@@H](NCC(=O)N1CCNCC1)c1cccc([N+](=O)[O-])c1 ZINC000591577147 355329965 /nfs/dbraw/zinc/32/99/65/355329965.db2.gz OWJFMMLSAVSBER-CQSZACIVSA-N 0 3 306.366 1.067 20 5 DDBDHN C[C@H](C[S@@](C)=O)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591760702 355379539 /nfs/dbraw/zinc/37/95/39/355379539.db2.gz PTSRWDSEZFCDCO-LADRHHBVSA-N 0 3 313.379 1.280 20 5 DDBDHN C[C@@H](C[S@](C)=O)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591760700 355379716 /nfs/dbraw/zinc/37/97/16/355379716.db2.gz PTSRWDSEZFCDCO-CWKPULSASA-N 0 3 313.379 1.280 20 5 DDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CNCCC1(F)F ZINC000591669688 355357512 /nfs/dbraw/zinc/35/75/12/355357512.db2.gz VVTFJBBWKHRWKS-GFCCVEGCSA-N 0 3 313.304 1.498 20 5 DDBDHN CCCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000592831910 355707272 /nfs/dbraw/zinc/70/72/72/355707272.db2.gz QGQURPPYGOWQDV-CYBMUJFWSA-N 0 3 321.377 1.916 20 5 DDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(CCN(C)C)C(=O)C1 ZINC000593051558 355780321 /nfs/dbraw/zinc/78/03/21/355780321.db2.gz LBJPPGYLRQMDAQ-CYBMUJFWSA-N 0 3 320.393 1.362 20 5 DDBDHN C[C@H](CO)C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000593080811 355788789 /nfs/dbraw/zinc/78/87/89/355788789.db2.gz FMYUJZFDCSVLNG-GFCCVEGCSA-N 0 3 309.366 1.097 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCCC[C@H]2CO)c1 ZINC000594014451 356087150 /nfs/dbraw/zinc/08/71/50/356087150.db2.gz DSXLYSZZRUDDDH-GJZGRUSLSA-N 0 3 324.377 1.571 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594200387 356138162 /nfs/dbraw/zinc/13/81/62/356138162.db2.gz LRQWSSHZPJDCFR-QWHCGFSZSA-N 0 3 306.366 1.680 20 5 DDBDHN O=C1C[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])CN1C1CC1 ZINC000594500371 356238127 /nfs/dbraw/zinc/23/81/27/356238127.db2.gz RSXYFIHHIBNKHZ-YGRLFVJLSA-N 0 3 301.346 1.935 20 5 DDBDHN NC[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000594523781 356242571 /nfs/dbraw/zinc/24/25/71/356242571.db2.gz DCGSWUKWTDCGLK-SECBINFHSA-N 0 3 306.244 1.284 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@]1(OCCO)CCOC1 ZINC000595077303 356378914 /nfs/dbraw/zinc/37/89/14/356378914.db2.gz FZXFUDGZLLGZDE-XJKSGUPXSA-N 0 3 324.377 1.722 20 5 DDBDHN CCN1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536004 356537564 /nfs/dbraw/zinc/53/75/64/356537564.db2.gz LTFACGYHCDUPFL-ZDUSSCGKSA-N 0 3 320.393 1.949 20 5 DDBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1COCCO1 ZINC000595738481 356629371 /nfs/dbraw/zinc/62/93/71/356629371.db2.gz JDHDEEUXBNLMOU-OAHLLOKOSA-N 0 3 310.350 1.711 20 5 DDBDHN COc1ccc(OCCN2C[C@@H]3COC[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000595762097 356641906 /nfs/dbraw/zinc/64/19/06/356641906.db2.gz ZXPOWZPUZRFGGD-MLGOLLRUSA-N 0 3 322.361 1.951 20 5 DDBDHN CN1C[C@@H]2CCCN(c3ccc4ncc([N+](=O)[O-])n4n3)[C@@H]2C1 ZINC000425283742 283206043 /nfs/dbraw/zinc/20/60/43/283206043.db2.gz MQHRCLKVLHUMIK-WDEREUQCSA-N 0 3 302.338 1.168 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](F)[C@H](N)C1 ZINC000595905342 356700166 /nfs/dbraw/zinc/70/01/66/356700166.db2.gz BZNUDGZCTCOGPS-VXGBXAGGSA-N 0 3 310.329 1.213 20 5 DDBDHN CCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000597944664 357393949 /nfs/dbraw/zinc/39/39/49/357393949.db2.gz DNJNTWHSVJCOPE-CYBMUJFWSA-N 0 3 309.341 1.829 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C3CCCCC3)C2)n1 ZINC000598218892 357497168 /nfs/dbraw/zinc/49/71/68/357497168.db2.gz IYJBJOXCZKLKIS-LLVKDONJSA-N 0 3 321.381 1.465 20 5 DDBDHN CC[C@@H]1CN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C[C@H](C)N1 ZINC000598531860 357622562 /nfs/dbraw/zinc/62/25/62/357622562.db2.gz RKIAJVNPJVYQBQ-GXFFZTMASA-N 0 3 323.397 1.397 20 5 DDBDHN Cc1nn(CCC(=O)N2CCN[C@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598576687 357638991 /nfs/dbraw/zinc/63/89/91/357638991.db2.gz YVGNIIFBCGMRAQ-ZDUSSCGKSA-N 0 3 323.397 1.255 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCc2nccc(N)c2C1 ZINC000598942246 357767391 /nfs/dbraw/zinc/76/73/91/357767391.db2.gz JRLCXMZPFUGBQX-UHFFFAOYSA-N 0 3 302.338 1.660 20 5 DDBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2COCCN2)o1 ZINC000600677938 358280474 /nfs/dbraw/zinc/28/04/74/358280474.db2.gz LQOPDIGPWLDLKA-LBPRGKRZSA-N 0 3 317.345 1.933 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CNCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000600776744 358312985 /nfs/dbraw/zinc/31/29/85/358312985.db2.gz RMZHWFOEHNGCBC-UHFFFAOYSA-N 0 3 303.322 1.147 20 5 DDBDHN CN1CCC[C@@H](N2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)C1 ZINC000601115798 358408736 /nfs/dbraw/zinc/40/87/36/358408736.db2.gz CGYCLGUSIHKEKC-CYBMUJFWSA-N 0 3 323.372 1.345 20 5 DDBDHN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000348140565 283387404 /nfs/dbraw/zinc/38/74/04/283387404.db2.gz KWPXWTGAVQMREL-OLZOCXBDSA-N 0 3 321.377 1.962 20 5 DDBDHN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000348140571 283387454 /nfs/dbraw/zinc/38/74/54/283387454.db2.gz KWPXWTGAVQMREL-STQMWFEESA-N 0 3 321.377 1.962 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCC[C@H]1CCO ZINC000348148542 283390991 /nfs/dbraw/zinc/39/09/91/283390991.db2.gz IRLIDDZPLAYBJJ-STQMWFEESA-N 0 3 321.377 1.982 20 5 DDBDHN COC(=O)[C@H]1CC12CCN(Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000602473623 359001636 /nfs/dbraw/zinc/00/16/36/359001636.db2.gz VLKOOICIUUNJRA-LLVKDONJSA-N 0 3 308.338 1.103 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000602795883 359197749 /nfs/dbraw/zinc/19/77/49/359197749.db2.gz BYAGAKDJUMSECD-CHWSQXEVSA-N 0 3 321.381 1.090 20 5 DDBDHN C[C@H](c1ccccc1)[C@@H](CO)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602810852 359206837 /nfs/dbraw/zinc/20/68/37/359206837.db2.gz OVRBKUGNTSWFCR-BXUZGUMPSA-N 0 3 304.350 1.583 20 5 DDBDHN C[C@@]1(CO)C[C@H](O)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000602899325 359281123 /nfs/dbraw/zinc/28/11/23/359281123.db2.gz PNCNHHNHGNOMIP-ZFWWWQNUSA-N 0 3 310.350 1.181 20 5 DDBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NC[C@@H](O)C(F)(F)F)n1 ZINC000618577868 363680458 /nfs/dbraw/zinc/68/04/58/363680458.db2.gz MDGYKSZSNPVGNU-LPEHRKFASA-N 0 3 322.287 1.788 20 5 DDBDHN CC[C@H](CN1CCCC1)NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000609833302 360353673 /nfs/dbraw/zinc/35/36/73/360353673.db2.gz GMEIWUODKWVGIA-GFCCVEGCSA-N 0 3 309.370 1.090 20 5 DDBDHN CC(C)(CO)N1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000610481169 360446601 /nfs/dbraw/zinc/44/66/01/360446601.db2.gz MIJZQZZVPHNDDP-UHFFFAOYSA-N 0 3 323.393 1.362 20 5 DDBDHN COc1ccc(OCCN(C)C[C@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000610571771 360472709 /nfs/dbraw/zinc/47/27/09/360472709.db2.gz NQZUPMMCYGSXOF-AWEZNQCLSA-N 0 3 310.350 1.685 20 5 DDBDHN C[C@@H]1COCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610990903 360591756 /nfs/dbraw/zinc/59/17/56/360591756.db2.gz UFQGIZKERFOUGH-OCCSQVGLSA-N 0 3 310.350 1.445 20 5 DDBDHN CCN1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000612030670 360895313 /nfs/dbraw/zinc/89/53/13/360895313.db2.gz WIWJMUGNOLWRJS-ZIAGYGMSSA-N 0 3 323.393 1.361 20 5 DDBDHN CCc1n[nH]c(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288490011 220175570 /nfs/dbraw/zinc/17/55/70/220175570.db2.gz ROIRPQDEJWBKOD-WDEREUQCSA-N 0 3 321.381 1.579 20 5 DDBDHN COCCN(C)CCNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000336858843 249266948 /nfs/dbraw/zinc/26/69/48/249266948.db2.gz BYZKNEQODDQETJ-UHFFFAOYSA-N 0 3 311.338 1.372 20 5 DDBDHN Cc1ccc(CN2CCN(C[C@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000284432071 218024562 /nfs/dbraw/zinc/02/45/62/218024562.db2.gz SBADETLVKFJRMB-KGLIPLIRSA-N 0 3 307.394 1.790 20 5 DDBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](N(C)C)C1 ZINC000109806032 194287687 /nfs/dbraw/zinc/28/76/87/194287687.db2.gz YYQLHLJZNNUQFA-WFASDCNBSA-N 0 3 320.393 1.948 20 5 DDBDHN CN(C)CCOc1cnccc1CNc1ncccc1[N+](=O)[O-] ZINC000341056835 251359144 /nfs/dbraw/zinc/35/91/44/251359144.db2.gz VTUCTYRBDDKJKW-UHFFFAOYSA-N 0 3 317.349 1.937 20 5 DDBDHN CN(C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])nn2C)c(F)c1 ZINC000412563308 224054552 /nfs/dbraw/zinc/05/45/52/224054552.db2.gz YVKNVTXXHJQXPO-UHFFFAOYSA-N 0 3 321.312 1.781 20 5 DDBDHN CCN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000352689903 285230374 /nfs/dbraw/zinc/23/03/74/285230374.db2.gz DKHYIGCHSAULNM-NSHDSACASA-N 0 3 303.366 1.997 20 5 DDBDHN COC(=O)COc1ccc(CN[C@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000424184231 533558672 /nfs/dbraw/zinc/55/86/72/533558672.db2.gz LSEVPQABSCITBK-ZDUSSCGKSA-N 0 3 306.318 1.789 20 5 DDBDHN CN(C)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])nn2C)cc1 ZINC000360417881 299659327 /nfs/dbraw/zinc/65/93/27/299659327.db2.gz VSPXBBRORXUEEA-UHFFFAOYSA-N 0 3 317.349 1.320 20 5 DDBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@]2(O)CCOC2)c1 ZINC000179020885 306690195 /nfs/dbraw/zinc/69/01/95/306690195.db2.gz MDYUYJKJSAMLPS-ZDUSSCGKSA-N 0 3 318.276 1.437 20 5 DDBDHN [NH3+]CCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000037714609 406993370 /nfs/dbraw/zinc/99/33/70/406993370.db2.gz NGMIOQCRACEWGP-UHFFFAOYSA-N 0 3 307.759 1.265 20 5 DDBDHN CC(C)CN1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000053782180 407173815 /nfs/dbraw/zinc/17/38/15/407173815.db2.gz IKXFVWFIKNXWQZ-UHFFFAOYSA-N 0 3 320.393 1.467 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N(C)CCCN2CCN(C)CC2)n1 ZINC000125425004 407388233 /nfs/dbraw/zinc/38/82/33/407388233.db2.gz YWXHUXUBHOHDJI-UHFFFAOYSA-N 0 3 307.398 1.372 20 5 DDBDHN CCCCN(C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000112309932 407426032 /nfs/dbraw/zinc/42/60/32/407426032.db2.gz IYGVMCRIMLENGM-UHFFFAOYSA-N 0 3 312.345 1.778 20 5 DDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN2CCC[C@@H]2C1 ZINC000178627223 407517895 /nfs/dbraw/zinc/51/78/95/407517895.db2.gz KBGUGJKJJZPNRT-IUODEOHRSA-N 0 3 318.377 1.702 20 5 DDBDHN CN1CCC(O)(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000266728630 407612647 /nfs/dbraw/zinc/61/26/47/407612647.db2.gz OADTWXHWIFIPRT-QPJJXVBHSA-N 0 3 319.361 1.181 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(CO)CCCC1 ZINC000179060434 407707096 /nfs/dbraw/zinc/70/70/96/407707096.db2.gz ABFKEHFLPBFEKB-UHFFFAOYSA-N 0 3 307.350 1.736 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000131690224 407749371 /nfs/dbraw/zinc/74/93/71/407749371.db2.gz KRHCCFUHBRPCQF-ZDUSSCGKSA-N 0 3 324.381 1.309 20 5 DDBDHN CC[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182318334 306703810 /nfs/dbraw/zinc/70/38/10/306703810.db2.gz VCAWSZZXMRKBRZ-GXTWGEPZSA-N 0 3 307.350 1.741 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CN1C1CC1 ZINC000180854406 407923730 /nfs/dbraw/zinc/92/37/30/407923730.db2.gz XSNCBTBHPRGMNV-NXEZZACHSA-N 0 3 304.350 1.532 20 5 DDBDHN CN1CC=C(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000272576616 407991975 /nfs/dbraw/zinc/99/19/75/407991975.db2.gz VVFSFCBSISUOKZ-UHFFFAOYSA-N 0 3 319.317 1.315 20 5 DDBDHN Cc1nn(C)c(C(=O)NC[C@H]2CCCN2CC(C)C)c1[N+](=O)[O-] ZINC000119451642 408073207 /nfs/dbraw/zinc/07/32/07/408073207.db2.gz TWBXPUUECQKETM-GFCCVEGCSA-N 0 3 323.397 1.487 20 5 DDBDHN CC(C)(NCCn1cc([N+](=O)[O-])cn1)C(=O)NCC1CCCC1 ZINC000155040739 408117905 /nfs/dbraw/zinc/11/79/05/408117905.db2.gz YNTGDOHDVBBYBK-UHFFFAOYSA-N 0 3 323.397 1.466 20 5 DDBDHN CC(=O)N1CC[C@@H](CN(C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000156444397 408253994 /nfs/dbraw/zinc/25/39/94/408253994.db2.gz TXDRQJJIRSCENJ-AWEZNQCLSA-N 0 3 321.377 1.774 20 5 DDBDHN C[C@@H]1CCCN(CCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000175994814 408258646 /nfs/dbraw/zinc/25/86/46/408258646.db2.gz MDXVWLHZKUAQGE-LLVKDONJSA-N 0 3 306.366 1.639 20 5 DDBDHN CC(C)C(=O)NC[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176225452 408314656 /nfs/dbraw/zinc/31/46/56/408314656.db2.gz XWQBMPHZOWHVEN-CYBMUJFWSA-N 0 3 323.397 1.276 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000171447392 162218984 /nfs/dbraw/zinc/21/89/84/162218984.db2.gz MLXJUZOKJCKVMP-ZDUSSCGKSA-N 0 3 319.361 1.914 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CCC[C@H]2CN2CCCC2)c1[N+](=O)[O-] ZINC000264194755 408396250 /nfs/dbraw/zinc/39/62/50/408396250.db2.gz OIXDPCHYZZQBJT-NSHDSACASA-N 0 3 307.354 1.327 20 5 DDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@](C)(O)CN(C)C ZINC000183476067 408420949 /nfs/dbraw/zinc/42/09/49/408420949.db2.gz MWQPJPQIDCAZLQ-YHVDPYDOSA-N 0 3 321.377 1.427 20 5 DDBDHN CN(C)C(=O)c1ccc(CNCCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000176756753 408435822 /nfs/dbraw/zinc/43/58/22/408435822.db2.gz FTSAZBQTJDYUJW-UHFFFAOYSA-N 0 3 316.361 1.957 20 5 DDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000247523659 408487761 /nfs/dbraw/zinc/48/77/61/408487761.db2.gz WPZVXRQXTAEJLT-SWLSCSKDSA-N 0 3 321.377 1.772 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CN1C1CC1 ZINC000184486896 408627914 /nfs/dbraw/zinc/62/79/14/408627914.db2.gz NHFFPKODVWPKTA-NXEZZACHSA-N 0 3 304.350 1.532 20 5 DDBDHN Cc1nn(C)c(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000270736708 408657263 /nfs/dbraw/zinc/65/72/63/408657263.db2.gz BOOMWTGAMQCCNG-NSHDSACASA-N 0 3 323.397 1.439 20 5 DDBDHN CC(C)(N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161975354 408658022 /nfs/dbraw/zinc/65/80/22/408658022.db2.gz DWQXSEWGLTXAPA-UHFFFAOYSA-N 0 3 307.350 1.702 20 5 DDBDHN COCCN1CC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000265628051 408719938 /nfs/dbraw/zinc/71/99/38/408719938.db2.gz RGJQUCLTACMPLL-ZDUSSCGKSA-N 0 3 322.365 1.115 20 5 DDBDHN C[C@H](NC[C@H]1CC[C@H](C(=O)N(C)C)O1)c1cccc([N+](=O)[O-])c1 ZINC000183464936 306711178 /nfs/dbraw/zinc/71/11/78/306711178.db2.gz WKOIZPZWYRYMBU-NILFDRSVSA-N 0 3 321.377 1.881 20 5 DDBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000164177946 408795704 /nfs/dbraw/zinc/79/57/04/408795704.db2.gz GDDDNOYPMJEKNM-LLVKDONJSA-N 0 3 309.370 1.558 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000250817944 408779785 /nfs/dbraw/zinc/77/97/85/408779785.db2.gz WIODLFDGQKXGAM-WDEREUQCSA-N 0 3 312.757 1.918 20 5 DDBDHN C[C@@H]1C[C@@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])CCN1C ZINC000290863220 408846433 /nfs/dbraw/zinc/84/64/33/408846433.db2.gz YVJJQCLEYDRNKA-ZJUUUORDSA-N 0 3 307.354 1.008 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000277638646 408982809 /nfs/dbraw/zinc/98/28/09/408982809.db2.gz TUHZCGDKHVQUOJ-IINYFYTJSA-N 0 3 319.361 1.816 20 5 DDBDHN CC(C)[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCCO1 ZINC000293237219 409074284 /nfs/dbraw/zinc/07/42/84/409074284.db2.gz SOXGYDWWQSZGNJ-CQSZACIVSA-N 0 3 309.366 1.503 20 5 DDBDHN CC(C)N1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000283166136 409102899 /nfs/dbraw/zinc/10/28/99/409102899.db2.gz PEGKEUIDFWGQTA-SNVBAGLBSA-N 0 3 324.356 1.919 20 5 DDBDHN CN1CC[C@]2(CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)C1 ZINC000293658817 409156036 /nfs/dbraw/zinc/15/60/36/409156036.db2.gz HQKKBJHMAXEYDE-HNNXBMFYSA-N 0 3 304.350 1.345 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](N(C)CCO)[C@H]1C ZINC000293697263 409162622 /nfs/dbraw/zinc/16/26/22/409162622.db2.gz OSMHQSVCZCLAHW-IUODEOHRSA-N 0 3 321.377 1.430 20 5 DDBDHN CCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284012544 409257824 /nfs/dbraw/zinc/25/78/24/409257824.db2.gz OEMLNHWEDWJTPU-JTQLQIEISA-N 0 3 324.356 1.920 20 5 DDBDHN CN(C)CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294312931 409277251 /nfs/dbraw/zinc/27/72/51/409277251.db2.gz YMAKHCIHZNPXGF-UHFFFAOYSA-N 0 3 305.256 1.905 20 5 DDBDHN CO[C@H]1COC[C@@H]1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000290130706 409306820 /nfs/dbraw/zinc/30/68/20/409306820.db2.gz LRRYDWAXEPKXKP-KBPBESRZSA-N 0 3 323.349 1.235 20 5 DDBDHN CCCN1CCC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000354139155 409690014 /nfs/dbraw/zinc/69/00/14/409690014.db2.gz PKAFJUXRTVJWJH-HNNXBMFYSA-N 0 3 320.393 1.997 20 5 DDBDHN C[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000357308536 409967636 /nfs/dbraw/zinc/96/76/36/409967636.db2.gz WNYSRUZWRVXNEZ-GHMZBOCLSA-N 0 3 321.381 1.621 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CCO)C1CC1 ZINC000297835087 410018650 /nfs/dbraw/zinc/01/86/50/410018650.db2.gz KBZSUTXXNJYNNU-UHFFFAOYSA-N 0 3 323.349 1.389 20 5 DDBDHN CN(C)CCOCCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347261360 410427798 /nfs/dbraw/zinc/42/77/98/410427798.db2.gz MFNZBANLHDYULI-UHFFFAOYSA-N 0 3 314.317 1.434 20 5 DDBDHN Cc1cc(C(=O)NC[C@](C)(O)CCN(C)C)ccc1[N+](=O)[O-] ZINC000352113111 410491187 /nfs/dbraw/zinc/49/11/87/410491187.db2.gz ZOAUBARFKATSHF-OAHLLOKOSA-N 0 3 309.366 1.336 20 5 DDBDHN CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000347900115 410781116 /nfs/dbraw/zinc/78/11/16/410781116.db2.gz SQKHEAKVRGXFHN-CYBMUJFWSA-N 0 3 318.377 1.702 20 5 DDBDHN CCc1nn(C)c(NC2CCN(CCOC)CC2)c1[N+](=O)[O-] ZINC000301943379 410832055 /nfs/dbraw/zinc/83/20/55/410832055.db2.gz YGAVEMKRECELCZ-UHFFFAOYSA-N 0 3 311.386 1.413 20 5 DDBDHN CCN1CCC(N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000330630348 410837699 /nfs/dbraw/zinc/83/76/99/410837699.db2.gz OFXWCPCGUBPSJP-UHFFFAOYSA-N 0 3 306.366 1.855 20 5 DDBDHN Cn1c(C(=O)N2CC[C@H](N3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000341175805 410915966 /nfs/dbraw/zinc/91/59/66/410915966.db2.gz UHSWCSOFIDJMDN-LBPRGKRZSA-N 0 3 306.366 1.634 20 5 DDBDHN CN(C)Cc1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000129973757 196083747 /nfs/dbraw/zinc/08/37/47/196083747.db2.gz MSJUIFXQDPCGKD-UHFFFAOYSA-N 0 3 317.349 1.283 20 5 DDBDHN CCO[C@H]1COCC[C@@H]1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000362009978 307012397 /nfs/dbraw/zinc/01/23/97/307012397.db2.gz BQVQQWOWJMTAQA-WFASDCNBSA-N 0 3 310.350 1.887 20 5 DDBDHN COc1cc(OCC(=O)NC[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000195186999 418554795 /nfs/dbraw/zinc/55/47/95/418554795.db2.gz VEQLIKBXTPNMSS-LLVKDONJSA-N 0 3 323.349 1.193 20 5 DDBDHN O=C(CCN1CC([C@@H]2CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000367130480 418563529 /nfs/dbraw/zinc/56/35/29/418563529.db2.gz HDBDPIOWBXNANM-GFCCVEGCSA-N 0 3 319.361 1.892 20 5 DDBDHN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCN2CCC[C@H]2C1 ZINC000195190714 222193675 /nfs/dbraw/zinc/19/36/75/222193675.db2.gz XAOYPCVFGWFEDS-LBPRGKRZSA-N 0 3 314.345 1.996 20 5 DDBDHN O=[N+]([O-])c1cnc2c(c1)CN(CCN1CCCOCC1)CC2 ZINC000361349330 418631806 /nfs/dbraw/zinc/63/18/06/418631806.db2.gz UGVZCAOYWMKTIB-UHFFFAOYSA-N 0 3 306.366 1.070 20 5 DDBDHN Nc1nc(N2CCC[C@@H](N3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000363395982 418765365 /nfs/dbraw/zinc/76/53/65/418765365.db2.gz OTINLZBHVMNIGE-LLVKDONJSA-N 0 3 306.370 1.422 20 5 DDBDHN Cn1ccnc1[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000365651417 418888658 /nfs/dbraw/zinc/88/86/58/418888658.db2.gz VYDNMSQSNIDZPW-LBPRGKRZSA-N 0 3 304.354 1.404 20 5 DDBDHN C[C@@H]1CN(CCO)[C@@H](C)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000418109211 419537468 /nfs/dbraw/zinc/53/74/68/419537468.db2.gz HXOVKGSHVRNCKP-ZWXLGZMVSA-N 0 3 319.405 1.995 20 5 DDBDHN CN(C[C@H]1CCCN1C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000421710517 419699049 /nfs/dbraw/zinc/69/90/49/419699049.db2.gz KZMHHZAJUCLMOH-LLVKDONJSA-N 0 3 317.349 1.637 20 5 DDBDHN C[C@H]1C[C@@H](O)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000429115373 419970590 /nfs/dbraw/zinc/97/05/90/419970590.db2.gz ODOFYSSOUUSZLX-AVGNSLFASA-N 0 3 310.350 1.180 20 5 DDBDHN Cc1c(CC(=O)N[C@@H]2CNCCC2(F)F)cccc1[N+](=O)[O-] ZINC000423699986 420132773 /nfs/dbraw/zinc/13/27/73/420132773.db2.gz RLGUDMINSUWRSJ-GFCCVEGCSA-N 0 3 313.304 1.559 20 5 DDBDHN Cc1c(NC(=O)[C@H](C)N2CCN[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000420339941 420219913 /nfs/dbraw/zinc/21/99/13/420219913.db2.gz RPSWZPRFZQSXTR-PWSUYJOCSA-N 0 3 306.366 1.524 20 5 DDBDHN Cc1cc(S(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F)ccc1[N+](=O)[O-] ZINC000420453287 420298256 /nfs/dbraw/zinc/29/82/56/420298256.db2.gz CWTVUZJLGINARY-VIFPVBQESA-N 0 3 323.321 1.164 20 5 DDBDHN Cc1cc(S(=O)(=O)[N-][C@H](CC[NH3+])C(F)F)ccc1[N+](=O)[O-] ZINC000420453285 420298771 /nfs/dbraw/zinc/29/87/71/420298771.db2.gz CWTVUZJLGINARY-SECBINFHSA-N 0 3 323.321 1.164 20 5 DDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCN(C)C1 ZINC000416494277 420393433 /nfs/dbraw/zinc/39/34/33/420393433.db2.gz IFBPDHFAUPNDBA-LLVKDONJSA-N 0 3 313.379 1.133 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)CN(C)C ZINC000416505889 420400550 /nfs/dbraw/zinc/40/05/50/420400550.db2.gz CVOVBEJBRZCKOW-UHFFFAOYSA-N 0 3 315.395 1.522 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@H](c3nnc[nH]3)C2)cc1 ZINC000425549783 420415420 /nfs/dbraw/zinc/41/54/20/420415420.db2.gz ODALTHWXPCWRDP-NSHDSACASA-N 0 3 303.322 1.581 20 5 DDBDHN CN(C)CCS[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000446569214 230279414 /nfs/dbraw/zinc/27/94/14/230279414.db2.gz LFHHZJPESHMJBC-ZDUSSCGKSA-N 0 3 309.391 1.995 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000442132924 420671444 /nfs/dbraw/zinc/67/14/44/420671444.db2.gz QKSDANHFBDIYED-ZYHUDNBSSA-N 0 3 320.349 1.132 20 5 DDBDHN C[C@@H](CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)N(C)C ZINC000455422632 421010100 /nfs/dbraw/zinc/01/01/00/421010100.db2.gz ANUPZXOHVLMPIF-NSHDSACASA-N 0 3 322.365 1.449 20 5 DDBDHN COCCN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000490069519 421188438 /nfs/dbraw/zinc/18/84/38/421188438.db2.gz VBXFTKZJVPIDLB-AWEZNQCLSA-N 0 3 310.350 1.711 20 5 DDBDHN C[C@@H]1CCN(CCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000524776429 421271619 /nfs/dbraw/zinc/27/16/19/421271619.db2.gz DZSBPPOVUJPDPN-GFCCVEGCSA-N 0 3 307.350 1.432 20 5 DDBDHN CN(CCN(C)C1CC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000548435785 421438042 /nfs/dbraw/zinc/43/80/42/421438042.db2.gz WMBZDAVBBJJTBK-UHFFFAOYSA-N 0 3 321.333 1.490 20 5 DDBDHN CC(=O)N1CC[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000515415901 421500879 /nfs/dbraw/zinc/50/08/79/421500879.db2.gz XQPIMSFEBNXDSF-LBPRGKRZSA-N 0 3 320.349 1.134 20 5 DDBDHN CNc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000531482991 421635444 /nfs/dbraw/zinc/63/54/44/421635444.db2.gz JXPUARZCZCYKNO-ZYHUDNBSSA-N 0 3 318.377 1.992 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@H](C)C1 ZINC000572425040 421787258 /nfs/dbraw/zinc/78/72/58/421787258.db2.gz GLWAAVQQFGRMAY-NSHDSACASA-N 0 3 307.350 1.675 20 5 DDBDHN Cc1cc(OCC(=O)NC[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000582218201 422130296 /nfs/dbraw/zinc/13/02/96/422130296.db2.gz HRTDYUAZAPNKJI-CYBMUJFWSA-N 0 3 321.377 1.740 20 5 DDBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000575933691 422350283 /nfs/dbraw/zinc/35/02/83/422350283.db2.gz SJKRPOPHRIBXLV-QWRGUYRKSA-N 0 3 319.365 1.271 20 5 DDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000575933689 422350989 /nfs/dbraw/zinc/35/09/89/422350989.db2.gz SJKRPOPHRIBXLV-GHMZBOCLSA-N 0 3 319.365 1.271 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](O)[C@H]1CCOC1)CCC2 ZINC000578721514 422628652 /nfs/dbraw/zinc/62/86/52/422628652.db2.gz QQRDIMCGUFJWGS-APHBMKBZSA-N 0 3 306.362 1.959 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000344645715 272079103 /nfs/dbraw/zinc/07/91/03/272079103.db2.gz PUIDMORIXLKRFZ-NSHDSACASA-N 0 3 309.370 1.179 20 5 DDBDHN CN1CCC[C@]2(CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])C2)C1 ZINC000292707584 277087619 /nfs/dbraw/zinc/08/76/19/277087619.db2.gz GNGHZQNMWICZQI-HNNXBMFYSA-N 0 3 319.365 1.011 20 5 DDBDHN CCOc1ccc(C(=O)NCCN2CCCC2)cc1[N+](=O)[O-] ZINC000073002190 280944372 /nfs/dbraw/zinc/94/43/72/280944372.db2.gz VWWFCAYNUOOFOU-UHFFFAOYSA-N 0 3 307.350 1.819 20 5 DDBDHN C[C@@H](c1cccs1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246705819 282008162 /nfs/dbraw/zinc/00/81/62/282008162.db2.gz JXKPKNZWVOZHHW-CMPLNLGQSA-N 0 3 310.379 1.907 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C[C@H]21 ZINC000362290458 300045095 /nfs/dbraw/zinc/04/50/95/300045095.db2.gz RVCCBSIBDURWLK-GXFFZTMASA-N 0 3 304.350 1.343 20 5 DDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363265559 300242025 /nfs/dbraw/zinc/24/20/25/300242025.db2.gz FYFAKBOAEKPFSW-HUUCEWRRSA-N 0 3 319.361 1.117 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)c1 ZINC000368590608 301060121 /nfs/dbraw/zinc/06/01/21/301060121.db2.gz KZNRBRWFFIZYPJ-NHYWBVRUSA-N 0 3 319.361 1.770 20 5 DDBDHN COc1cc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c([N+](=O)[O-])cc1[O-] ZINC000376196745 302049144 /nfs/dbraw/zinc/04/91/44/302049144.db2.gz OYZWCNZACRZEHG-LLVKDONJSA-N 0 3 318.333 1.679 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000377481813 302183952 /nfs/dbraw/zinc/18/39/52/302183952.db2.gz OPIPQXOXQITNGV-GJZGRUSLSA-N 0 3 319.361 1.117 20 5 DDBDHN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cnc2c(c1)CNCC2 ZINC000378405580 302322657 /nfs/dbraw/zinc/32/26/57/302322657.db2.gz QXMGJSHOUZRJIK-UHFFFAOYSA-N 0 3 312.329 1.817 20 5 DDBDHN COC[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000542523933 303440771 /nfs/dbraw/zinc/44/07/71/303440771.db2.gz BYDHNXMILVWDCG-AWEZNQCLSA-N 0 3 309.366 1.818 20 5 DDBDHN COC(=O)[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000366655087 307078723 /nfs/dbraw/zinc/07/87/23/307078723.db2.gz PPHGCWNJCJYTCS-UONOGXRCSA-N 0 3 322.361 1.759 20 5 DDBDHN COc1ccc(OCCN[C@@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000515495043 307405423 /nfs/dbraw/zinc/40/54/23/307405423.db2.gz CSSQZVSVGCQBIE-ZIAGYGMSSA-N 0 3 310.350 1.731 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCNCc2c[nH]c3nccnc23)cc1 ZINC000564529058 307999663 /nfs/dbraw/zinc/99/96/63/307999663.db2.gz OOFIFSTULJZAAM-UHFFFAOYSA-N 0 3 313.317 1.986 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CC[C@@H](F)C2)cc1 ZINC000566131428 308045712 /nfs/dbraw/zinc/04/57/12/308045712.db2.gz ZBFXMEYRPUUXND-MNOVXSKESA-N 0 3 316.354 1.849 20 5 DDBDHN C[C@H]1COCCN1CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566571515 308057819 /nfs/dbraw/zinc/05/78/19/308057819.db2.gz DJCNXRKWUOOYRW-WFASDCNBSA-N 0 3 305.378 1.892 20 5 DDBDHN CN1CC[C@](O)(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000567607891 308086772 /nfs/dbraw/zinc/08/67/72/308086772.db2.gz IHXIBKHIUSHURJ-HNNXBMFYSA-N 0 3 306.366 1.347 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2CCNC3)n1 ZINC000574311834 308267069 /nfs/dbraw/zinc/26/70/69/308267069.db2.gz GKHBVZAHOJTXDW-UHFFFAOYSA-N 0 3 315.333 1.709 20 5 DDBDHN O=C1NCC[C@@H]1CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000575192655 308273350 /nfs/dbraw/zinc/27/33/50/308273350.db2.gz JMIKJCRHCFVURF-VXGBXAGGSA-N 0 3 319.365 1.002 20 5 DDBDHN CC[NH2+]CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036299403 337352784 /nfs/dbraw/zinc/35/27/84/337352784.db2.gz LLEQYLGRLLXWDY-UHFFFAOYSA-N 0 3 321.786 1.526 20 5 DDBDHN CC(C)(O)CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000390868473 483981965 /nfs/dbraw/zinc/98/19/65/483981965.db2.gz OUOWJOLOQBBAND-UHFFFAOYSA-N 0 3 319.365 1.364 20 5 DDBDHN C[C@H](O)[C@@H]1C[C@H](C)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000443349073 534107285 /nfs/dbraw/zinc/10/72/85/534107285.db2.gz SYPVCIUBNNRCJE-DYEKYZERSA-N 0 3 309.366 1.238 20 5 DDBDHN O=C1CC2(CN1)CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776589194 698123049 /nfs/dbraw/zinc/12/30/49/698123049.db2.gz QASLLYROGGUDRN-AWEZNQCLSA-N 0 3 319.361 1.230 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@@H](O)c1ccco1 ZINC000783910600 698891358 /nfs/dbraw/zinc/89/13/58/698891358.db2.gz WFUMKVQBGDWYTD-DGCLKSJQSA-N 0 3 322.317 1.251 20 5 DDBDHN CNc1c(C(=O)NCCN2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000783913973 698891632 /nfs/dbraw/zinc/89/16/32/698891632.db2.gz FHEWKSDZIQPGPM-NSHDSACASA-N 0 3 306.366 1.851 20 5 DDBDHN Nc1c(F)c(NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000785801482 699102644 /nfs/dbraw/zinc/10/26/44/699102644.db2.gz RENPUGLXZAKPHK-NXEZZACHSA-N 0 3 310.329 1.591 20 5 DDBDHN CC(C)(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000796583622 699940925 /nfs/dbraw/zinc/94/09/25/699940925.db2.gz GBSZSCBKEDUSJH-CQSZACIVSA-N 0 3 321.377 1.619 20 5 DDBDHN O=C(OCCn1cc([N+](=O)[O-])cn1)C1CCN(C2CC2)CC1 ZINC000801872680 700348983 /nfs/dbraw/zinc/34/89/83/700348983.db2.gz BSCMGWURABBXJC-UHFFFAOYSA-N 0 3 308.338 1.209 20 5 DDBDHN CCN(CC)CCS(=O)(=O)Oc1cccc(C)c1[N+](=O)[O-] ZINC000810058468 701717896 /nfs/dbraw/zinc/71/78/96/701717896.db2.gz RUGUWQRDFAGHHS-UHFFFAOYSA-N 0 3 316.379 1.954 20 5 DDBDHN CO[C@@H]1CC[C@H](C)N(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000879320872 706648725 /nfs/dbraw/zinc/64/87/25/706648725.db2.gz JSHBEQYEORECAY-MELADBBJSA-N 0 3 324.377 1.834 20 5 DDBDHN CC(COC(=O)CCc1nc(-c2ccsc2)no1)[N+](=O)[O-] ZINC000813105059 702293214 /nfs/dbraw/zinc/29/32/14/702293214.db2.gz UYDMPNRHKBWLGF-QMMMGPOBSA-N 0 3 311.319 1.939 20 5 DDBDHN CC(COC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)[N+](=O)[O-] ZINC000813108742 702295090 /nfs/dbraw/zinc/29/50/90/702295090.db2.gz AFGNUGVPJSOTNE-ONGXEEELSA-N 0 3 316.379 1.287 20 5 DDBDHN CC(COC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[N+](=O)[O-] ZINC000813108762 702295506 /nfs/dbraw/zinc/29/55/06/702295506.db2.gz LMCNXTSBVWSGBV-SECBINFHSA-N 0 3 320.261 1.603 20 5 DDBDHN CC(COC(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[N+](=O)[O-] ZINC000813113808 702297993 /nfs/dbraw/zinc/29/79/93/702297993.db2.gz JIMQYEZOLOEAOS-UWVGGRQHSA-N 0 3 315.347 1.402 20 5 DDBDHN CC(COC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[N+](=O)[O-] ZINC000813113378 702298313 /nfs/dbraw/zinc/29/83/13/702298313.db2.gz CTIZDBZCBGDDEA-VIFPVBQESA-N 0 3 320.261 1.603 20 5 DDBDHN CCS(=O)(=O)c1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813113544 702298346 /nfs/dbraw/zinc/29/83/46/702298346.db2.gz FRZVJODXRQIIJX-JTQLQIEISA-N 0 3 315.347 1.231 20 5 DDBDHN N[C@H](CC(F)F)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217766 706660106 /nfs/dbraw/zinc/66/01/06/706660106.db2.gz JZMRBXODRVRBGL-SECBINFHSA-N 0 3 307.684 1.847 20 5 DDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000843893517 702939095 /nfs/dbraw/zinc/93/90/95/702939095.db2.gz OGNNCZXIKKXBTD-ZWNOBZJWSA-N 0 3 307.325 1.818 20 5 DDBDHN Cc1c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nnn1C ZINC000845873514 703211315 /nfs/dbraw/zinc/21/13/15/703211315.db2.gz CZOHQWQQFZUAEL-RNCFNFMXSA-N 0 3 322.296 1.826 20 5 DDBDHN CC[C@H](C(=O)OCC(C)[N+](=O)[O-])N(C)C(=O)OC(C)(C)C ZINC000851037033 703775000 /nfs/dbraw/zinc/77/50/00/703775000.db2.gz PRJUELBHVOTJTF-NXEZZACHSA-N 0 3 304.343 1.840 20 5 DDBDHN CCO[C@@H]1C[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1OC ZINC000819228698 704090915 /nfs/dbraw/zinc/09/09/15/704090915.db2.gz XCNWSGCHXKYCAT-XQLPTFJDSA-N 0 3 310.350 1.410 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2cnc3n2CCCC3)c1 ZINC000819299514 704103453 /nfs/dbraw/zinc/10/34/53/704103453.db2.gz YYYVADIEKHMOPC-OAHLLOKOSA-N 0 3 316.361 1.951 20 5 DDBDHN COc1c(C(=O)N2CC[C@H]3[C@H]2CCCN3C)cccc1[N+](=O)[O-] ZINC000874830376 705189158 /nfs/dbraw/zinc/18/91/58/705189158.db2.gz RGOXYZHZWPMWFB-QWHCGFSZSA-N 0 3 319.361 1.912 20 5 DDBDHN COc1cc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)ccc1[N+](=O)[O-] ZINC000874840450 705196129 /nfs/dbraw/zinc/19/61/29/705196129.db2.gz OBJVCMICRZAPKI-STQMWFEESA-N 0 3 319.361 1.912 20 5 DDBDHN Cc1ccc(CNC(=O)N2CCCN(C)CC2)cc1[N+](=O)[O-] ZINC000876170339 705647624 /nfs/dbraw/zinc/64/76/24/705647624.db2.gz ABQAPRRHHBFEBW-UHFFFAOYSA-N 0 3 306.366 1.750 20 5 DDBDHN CC(C)(O)CN1CC[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000865659273 706490160 /nfs/dbraw/zinc/49/01/60/706490160.db2.gz KNBYNLJEBYKTDJ-LBPRGKRZSA-N 0 3 311.357 1.669 20 5 DDBDHN CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@H]1CN2CCC1CC2 ZINC000865713684 706503879 /nfs/dbraw/zinc/50/38/79/706503879.db2.gz SSQOQWWSUMISJT-AWEZNQCLSA-N 0 3 321.352 1.829 20 5 DDBDHN COC[C@H](C)OC[C@H](O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000872230947 707339626 /nfs/dbraw/zinc/33/96/26/707339626.db2.gz ASBARUGRHANRIS-GXTWGEPZSA-N 0 3 312.366 1.405 20 5 DDBDHN Cc1ccc(CNC[C@@H](O)C[C@@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000872231535 707340264 /nfs/dbraw/zinc/34/02/64/707340264.db2.gz MKLLOCLYPHDGLS-GOEBONIOSA-N 0 3 308.378 1.905 20 5 DDBDHN Cc1cc(F)cc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000836847729 707529361 /nfs/dbraw/zinc/52/93/61/707529361.db2.gz CPKNRGABUXZECK-MFKMUULPSA-N 0 3 307.325 1.818 20 5 DDBDHN CN1CCN(CCNc2ccnc(F)c2[N+](=O)[O-])CC1(C)C ZINC000882314388 707580048 /nfs/dbraw/zinc/58/00/48/707580048.db2.gz SREIZWKHHZEJMQ-UHFFFAOYSA-N 0 3 311.361 1.567 20 5 DDBDHN CC(C)N1CCCC[C@H]1COC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000837613342 707695815 /nfs/dbraw/zinc/69/58/15/707695815.db2.gz UFMKNMFONYSEES-NSHDSACASA-N 0 3 322.365 1.992 20 5 DDBDHN CN(CCNc1ccc(F)cc1[N+](=O)[O-])CCOCCO ZINC000882951955 707868745 /nfs/dbraw/zinc/86/87/45/707868745.db2.gz CRZFMIPKYQZROW-UHFFFAOYSA-N 0 3 301.318 1.087 20 5 DDBDHN COc1cccc(N2CC[C@@H]3[C@@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC000897222342 708260001 /nfs/dbraw/zinc/26/00/01/708260001.db2.gz UQGGXSVURIMMGA-OLZOCXBDSA-N 0 3 321.377 1.639 20 5 DDBDHN CN(CCO)CCN(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000912599001 713042304 /nfs/dbraw/zinc/04/23/04/713042304.db2.gz NASPHADSEJRKQW-LSDHHAIUSA-N 0 3 321.377 1.081 20 5 DDBDHN O=C1C[C@@H]([C@@H]2CCCCN2Cc2cccnc2[N+](=O)[O-])CN1 ZINC000886098677 708697947 /nfs/dbraw/zinc/69/79/47/708697947.db2.gz PKHFKEMSRIYGQE-OLZOCXBDSA-N 0 3 304.350 1.480 20 5 DDBDHN CCOc1ccc([C@@H](C)NCCN2CCNC2=O)cc1[N+](=O)[O-] ZINC000886743294 708832543 /nfs/dbraw/zinc/83/25/43/708832543.db2.gz ZTPWHGUBTOJJKN-LLVKDONJSA-N 0 3 322.365 1.669 20 5 DDBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)CCO ZINC000899741445 709185793 /nfs/dbraw/zinc/18/57/93/709185793.db2.gz XXCGPYKPASDRRP-VAWYXSNFSA-N 0 3 307.350 1.038 20 5 DDBDHN CCN1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910281812 709863713 /nfs/dbraw/zinc/86/37/13/709863713.db2.gz DWXGYGHNGRZSEO-NSHDSACASA-N 0 3 306.366 1.733 20 5 DDBDHN C[C@@]1(NC(=O)COc2ccc([N+](=O)[O-])cc2)CN2CCC1CC2 ZINC000892799346 710501843 /nfs/dbraw/zinc/50/18/43/710501843.db2.gz NJSHGDRYVGEPJS-MRXNPFEDSA-N 0 3 319.361 1.574 20 5 DDBDHN CCOc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928452604 713203465 /nfs/dbraw/zinc/20/34/65/713203465.db2.gz NFAFISGKRFEFLQ-JQWIXIFHSA-N 0 3 307.350 1.816 20 5 DDBDHN O=C(NCCN1CCCC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929461210 713615262 /nfs/dbraw/zinc/61/52/62/713615262.db2.gz GHYACIMYXHBMTN-HUUCEWRRSA-N 0 3 303.362 1.910 20 5 DDBDHN O=C(NCCN1CCCC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929461201 713615336 /nfs/dbraw/zinc/61/53/36/713615336.db2.gz GHYACIMYXHBMTN-CABCVRRESA-N 0 3 303.362 1.910 20 5 DDBDHN C[C@@H]1COC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000932494758 714346603 /nfs/dbraw/zinc/34/66/03/714346603.db2.gz QUUGWLWEMKGCHE-MFKMUULPSA-N 0 3 305.334 1.108 20 5 DDBDHN CN(CCO)CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000924996903 714721012 /nfs/dbraw/zinc/72/10/12/714721012.db2.gz CBPYZXJGCVYSBH-UHFFFAOYSA-N 0 3 319.720 1.041 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000925317532 714806904 /nfs/dbraw/zinc/80/69/04/714806904.db2.gz MCKAOCIKYMURRK-YPMHNXCESA-N 0 3 306.366 1.829 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000935663223 715112728 /nfs/dbraw/zinc/11/27/28/715112728.db2.gz PTQBLFVXBLGYAW-CYBMUJFWSA-N 0 3 321.381 1.233 20 5 DDBDHN Cc1c(CN[C@H](C)[C@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC001120040843 758199347 /nfs/dbraw/zinc/19/93/47/758199347.db2.gz PWSMXUJXVKSHKC-YPMHNXCESA-N 0 3 312.391 1.816 20 5 DDBDHN CC(C)N(C)CC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001110158550 775939239 /nfs/dbraw/zinc/93/92/39/775939239.db2.gz KOZZPINYNSAJBE-UHFFFAOYSA-N 0 3 320.393 1.996 20 5 DDBDHN O=C1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCN1 ZINC001172906395 776916821 /nfs/dbraw/zinc/91/68/21/776916821.db2.gz XQBSTTHIZSYPLK-AWEZNQCLSA-N 0 3 303.362 1.664 20 5 DDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC2(C1)CCN(C)C2=O ZINC001173237733 777075509 /nfs/dbraw/zinc/07/55/09/777075509.db2.gz LOLNFTNIULQSSI-LBPRGKRZSA-N 0 3 303.362 1.690 20 5 DDBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC001155035231 861663119 /nfs/dbraw/zinc/66/31/19/861663119.db2.gz AQTCXCSFDISJIF-UHFFFAOYSA-N 0 3 309.351 1.289 20 5 DDBDHN CSc1nc(Cl)c([N+](=O)[O-])c(-n2nc(CN)cc2C)n1 ZINC001156038355 862657840 /nfs/dbraw/zinc/65/78/40/862657840.db2.gz NQYOJNHVNZUGSP-UHFFFAOYSA-N 0 3 314.758 1.713 20 5 DDBDHN Cc1nc(N2CCNC[C@@H]2c2cccs2)ncc1[N+](=O)[O-] ZINC001156119464 862734812 /nfs/dbraw/zinc/73/48/12/862734812.db2.gz BGPSVVWSOZPROC-LLVKDONJSA-N 0 3 305.363 1.906 20 5 DDBDHN CCN1C[C@@H](NC(=O)c2ccnc(NC)c2[N+](=O)[O-])C(C)(C)C1 ZINC001156837419 863383221 /nfs/dbraw/zinc/38/32/21/863383221.db2.gz UGBDMTKTINKLLG-LLVKDONJSA-N 0 3 321.381 1.492 20 5 DDBDHN NCc1nn(-c2nc(Cl)ncc2[N+](=O)[O-])c2ccccc12 ZINC001156855821 863399888 /nfs/dbraw/zinc/39/98/88/863399888.db2.gz HVTRULLQONIJES-UHFFFAOYSA-N 0 3 304.697 1.836 20 5 DDBDHN COc1cc(C)nc(N2C[C@H]3CCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157266357 863695494 /nfs/dbraw/zinc/69/54/94/863695494.db2.gz RBEHOKKRAQEZAW-VXGBXAGGSA-N 0 3 306.366 1.837 20 5 DDBDHN C[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1CNCCO1 ZINC001159496836 865347077 /nfs/dbraw/zinc/34/70/77/865347077.db2.gz LBQVXFPOQUORHW-NOZJJQNGSA-N 0 3 303.322 1.327 20 5 DDBDHN Cc1cc(Cl)nc(N[C@H](C)[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159499695 865355085 /nfs/dbraw/zinc/35/50/85/865355085.db2.gz UYPMPPVSLOVATO-BDAKNGLRSA-N 0 3 300.746 1.740 20 5 DDBDHN COc1cc(N[C@H]2CCCC[C@@]23CNCCO3)cnc1[N+](=O)[O-] ZINC001163649724 868592122 /nfs/dbraw/zinc/59/21/22/868592122.db2.gz AQBUFXZIFVBQFK-DZGCQCFKSA-N 0 3 322.365 1.712 20 5 DDBDHN CCOC(=O)c1ccnc(N2CC(C)(N(C)C)C2)c1[N+](=O)[O-] ZINC001165122366 869391925 /nfs/dbraw/zinc/39/19/25/869391925.db2.gz XXQNLFPXORICTE-UHFFFAOYSA-N 0 3 308.338 1.307 20 5 DDBDHN CCCC1(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001166077223 869829812 /nfs/dbraw/zinc/82/98/12/869829812.db2.gz KBXAZOLITHBEKN-UHFFFAOYSA-N 0 3 323.397 1.505 20 5 DDBDHN COC(=O)c1cc(OC)c(OC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001226432155 882429796 /nfs/dbraw/zinc/42/97/96/882429796.db2.gz YVWAFOJGUUSRNE-UHFFFAOYSA-N 0 3 324.333 1.863 20 5 DDBDHN N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC001340659557 871264239 /nfs/dbraw/zinc/26/42/39/871264239.db2.gz HDWDBSGBOPZFHI-AAVRWANBSA-N 0 3 307.325 1.596 20 5 DDBDHN CC(C)CC(=O)N1CCCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC001344807983 873127122 /nfs/dbraw/zinc/12/71/22/873127122.db2.gz NAGNWAUFFOMTJS-VXGBXAGGSA-N 0 3 300.355 1.622 20 5 DDBDHN CC[C@H](C)N1CCN(c2nnc(C[N+](=O)[O-])n2CC2CC2)CC1 ZINC001348144903 874378626 /nfs/dbraw/zinc/37/86/26/874378626.db2.gz HYSJTNXJVDAFBW-LBPRGKRZSA-N 0 3 322.413 1.385 20 5 DDBDHN Nc1ncc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC001300131226 876970575 /nfs/dbraw/zinc/97/05/75/876970575.db2.gz ODWSCNNCXSVDSC-RYUDHWBXSA-N 0 3 319.365 1.319 20 5 DDBDHN O=C1NCCC12CCN(Cc1cc(F)ccc1[N+](=O)[O-])CC2 ZINC001352941375 877026648 /nfs/dbraw/zinc/02/66/48/877026648.db2.gz LJKTXYBCPOXADW-UHFFFAOYSA-N 0 3 307.325 1.836 20 5 DDBDHN CCN1CC[C@H](O[C@H](C(=O)OC)c2ccccc2[N+](=O)[O-])C1 ZINC001223641643 881037526 /nfs/dbraw/zinc/03/75/26/881037526.db2.gz BWAWFJWQFFSOLE-FZMZJTMJSA-N 0 3 308.334 1.920 20 5 DDBDHN C[C@@]1(N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCS(=O)(=O)C1 ZINC001254578808 896511485 /nfs/dbraw/zinc/51/14/85/896511485.db2.gz NWABGOASHSSOBA-GXTWGEPZSA-N 0 3 310.375 1.229 20 5 DDBDHN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000162807249 197593081 /nfs/dbraw/zinc/59/30/81/197593081.db2.gz IQXDGRQOCSKJBO-AAEUAGOBSA-N 0 3 319.361 1.499 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](O)CC1 ZINC000293025980 282361287 /nfs/dbraw/zinc/36/12/87/282361287.db2.gz FVSVUIIQRSXRBT-QWHCGFSZSA-N 0 3 310.350 1.181 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000330918570 232161449 /nfs/dbraw/zinc/16/14/49/232161449.db2.gz XMDBFEPJPFLFJU-VXGBXAGGSA-N 0 3 307.350 1.573 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000286853142 219195865 /nfs/dbraw/zinc/19/58/65/219195865.db2.gz BISIYSZZJTXMNF-ZETCQYMHSA-N 0 3 309.351 1.279 20 5 DDBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C1(CO)CCOCC1 ZINC000616828677 362836736 /nfs/dbraw/zinc/83/67/36/362836736.db2.gz CXEVTXHMGZPWED-UHFFFAOYSA-N 0 3 321.333 1.709 20 5 DDBDHN CC[C@@]1(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCOC1 ZINC000616866110 362854110 /nfs/dbraw/zinc/85/41/10/362854110.db2.gz OLUZSEYQMCMCNM-MRXNPFEDSA-N 0 3 319.361 1.643 20 5 DDBDHN O=C1NC(CC(F)(F)F)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000277201010 213361287 /nfs/dbraw/zinc/36/12/87/213361287.db2.gz DTINRZCGWNJARU-QMMMGPOBSA-N 0 3 303.196 1.972 20 5 DDBDHN COCCN1CC[C@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000491559440 234202747 /nfs/dbraw/zinc/20/27/47/234202747.db2.gz ALRYNXZWEOXSGJ-AFNCTOJWSA-N 0 3 319.361 1.445 20 5 DDBDHN Cc1cnc(N(C)CCCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000078662072 353527379 /nfs/dbraw/zinc/52/73/79/353527379.db2.gz GJWWZIYLPMZBGC-UHFFFAOYSA-N 0 3 307.398 1.372 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@@H](O)[C@@H](O)C3)s2)cc1 ZINC000093483525 353901688 /nfs/dbraw/zinc/90/16/88/353901688.db2.gz UQKGWDYLRUQTNG-OKILXGFUSA-N 0 3 320.370 1.861 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588863024 354944547 /nfs/dbraw/zinc/94/45/47/354944547.db2.gz NYGMJSNDNLUBLN-UONOGXRCSA-N 0 3 319.361 1.184 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC000588966438 354952560 /nfs/dbraw/zinc/95/25/60/354952560.db2.gz ZIMUGFGVIKAJEX-DOMZBBRYSA-N 0 3 310.350 1.039 20 5 DDBDHN Cc1cc(OCC(=O)N2CC[C@H]3CN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590045784 355043465 /nfs/dbraw/zinc/04/34/65/355043465.db2.gz WDLCLIMWJLGGEL-WFASDCNBSA-N 0 3 319.361 1.445 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C1 ZINC000590441781 355095509 /nfs/dbraw/zinc/09/55/09/355095509.db2.gz FCGFGKYRIZNOIE-BXKDBHETSA-N 0 3 319.317 1.100 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590443362 355097904 /nfs/dbraw/zinc/09/79/04/355097904.db2.gz IMZHFRHEEDPNJG-BXUZGUMPSA-N 0 3 305.334 1.136 20 5 DDBDHN C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000590452373 355100475 /nfs/dbraw/zinc/10/04/75/355100475.db2.gz BNIRHWZXANYHLC-SNVBAGLBSA-N 0 3 307.354 1.264 20 5 DDBDHN Cc1cc(NC[C@@H]2CCCNC2=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000591183122 355261737 /nfs/dbraw/zinc/26/17/37/355261737.db2.gz LLBOHTABTWAYJD-NSHDSACASA-N 0 3 314.345 1.811 20 5 DDBDHN CCC[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccn1 ZINC000591734510 355374948 /nfs/dbraw/zinc/37/49/48/355374948.db2.gz IJWMIWFACWXQJW-ZIAGYGMSSA-N 0 3 319.365 1.678 20 5 DDBDHN CC1(C)CNCCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000591678545 355360064 /nfs/dbraw/zinc/36/00/64/355360064.db2.gz XBNWOHVBAIGALN-UHFFFAOYSA-N 0 3 307.306 1.148 20 5 DDBDHN CN(CC(=O)N1CCNCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000591678546 355360394 /nfs/dbraw/zinc/36/03/94/355360394.db2.gz XGBIWOGOZMMBFX-UHFFFAOYSA-N 0 3 306.366 1.241 20 5 DDBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1c(F)cccc1[N+](=O)[O-] ZINC000591986926 355453747 /nfs/dbraw/zinc/45/37/47/355453747.db2.gz YVXWVNJMHRGESQ-JTQLQIEISA-N 0 3 310.329 1.290 20 5 DDBDHN CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000593070265 355786450 /nfs/dbraw/zinc/78/64/50/355786450.db2.gz VYTWCBRCFGPTNF-GJZGRUSLSA-N 0 3 324.377 1.835 20 5 DDBDHN CN(CCN1CCCCC1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000593515371 355910124 /nfs/dbraw/zinc/91/01/24/355910124.db2.gz GTRUUWIVWHQFSF-UHFFFAOYSA-N 0 3 306.366 1.616 20 5 DDBDHN CN(CCN1CCCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000593883997 356040994 /nfs/dbraw/zinc/04/09/94/356040994.db2.gz PTMCTFQXPFDRSC-UHFFFAOYSA-N 0 3 324.356 1.874 20 5 DDBDHN C[C@H](O)CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594063570 356103946 /nfs/dbraw/zinc/10/39/46/356103946.db2.gz IGXQALUFLNGGLL-WCQYABFASA-N 0 3 310.350 1.180 20 5 DDBDHN COc1cccc(C(=O)N[C@H](CN)C(F)(F)F)c1[N+](=O)[O-] ZINC000594451152 356221737 /nfs/dbraw/zinc/22/17/37/356221737.db2.gz MSVLBKFJWVSWSK-MRVPVSSYSA-N 0 3 307.228 1.223 20 5 DDBDHN Nc1c(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594419173 356204559 /nfs/dbraw/zinc/20/45/59/356204559.db2.gz OJMRLSQAHZWMIK-STQMWFEESA-N 0 3 318.377 1.924 20 5 DDBDHN Nc1c(C(=O)N2CCNC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000594629005 356269574 /nfs/dbraw/zinc/26/95/74/356269574.db2.gz VDHDAKOCODNAMR-UHFFFAOYSA-N 0 3 318.377 1.925 20 5 DDBDHN COc1cc(C[NH2+]C[C@@H](CO)CC2CC2)c([N+](=O)[O-])cc1[O-] ZINC000594981918 356367434 /nfs/dbraw/zinc/36/74/34/356367434.db2.gz CDKOWWNWGAVYBL-NSHDSACASA-N 0 3 310.350 1.807 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)CN1CCOCC1 ZINC000595013723 356371894 /nfs/dbraw/zinc/37/18/94/356371894.db2.gz RVAXBQZSETVYCC-OLZOCXBDSA-N 0 3 323.393 1.975 20 5 DDBDHN C[C@H](NC[C@@]1(OCCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595078209 356378760 /nfs/dbraw/zinc/37/87/60/356378760.db2.gz MVYXKAKWNRVNLJ-WFASDCNBSA-N 0 3 310.350 1.413 20 5 DDBDHN C[NH2+]C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000595121928 356386082 /nfs/dbraw/zinc/38/60/82/356386082.db2.gz OAUKCAOHUXRHLD-SSDOTTSWSA-N 0 3 307.759 1.134 20 5 DDBDHN O=C(C[C@@H]1NCc2ccccc21)NCCn1cc([N+](=O)[O-])cn1 ZINC000595251864 356418854 /nfs/dbraw/zinc/41/88/54/356418854.db2.gz YNBBWEUNWZLROJ-AWEZNQCLSA-N 0 3 315.333 1.142 20 5 DDBDHN COC[C@H](CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000595370248 356468285 /nfs/dbraw/zinc/46/82/85/356468285.db2.gz FYIHJIZBXWPYNJ-AAEUAGOBSA-N 0 3 310.354 1.137 20 5 DDBDHN CC[C@H](C)[C@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000237011555 202122099 /nfs/dbraw/zinc/12/20/99/202122099.db2.gz JKSBZNFYNNBZHD-WFASDCNBSA-N 0 3 320.393 1.617 20 5 DDBDHN C[C@]12COC[C@@H]1CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000595758441 356639453 /nfs/dbraw/zinc/63/94/53/356639453.db2.gz MYBJAFYYLDLOPZ-ZENOOKHLSA-N 0 3 322.361 1.303 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000598343861 357546424 /nfs/dbraw/zinc/54/64/24/357546424.db2.gz WYEAXESMVXJHCR-SNVBAGLBSA-N 0 3 309.370 1.655 20 5 DDBDHN C[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000598643498 357666303 /nfs/dbraw/zinc/66/63/03/357666303.db2.gz LMUYIPKAVOKOKM-NFAWXSAZSA-N 0 3 324.377 1.285 20 5 DDBDHN CC(C)[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCN1 ZINC000598571263 357636010 /nfs/dbraw/zinc/63/60/10/357636010.db2.gz IRIHHNQOCQKFHC-ZDUSSCGKSA-N 0 3 306.366 1.463 20 5 DDBDHN Cc1cc(NC[C@@H](O)[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000599131716 357824883 /nfs/dbraw/zinc/82/48/83/357824883.db2.gz BDEVOHNTQIVHNA-CVEARBPZSA-N 0 3 317.345 1.825 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCN1CC[C@H](O)C1)CCC2 ZINC000599092068 357813534 /nfs/dbraw/zinc/81/35/34/357813534.db2.gz DVSJKNBTEGGDRS-HOCLYGCPSA-N 0 3 305.378 1.628 20 5 DDBDHN O=C(NCCN1CCCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180470457 199163058 /nfs/dbraw/zinc/16/30/58/199163058.db2.gz ICWVECNQKIRLTF-UHFFFAOYSA-N 0 3 321.333 1.539 20 5 DDBDHN CN1CCC[C@@H]1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601109810 358405241 /nfs/dbraw/zinc/40/52/41/358405241.db2.gz ZPXLFDRYGWENPJ-SSDOTTSWSA-N 0 3 307.276 1.853 20 5 DDBDHN CN1CCN(CCCCNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601103526 358403586 /nfs/dbraw/zinc/40/35/86/358403586.db2.gz CHPGKQSDWKUZNV-UHFFFAOYSA-N 0 3 311.361 1.568 20 5 DDBDHN CC[C@](C)(CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OC ZINC000602439881 358977900 /nfs/dbraw/zinc/97/79/00/358977900.db2.gz PZXVSGCPZSPMIT-OAHLLOKOSA-N 0 3 308.382 1.927 20 5 DDBDHN O=[N+]([O-])c1ccn(C2CCN(CCc3cnccn3)CC2)n1 ZINC000602816907 359212381 /nfs/dbraw/zinc/21/23/81/359212381.db2.gz FVWQBJMJGPHRAV-UHFFFAOYSA-N 0 3 302.338 1.461 20 5 DDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602938986 359307308 /nfs/dbraw/zinc/30/73/08/359307308.db2.gz ZSBZFHCTLPYWRT-GTTSAUCSSA-N 0 3 317.345 1.640 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCN(C)C2CC2)c1 ZINC000281165624 216124250 /nfs/dbraw/zinc/12/42/50/216124250.db2.gz IMMLQCCNDJZICP-UHFFFAOYSA-N 0 3 321.377 1.883 20 5 DDBDHN COc1ccc(CNC[C@@H]2CNc3ccnn3C2)cc1[N+](=O)[O-] ZINC000609406685 360304283 /nfs/dbraw/zinc/30/42/83/360304283.db2.gz HRQYWDQGGDXEHS-GFCCVEGCSA-N 0 3 317.349 1.631 20 5 DDBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000359018713 299307778 /nfs/dbraw/zinc/30/77/78/299307778.db2.gz MVIHXQXZNOQYSK-TXEJJXNPSA-N 0 3 321.381 1.796 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000611104327 360624304 /nfs/dbraw/zinc/62/43/04/360624304.db2.gz PSLSRBWWXQVMLE-ZDUSSCGKSA-N 0 3 323.397 1.410 20 5 DDBDHN C[C@@H](NC(=O)[C@H]1CN2CCN1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000611201349 360657386 /nfs/dbraw/zinc/65/73/86/360657386.db2.gz UAPCPWTVCHOIQV-IUODEOHRSA-N 0 3 318.377 1.162 20 5 DDBDHN CC[C@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281287259 216212368 /nfs/dbraw/zinc/21/23/68/216212368.db2.gz GTLNBITZTVPLCQ-GJZGRUSLSA-N 0 3 324.377 1.835 20 5 DDBDHN COc1ccc(NC(=O)N[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000611826381 360835766 /nfs/dbraw/zinc/83/57/66/360835766.db2.gz HLKOQLWWOSHWHQ-LLVKDONJSA-N 0 3 308.338 1.819 20 5 DDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000618924302 363804205 /nfs/dbraw/zinc/80/42/05/363804205.db2.gz WVRKLGDXGQPDSC-HNNXBMFYSA-N 0 3 307.350 1.124 20 5 DDBDHN COc1c(C(=O)N[C@@H]2CCN(CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000619435625 364007776 /nfs/dbraw/zinc/00/77/76/364007776.db2.gz MCYGHVBJDRQVDH-GFCCVEGCSA-N 0 3 319.361 1.818 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000264612468 204027237 /nfs/dbraw/zinc/02/72/37/204027237.db2.gz PGJKRFZKPASXKK-LLVKDONJSA-N 0 3 323.397 1.875 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2CCCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000264707382 204092383 /nfs/dbraw/zinc/09/23/83/204092383.db2.gz YAQOMICMJMDOBW-UHFFFAOYSA-N 0 3 323.397 1.827 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2CCCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000264707382 204092385 /nfs/dbraw/zinc/09/23/85/204092385.db2.gz YAQOMICMJMDOBW-UHFFFAOYSA-N 0 3 323.397 1.827 20 5 DDBDHN CC[C@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CCN1C[C@H](C)O ZINC000266392095 205314342 /nfs/dbraw/zinc/31/43/42/205314342.db2.gz OEAXAAZFFRTDEK-STQMWFEESA-N 0 3 323.393 1.885 20 5 DDBDHN C[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000274042313 211299806 /nfs/dbraw/zinc/29/98/06/211299806.db2.gz ORNJLDWOWZEJMU-RKDXNWHRSA-N 0 3 315.757 1.793 20 5 DDBDHN Cc1c(CN2CCO[C@H]3CCN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000284471383 218040114 /nfs/dbraw/zinc/04/01/14/218040114.db2.gz AGLHBCNXDNPPAF-HOTGVXAUSA-N 0 3 305.378 1.808 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000341009067 251334147 /nfs/dbraw/zinc/33/41/47/251334147.db2.gz AHJGRHFAVIKMMT-DGCLKSJQSA-N 0 3 306.366 1.877 20 5 DDBDHN COCCN(C)CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341092530 251377309 /nfs/dbraw/zinc/37/73/09/251377309.db2.gz PTRXHEHILUJWQJ-UHFFFAOYSA-N 0 3 324.381 1.015 20 5 DDBDHN CN(C)CCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294308230 223962070 /nfs/dbraw/zinc/96/20/70/223962070.db2.gz XQVYWWQCDDVPER-UHFFFAOYSA-N 0 3 303.322 1.276 20 5 DDBDHN COc1ccc(CNC(=O)[C@H](C(C)C)N(C)C)cc1[N+](=O)[O-] ZINC000269232996 207357273 /nfs/dbraw/zinc/35/72/73/207357273.db2.gz YGRVTTVVBYPTNO-AWEZNQCLSA-N 0 3 309.366 1.806 20 5 DDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC(=O)NC1CC1 ZINC000459551014 533446067 /nfs/dbraw/zinc/44/60/67/533446067.db2.gz LJZDNUIDKWASDC-JTQLQIEISA-N 0 3 320.349 1.180 20 5 DDBDHN COc1ccc(CNCCN2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000451221495 533662922 /nfs/dbraw/zinc/66/29/22/533662922.db2.gz JOZROQLYHMIYLN-OKILXGFUSA-N 0 3 321.377 1.556 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CC[NH3+])cc1C ZINC000336836574 291992516 /nfs/dbraw/zinc/99/25/16/291992516.db2.gz WYNOHIHQUMOQIO-JTQLQIEISA-N 0 3 301.368 1.227 20 5 DDBDHN C[C@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000353511967 285777825 /nfs/dbraw/zinc/77/78/25/285777825.db2.gz BXQMNSFPYRNQRZ-IUODEOHRSA-N 0 3 317.393 1.957 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCc1ccco1 ZINC000569594452 304367557 /nfs/dbraw/zinc/36/75/57/304367557.db2.gz AMAVMFZMFPPRDN-GFCCVEGCSA-N 0 3 306.318 1.760 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC2(CN(C)C)CCC2)c1 ZINC000281014818 286381567 /nfs/dbraw/zinc/38/15/67/286381567.db2.gz FUANFVMKJISHOV-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN CCN(CCCNCc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000038035482 406997821 /nfs/dbraw/zinc/99/78/21/406997821.db2.gz LCGDXDKGEZVPQC-UHFFFAOYSA-N 0 3 315.395 1.356 20 5 DDBDHN CN(C)Cc1cccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000052611217 407153744 /nfs/dbraw/zinc/15/37/44/407153744.db2.gz DPFCRRBPNOJZIX-UHFFFAOYSA-N 0 3 317.349 1.169 20 5 DDBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCO2 ZINC000090539699 407169294 /nfs/dbraw/zinc/16/92/94/407169294.db2.gz FNWLMXDOYDCKLM-JTQLQIEISA-N 0 3 304.306 1.871 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000055209808 407198376 /nfs/dbraw/zinc/19/83/76/407198376.db2.gz ATSBKNSUSSREGL-CYBMUJFWSA-N 0 3 320.393 1.997 20 5 DDBDHN CC(C)(CNCc1ccc([N+](=O)[O-])cc1)NS(C)(=O)=O ZINC000067005799 407266006 /nfs/dbraw/zinc/26/60/06/407266006.db2.gz HVVBMXKPQRCDAK-UHFFFAOYSA-N 0 3 301.368 1.012 20 5 DDBDHN CCN1CCCC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000067706303 407280834 /nfs/dbraw/zinc/28/08/34/407280834.db2.gz RWKHBHNAMKGTMN-OAHLLOKOSA-N 0 3 320.393 1.997 20 5 DDBDHN CN(CC1CCN(C)CC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000103453549 407339991 /nfs/dbraw/zinc/33/99/91/407339991.db2.gz APUBVKGWGXAXGW-UHFFFAOYSA-N 0 3 321.377 1.774 20 5 DDBDHN CC[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N(C)C ZINC000124496346 407360120 /nfs/dbraw/zinc/36/01/20/407360120.db2.gz DZZHPKMPXJAVST-CYBMUJFWSA-N 0 3 320.393 1.584 20 5 DDBDHN Cc1c(NC(=O)CCN(C)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000106882098 407365095 /nfs/dbraw/zinc/36/50/95/407365095.db2.gz IJFCKPXCOALEPL-GFCCVEGCSA-N 0 3 307.350 1.953 20 5 DDBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CCn1cccn1 ZINC000111282448 407406165 /nfs/dbraw/zinc/40/61/65/407406165.db2.gz QVFIXMKMROGWEP-UHFFFAOYSA-N 0 3 317.349 1.752 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000112924239 407447420 /nfs/dbraw/zinc/44/74/20/407447420.db2.gz SJUBYGVDMPESJT-OAHLLOKOSA-N 0 3 320.393 1.997 20 5 DDBDHN CN1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C(C)(C)C1 ZINC000270999550 407461706 /nfs/dbraw/zinc/46/17/06/407461706.db2.gz VTQXHJLJXVVJBA-UHFFFAOYSA-N 0 3 317.349 1.637 20 5 DDBDHN CCCN1CCC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000128942471 407584334 /nfs/dbraw/zinc/58/43/34/407584334.db2.gz CVXOKHYUZUHOFG-HNNXBMFYSA-N 0 3 320.393 1.997 20 5 DDBDHN CN(C)C[C@@](C)(O)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000152499044 407644584 /nfs/dbraw/zinc/64/45/84/407644584.db2.gz WCBCRDSLQQTCLR-KIUWMYQTSA-N 0 3 307.350 1.037 20 5 DDBDHN Cc1cc(C(=O)N(C)C[C@H]2CCCN(C)C2)c(N)c([N+](=O)[O-])c1 ZINC000115716739 407703731 /nfs/dbraw/zinc/70/37/31/407703731.db2.gz INYNIVYQRYDGIA-LBPRGKRZSA-N 0 3 320.393 1.899 20 5 DDBDHN COCCN(CCc1ccccc1)CCn1ccc([N+](=O)[O-])n1 ZINC000267059756 407733288 /nfs/dbraw/zinc/73/32/88/407733288.db2.gz IGKUWFXALXYBCH-UHFFFAOYSA-N 0 3 318.377 1.982 20 5 DDBDHN CN(C)C[C@@](C)(O)CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000153390427 407815754 /nfs/dbraw/zinc/81/57/54/407815754.db2.gz KIZKSZLNXJEZMG-HVHJFMEUSA-N 0 3 307.350 1.037 20 5 DDBDHN CC[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(C)noc1C ZINC000182394394 306704387 /nfs/dbraw/zinc/70/43/87/306704387.db2.gz UAPLUPYQMXEJBV-QWHCGFSZSA-N 0 3 323.353 1.498 20 5 DDBDHN COC[C@H](O)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000117946609 407872526 /nfs/dbraw/zinc/87/25/26/407872526.db2.gz XLPPBPQXLUZBHM-CYBMUJFWSA-N 0 3 306.318 1.952 20 5 DDBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCC[C@@H](N2CCCC2)C1 ZINC000153670325 407874047 /nfs/dbraw/zinc/87/40/47/407874047.db2.gz NGBBIDHWLUGIHK-LLVKDONJSA-N 0 3 307.354 1.408 20 5 DDBDHN CC(C)CN1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153681723 407877359 /nfs/dbraw/zinc/87/73/59/407877359.db2.gz RBKDXSDAIJZYCG-MRXNPFEDSA-N 0 3 307.394 1.902 20 5 DDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)N1CCC(C)CC1 ZINC000180550848 407897434 /nfs/dbraw/zinc/89/74/34/407897434.db2.gz RNHCQVHYLMXDMS-NSHDSACASA-N 0 3 321.381 1.422 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272596231 408001859 /nfs/dbraw/zinc/00/18/59/408001859.db2.gz IMISXLNLOUTTKI-HZMBPMFUSA-N 0 3 304.350 1.343 20 5 DDBDHN C[C@H](O)[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182492252 408177837 /nfs/dbraw/zinc/17/78/37/408177837.db2.gz LZPBWQMQNGGYDP-AVGNSLFASA-N 0 3 310.350 1.037 20 5 DDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC(=O)N(C)C1 ZINC000268884484 408214028 /nfs/dbraw/zinc/21/40/28/408214028.db2.gz WUAPHLDNJQFLGR-PWSUYJOCSA-N 0 3 320.349 1.132 20 5 DDBDHN Cc1[nH+]ccn1CCNC(=O)c1[n-]nc(C(C)C)c1[N+](=O)[O-] ZINC000269323557 408268281 /nfs/dbraw/zinc/26/82/81/408268281.db2.gz CEZZPQZTVODQFM-UHFFFAOYSA-N 0 3 306.326 1.376 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(CC3(O)CCOCC3)CC2)cc1 ZINC000269334113 408272537 /nfs/dbraw/zinc/27/25/37/408272537.db2.gz AKBDGOYEAKQSHV-UHFFFAOYSA-N 0 3 321.377 1.258 20 5 DDBDHN CC(C)C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)N(C)C ZINC000176654901 408413400 /nfs/dbraw/zinc/41/34/00/408413400.db2.gz OVXXENROURIAQB-LLVKDONJSA-N 0 3 308.382 1.883 20 5 DDBDHN CCN1CCC[C@H]1CN(C)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000177001288 408494902 /nfs/dbraw/zinc/49/49/02/408494902.db2.gz VOLLBBZBLOSHEZ-LBPRGKRZSA-N 0 3 309.370 1.042 20 5 DDBDHN CN(C)[C@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000264404749 408476395 /nfs/dbraw/zinc/47/63/95/408476395.db2.gz KIYYIJRJRSKKGL-LBPRGKRZSA-N 0 3 307.350 1.526 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@]2(CCOC2)C1 ZINC000248466318 408574232 /nfs/dbraw/zinc/57/42/32/408574232.db2.gz SEJHFPFMMJRKGZ-XJKSGUPXSA-N 0 3 322.361 1.447 20 5 DDBDHN CN1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000193540405 408725311 /nfs/dbraw/zinc/72/53/11/408725311.db2.gz PQQULTCLBSJAPP-UHFFFAOYSA-N 0 3 304.350 1.621 20 5 DDBDHN C[C@H](O)CN1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000249512745 408735138 /nfs/dbraw/zinc/73/51/38/408735138.db2.gz OQOOYPUHRYIPNQ-KGLIPLIRSA-N 0 3 307.394 1.524 20 5 DDBDHN CN(C)C1(CNC(=O)CNc2ccccc2[N+](=O)[O-])CCC1 ZINC000275843369 408694605 /nfs/dbraw/zinc/69/46/05/408694605.db2.gz HGKGMFGZRUPUME-UHFFFAOYSA-N 0 3 306.366 1.607 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCCN1C ZINC000195132086 408813261 /nfs/dbraw/zinc/81/32/61/408813261.db2.gz KJKPHWAYMSSCGP-CYBMUJFWSA-N 0 3 322.365 1.497 20 5 DDBDHN CC(C)N1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000276191478 408824830 /nfs/dbraw/zinc/82/48/30/408824830.db2.gz IHQNGUUENJMOSD-LLVKDONJSA-N 0 3 306.366 1.780 20 5 DDBDHN CCOc1ccc(C(=O)N2C[C@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000236903280 163365368 /nfs/dbraw/zinc/36/53/68/163365368.db2.gz SZCLCAYXTZHWTQ-QWRGUYRKSA-N 0 3 307.350 1.816 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CNCC1(N2CCOCC2)CC1 ZINC000277539557 408960308 /nfs/dbraw/zinc/96/03/08/408960308.db2.gz WMTDCWRKLRMKCR-UHFFFAOYSA-N 0 3 305.378 1.858 20 5 DDBDHN CCN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000286380136 408973874 /nfs/dbraw/zinc/97/38/74/408973874.db2.gz GQCPNUWKIGOSSU-HIFRSBDPSA-N 0 3 323.393 1.361 20 5 DDBDHN CCn1nccc1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000278965099 409122158 /nfs/dbraw/zinc/12/21/58/409122158.db2.gz XFJYYNSNSSTMFZ-UHFFFAOYSA-N 0 3 318.381 1.887 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000293592319 409144661 /nfs/dbraw/zinc/14/46/61/409144661.db2.gz BETPJGDQDAICFN-MRXNPFEDSA-N 0 3 318.377 1.653 20 5 DDBDHN COC[C@H](NCCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000279091241 409147489 /nfs/dbraw/zinc/14/74/89/409147489.db2.gz PIGBTSGQRFHKNK-LSDHHAIUSA-N 0 3 310.350 1.757 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCN(C)C2CC2)c1 ZINC000283464373 409160814 /nfs/dbraw/zinc/16/08/14/409160814.db2.gz LWOJRLCICIHLBX-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N(C)CCO)[C@H]1C ZINC000293767552 409176234 /nfs/dbraw/zinc/17/62/34/409176234.db2.gz VMGBOLQZHBHJHR-IUODEOHRSA-N 0 3 321.377 1.430 20 5 DDBDHN CN(C)CCn1nccc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000294038262 409230070 /nfs/dbraw/zinc/23/00/70/409230070.db2.gz KMHQKNKKMQFPGV-UHFFFAOYSA-N 0 3 321.312 1.744 20 5 DDBDHN C[C@@H](CN1CCCC1=O)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283956061 409247292 /nfs/dbraw/zinc/24/72/92/409247292.db2.gz FZQABULFEJUJLI-QWRGUYRKSA-N 0 3 306.366 1.839 20 5 DDBDHN COc1cc(NC[C@@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000317768839 164029093 /nfs/dbraw/zinc/02/90/93/164029093.db2.gz QKAMYUGUZPNYOR-QWHCGFSZSA-N 0 3 307.350 1.879 20 5 DDBDHN O=[N+]([O-])c1ccccc1CNCCc1nnnn1-c1ccccc1 ZINC000337864204 409523231 /nfs/dbraw/zinc/52/32/31/409523231.db2.gz NODFIBAKONYJOT-UHFFFAOYSA-N 0 3 324.344 1.903 20 5 DDBDHN C[C@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000346219158 409859318 /nfs/dbraw/zinc/85/93/18/409859318.db2.gz KFXPFFZYVDQRST-MRVPVSSYSA-N 0 3 317.292 1.876 20 5 DDBDHN C[C@H]1C[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CN1C1CC1 ZINC000357534206 410089136 /nfs/dbraw/zinc/08/91/36/410089136.db2.gz QSAFVXGTPYHUAP-UWVGGRQHSA-N 0 3 304.350 1.731 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCCN(C)[C@H]1C ZINC000343457049 410467968 /nfs/dbraw/zinc/46/79/68/410467968.db2.gz KOYBYCNWNJOCKQ-GWCFXTLKSA-N 0 3 306.366 1.849 20 5 DDBDHN C[C@H](CN1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000299079986 410512782 /nfs/dbraw/zinc/51/27/82/410512782.db2.gz HAPSXFFRIPEXDP-WDEREUQCSA-N 0 3 321.381 1.621 20 5 DDBDHN CCN1CCCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000301498907 410731850 /nfs/dbraw/zinc/73/18/50/410731850.db2.gz CRKDTOULSPPEAT-UHFFFAOYSA-N 0 3 306.366 1.486 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)CN1C ZINC000330585672 410800350 /nfs/dbraw/zinc/80/03/50/410800350.db2.gz LMJAWGNPQMDSOE-UMVBOHGHSA-N 0 3 323.393 1.359 20 5 DDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cncn1C ZINC000353567365 411066460 /nfs/dbraw/zinc/06/64/60/411066460.db2.gz NMYXQTKTVATCQF-LLVKDONJSA-N 0 3 317.349 1.835 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C(C)C)N(C)C ZINC000129512917 196054196 /nfs/dbraw/zinc/05/41/96/196054196.db2.gz HXNUHVJGERPXEM-CQSZACIVSA-N 0 3 309.366 1.806 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1N1CCCN(CCN(C)C)CC1 ZINC000361831913 418715865 /nfs/dbraw/zinc/71/58/65/418715865.db2.gz XQNMYCRHOCVJFH-UHFFFAOYSA-N 0 3 306.410 1.977 20 5 DDBDHN COC(=O)c1cnc(N2CC[C@]3(CCN(C)C3)C2)c([N+](=O)[O-])c1 ZINC000368305463 418717372 /nfs/dbraw/zinc/71/73/72/418717372.db2.gz VZCQDLSTRJNEEB-HNNXBMFYSA-N 0 3 320.349 1.308 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCC([C@@H]3CCCOC3)CC2)c1 ZINC000367999797 418672621 /nfs/dbraw/zinc/67/26/21/418672621.db2.gz KIICJRHWGOCHGU-CQSZACIVSA-N 0 3 308.382 1.930 20 5 DDBDHN C[C@H]1OCC[C@H]1N(CCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000361588128 418686928 /nfs/dbraw/zinc/68/69/28/418686928.db2.gz XQZHCFNGGAAHAH-CZUORRHYSA-N 0 3 324.377 1.835 20 5 DDBDHN COCCN(C)C[C@@H](O)COc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000390641835 418754786 /nfs/dbraw/zinc/75/47/86/418754786.db2.gz SMWIWRSGFXCWGI-CYBMUJFWSA-N 0 3 312.366 1.530 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000426884617 419563035 /nfs/dbraw/zinc/56/30/35/419563035.db2.gz YWVACVDUXKFUDI-LBPRGKRZSA-N 0 3 307.350 1.818 20 5 DDBDHN COc1cc(CNCC2(CC(N)=O)CC2)c([N+](=O)[O-])cc1OC ZINC000421353022 419576262 /nfs/dbraw/zinc/57/62/62/419576262.db2.gz RQYIOPPWVAEXNE-UHFFFAOYSA-N 0 3 323.349 1.357 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000427058708 419589948 /nfs/dbraw/zinc/58/99/48/419589948.db2.gz FIPLTUINBOLBGI-GWCFXTLKSA-N 0 3 307.350 1.816 20 5 DDBDHN Cc1ccc(NCCCNC(=O)[C@@H](N)C2CCC2)c([N+](=O)[O-])c1 ZINC000423213969 419987494 /nfs/dbraw/zinc/98/74/94/419987494.db2.gz KVCXUKNKTQRHFC-HNNXBMFYSA-N 0 3 320.393 1.949 20 5 DDBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[C@H](F)CN1 ZINC000423857635 420230557 /nfs/dbraw/zinc/23/05/57/420230557.db2.gz YRRZZUWZLUZAGJ-GZMMTYOYSA-N 0 3 301.705 1.564 20 5 DDBDHN CN(C)[C@H](CNc1ncc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000302149582 230125640 /nfs/dbraw/zinc/12/56/40/230125640.db2.gz JTBHITHPXDXTIP-ZDUSSCGKSA-N 0 3 301.350 1.970 20 5 DDBDHN Cc1ccsc1CN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438781968 420465416 /nfs/dbraw/zinc/46/54/16/420465416.db2.gz AAUIHMJDCILHFT-LBPRGKRZSA-N 0 3 310.379 1.654 20 5 DDBDHN CC(C)N1CC[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000457084526 420605727 /nfs/dbraw/zinc/60/57/27/420605727.db2.gz LOJAIMPTDCJHML-CQSZACIVSA-N 0 3 321.377 1.915 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCNc1cnccn1)CCC2 ZINC000447582152 420784579 /nfs/dbraw/zinc/78/45/79/420784579.db2.gz YFXFSJHVKJXWFV-HNNXBMFYSA-N 0 3 313.361 2.464 20 5 DDBDHN CNc1nc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000455879218 421072156 /nfs/dbraw/zinc/07/21/56/421072156.db2.gz CBBPRZDXJQOUEJ-UWVGGRQHSA-N 0 3 319.365 1.387 20 5 DDBDHN COc1ccc(CC(=O)NCCN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000525291757 421284856 /nfs/dbraw/zinc/28/48/56/421284856.db2.gz PWAZROBVYGLOJA-LBPRGKRZSA-N 0 3 321.377 1.604 20 5 DDBDHN C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])N1CCC(C)CC1 ZINC000547730703 421360977 /nfs/dbraw/zinc/36/09/77/421360977.db2.gz OIIBJYJHKMYNGQ-LLVKDONJSA-N 0 3 321.381 1.422 20 5 DDBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000516490536 421547774 /nfs/dbraw/zinc/54/77/74/421547774.db2.gz TYMIBVISCYULJZ-LLVKDONJSA-N 0 3 321.381 1.422 20 5 DDBDHN Cc1c(CC(=O)NCCN2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000533497593 421675855 /nfs/dbraw/zinc/67/58/55/421675855.db2.gz ZJUCRESSNMQLHR-GFCCVEGCSA-N 0 3 305.378 1.904 20 5 DDBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000572605467 421806190 /nfs/dbraw/zinc/80/61/90/421806190.db2.gz LOTOCSZDDDVWGV-NSHDSACASA-N 0 3 320.393 1.979 20 5 DDBDHN Nc1nccc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594418493 422347565 /nfs/dbraw/zinc/34/75/65/422347565.db2.gz JMOKFPHYETVWSR-RYUDHWBXSA-N 0 3 319.365 1.319 20 5 DDBDHN CCN(C(=O)c1ccnc(NC)c1[N+](=O)[O-])[C@@H]1CCN(CC)C1 ZINC000598038606 422393449 /nfs/dbraw/zinc/39/34/49/422393449.db2.gz FCMPLJQRGHXUOY-LLVKDONJSA-N 0 3 321.381 1.588 20 5 DDBDHN C[C@@H](CCN1CCN(C)CC1)NCc1csc([N+](=O)[O-])c1 ZINC000185866647 263395603 /nfs/dbraw/zinc/39/56/03/263395603.db2.gz NNYSUZOVEWDQPG-LBPRGKRZSA-N 0 3 312.439 1.772 20 5 DDBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000344621519 272072280 /nfs/dbraw/zinc/07/22/80/272072280.db2.gz SWJUAFZLFKQCJF-GFCCVEGCSA-N 0 3 321.381 1.422 20 5 DDBDHN CCCN1CCC[C@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000455035448 276011280 /nfs/dbraw/zinc/01/12/80/276011280.db2.gz HGCYSIHLMZFIRV-NSHDSACASA-N 0 3 307.354 1.408 20 5 DDBDHN CN1CCNC[C@@H]1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423517860 277116191 /nfs/dbraw/zinc/11/61/91/277116191.db2.gz OJFZKFMBVPZIDI-ZBFHGGJFSA-N 0 3 304.394 1.465 20 5 DDBDHN COCCN(C)CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000171210517 277212258 /nfs/dbraw/zinc/21/22/58/277212258.db2.gz QDXNXHSOBUHOOO-UHFFFAOYSA-N 0 3 324.381 1.314 20 5 DDBDHN C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)N1[C@H](C)CC[C@@H]1C ZINC000247560919 289354061 /nfs/dbraw/zinc/35/40/61/289354061.db2.gz RUTCSOCQJFSGIP-GRYCIOLGSA-N 0 3 309.370 1.169 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000357911253 299018113 /nfs/dbraw/zinc/01/81/13/299018113.db2.gz ROWSDEGPZZIVCY-LLVKDONJSA-N 0 3 319.361 1.984 20 5 DDBDHN CC(C)[C@H](CO)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000362179028 300022767 /nfs/dbraw/zinc/02/27/67/300022767.db2.gz LCQJHNIRVDZGGA-NSHDSACASA-N 0 3 315.757 1.793 20 5 DDBDHN O=[N+]([O-])c1ccccc1N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000369349358 301169248 /nfs/dbraw/zinc/16/92/48/301169248.db2.gz YQKXCEHRKWQMKS-AWEZNQCLSA-N 0 3 320.393 1.413 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCO[C@H]1C1CC1 ZINC000365189306 307061223 /nfs/dbraw/zinc/06/12/23/307061223.db2.gz BAXCGHTYRUIMBE-ZBFHGGJFSA-N 0 3 319.361 1.999 20 5 DDBDHN O=C(CN[C@H]1CCO[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000375440610 307226703 /nfs/dbraw/zinc/22/67/03/307226703.db2.gz YCTPYWFENONTTA-SWLSCSKDSA-N 0 3 305.334 1.690 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN1C(=O)CNC1=O ZINC000545010404 307720242 /nfs/dbraw/zinc/72/02/42/307720242.db2.gz NMNJTLRMCVSNHG-JTQLQIEISA-N 0 3 306.322 1.106 20 5 DDBDHN CO[C@@H]1COC[C@H]1N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000563535183 307973909 /nfs/dbraw/zinc/97/39/09/307973909.db2.gz PSZHKZCGNBMOKY-LERXQTSPSA-N 0 3 323.349 1.315 20 5 DDBDHN CC(C)(C)[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000576668838 308331209 /nfs/dbraw/zinc/33/12/09/308331209.db2.gz PNZVTTCBWYLRDM-ZDUSSCGKSA-N 0 3 308.382 1.519 20 5 DDBDHN C[C@H](N[C@H]1C[C@H](O)C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000577290581 308377610 /nfs/dbraw/zinc/37/76/10/308377610.db2.gz RGSMDQRISPAAAB-XDTLVQLUSA-N 0 3 307.350 1.671 20 5 DDBDHN COc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c([N+](=O)[O-])cc1F ZINC000590767508 483927355 /nfs/dbraw/zinc/92/73/55/483927355.db2.gz ILGYEBQLIKQDOU-NOZJJQNGSA-N 0 3 323.324 1.519 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCOC[C@H]1C ZINC000433179287 534339640 /nfs/dbraw/zinc/33/96/40/534339640.db2.gz WEUKLLXZUAUHFM-DGCLKSJQSA-N 0 3 307.350 1.856 20 5 DDBDHN C[C@@H]1CN(C)[C@@H](C)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000331338432 534446690 /nfs/dbraw/zinc/44/66/90/534446690.db2.gz JMEIXTJWSHQKBG-QWHCGFSZSA-N 0 3 320.393 1.948 20 5 DDBDHN CCOC(=O)c1ccnc(NCC2(N(C)C)CC2)c1[N+](=O)[O-] ZINC000419010224 528272676 /nfs/dbraw/zinc/27/26/76/528272676.db2.gz OUUZMKDHBNTTBH-UHFFFAOYSA-N 0 3 308.338 1.673 20 5 DDBDHN O=C1OCC[C@H]1CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000120647400 696698639 /nfs/dbraw/zinc/69/86/39/696698639.db2.gz QAGWSUMBXJLCBW-NEPJUHHUSA-N 0 3 320.349 1.429 20 5 DDBDHN C[C@H](CN1CCOCC1)N(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000789334033 699378219 /nfs/dbraw/zinc/37/82/19/699378219.db2.gz FUTRFFVAIWCMTP-CZUORRHYSA-N 0 3 323.393 1.281 20 5 DDBDHN C[C@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000744800166 699961314 /nfs/dbraw/zinc/96/13/14/699961314.db2.gz UIPAULPENBVXKW-LBPRGKRZSA-N 0 3 320.393 1.732 20 5 DDBDHN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)CN1Cc1ccccc1 ZINC000839718436 701796139 /nfs/dbraw/zinc/79/61/39/701796139.db2.gz POWFVVJUBHXFIP-WMHQRMGPSA-N 0 3 317.389 1.773 20 5 DDBDHN CC(COC(=O)C1CCC(OC[C@@H]2CCCO2)CC1)[N+](=O)[O-] ZINC000816091366 702011192 /nfs/dbraw/zinc/01/11/92/702011192.db2.gz UBEWHLGXVUFKRI-RYSNWHEDSA-N 0 3 315.366 1.949 20 5 DDBDHN CNC(=O)NC[C@@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000879333678 706652854 /nfs/dbraw/zinc/65/28/54/706652854.db2.gz CMRHQRZYCXRUOO-HNNXBMFYSA-N 0 3 320.393 1.921 20 5 DDBDHN CC(COC(=O)COc1cccc(NC(=O)C2CC2)c1)[N+](=O)[O-] ZINC000813101965 702290887 /nfs/dbraw/zinc/29/08/87/702290887.db2.gz MCCKSRQNEFYPLQ-SNVBAGLBSA-N 0 3 322.317 1.622 20 5 DDBDHN CC(COC(=O)c1ncccc1OCC(F)(F)F)[N+](=O)[O-] ZINC000813108660 702295431 /nfs/dbraw/zinc/29/54/31/702295431.db2.gz JJUWKRMAMVOVJB-SSDOTTSWSA-N 0 3 308.212 1.845 20 5 DDBDHN Cc1nc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1ccc(F)cc1 ZINC000813110047 702296118 /nfs/dbraw/zinc/29/61/18/702296118.db2.gz ZBWBAFXKVJGWMY-MRVPVSSYSA-N 0 3 308.269 1.537 20 5 DDBDHN CCS(=O)(=O)c1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813113546 702298194 /nfs/dbraw/zinc/29/81/94/702298194.db2.gz FRZVJODXRQIIJX-SNVBAGLBSA-N 0 3 315.347 1.231 20 5 DDBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H](CO)c1cnn(C)c1 ZINC000866310965 706670656 /nfs/dbraw/zinc/67/06/56/706670656.db2.gz HPIAFCDOPFTEGC-YGRLFVJLSA-N 0 3 322.340 1.722 20 5 DDBDHN CC(C)N1CCCC[C@@H]1COC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000848790412 703589691 /nfs/dbraw/zinc/58/96/91/703589691.db2.gz MOKNJOJQUUNCBP-LLVKDONJSA-N 0 3 322.365 1.992 20 5 DDBDHN CC(COC(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C)[N+](=O)[O-] ZINC000851037340 703774844 /nfs/dbraw/zinc/77/48/44/703774844.db2.gz UALVIPOAMKKCGC-OTYXRUKQSA-N 0 3 301.339 1.953 20 5 DDBDHN CCc1cc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000819052758 704060162 /nfs/dbraw/zinc/06/01/62/704060162.db2.gz DNTAQEDPNUUJAV-CYBMUJFWSA-N 0 3 320.349 1.410 20 5 DDBDHN CCc1cc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000819052758 704060164 /nfs/dbraw/zinc/06/01/64/704060164.db2.gz DNTAQEDPNUUJAV-CYBMUJFWSA-N 0 3 320.349 1.410 20 5 DDBDHN C[C@@H]1C[C@@H]1N1C[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000819123037 704072622 /nfs/dbraw/zinc/07/26/22/704072622.db2.gz SLFJPZLAWGPPRF-WCUVEOEZSA-N 0 3 319.361 1.227 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2cnc3n2CCCC3)cc1 ZINC000819298062 704102945 /nfs/dbraw/zinc/10/29/45/704102945.db2.gz BRGCQXFOBOVPMV-OAHLLOKOSA-N 0 3 316.361 1.951 20 5 DDBDHN CCC[C@@H](C)C(=O)NCCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819330492 704108637 /nfs/dbraw/zinc/10/86/37/704108637.db2.gz SSJCRPZEVBZZPW-IUODEOHRSA-N 0 3 323.393 1.770 20 5 DDBDHN CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CCN(CC)C1 ZINC000855491167 704487507 /nfs/dbraw/zinc/48/75/07/704487507.db2.gz PFVCDGSTDZZMED-SNVBAGLBSA-N 0 3 307.354 1.128 20 5 DDBDHN CO[C@@H]1CN(C)[C@](C)(COC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000861345107 705436692 /nfs/dbraw/zinc/43/66/92/705436692.db2.gz YWBYYBNHHFWONT-HZMBPMFUSA-N 0 3 311.338 1.199 20 5 DDBDHN C[C@@H](NC[C@@H](O)COC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000880095340 706877393 /nfs/dbraw/zinc/87/73/93/706877393.db2.gz XWIDHAGSALNVLJ-MGPQQGTHSA-N 0 3 324.377 1.802 20 5 DDBDHN CC(COC(=O)Cc1ccccc1O[C@@H]1CCOC1)[N+](=O)[O-] ZINC000835453800 707255482 /nfs/dbraw/zinc/25/54/82/707255482.db2.gz GPLWEZIAVBEZGY-WCQYABFASA-N 0 3 309.318 1.605 20 5 DDBDHN Cn1nccc1[C@H](O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000927133462 712945795 /nfs/dbraw/zinc/94/57/95/712945795.db2.gz YWJXCQRRHRXNMR-SWLSCSKDSA-N 0 3 302.334 1.639 20 5 DDBDHN CN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC000892419060 710434340 /nfs/dbraw/zinc/43/43/40/710434340.db2.gz YNBSXOWWPRHVPY-AWEZNQCLSA-N 0 3 306.366 1.830 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCN1C ZINC000928439692 713196535 /nfs/dbraw/zinc/19/65/35/713196535.db2.gz JVQKRKDKVNHQOG-MWLCHTKSSA-N 0 3 302.334 1.899 20 5 DDBDHN COc1ccc(CC(=O)N[C@@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928451248 713202434 /nfs/dbraw/zinc/20/24/34/713202434.db2.gz VIRSIIPMANSJNQ-ZYHUDNBSSA-N 0 3 307.350 1.355 20 5 DDBDHN COc1cc([C@@H](C)N[C@@H](C)Cn2cncn2)cc([N+](=O)[O-])c1 ZINC000903083155 711026870 /nfs/dbraw/zinc/02/68/70/711026870.db2.gz AEVWOLKCTHSYRO-WDEREUQCSA-N 0 3 305.338 1.934 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCO[C@@]12CCOC2 ZINC000903090514 711028932 /nfs/dbraw/zinc/02/89/32/711028932.db2.gz CJDQPJMTQOCOFA-LSDHHAIUSA-N 0 3 308.334 1.641 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCO[C@@]12CCOC2 ZINC000903090513 711029218 /nfs/dbraw/zinc/02/92/18/711029218.db2.gz CJDQPJMTQOCOFA-HUUCEWRRSA-N 0 3 308.334 1.641 20 5 DDBDHN CN(CCO)CCN(C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000894590541 711198379 /nfs/dbraw/zinc/19/83/79/711198379.db2.gz HLBFGQXRRBVJEW-UHFFFAOYSA-N 0 3 304.350 1.503 20 5 DDBDHN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCC[N+](=O)[O-] ZINC000905088717 711932442 /nfs/dbraw/zinc/93/24/42/711932442.db2.gz KJTWAZHTTLPHOU-CYBMUJFWSA-N 0 3 320.393 1.870 20 5 DDBDHN CCS(=O)(=O)CCNC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000905644557 712105352 /nfs/dbraw/zinc/10/53/52/712105352.db2.gz RQUORDVNMBUYRA-LLVKDONJSA-N 0 3 300.380 1.723 20 5 DDBDHN Cc1c(CNC(=O)N[C@H]2CCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000922167842 713980985 /nfs/dbraw/zinc/98/09/85/713980985.db2.gz GYRKRBHXFFHQOL-YPMHNXCESA-N 0 3 306.366 1.795 20 5 DDBDHN COc1cc(CN[C@@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])cc1O ZINC000922516646 714076154 /nfs/dbraw/zinc/07/61/54/714076154.db2.gz TXZRUTCBVAXICO-ABAIWWIYSA-N 0 3 308.334 1.966 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000925309430 714803376 /nfs/dbraw/zinc/80/33/76/714803376.db2.gz ZYLBKTMLDMCLLC-GXSJLCMTSA-N 0 3 308.338 1.818 20 5 DDBDHN C[C@H]1[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000925345679 714822616 /nfs/dbraw/zinc/82/26/16/714822616.db2.gz XRTKDYAZUDWVDN-SWLSCSKDSA-N 0 3 320.393 1.871 20 5 DDBDHN CCc1nc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)co1 ZINC001126061797 738219882 /nfs/dbraw/zinc/21/98/82/738219882.db2.gz NKFYBIBRNJUTSF-UHFFFAOYSA-N 0 3 318.333 1.665 20 5 DDBDHN CS(=O)(=O)c1ccc(CN[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)nc1 ZINC001168961701 762156279 /nfs/dbraw/zinc/15/62/79/762156279.db2.gz JQQRRPAQNWPVKJ-GHMZBOCLSA-N 0 3 313.379 1.020 20 5 DDBDHN CS(=O)(=O)c1ccccc1CN[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986960 762179693 /nfs/dbraw/zinc/17/96/93/762179693.db2.gz GQVOZIIQFFGKSJ-AAEUAGOBSA-N 0 3 312.391 1.625 20 5 DDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CC(N3CCC(F)(F)CC3)C2)C1 ZINC001169038036 762192652 /nfs/dbraw/zinc/19/26/52/762192652.db2.gz VGKKMPAOXQLRHC-NEPJUHHUSA-N 0 3 303.353 1.847 20 5 DDBDHN C[C@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@H]1CNCCO1 ZINC001170565669 768164834 /nfs/dbraw/zinc/16/48/34/768164834.db2.gz WBEBBEDUXKQDTG-IINYFYTJSA-N 0 3 302.334 1.932 20 5 DDBDHN NCc1cnnn1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001158420508 768204591 /nfs/dbraw/zinc/20/45/91/768204591.db2.gz RJBYXGUACZJBEI-UHFFFAOYSA-N 0 3 304.644 1.291 20 5 DDBDHN CCOCC1(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CC1 ZINC001130413043 767507164 /nfs/dbraw/zinc/50/71/64/767507164.db2.gz NYQYHUGDAPWCRW-UHFFFAOYSA-N 0 3 321.377 1.617 20 5 DDBDHN CCCN(C)CC(=O)NCCNc1cc(C)ccc1[N+](=O)[O-] ZINC001093787365 775078476 /nfs/dbraw/zinc/07/84/76/775078476.db2.gz AUGKUPLRRQKSIW-UHFFFAOYSA-N 0 3 308.382 1.773 20 5 DDBDHN CN(C)C1(C(=O)NCCNc2ccc([N+](=O)[O-])cn2)CCC1 ZINC001093927235 775219456 /nfs/dbraw/zinc/21/94/56/775219456.db2.gz AVZQTZUOPUCTTC-UHFFFAOYSA-N 0 3 307.354 1.002 20 5 DDBDHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cnon1 ZINC001273668758 851206953 /nfs/dbraw/zinc/20/69/53/851206953.db2.gz YSEDSLJTIGRFRJ-UHFFFAOYSA-N 0 3 319.321 1.230 20 5 DDBDHN O=[N+]([O-])c1cc(F)cnc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001155824102 862478643 /nfs/dbraw/zinc/47/86/43/862478643.db2.gz JYWOAEKTWCTDND-GXTWGEPZSA-N 0 3 310.329 1.842 20 5 DDBDHN COC(=O)c1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001155892646 862535951 /nfs/dbraw/zinc/53/59/51/862535951.db2.gz KSKAISRNXXEDDA-NOZJJQNGSA-N 0 3 321.333 1.204 20 5 DDBDHN O=C(Cc1ccon1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001156001324 862621359 /nfs/dbraw/zinc/62/13/59/862621359.db2.gz NMYZVURQGWNCMH-UHFFFAOYSA-N 0 3 324.362 1.483 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC001122590260 858901515 /nfs/dbraw/zinc/90/15/15/858901515.db2.gz KRTLGUPTKQDVIL-UHFFFAOYSA-N 0 3 300.318 1.509 20 5 DDBDHN NCc1nn(-c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc12 ZINC001156855899 863400121 /nfs/dbraw/zinc/40/01/21/863400121.db2.gz RNTCSXXNOVSGGQ-UHFFFAOYSA-N 0 3 314.261 1.696 20 5 DDBDHN CN1CCC[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@@H]21 ZINC001157271048 863700685 /nfs/dbraw/zinc/70/06/85/863700685.db2.gz HGXSPGPUIWXBTK-ONGXEEELSA-N 0 3 312.757 1.412 20 5 DDBDHN NCc1cnnn1-c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001158426836 864647497 /nfs/dbraw/zinc/64/74/97/864647497.db2.gz HFHRIWAQUWXBGP-UHFFFAOYSA-N 0 3 304.697 1.836 20 5 DDBDHN NCc1cc(-c2ccncc2)nn1-c1ncc([N+](=O)[O-])cc1F ZINC001160337657 865789740 /nfs/dbraw/zinc/78/97/40/865789740.db2.gz JGLXJRVMTLBHKX-UHFFFAOYSA-N 0 3 314.280 1.835 20 5 DDBDHN Cc1nc(N2C[C@H]3c4ccccc4CN[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165351317 869537393 /nfs/dbraw/zinc/53/73/93/869537393.db2.gz RZVOGCIHWUMZPN-UONOGXRCSA-N 0 3 311.345 1.769 20 5 DDBDHN CSCC[C@@H](N)C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001341428331 871656253 /nfs/dbraw/zinc/65/62/53/871656253.db2.gz INHYQIYMLYYXDW-ZYHUDNBSSA-N 0 3 311.407 1.895 20 5 DDBDHN CCN1C[C@@H](C)N(c2nnc(C[N+](=O)[O-])n2CC(C)C)C[C@H]1C ZINC001358057077 880309997 /nfs/dbraw/zinc/30/99/97/880309997.db2.gz HAQALPNFXSKUHY-CHWSQXEVSA-N 0 3 324.429 1.630 20 5 DDBDHN C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227694216 883135929 /nfs/dbraw/zinc/13/59/29/883135929.db2.gz FGJIUFWFUTYLPH-MSRIBSCDSA-N 0 3 317.349 1.975 20 5 DDBDHN C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227694216 883135934 /nfs/dbraw/zinc/13/59/34/883135934.db2.gz FGJIUFWFUTYLPH-MSRIBSCDSA-N 0 3 317.349 1.975 20 5 DDBDHN O=C(CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)NCC(F)(F)F ZINC001254589052 896517288 /nfs/dbraw/zinc/51/72/88/896517288.db2.gz MBTTXEXIRMLNMG-SNVBAGLBSA-N 0 3 317.267 1.330 20 5 DDBDHN NC(=O)c1cncc(CN[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254588347 896518196 /nfs/dbraw/zinc/51/81/96/896518196.db2.gz DOOAJKVYEYDQIV-AWEZNQCLSA-N 0 3 312.329 1.346 20 5 DDBDHN O=C1COC2(C1)CCN([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254592932 896520699 /nfs/dbraw/zinc/52/06/99/896520699.db2.gz HFSAJQNXQOOLDQ-HNNXBMFYSA-N 0 3 316.357 1.886 20 5 DDBDHN O=C1NC2(CO1)CCN([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254608886 896531027 /nfs/dbraw/zinc/53/10/27/896531027.db2.gz STEMZDPRKUJUHP-CQSZACIVSA-N 0 3 317.345 1.636 20 5 DDBDHN CN1CCCC[C@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001262652334 900286187 /nfs/dbraw/zinc/28/61/87/900286187.db2.gz CXAYTRVUFRXTPU-ZDUSSCGKSA-N 0 3 320.393 1.997 20 5 DDBDHN CCCN(C)CC(=O)NCCN(C)c1nc(C)ccc1[N+](=O)[O-] ZINC001263679282 900667655 /nfs/dbraw/zinc/66/76/55/900667655.db2.gz MEXXSAQHXPZWEP-UHFFFAOYSA-N 0 3 323.397 1.192 20 5 DDBDHN COC[C@H](C)OC[C@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000278442461 214156747 /nfs/dbraw/zinc/15/67/47/214156747.db2.gz WKHUCHBOKGRWHE-RWMBFGLXSA-N 0 3 312.366 1.658 20 5 DDBDHN CCc1n[nH]c(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000278571648 214244992 /nfs/dbraw/zinc/24/49/92/214244992.db2.gz KNSRYTXLAWUNOK-NXEZZACHSA-N 0 3 309.370 1.435 20 5 DDBDHN CCc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000278571648 214244994 /nfs/dbraw/zinc/24/49/94/214244994.db2.gz KNSRYTXLAWUNOK-NXEZZACHSA-N 0 3 309.370 1.435 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000424080444 282167629 /nfs/dbraw/zinc/16/76/29/282167629.db2.gz TYULCJBWIXPYCP-LBPRGKRZSA-N 0 3 312.329 1.828 20 5 DDBDHN CO[C@]1(C)C[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000090551324 185302598 /nfs/dbraw/zinc/30/25/98/185302598.db2.gz FCFXUGVRJZIKLR-CZUORRHYSA-N 0 3 323.393 1.892 20 5 DDBDHN CN1C[C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000425048276 529823279 /nfs/dbraw/zinc/82/32/79/529823279.db2.gz BBRXBHNGXJVJTJ-GXFFZTMASA-N 0 3 304.350 1.343 20 5 DDBDHN O=C(NCCN1CCCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000272655168 282318167 /nfs/dbraw/zinc/31/81/67/282318167.db2.gz GCDPHPACSUIUOT-UHFFFAOYSA-N 0 3 307.354 1.987 20 5 DDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C1=CCN(C)CC1 ZINC000272753448 210157632 /nfs/dbraw/zinc/15/76/32/210157632.db2.gz FDDNCQXIZFDJQL-SNVBAGLBSA-N 0 3 304.350 1.557 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000330918568 232161870 /nfs/dbraw/zinc/16/18/70/232161870.db2.gz XMDBFEPJPFLFJU-NWDGAFQWSA-N 0 3 307.350 1.573 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](O)C(C)(C)C1 ZINC000279892500 215212171 /nfs/dbraw/zinc/21/21/71/215212171.db2.gz UTQUEMFBGFGHDF-CQSZACIVSA-N 0 3 321.377 1.935 20 5 DDBDHN COC[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181878927 186214102 /nfs/dbraw/zinc/21/41/02/186214102.db2.gz SIPZURBNOKEKJI-KGLIPLIRSA-N 0 3 324.377 1.693 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N(C)C1CC1 ZINC000057716562 352825920 /nfs/dbraw/zinc/82/59/20/352825920.db2.gz AHQZNMYGUSGGNL-JTQLQIEISA-N 0 3 307.350 1.816 20 5 DDBDHN CNC(=O)c1ccc(N[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000067711410 353064192 /nfs/dbraw/zinc/06/41/92/353064192.db2.gz FAHRYWYIOOCWBP-NSHDSACASA-N 0 3 304.350 1.603 20 5 DDBDHN CN(C)[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000068342315 353105983 /nfs/dbraw/zinc/10/59/83/353105983.db2.gz QILYLJNUMCCHTO-CYBMUJFWSA-N 0 3 307.350 1.526 20 5 DDBDHN CN(C)[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000068342316 353106057 /nfs/dbraw/zinc/10/60/57/353106057.db2.gz QILYLJNUMCCHTO-ZDUSSCGKSA-N 0 3 307.350 1.526 20 5 DDBDHN COc1cc(OCC(=O)NC[C@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000068856136 353133159 /nfs/dbraw/zinc/13/31/59/353133159.db2.gz QAVSYFGPSJAYKL-JTQLQIEISA-N 0 3 311.338 1.049 20 5 DDBDHN Nc1ccc(C(=O)N2CC[C@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000076694565 353433643 /nfs/dbraw/zinc/43/36/43/353433643.db2.gz UQAVYSGECGZBKN-ZDUSSCGKSA-N 0 3 318.377 1.877 20 5 DDBDHN Cc1c(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588860604 354943769 /nfs/dbraw/zinc/94/37/69/354943769.db2.gz JYQOATUSLJYVOG-STQMWFEESA-N 0 3 319.361 1.184 20 5 DDBDHN CN(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000589102001 354959472 /nfs/dbraw/zinc/95/94/72/354959472.db2.gz SFZPHJJBSLWJPN-VIFPVBQESA-N 0 3 307.272 1.948 20 5 DDBDHN COc1ccc(CN[C@@H]2CCn3ccnc3C2)cc1[N+](=O)[O-] ZINC000494405216 235032316 /nfs/dbraw/zinc/03/23/16/235032316.db2.gz MHEJWOKFSGJMIS-GFCCVEGCSA-N 0 3 302.334 1.905 20 5 DDBDHN COc1cc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc([N+](=O)[O-])c1C ZINC000590047191 355044866 /nfs/dbraw/zinc/04/48/66/355044866.db2.gz XDJJTURWRTUFNN-SMDDNHRTSA-N 0 3 319.361 1.688 20 5 DDBDHN CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593071883 355787182 /nfs/dbraw/zinc/78/71/82/355787182.db2.gz VMYXVCQUPFIUKS-KGLIPLIRSA-N 0 3 324.377 1.835 20 5 DDBDHN O=C1C[C@H](CNCc2ccc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000593682621 355965147 /nfs/dbraw/zinc/96/51/47/355965147.db2.gz WAPCJUXISIKFRI-SNVBAGLBSA-N 0 3 307.325 1.834 20 5 DDBDHN O=[N+]([O-])c1ccn(C2CCN(CCO[C@H]3CC3(F)F)CC2)n1 ZINC000595478577 356509923 /nfs/dbraw/zinc/50/99/23/356509923.db2.gz ARXAXYYAIHHHKT-NSHDSACASA-N 0 3 316.308 1.852 20 5 DDBDHN Cc1nc([N+](=O)[O-])c(-c2noc(CC3CCN(C)CC3)n2)n1C ZINC000347131129 283189311 /nfs/dbraw/zinc/18/93/11/283189311.db2.gz DATCSFYHOIRJQS-UHFFFAOYSA-N 0 3 320.353 1.571 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CO)C1CCC1 ZINC000595615053 356577665 /nfs/dbraw/zinc/57/76/65/356577665.db2.gz FXKBLQDBOKGYRE-CQSZACIVSA-N 0 3 307.350 1.592 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC3(COC3)C2)c1 ZINC000595835395 356671757 /nfs/dbraw/zinc/67/17/57/356671757.db2.gz PBWNQLQXYMITQG-CYBMUJFWSA-N 0 3 308.334 1.057 20 5 DDBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](F)[C@H](N)C1 ZINC000595906782 356700885 /nfs/dbraw/zinc/70/08/85/356700885.db2.gz NOHIFHFNPMKXEY-ZWKOPEQDSA-N 0 3 310.329 1.293 20 5 DDBDHN CCN1C[C@H](C)N(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H]1C ZINC000596176407 356802737 /nfs/dbraw/zinc/80/27/37/356802737.db2.gz FVCYCRMVWFQOGI-MNOVXSKESA-N 0 3 306.366 1.613 20 5 DDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000596816517 356984774 /nfs/dbraw/zinc/98/47/74/356984774.db2.gz JDNDLTZQVKXMJB-SNVBAGLBSA-N 0 3 307.354 1.406 20 5 DDBDHN C[C@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)N(C)C ZINC000597094744 357059574 /nfs/dbraw/zinc/05/95/74/357059574.db2.gz JJCMDYISHXHIPI-SSDOTTSWSA-N 0 3 315.761 1.902 20 5 DDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000597859576 357361538 /nfs/dbraw/zinc/36/15/38/357361538.db2.gz VFNYJBUBRWPORO-JTQLQIEISA-N 0 3 324.356 1.919 20 5 DDBDHN CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@@H]1CCN(CC)C1 ZINC000598041277 357439662 /nfs/dbraw/zinc/43/96/62/357439662.db2.gz SFCAIXINGURTQK-LLVKDONJSA-N 0 3 323.397 1.998 20 5 DDBDHN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H]1CCN(CC)C1 ZINC000598041277 357439666 /nfs/dbraw/zinc/43/96/66/357439666.db2.gz SFCAIXINGURTQK-LLVKDONJSA-N 0 3 323.397 1.998 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000598343799 357546827 /nfs/dbraw/zinc/54/68/27/357546827.db2.gz YFVCRRVMHXWLLJ-SNVBAGLBSA-N 0 3 321.333 1.538 20 5 DDBDHN CN1CCOC[C@@H]1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599079790 357808983 /nfs/dbraw/zinc/80/89/83/357808983.db2.gz OWYPWWUHNMOKCZ-HOCLYGCPSA-N 0 3 305.378 1.892 20 5 DDBDHN CN(CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C1CC1 ZINC000601108453 358404820 /nfs/dbraw/zinc/40/48/20/358404820.db2.gz KFKSKRBOUGLKKW-UHFFFAOYSA-N 0 3 307.276 1.853 20 5 DDBDHN COC(=O)c1cc(NC(=O)[C@]2(C)CCCCN2)cc([N+](=O)[O-])c1 ZINC000180921478 199228368 /nfs/dbraw/zinc/22/83/68/199228368.db2.gz VLYDXVJLAGKICH-HNNXBMFYSA-N 0 3 321.333 1.852 20 5 DDBDHN C[C@@H]1CCCN(CCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180931954 199229214 /nfs/dbraw/zinc/22/92/14/199229214.db2.gz GUSVYIBWFOXCSA-LLVKDONJSA-N 0 3 306.366 1.639 20 5 DDBDHN C[C@H](c1ccccc1)[C@H](CO)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602810854 359208172 /nfs/dbraw/zinc/20/81/72/359208172.db2.gz OVRBKUGNTSWFCR-RISCZKNCSA-N 0 3 304.350 1.583 20 5 DDBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3cn(C)nc3[N+](=O)[O-])[C@@H]2C1 ZINC000602834197 359224913 /nfs/dbraw/zinc/22/49/13/359224913.db2.gz SURUXXNVFAXXPZ-IACUBPJLSA-N 0 3 321.381 1.065 20 5 DDBDHN Cn1cc(CCN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC000602961752 359325510 /nfs/dbraw/zinc/32/55/10/359325510.db2.gz CEVOHIHHNNIFDL-OAHLLOKOSA-N 0 3 304.350 1.368 20 5 DDBDHN CN(CCN(C)C1CC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000186797579 200012401 /nfs/dbraw/zinc/01/24/01/200012401.db2.gz IUKZZJDAWRSWNJ-UHFFFAOYSA-N 0 3 317.349 1.637 20 5 DDBDHN NC(=O)c1ccc(N2CC[C@H](N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000609350843 360300715 /nfs/dbraw/zinc/30/07/15/360300715.db2.gz QCHWVEQRMJMWJY-ZDUSSCGKSA-N 0 3 318.377 1.758 20 5 DDBDHN C[C@@H]1COCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612104189 360920869 /nfs/dbraw/zinc/92/08/69/360920869.db2.gz QTMCVEQIGXTUJV-OLZOCXBDSA-N 0 3 310.350 1.445 20 5 DDBDHN CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CCN(C)CC1 ZINC000194726043 201278768 /nfs/dbraw/zinc/27/87/68/201278768.db2.gz RKQBTVPURLAJTH-UHFFFAOYSA-N 0 3 310.329 1.482 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000618923643 363803562 /nfs/dbraw/zinc/80/35/62/363803562.db2.gz JLSXDGQBDUGBSD-INIZCTEOSA-N 0 3 321.377 1.432 20 5 DDBDHN C[C@@](O)(CO)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000619464251 364023675 /nfs/dbraw/zinc/02/36/75/364023675.db2.gz GWTRMIJEJRESFU-HNNXBMFYSA-N 0 3 306.318 1.688 20 5 DDBDHN CN(C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000275523002 212393108 /nfs/dbraw/zinc/39/31/08/212393108.db2.gz VUDABYBZECJMOY-UHFFFAOYSA-N 0 3 313.379 1.357 20 5 DDBDHN N[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1c1ccccc1 ZINC000262263782 203244594 /nfs/dbraw/zinc/24/45/94/203244594.db2.gz RNIHMAWZUMQGBE-NWDGAFQWSA-N 0 3 301.302 1.755 20 5 DDBDHN CCN(C)CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000264891089 204243118 /nfs/dbraw/zinc/24/31/18/204243118.db2.gz JTOKDMFWGCSYPG-UHFFFAOYSA-N 0 3 317.349 1.462 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)Cn1cccn1 ZINC000265027655 204351139 /nfs/dbraw/zinc/35/11/39/204351139.db2.gz FWOFQUPWCSRDOK-LBPRGKRZSA-N 0 3 317.349 1.717 20 5 DDBDHN CS[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000270519541 248621272 /nfs/dbraw/zinc/62/12/72/248621272.db2.gz SPLVRQLCNQGSHG-OLZOCXBDSA-N 0 3 324.406 1.295 20 5 DDBDHN C[C@@H](CO)[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000274125284 211377136 /nfs/dbraw/zinc/37/71/36/211377136.db2.gz XNRVQAJXJBXDSL-IUCAKERBSA-N 0 3 315.757 1.793 20 5 DDBDHN CCOC(=O)[C@](C)(O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285275868 218362562 /nfs/dbraw/zinc/36/25/62/218362562.db2.gz IZERAXCPRRCZLS-OAHLLOKOSA-N 0 3 310.350 1.383 20 5 DDBDHN CCN1CCCC[C@H]1CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000110993433 194379292 /nfs/dbraw/zinc/37/92/92/194379292.db2.gz KWNCOHGVIKBLFU-NSHDSACASA-N 0 3 309.370 1.241 20 5 DDBDHN CCN1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000269110788 207249858 /nfs/dbraw/zinc/24/98/58/207249858.db2.gz OYXWEMUEMYSZIL-UHFFFAOYSA-N 0 3 320.393 1.875 20 5 DDBDHN C[C@H]([NH3+])CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000063170850 184276207 /nfs/dbraw/zinc/27/62/07/184276207.db2.gz YCRQIURAYLNCQM-ZETCQYMHSA-N 0 3 307.759 1.264 20 5 DDBDHN COC[C@]1(C(=O)OC)CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000294978162 533216929 /nfs/dbraw/zinc/21/69/29/533216929.db2.gz GKHWKYHRBQJRFA-INIZCTEOSA-N 0 3 322.361 1.915 20 5 DDBDHN Cc1[nH]nc(C(=O)N2C[C@@H](N)Cc3ccccc32)c1[N+](=O)[O-] ZINC000424073226 533663650 /nfs/dbraw/zinc/66/36/50/533663650.db2.gz HFMZPDKMTJFVNX-JTQLQIEISA-N 0 3 301.306 1.157 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](N)CCSC ZINC000353441095 285733902 /nfs/dbraw/zinc/73/39/02/285733902.db2.gz PBKWIEXELXZDLD-LLVKDONJSA-N 0 3 313.379 1.300 20 5 DDBDHN COC(=O)COc1ccc(CN[C@H]2CO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000569845071 304382251 /nfs/dbraw/zinc/38/22/51/304382251.db2.gz MTNKSPBELRJTSX-CMPLNLGQSA-N 0 3 324.333 1.414 20 5 DDBDHN COCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070069288 406805606 /nfs/dbraw/zinc/80/56/06/406805606.db2.gz KDAYPIVAKDLDCM-UHFFFAOYSA-N 0 3 315.757 1.556 20 5 DDBDHN CNCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070303851 406814148 /nfs/dbraw/zinc/81/41/48/406814148.db2.gz GKVGFQOYLIOVKQ-UHFFFAOYSA-N 0 3 307.759 1.088 20 5 DDBDHN O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ccncc2)CC1 ZINC000024086365 406892787 /nfs/dbraw/zinc/89/27/87/406892787.db2.gz ZVWNKCFOVQPGQD-UHFFFAOYSA-N 0 3 312.329 1.952 20 5 DDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000074137813 406902415 /nfs/dbraw/zinc/90/24/15/406902415.db2.gz WCVPUIDYCJZLLB-CYBMUJFWSA-N 0 3 320.393 1.208 20 5 DDBDHN CN(C)C[C@H]1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000066948523 407264763 /nfs/dbraw/zinc/26/47/63/407264763.db2.gz YPAJGKLHNJOLAM-CYBMUJFWSA-N 0 3 321.377 1.916 20 5 DDBDHN CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000125636432 407394017 /nfs/dbraw/zinc/39/40/17/407394017.db2.gz AHDPXVWDWSREPR-LLVKDONJSA-N 0 3 314.345 1.825 20 5 DDBDHN C[C@@H]1C[C@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])CCN1C ZINC000127497860 407439044 /nfs/dbraw/zinc/43/90/44/407439044.db2.gz HVPMAKGSLRFCGD-CHWSQXEVSA-N 0 3 320.393 1.948 20 5 DDBDHN CCCCN(C)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000112310641 407425865 /nfs/dbraw/zinc/42/58/65/407425865.db2.gz KZUSVZCODFXAPH-UHFFFAOYSA-N 0 3 309.366 1.822 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171192868 407623993 /nfs/dbraw/zinc/62/39/93/407623993.db2.gz XNCUOZIHKRVUMO-AWEZNQCLSA-N 0 3 306.366 1.531 20 5 DDBDHN C[C@@H]1OCC[C@@]1(O)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000227967153 407641892 /nfs/dbraw/zinc/64/18/92/407641892.db2.gz YPDSZAHGVXLCRD-TVQRCGJNSA-N 0 3 300.742 1.878 20 5 DDBDHN CC(=O)N1CCN(CCN[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000266903040 407667632 /nfs/dbraw/zinc/66/76/32/407667632.db2.gz UPZBACYICVSAGX-ZDUSSCGKSA-N 0 3 320.393 1.410 20 5 DDBDHN C[NH2+]C[C@H](C)C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000237206767 407802362 /nfs/dbraw/zinc/80/23/62/407802362.db2.gz SXJCDHHSPQIUIB-VIFPVBQESA-N 0 3 315.395 1.345 20 5 DDBDHN CN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000153721250 407886904 /nfs/dbraw/zinc/88/69/04/407886904.db2.gz CGXSTGQGPRJLKX-CYBMUJFWSA-N 0 3 320.393 1.949 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000268102280 407888676 /nfs/dbraw/zinc/88/86/76/407888676.db2.gz FTHXKLZLDONKFT-SMDDNHRTSA-N 0 3 318.377 1.877 20 5 DDBDHN CC(=O)NC[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153784972 407901561 /nfs/dbraw/zinc/90/15/61/407901561.db2.gz WDIVRPSSFFXETD-CJNGLKHVSA-N 0 3 321.377 1.476 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000268216215 407952684 /nfs/dbraw/zinc/95/26/84/407952684.db2.gz PNXGBLYEUFLPCL-CABZTGNLSA-N 0 3 304.350 1.390 20 5 DDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181088079 407956468 /nfs/dbraw/zinc/95/64/68/407956468.db2.gz FZSSOMMVODAKNJ-NSHDSACASA-N 0 3 306.366 1.591 20 5 DDBDHN Cc1nc(N(C)CCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000268481278 408065292 /nfs/dbraw/zinc/06/52/92/408065292.db2.gz LMWGSFKAIPHUBV-UHFFFAOYSA-N 0 3 307.398 1.372 20 5 DDBDHN C[C@H](NC[C@H](O)COC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000246015758 408121708 /nfs/dbraw/zinc/12/17/08/408121708.db2.gz IXBLNTIZCAZINJ-VBNZEHGJSA-N 0 3 324.377 1.802 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN(CCCO)Cc2ccccc2)n1 ZINC000269013150 408225199 /nfs/dbraw/zinc/22/51/99/408225199.db2.gz VWPKFBPWJLFDLX-UHFFFAOYSA-N 0 3 304.350 1.676 20 5 DDBDHN CC(C)C[C@@](C)(C[NH3+])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000155893139 408225185 /nfs/dbraw/zinc/22/51/85/408225185.db2.gz HWDZCCHUZCPUFJ-ZDUSSCGKSA-N 0 3 315.395 1.637 20 5 DDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H]1CN1CCCCC1 ZINC000263898308 408307648 /nfs/dbraw/zinc/30/76/48/408307648.db2.gz BHORYFKNRWYQGY-ZDUSSCGKSA-N 0 3 321.381 1.268 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCCn3ccnc3)C2)nc1 ZINC000183190417 408348096 /nfs/dbraw/zinc/34/80/96/408348096.db2.gz MLOLLJIUQJUKTM-ZDUSSCGKSA-N 0 3 316.365 1.763 20 5 DDBDHN COc1cc(C(=O)N2CC[C@H](N(C)C)C2)cc([N+](=O)[O-])c1C ZINC000191183541 408384194 /nfs/dbraw/zinc/38/41/94/408384194.db2.gz DHIBKCBNWNOKMM-LBPRGKRZSA-N 0 3 307.350 1.688 20 5 DDBDHN COCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000264192917 408396110 /nfs/dbraw/zinc/39/61/10/408396110.db2.gz PDWRMYLREXBBSM-UHFFFAOYSA-N 0 3 301.368 1.307 20 5 DDBDHN Cc1nc(N[C@H](C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000274526597 408439039 /nfs/dbraw/zinc/43/90/39/408439039.db2.gz XUQOYQFZNHZADF-GFCCVEGCSA-N 0 3 307.398 1.736 20 5 DDBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1n1ccnc1 ZINC000247658923 408501036 /nfs/dbraw/zinc/50/10/36/408501036.db2.gz XHRZIOTYENHYSJ-TZMCWYRMSA-N 0 3 304.354 1.571 20 5 DDBDHN CNC(=O)c1ccc(N(C)C[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000265186487 408574053 /nfs/dbraw/zinc/57/40/53/408574053.db2.gz GFRZAMPCXJTVIL-GFCCVEGCSA-N 0 3 320.393 1.732 20 5 DDBDHN C[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000248479641 408576663 /nfs/dbraw/zinc/57/66/63/408576663.db2.gz ZXVGBDRWWXNVCC-QWHCGFSZSA-N 0 3 310.350 1.445 20 5 DDBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000270619763 408606838 /nfs/dbraw/zinc/60/68/38/408606838.db2.gz RGNMKUUFYGAAKQ-GFCCVEGCSA-N 0 3 315.333 1.322 20 5 DDBDHN C[C@H](c1cccnc1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270680738 408634097 /nfs/dbraw/zinc/63/40/97/408634097.db2.gz UPNOSDPQCLECKZ-BXUZGUMPSA-N 0 3 305.338 1.240 20 5 DDBDHN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCOC1 ZINC000162742253 408731015 /nfs/dbraw/zinc/73/10/15/408731015.db2.gz PGFDIWIJGNGDGN-WCQYABFASA-N 0 3 319.361 1.499 20 5 DDBDHN O=C(NCCCN1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000265534468 408685896 /nfs/dbraw/zinc/68/58/96/408685896.db2.gz WDEKESZXVFVHCR-UHFFFAOYSA-N 0 3 307.350 1.171 20 5 DDBDHN CO[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000251655664 408784203 /nfs/dbraw/zinc/78/42/03/408784203.db2.gz HTRFWMIFWMOBLC-WOSRLPQWSA-N 0 3 324.377 1.691 20 5 DDBDHN COc1ccc(CNC(=O)CC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000291497014 408875322 /nfs/dbraw/zinc/87/53/22/408875322.db2.gz OQYRWNIRJRZGEH-UHFFFAOYSA-N 0 3 321.377 1.952 20 5 DDBDHN O=C1NC(CC(F)(F)F)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000277472495 408947284 /nfs/dbraw/zinc/94/72/84/408947284.db2.gz UXRMLUFYPGZQRG-MRVPVSSYSA-N 0 3 303.196 1.972 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@H]2CCCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000277895381 409030104 /nfs/dbraw/zinc/03/01/04/409030104.db2.gz GDRCOEPNCLMJOQ-JTQLQIEISA-N 0 3 309.370 1.483 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CC[C@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000294082095 409237428 /nfs/dbraw/zinc/23/74/28/409237428.db2.gz JTDZTCLQKWGBDA-CQSZACIVSA-N 0 3 307.354 1.184 20 5 DDBDHN Cc1[nH]nc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000294082095 409237430 /nfs/dbraw/zinc/23/74/30/409237430.db2.gz JTDZTCLQKWGBDA-CQSZACIVSA-N 0 3 307.354 1.184 20 5 DDBDHN CO[C@]1(C)CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000279391110 409205096 /nfs/dbraw/zinc/20/50/96/409205096.db2.gz UHCKQMIWIBKABR-CZUORRHYSA-N 0 3 324.377 1.835 20 5 DDBDHN Cc1c(CN(C)[C@@H]2CCN3CCO[C@H]2C3)cccc1[N+](=O)[O-] ZINC000295056427 409311124 /nfs/dbraw/zinc/31/11/24/409311124.db2.gz AZFQBNRVCAZILP-CVEARBPZSA-N 0 3 305.378 1.808 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCN(C)[C@@H](C)C2)n1 ZINC000319187107 164035151 /nfs/dbraw/zinc/03/51/51/164035151.db2.gz OSBAEQIEXGKSQB-UWVGGRQHSA-N 0 3 308.338 1.671 20 5 DDBDHN CN(C)CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000356878448 164135610 /nfs/dbraw/zinc/13/56/10/164135610.db2.gz HAJZSXYIMBGAHV-UHFFFAOYSA-N 0 3 320.393 1.949 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N(C)CCN(C)C2CC2)c1[N+](=O)[O-] ZINC000354077065 409636523 /nfs/dbraw/zinc/63/65/23/409636523.db2.gz ZRIVKGSKOMDLHY-UHFFFAOYSA-N 0 3 309.370 1.608 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N(C)CCN(C)C2CC2)c1[N+](=O)[O-] ZINC000354077065 409636531 /nfs/dbraw/zinc/63/65/31/409636531.db2.gz ZRIVKGSKOMDLHY-UHFFFAOYSA-N 0 3 309.370 1.608 20 5 DDBDHN CCN1CC[C@H](N(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1C ZINC000354405383 409833640 /nfs/dbraw/zinc/83/36/40/409833640.db2.gz UQPXDKDFALEWRQ-PWSUYJOCSA-N 0 3 323.397 1.582 20 5 DDBDHN C[C@H](N[C@@H]1CCCN(C)[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000342737005 409860052 /nfs/dbraw/zinc/86/00/52/409860052.db2.gz NQNDZCHSFPLJQU-SLEUVZQESA-N 0 3 320.393 1.994 20 5 DDBDHN C[C@H](N[C@@H]1CCCN(C)[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000342737006 409862130 /nfs/dbraw/zinc/86/21/30/409862130.db2.gz NQNDZCHSFPLJQU-YWPYICTPSA-N 0 3 320.393 1.994 20 5 DDBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346254950 409878480 /nfs/dbraw/zinc/87/84/80/409878480.db2.gz HSTLVKNXIPQTTC-TUAOUCFPSA-N 0 3 321.381 1.131 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)CCN(C)C ZINC000298637802 410324633 /nfs/dbraw/zinc/32/46/33/410324633.db2.gz PMBUQFJNCMPUHN-UHFFFAOYSA-N 0 3 322.365 1.170 20 5 DDBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC2)C1 ZINC000347010716 410308393 /nfs/dbraw/zinc/30/83/93/410308393.db2.gz HIHHMBGAUOULKK-OAHLLOKOSA-N 0 3 303.362 1.832 20 5 DDBDHN C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N1CCCC[C@H]1C ZINC000347012136 410312913 /nfs/dbraw/zinc/31/29/13/410312913.db2.gz LSJBRUAPOIIYCR-MNOVXSKESA-N 0 3 309.370 1.321 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCCN(C)[C@@H]1C ZINC000343457053 410468827 /nfs/dbraw/zinc/46/88/27/410468827.db2.gz KOYBYCNWNJOCKQ-ZWNOBZJWSA-N 0 3 306.366 1.849 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCCN1C ZINC000343427197 410442325 /nfs/dbraw/zinc/44/23/25/410442325.db2.gz DQVDDGJGHLUTHY-PWSUYJOCSA-N 0 3 309.370 1.125 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](c2cccnc2)C2CC2)c1 ZINC000347358337 410493304 /nfs/dbraw/zinc/49/33/04/410493304.db2.gz JWNLKVMLVREKCJ-GJZGRUSLSA-N 0 3 317.349 1.288 20 5 DDBDHN CN(C[C@H]1CCCN(C)C1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301998370 410836970 /nfs/dbraw/zinc/83/69/70/410836970.db2.gz PIFMNFHDUCOYAZ-NSHDSACASA-N 0 3 304.354 1.416 20 5 DDBDHN CN(C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])nn2C)c1 ZINC000356151100 410863432 /nfs/dbraw/zinc/86/34/32/410863432.db2.gz XKUMOOWSYBHNLQ-UHFFFAOYSA-N 0 3 317.349 1.320 20 5 DDBDHN COc1cc(CNCCc2cnccn2)c([N+](=O)[O-])cc1OC ZINC000341272073 410975987 /nfs/dbraw/zinc/97/59/87/410975987.db2.gz WPKUVBKIKUGPNZ-UHFFFAOYSA-N 0 3 318.333 1.734 20 5 DDBDHN CCCN1CCC(N(C)C(=O)c2nn(CC)cc2[N+](=O)[O-])CC1 ZINC000331183260 410999761 /nfs/dbraw/zinc/99/97/61/410999761.db2.gz IHOHMLDXZGMTHY-UHFFFAOYSA-N 0 3 323.397 1.758 20 5 DDBDHN COCCCOCCN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000271632754 209078245 /nfs/dbraw/zinc/07/82/45/209078245.db2.gz YPMUVNQYGZSAGN-UHFFFAOYSA-N 0 3 312.366 1.959 20 5 DDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN(CCCO)C1 ZINC000295588615 225020811 /nfs/dbraw/zinc/02/08/11/225020811.db2.gz WGGFSCYTSDHNAM-CQSZACIVSA-N 0 3 321.377 1.100 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000375025227 418590200 /nfs/dbraw/zinc/59/02/00/418590200.db2.gz YNFVPYGAQJSDTH-HIFRSBDPSA-N 0 3 318.377 1.830 20 5 DDBDHN CN1CC[C@H]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000375031386 418591657 /nfs/dbraw/zinc/59/16/57/418591657.db2.gz NPCGQTGCLAWNHP-WFASDCNBSA-N 0 3 318.377 1.559 20 5 DDBDHN C[C@@H]1CN(C)C[C@@H]1c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000361262703 418613951 /nfs/dbraw/zinc/61/39/51/418613951.db2.gz OOIHAIMKVUPMRK-SKDRFNHKSA-N 0 3 303.322 1.629 20 5 DDBDHN C[C@@H]1COCCN1CCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375610814 418661207 /nfs/dbraw/zinc/66/12/07/418661207.db2.gz HDTQXXZUGZGHKB-ZIAGYGMSSA-N 0 3 323.397 1.149 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@]2(CCCCO2)C1 ZINC000364620492 418793931 /nfs/dbraw/zinc/79/39/31/418793931.db2.gz TVUPZUQCDXLGGN-MRXNPFEDSA-N 0 3 321.377 1.792 20 5 DDBDHN CC(C)[C@@](C)(NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000411729135 419390749 /nfs/dbraw/zinc/39/07/49/419390749.db2.gz UVCJWVLBVFCCJM-OAHLLOKOSA-N 0 3 322.365 1.413 20 5 DDBDHN COc1cc(CN[C@@H](CO)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000411983259 419543272 /nfs/dbraw/zinc/54/32/72/419543272.db2.gz FNJLTWVYIWAPBZ-STQMWFEESA-N 0 3 310.350 1.481 20 5 DDBDHN CCOc1cc(CN[C@@H](CO)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000411993363 419551666 /nfs/dbraw/zinc/55/16/66/419551666.db2.gz ZAQUAJJIIIDPTO-KGLIPLIRSA-N 0 3 324.377 1.871 20 5 DDBDHN CN(C)C(=O)[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000411935956 419502679 /nfs/dbraw/zinc/50/26/79/419502679.db2.gz LHEFNKSCPDQNGN-GFCCVEGCSA-N 0 3 307.350 1.384 20 5 DDBDHN CN(C[C@@H]1CCCN1C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000421699028 419683747 /nfs/dbraw/zinc/68/37/47/419683747.db2.gz ABSJOZTUKWHEMM-ZDUSSCGKSA-N 0 3 307.350 1.526 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN1CCCC[C@@H]1C ZINC000299504319 229162599 /nfs/dbraw/zinc/16/25/99/229162599.db2.gz LMZDZFUBGKDLBD-LBPRGKRZSA-N 0 3 323.397 1.480 20 5 DDBDHN CCC[C@H](NC[C@@H]1CNCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423488442 420060094 /nfs/dbraw/zinc/06/00/94/420060094.db2.gz YYRCHESTAFPLAW-HOTGVXAUSA-N 0 3 306.410 1.929 20 5 DDBDHN NC[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000415825338 420192248 /nfs/dbraw/zinc/19/22/48/420192248.db2.gz ZHZGSZKSCBXMJY-ZDUSSCGKSA-N 0 3 320.349 1.167 20 5 DDBDHN NC(=O)c1cccc([N+](=O)[O-])c1NCCN1CCCCCC1 ZINC000420579193 420321173 /nfs/dbraw/zinc/32/11/73/420321173.db2.gz ASWMDXTXHQRSEN-UHFFFAOYSA-N 0 3 306.366 1.982 20 5 DDBDHN CN(C)CC(C)(C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000416507141 420401359 /nfs/dbraw/zinc/40/13/59/420401359.db2.gz JHTYYCAZNXIDJO-UHFFFAOYSA-N 0 3 301.368 1.213 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000425549782 420416533 /nfs/dbraw/zinc/41/65/33/420416533.db2.gz ODALTHWXPCWRDP-LLVKDONJSA-N 0 3 303.322 1.581 20 5 DDBDHN Cc1nn(C)c(NCCN2CCN(C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000440681135 420596220 /nfs/dbraw/zinc/59/62/20/420596220.db2.gz ZJVCYOLEEDUNDZ-UHFFFAOYSA-N 0 3 310.402 1.075 20 5 DDBDHN CC(C)NC(=O)CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447519665 420777323 /nfs/dbraw/zinc/77/73/23/420777323.db2.gz QYLUHBNOXHJWND-NWDGAFQWSA-N 0 3 309.370 1.389 20 5 DDBDHN CCOC[C@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000459706768 420853186 /nfs/dbraw/zinc/85/31/86/420853186.db2.gz JEAHJLPCSPMOSU-OCCSQVGLSA-N 0 3 312.370 1.043 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H](O)[C@H](CO)C3)o2)cc1 ZINC000459718389 420856339 /nfs/dbraw/zinc/85/63/39/420856339.db2.gz XHCSYBPJSKIOHS-WFASDCNBSA-N 0 3 318.329 1.640 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)N(C)C ZINC000449341206 420994417 /nfs/dbraw/zinc/99/44/17/420994417.db2.gz YEXCGOMCYSNCAA-NSHDSACASA-N 0 3 315.395 1.007 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1 ZINC000449430240 421011744 /nfs/dbraw/zinc/01/17/44/421011744.db2.gz BVOPQTGUJLKBIW-NUEKZKHPSA-N 0 3 306.362 1.957 20 5 DDBDHN COc1cc(NC[C@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000450602007 421216432 /nfs/dbraw/zinc/21/64/32/421216432.db2.gz ZJGHGKZBZXLEQO-CYBMUJFWSA-N 0 3 309.366 1.862 20 5 DDBDHN CC1(C)CCN(CC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000561084002 421305500 /nfs/dbraw/zinc/30/55/00/421305500.db2.gz XMRPGORDHCCTPW-UHFFFAOYSA-N 0 3 320.393 1.855 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[C@@H](C)C2)c1 ZINC000524775178 421270094 /nfs/dbraw/zinc/27/00/94/421270094.db2.gz UOMAYEATFSEXHI-LLVKDONJSA-N 0 3 307.350 1.675 20 5 DDBDHN CC[C@@H]1CN(C)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514649904 421443137 /nfs/dbraw/zinc/44/31/37/421443137.db2.gz OCLZXUWIPLSZRH-ZIAGYGMSSA-N 0 3 323.393 1.361 20 5 DDBDHN CNc1nccc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000563547528 421520155 /nfs/dbraw/zinc/52/01/55/421520155.db2.gz VNYFWYKXLQCKLU-GHMZBOCLSA-N 0 3 321.381 1.586 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2COCc3ccccc32)c1 ZINC000570626298 421658110 /nfs/dbraw/zinc/65/81/10/421658110.db2.gz FYDMNQLWBOJDDE-UKRRQHHQSA-N 0 3 318.333 1.013 20 5 DDBDHN C[C@@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])cn2)CCCO1 ZINC000555762498 421690274 /nfs/dbraw/zinc/69/02/74/421690274.db2.gz SKVXZIHZEGMDDH-GFCCVEGCSA-N 0 3 322.365 1.221 20 5 DDBDHN CN1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000572672817 421810623 /nfs/dbraw/zinc/81/06/23/421810623.db2.gz NKAVBRHCTMFOMV-OAHLLOKOSA-N 0 3 304.350 1.548 20 5 DDBDHN CCN1CCCC[C@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000573932541 422034200 /nfs/dbraw/zinc/03/42/00/422034200.db2.gz LZKFOPIDQBBXBB-JTQLQIEISA-N 0 3 307.354 1.176 20 5 DDBDHN C[C@@H](CN1CCC(C)CC1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000596487317 422377905 /nfs/dbraw/zinc/37/79/05/422377905.db2.gz GJXGFGUMVNZHDM-LBPRGKRZSA-N 0 3 318.381 2.170 20 5 DDBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1ccc([N+](=O)[O-])nc1 ZINC000344444381 272028376 /nfs/dbraw/zinc/02/83/76/272028376.db2.gz YAEIFGITPZMRMW-CYBMUJFWSA-N 0 3 321.381 1.344 20 5 DDBDHN CCc1n[nH]c(C(=O)NC[C@@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344618703 272071989 /nfs/dbraw/zinc/07/19/89/272071989.db2.gz PSFYCCFLWSFHBT-NSHDSACASA-N 0 3 323.397 1.731 20 5 DDBDHN CS[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H]1N(C)C ZINC000340732381 274186582 /nfs/dbraw/zinc/18/65/82/274186582.db2.gz ACMHUUOGKDEPLM-UWVGGRQHSA-N 0 3 322.394 1.119 20 5 DDBDHN CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000429325720 276794756 /nfs/dbraw/zinc/79/47/56/276794756.db2.gz JIKOJZZLDAROJO-STQMWFEESA-N 0 3 313.379 1.356 20 5 DDBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c4nonc43)[C@@H]2C1 ZINC000272188277 277178327 /nfs/dbraw/zinc/17/83/27/277178327.db2.gz LOSVBPJDZDEBNU-JOYOIKCWSA-N 0 3 303.322 1.661 20 5 DDBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285240749 278267101 /nfs/dbraw/zinc/26/71/01/278267101.db2.gz YTCZNHNAMAGKDY-AXFHLTTASA-N 0 3 309.370 1.414 20 5 DDBDHN C[C@H]1C[C@H](CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000453573029 279993034 /nfs/dbraw/zinc/99/30/34/279993034.db2.gz GENXLWGGUFECMX-UONOGXRCSA-N 0 3 320.393 1.927 20 5 DDBDHN CCCCN1CCCC[C@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000128326866 281307464 /nfs/dbraw/zinc/30/74/64/281307464.db2.gz XNKZMBPLNFXASI-NSHDSACASA-N 0 3 309.370 1.702 20 5 DDBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356319019 298761466 /nfs/dbraw/zinc/76/14/66/298761466.db2.gz YTYLLAMMRNCNDP-QWRGUYRKSA-N 0 3 307.354 1.027 20 5 DDBDHN CCOC(=O)N1CC[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000497225041 302693821 /nfs/dbraw/zinc/69/38/21/302693821.db2.gz FVKLVZPPHZBYSY-GXTWGEPZSA-N 0 3 323.349 1.449 20 5 DDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)N1CCC(C)CC1 ZINC000532145905 303277432 /nfs/dbraw/zinc/27/74/32/303277432.db2.gz RSNQNWCUYCWICJ-GFCCVEGCSA-N 0 3 306.366 1.840 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)NCCN2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000532913476 303301862 /nfs/dbraw/zinc/30/18/62/303301862.db2.gz FHWDBHZJXBSXAP-JTQLQIEISA-N 0 3 309.370 1.513 20 5 DDBDHN COC(=O)c1cnc(N(C)CCN2CCCC2)c([N+](=O)[O-])c1 ZINC000357704448 306907924 /nfs/dbraw/zinc/90/79/24/306907924.db2.gz FCVUELRSYYOMBP-UHFFFAOYSA-N 0 3 308.338 1.308 20 5 DDBDHN CCOCC[C@@H](O)CN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373105549 307178732 /nfs/dbraw/zinc/17/87/32/307178732.db2.gz AMDVVFHJZAYRGF-GXTWGEPZSA-N 0 3 312.370 1.216 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@](O)(C3CC3)C2)c1 ZINC000373907800 307198053 /nfs/dbraw/zinc/19/80/53/307198053.db2.gz GQMQEIDHNYGMMN-GOEBONIOSA-N 0 3 322.361 1.181 20 5 DDBDHN COC(=O)[C@]12CCC[C@H]1CN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000376268383 307241994 /nfs/dbraw/zinc/24/19/94/307241994.db2.gz VKHIKEGCHHZLGN-FZMZJTMJSA-N 0 3 308.338 1.066 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)CNCc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000565299772 308027564 /nfs/dbraw/zinc/02/75/64/308027564.db2.gz LGJFEVQOWUHJGV-IOASZLSFSA-N 0 3 323.393 1.155 20 5 DDBDHN CC1(C)SC[C@@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566129667 308045588 /nfs/dbraw/zinc/04/55/88/308045588.db2.gz HEYVOHIOTPECFN-MFKMUULPSA-N 0 3 312.391 1.818 20 5 DDBDHN Cn1cc(CNCCc2c[nH]c3ccc([N+](=O)[O-])cc23)nn1 ZINC000576545659 308322387 /nfs/dbraw/zinc/32/23/87/308322387.db2.gz BQMJZEGQHXZEJA-UHFFFAOYSA-N 0 3 300.322 1.537 20 5 DDBDHN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000348143052 490748795 /nfs/dbraw/zinc/74/87/95/490748795.db2.gz ORWDYHWOTSNVPQ-MFKMUULPSA-N 0 3 307.350 1.598 20 5 DDBDHN Cc1c(CN2C[C@@H](C)N(CCO)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000419331794 533846769 /nfs/dbraw/zinc/84/67/69/533846769.db2.gz RUTJOXPZBVJYDN-OLZOCXBDSA-N 0 3 307.394 1.790 20 5 DDBDHN COc1cc(C[NH2+][C@H]2CCn3ccnc3C2)c([N+](=O)[O-])cc1[O-] ZINC000494413622 533909376 /nfs/dbraw/zinc/90/93/76/533909376.db2.gz NKQJGFWZCAICSE-NSHDSACASA-N 0 3 318.333 1.610 20 5 DDBDHN C[C@@H]1OCC[C@]1(C)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000494204579 534205894 /nfs/dbraw/zinc/20/58/94/534205894.db2.gz KMCMUZUERLLSOV-PEYYIBSZSA-N 0 3 319.361 1.857 20 5 DDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@H](O)[C@H](CO)C1 ZINC000414564656 527502238 /nfs/dbraw/zinc/50/22/38/527502238.db2.gz XVSSKKCMRHFVMZ-ZFYLUOEISA-N 0 3 306.362 1.673 20 5 DDBDHN CCCCN(C)CCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119755856 696685239 /nfs/dbraw/zinc/68/52/39/696685239.db2.gz HAWKSSPNVJNQFF-UHFFFAOYSA-N 0 3 321.424 1.667 20 5 DDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(CCC(F)(F)F)CC1 ZINC000981137376 697015846 /nfs/dbraw/zinc/01/58/46/697015846.db2.gz RJTVUPOFMZXXRW-NXEZZACHSA-N 0 3 309.288 1.138 20 5 DDBDHN CCCc1n[nH]c(C(=O)NC[C@H](C)N2CCCCC2)c1[N+](=O)[O-] ZINC000731808030 699537474 /nfs/dbraw/zinc/53/74/74/699537474.db2.gz BMLHPRAXQIAIGV-NSHDSACASA-N 0 3 323.397 1.875 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCC[C@H]2C)c1 ZINC000742242477 699869901 /nfs/dbraw/zinc/86/99/01/699869901.db2.gz WDQZKQIIZDCWIT-LLVKDONJSA-N 0 3 307.350 1.818 20 5 DDBDHN Cc1cccc2c1CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000743846580 699928657 /nfs/dbraw/zinc/92/86/57/699928657.db2.gz OCBGFFJQNBBRGW-HNNXBMFYSA-N 0 3 316.361 1.519 20 5 DDBDHN COC(=O)C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000754520784 700507701 /nfs/dbraw/zinc/50/77/01/700507701.db2.gz JHWIPVGWVMMYAH-LBPRGKRZSA-N 0 3 321.333 1.125 20 5 DDBDHN CC(COC(=O)c1ccc(OCC(F)(F)F)cn1)[N+](=O)[O-] ZINC000813100288 702290307 /nfs/dbraw/zinc/29/03/07/702290307.db2.gz QAEKQVKXCYVJMV-ZETCQYMHSA-N 0 3 308.212 1.845 20 5 DDBDHN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813101782 702290793 /nfs/dbraw/zinc/29/07/93/702290793.db2.gz IRDXQRUDBBXPIQ-IVZWLZJFSA-N 0 3 304.368 1.142 20 5 DDBDHN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105174 702293094 /nfs/dbraw/zinc/29/30/94/702293094.db2.gz WPJNKEQWKMJPIB-KOLCDFICSA-N 0 3 304.302 1.710 20 5 DDBDHN CC(=O)N[C@@H](CC(=O)OCC(C)[N+](=O)[O-])c1cccs1 ZINC000813108347 702294831 /nfs/dbraw/zinc/29/48/31/702294831.db2.gz DLETWNMQHCBREZ-SCZZXKLOSA-N 0 3 300.336 1.524 20 5 DDBDHN CC(COC(=O)CCN1c2ccccc2O[C@@H](C)C1=O)[N+](=O)[O-] ZINC000813111864 702296932 /nfs/dbraw/zinc/29/69/32/702296932.db2.gz KZNFZQJGSTWYOY-QWRGUYRKSA-N 0 3 322.317 1.399 20 5 DDBDHN CC(COC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)[N+](=O)[O-] ZINC000813113040 702298128 /nfs/dbraw/zinc/29/81/28/702298128.db2.gz WVKIGMVWLNSQOR-NEPJUHHUSA-N 0 3 313.354 1.123 20 5 DDBDHN CC(COC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)[N+](=O)[O-] ZINC000813115231 702299419 /nfs/dbraw/zinc/29/94/19/702299419.db2.gz NMPODYOLOGBBSO-HTQZYQBOSA-N 0 3 310.331 1.941 20 5 DDBDHN CN(C[C@H]1CCCN1C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000817679647 702449094 /nfs/dbraw/zinc/44/90/94/702449094.db2.gz VENUOKWZJGOQBL-KGLIPLIRSA-N 0 3 307.350 1.181 20 5 DDBDHN C[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H](C)CN1 ZINC000831546033 706728846 /nfs/dbraw/zinc/72/88/46/706728846.db2.gz HZGXMDVFBXNDEX-GHMZBOCLSA-N 0 3 317.349 1.153 20 5 DDBDHN CC(COC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)[N+](=O)[O-] ZINC000851036457 703774892 /nfs/dbraw/zinc/77/48/92/703774892.db2.gz ICURYSLOAPBKSK-VIFPVBQESA-N 0 3 306.318 1.763 20 5 DDBDHN C[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000870121374 703919910 /nfs/dbraw/zinc/91/99/10/703919910.db2.gz PFTUECRZZJJTAH-NWANDNLSSA-N 0 3 303.362 1.557 20 5 DDBDHN C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000870121373 703919971 /nfs/dbraw/zinc/91/99/71/703919971.db2.gz PFTUECRZZJJTAH-BPLDGKMQSA-N 0 3 303.362 1.557 20 5 DDBDHN COCCn1cc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000819288992 704101236 /nfs/dbraw/zinc/10/12/36/704101236.db2.gz BNDBOAWJPJNTDO-HNNXBMFYSA-N 0 3 320.349 1.261 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CO)CN1CCCC1 ZINC000819842595 704177818 /nfs/dbraw/zinc/17/78/18/704177818.db2.gz BMCYRGQKGSSQAV-LBPRGKRZSA-N 0 3 307.350 1.090 20 5 DDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000855164307 704471906 /nfs/dbraw/zinc/47/19/06/704471906.db2.gz HZWMLGKGQDZONT-NSHDSACASA-N 0 3 306.366 1.780 20 5 DDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000874823242 705182214 /nfs/dbraw/zinc/18/22/14/705182214.db2.gz GVSKQFHBATWMDZ-KBPBESRZSA-N 0 3 321.352 1.972 20 5 DDBDHN CC(COC(=O)c1c(Br)nc2n1CCC2)[N+](=O)[O-] ZINC000835455325 707256068 /nfs/dbraw/zinc/25/60/68/707256068.db2.gz OGRUTHXDKZSAQU-ZCFIWIBFSA-N 0 3 318.127 1.414 20 5 DDBDHN CC(C)(O)CN1CC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000865999004 706589819 /nfs/dbraw/zinc/58/98/19/706589819.db2.gz VXIKYXUKOCTFKR-JTQLQIEISA-N 0 3 314.773 1.900 20 5 DDBDHN CN(C)CCONC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000833859510 707015838 /nfs/dbraw/zinc/01/58/38/707015838.db2.gz LZCHCWXZUKQOKA-UHFFFAOYSA-N 0 3 322.365 1.418 20 5 DDBDHN CN(CCNc1c(F)cc([N+](=O)[O-])cc1F)CCOCCO ZINC000882951963 707868690 /nfs/dbraw/zinc/86/86/90/707868690.db2.gz CYIRJADKITXTBN-UHFFFAOYSA-N 0 3 319.308 1.226 20 5 DDBDHN COc1c(O)ccc(CN[C@H]2COC[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000898380074 708627839 /nfs/dbraw/zinc/62/78/39/708627839.db2.gz LHBUTHWEBUJVNZ-NEPJUHHUSA-N 0 3 308.334 1.824 20 5 DDBDHN O=[N+]([O-])c1ncccc1CN[C@H](C1CC1)C1(CO)CCOCC1 ZINC000886273839 708734203 /nfs/dbraw/zinc/73/42/03/708734203.db2.gz HISHDPYSOMVWFV-CQSZACIVSA-N 0 3 321.377 1.647 20 5 DDBDHN CN(CCO)CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000899741982 709186336 /nfs/dbraw/zinc/18/63/36/709186336.db2.gz YGEQLCMSFLOOHF-UHFFFAOYSA-N 0 3 321.377 1.057 20 5 DDBDHN Cc1nn(C(C)C)c(C)c1CNCCn1cc([N+](=O)[O-])cn1 ZINC000893135245 710560196 /nfs/dbraw/zinc/56/01/96/710560196.db2.gz PFTANJVJINVVRP-UHFFFAOYSA-N 0 3 306.370 1.975 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1C ZINC000928446191 713199853 /nfs/dbraw/zinc/19/98/53/713199853.db2.gz VCVPHJQOJPNRSR-NOZJJQNGSA-N 0 3 302.334 1.899 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCN1C ZINC000928455742 713204632 /nfs/dbraw/zinc/20/46/32/713204632.db2.gz UMMYINBGMWZOOQ-GWCFXTLKSA-N 0 3 306.366 1.483 20 5 DDBDHN CCCN(C)CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911475766 710814052 /nfs/dbraw/zinc/81/40/52/710814052.db2.gz ITEJLNQOXORDBP-UHFFFAOYSA-N 0 3 301.293 1.831 20 5 DDBDHN O=[N+]([O-])c1ccc(CO)c(-c2ccc(F)c(CNCCO)c2)c1 ZINC000904797263 711893738 /nfs/dbraw/zinc/89/37/38/711893738.db2.gz VYPBFPOYNZPUNF-UHFFFAOYSA-N 0 3 320.320 1.975 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000914325477 713378827 /nfs/dbraw/zinc/37/88/27/713378827.db2.gz LECWURGBXPVETF-FZMZJTMJSA-N 0 3 306.366 1.529 20 5 DDBDHN O=[N+]([O-])CCN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000930849529 713937057 /nfs/dbraw/zinc/93/70/57/713937057.db2.gz NISJLVXVZGMSAN-JKSUJKDBSA-N 0 3 305.378 1.238 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C)C[C@@H]1CC(C)C ZINC000933251078 714547077 /nfs/dbraw/zinc/54/70/77/714547077.db2.gz JJVCDCSFNCSVHN-AWEZNQCLSA-N 0 3 309.414 1.762 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)C[C@@H]1CCC(=O)N1 ZINC000924956016 714707873 /nfs/dbraw/zinc/70/78/73/714707873.db2.gz WWTUFWRQZMCUEO-PWSUYJOCSA-N 0 3 307.350 1.750 20 5 DDBDHN CC(=O)CCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001123480182 746537845 /nfs/dbraw/zinc/53/78/45/746537845.db2.gz MICHATYVHXCWKM-UHFFFAOYSA-N 0 3 307.350 1.560 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@H]1[C@H]1CCCO1 ZINC001198685216 747577155 /nfs/dbraw/zinc/57/71/55/747577155.db2.gz HZUCEWJFBCCKJK-LSDHHAIUSA-N 0 3 321.377 1.790 20 5 DDBDHN Cc1ncc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)s1 ZINC001124515218 748304592 /nfs/dbraw/zinc/30/45/92/748304592.db2.gz ZIAYULSYAFAKPX-UHFFFAOYSA-N 0 3 320.374 1.879 20 5 DDBDHN CS(=O)(=O)c1ccc(CN[C@@H]2CC[C@H](C[N+](=O)[O-])C2)nc1 ZINC001168961704 762155969 /nfs/dbraw/zinc/15/59/69/762155969.db2.gz JQQRRPAQNWPVKJ-WDEREUQCSA-N 0 3 313.379 1.020 20 5 DDBDHN CC(C)(C)OC(=O)[C@H](N)C1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169004397 762173823 /nfs/dbraw/zinc/17/38/23/762173823.db2.gz QVSSBOHAVPBVRD-WCFLWFBJSA-N 0 3 313.398 1.033 20 5 DDBDHN CCc1nc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001020140532 760615075 /nfs/dbraw/zinc/61/50/75/760615075.db2.gz NDUATEDCHQNYON-CNVPUSNMSA-N 0 3 324.406 1.108 20 5 DDBDHN O=C1NCc2ccccc2[C@@H]1Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001169885810 762719572 /nfs/dbraw/zinc/71/95/72/762719572.db2.gz IUYMGEKNUURKNC-INIZCTEOSA-N 0 3 324.340 1.981 20 5 DDBDHN C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@@H]1CNCCO1 ZINC001170566121 768166860 /nfs/dbraw/zinc/16/68/60/768166860.db2.gz DRSKMFUZQWPUNG-BMIGLBTASA-N 0 3 302.334 1.932 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2CNCCO2)c1 ZINC001170575831 768240517 /nfs/dbraw/zinc/24/05/17/768240517.db2.gz SBGFBYORSCKABM-ZANVPECISA-N 0 3 309.322 1.170 20 5 DDBDHN COc1ccc(C[C@H](C)N2CC[C@H](O)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170334409 766256536 /nfs/dbraw/zinc/25/65/36/766256536.db2.gz DGUXSSZQEXHVRR-GHJWDPDVSA-N 0 3 324.377 1.210 20 5 DDBDHN COc1ccc(C[C@H](C)N2C[C@@H]3C[C@H]2CN3C)c([N+](=O)[O-])c1 ZINC001170354414 766260294 /nfs/dbraw/zinc/26/02/94/766260294.db2.gz KWEOFSBBEJTLCJ-UBHSHLNASA-N 0 3 305.378 1.923 20 5 DDBDHN CCN(CCNC(=O)CN(C)C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001100546784 776292805 /nfs/dbraw/zinc/29/28/05/776292805.db2.gz QWRXLGQCESAPEZ-UHFFFAOYSA-N 0 3 322.409 1.878 20 5 DDBDHN O=C(CC1(O)CCC1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001157657127 864021002 /nfs/dbraw/zinc/02/10/02/864021002.db2.gz GKRRDGGBLMCVLE-UHFFFAOYSA-N 0 3 321.377 1.496 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C1(C2CC2)CC1 ZINC001160550948 865932106 /nfs/dbraw/zinc/93/21/06/865932106.db2.gz OFJAHTYDKXLDRZ-UHFFFAOYSA-N 0 3 321.381 1.114 20 5 DDBDHN C[C@H](N)c1nc2ccccc2n1-c1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001162760354 867803083 /nfs/dbraw/zinc/80/30/83/867803083.db2.gz ZLWWUQZAQUUFGU-QMMMGPOBSA-N 0 3 317.280 1.726 20 5 DDBDHN O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@@H]4NCCO[C@H]4C3)nc21 ZINC001165270495 869481773 /nfs/dbraw/zinc/48/17/73/869481773.db2.gz GLJDCYMEICDSLT-CABZTGNLSA-N 0 3 303.322 1.038 20 5 DDBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001341141127 871523981 /nfs/dbraw/zinc/52/39/81/871523981.db2.gz PWTLZCCQOQFRSO-FRRDWIJNSA-N 0 3 320.393 1.994 20 5 DDBDHN O=C(N[C@H]1COC2(CNC2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC001342214864 872076266 /nfs/dbraw/zinc/07/62/66/872076266.db2.gz HOPGWRAGPXVJOQ-MRVPVSSYSA-N 0 3 311.725 1.109 20 5 DDBDHN CC(C)(CCC(=O)OC[C@@H]1CCN1C1CCOCC1)[N+](=O)[O-] ZINC001345667588 873470456 /nfs/dbraw/zinc/47/04/56/873470456.db2.gz ZNGWXXBCZRJNRW-ZDUSSCGKSA-N 0 3 314.382 1.618 20 5 DDBDHN CSCC(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001233639244 887179625 /nfs/dbraw/zinc/17/96/25/887179625.db2.gz CQDOUOZLEVMUQR-UHFFFAOYSA-N 0 3 311.407 1.896 20 5 DDBDHN CSCC[C@H](N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254587778 896517678 /nfs/dbraw/zinc/51/76/78/896517678.db2.gz ZIKSDKMQLLBNGG-YPMHNXCESA-N 0 3 309.391 1.259 20 5 DDBDHN O=C(NCCCN(Cc1ccns1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001265161713 901647653 /nfs/dbraw/zinc/64/76/53/901647653.db2.gz YFRYRDDFFGQROE-CHWSQXEVSA-N 0 3 324.406 1.279 20 5 DDBDHN COC[C@@]1(CO)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000451935505 231240041 /nfs/dbraw/zinc/24/00/41/231240041.db2.gz WEYLLFFOUADFER-HNNXBMFYSA-N 0 3 310.350 1.304 20 5 DDBDHN CC[C@@]1(O)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000495209184 529575063 /nfs/dbraw/zinc/57/50/63/529575063.db2.gz APFPIHFKAFOCKW-SWLSCSKDSA-N 0 3 310.350 1.181 20 5 DDBDHN CN1C[C@@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000425061036 529821859 /nfs/dbraw/zinc/82/18/59/529821859.db2.gz XNIANAIKDMJGLR-SWLSCSKDSA-N 0 3 321.352 1.829 20 5 DDBDHN CN1C[C@@H]2CCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425061405 529822676 /nfs/dbraw/zinc/82/26/76/529822676.db2.gz ZBPLUXARQNUZAL-IINYFYTJSA-N 0 3 307.325 1.900 20 5 DDBDHN C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)CCN1C ZINC000330790360 232070638 /nfs/dbraw/zinc/07/06/38/232070638.db2.gz AOGWGFBYFQORTF-VHSXEESVSA-N 0 3 307.354 1.127 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@H]2C1 ZINC000272616692 210015788 /nfs/dbraw/zinc/01/57/88/210015788.db2.gz LHZIWVGJOXKKOY-GWCFXTLKSA-N 0 3 304.350 1.343 20 5 DDBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000138649371 186018326 /nfs/dbraw/zinc/01/83/26/186018326.db2.gz ARJHYFJUWAIJNK-OUAUKWLOSA-N 0 3 309.370 1.414 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN(C[C@H]1CCOC1)C1CC1 ZINC000159744699 186139255 /nfs/dbraw/zinc/13/92/55/186139255.db2.gz YPFTXDLGCOCICW-GFCCVEGCSA-N 0 3 307.350 1.257 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CSc3ccccc32)c1 ZINC000564854993 304019418 /nfs/dbraw/zinc/01/94/18/304019418.db2.gz VBVQXOUKRFXUJV-DGCLKSJQSA-N 0 3 320.374 1.589 20 5 DDBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000031784511 352271447 /nfs/dbraw/zinc/27/14/47/352271447.db2.gz FTPGXIULOAXTCK-UHFFFAOYSA-N 0 3 323.353 1.552 20 5 DDBDHN COc1ccc(NC(=O)CCN2CCC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000041886259 352317595 /nfs/dbraw/zinc/31/75/95/352317595.db2.gz ORSGZGVQTWBHPD-NSHDSACASA-N 0 3 323.349 1.389 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2noc(N3CCN4CCC3CC4)n2)cc1 ZINC000344832847 282845557 /nfs/dbraw/zinc/84/55/57/282845557.db2.gz NOISGOYENAKVDP-UHFFFAOYSA-N 0 3 315.333 1.929 20 5 DDBDHN COc1ccc(CC(=O)NC[C@H](C)N2CCCC2)cc1[N+](=O)[O-] ZINC000069377289 353159588 /nfs/dbraw/zinc/15/95/88/353159588.db2.gz TVSTUDYNOBPFIT-LBPRGKRZSA-N 0 3 321.377 1.746 20 5 DDBDHN CCN(C)CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069425216 353160969 /nfs/dbraw/zinc/16/09/69/353160969.db2.gz IMPSTBZNMGARGM-UHFFFAOYSA-N 0 3 310.354 1.225 20 5 DDBDHN COCCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000069528144 353164832 /nfs/dbraw/zinc/16/48/32/353164832.db2.gz MXZQHBIWKKQHDJ-CQSZACIVSA-N 0 3 321.377 1.744 20 5 DDBDHN Cc1cc(NC[C@@H](C(C)C)N2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000073000319 353231465 /nfs/dbraw/zinc/23/14/65/353231465.db2.gz JIBQCRMLVQKSCB-AWEZNQCLSA-N 0 3 321.425 1.982 20 5 DDBDHN Cc1nn(C)c(N2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000076518358 353424778 /nfs/dbraw/zinc/42/47/78/353424778.db2.gz NUAFXAYEHDSBBY-UHFFFAOYSA-N 0 3 302.338 1.358 20 5 DDBDHN CCN(CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CC1 ZINC000076967092 353445802 /nfs/dbraw/zinc/44/58/02/353445802.db2.gz BDBJQZKOBMENBA-UHFFFAOYSA-N 0 3 310.329 1.530 20 5 DDBDHN CCN1CCN(C[C@@H](C)CNc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000092612742 353863309 /nfs/dbraw/zinc/86/33/09/353863309.db2.gz LHWMIYAVXDYZCA-ZDUSSCGKSA-N 0 3 321.425 1.984 20 5 DDBDHN CC(C)[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)N1CCN(C)CC1 ZINC000323754320 354541714 /nfs/dbraw/zinc/54/17/14/354541714.db2.gz SPDHTERNMNBJSM-ZDUSSCGKSA-N 0 3 322.413 1.256 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000590538594 355109208 /nfs/dbraw/zinc/10/92/08/355109208.db2.gz NLYHGLHOUJMEDD-MRXNPFEDSA-N 0 3 321.377 1.432 20 5 DDBDHN Cn1nnnc1CCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591347931 355294549 /nfs/dbraw/zinc/29/45/49/355294549.db2.gz GDPOMDJUHBUBLZ-AWEZNQCLSA-N 0 3 316.365 1.718 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCN2CCCCC2)n1 ZINC000593516479 355910726 /nfs/dbraw/zinc/91/07/26/355910726.db2.gz OKQJPCHLNHLPEY-UHFFFAOYSA-N 0 3 322.365 1.699 20 5 DDBDHN CCN1C[C@H](C[NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])CC1=O ZINC000593691094 355968644 /nfs/dbraw/zinc/96/86/44/355968644.db2.gz ZNRMCMHMGFFNOH-JTQLQIEISA-N 0 3 323.349 1.267 20 5 DDBDHN C[C@H](O)CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594063065 356103732 /nfs/dbraw/zinc/10/37/32/356103732.db2.gz IGXQALUFLNGGLL-AAEUAGOBSA-N 0 3 310.350 1.180 20 5 DDBDHN COc1ccc(OCCN(C[C@H](C)O)C2CC2)c([N+](=O)[O-])c1 ZINC000594066321 356103866 /nfs/dbraw/zinc/10/38/66/356103866.db2.gz VPGMSRBSAMKBOS-NSHDSACASA-N 0 3 310.350 1.827 20 5 DDBDHN COc1ccc(CC(=O)N[C@@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594450705 356222010 /nfs/dbraw/zinc/22/20/10/356222010.db2.gz SFNJHLWJUSAJKM-JTQLQIEISA-N 0 3 321.255 1.152 20 5 DDBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000594614694 356266882 /nfs/dbraw/zinc/26/68/82/356266882.db2.gz ZAISAYMHTCYTDF-ACYLFWIKSA-N 0 3 303.362 1.359 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@]1(C)CCC(=O)N1 ZINC000595053470 356376914 /nfs/dbraw/zinc/37/69/14/356376914.db2.gz VLUPIYDSIXKWSJ-BONVTDFDSA-N 0 3 307.350 1.923 20 5 DDBDHN CC(C)NCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595248417 356417317 /nfs/dbraw/zinc/41/73/17/356417317.db2.gz GVFAUFPJBZKYBY-UHFFFAOYSA-N 0 3 321.377 1.963 20 5 DDBDHN CO[C@@]1(CO)CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595663086 356598713 /nfs/dbraw/zinc/59/87/13/356598713.db2.gz QXDWVMWWJTWTOY-INIZCTEOSA-N 0 3 324.377 1.837 20 5 DDBDHN C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1CCO ZINC000595706888 356617372 /nfs/dbraw/zinc/61/73/72/356617372.db2.gz YEYWJSSLLYJQPZ-TZMCWYRMSA-N 0 3 309.366 1.239 20 5 DDBDHN CN1C[C@@H](N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000268863038 283203614 /nfs/dbraw/zinc/20/36/14/283203614.db2.gz RVQXHFSIBMMEQM-KBPBESRZSA-N 0 3 303.362 1.736 20 5 DDBDHN CC(C)[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])N1CCN(C)CC1 ZINC000596070146 356761324 /nfs/dbraw/zinc/76/13/24/356761324.db2.gz OGNXKTOXPVPHGO-CYBMUJFWSA-N 0 3 323.397 1.379 20 5 DDBDHN CC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596258905 356835211 /nfs/dbraw/zinc/83/52/11/356835211.db2.gz NWNZHZSDQMNKRA-LLVKDONJSA-N 0 3 306.366 1.614 20 5 DDBDHN NC(=O)c1cc(N2CC[C@H](N3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000596125024 356782638 /nfs/dbraw/zinc/78/26/38/356782638.db2.gz WXUOWAQFUVLMSP-ZDUSSCGKSA-N 0 3 318.377 1.758 20 5 DDBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])cn1)C2 ZINC000597716682 357299879 /nfs/dbraw/zinc/29/98/79/357299879.db2.gz RREHIXCMCPSYTH-OAHLLOKOSA-N 0 3 304.350 1.548 20 5 DDBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000598261914 357512185 /nfs/dbraw/zinc/51/21/85/357512185.db2.gz ILQBTOJNEUHMRN-LLVKDONJSA-N 0 3 309.370 1.179 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552355 357971297 /nfs/dbraw/zinc/97/12/97/357971297.db2.gz AKHXGIBCWUJAQU-OLZOCXBDSA-N 0 3 309.391 1.726 20 5 DDBDHN C[C@H](NCCN1C(=O)NC(C)(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180404548 199154574 /nfs/dbraw/zinc/15/45/74/199154574.db2.gz TYULPZDQBYXWGJ-JTQLQIEISA-N 0 3 320.349 1.576 20 5 DDBDHN Cc1c(NC(=O)c2cnn(CCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000600892392 358341150 /nfs/dbraw/zinc/34/11/50/358341150.db2.gz OELWBBXICPHTBM-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN COC(=O)[C@@H](C)CN(CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602771405 359179962 /nfs/dbraw/zinc/17/99/62/359179962.db2.gz IVFRJIYGRSDWIS-JTQLQIEISA-N 0 3 310.354 1.373 20 5 DDBDHN Cn1cc(CCCN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC000602734060 359155890 /nfs/dbraw/zinc/15/58/90/359155890.db2.gz XQTLRFMBEUYRRB-INIZCTEOSA-N 0 3 318.377 1.758 20 5 DDBDHN C[C@@](CO)(NCCCn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000602961529 359324177 /nfs/dbraw/zinc/32/41/77/359324177.db2.gz BHDUKAPHUGTZFL-HNNXBMFYSA-N 0 3 304.350 1.679 20 5 DDBDHN COc1cc([N+](=O)[O-])cn(CCN2C[C@H](C)C[C@H](C)C2)c1=O ZINC000603356601 359590242 /nfs/dbraw/zinc/59/02/42/359590242.db2.gz BNDXTKHCVDDRNA-TXEJJXNPSA-N 0 3 309.366 1.743 20 5 DDBDHN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CN1 ZINC000237438857 202265266 /nfs/dbraw/zinc/26/52/66/202265266.db2.gz GNCJUCVYANRARE-ZJUUUORDSA-N 0 3 311.769 2.000 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@]1(CCO)CCOC1 ZINC000579375916 422759926 /nfs/dbraw/zinc/75/99/26/422759926.db2.gz BDIXKEUFSNVROA-GOEBONIOSA-N 0 3 306.362 1.961 20 5 DDBDHN O=[N+]([O-])c1ccccc1CNCCCN1CCCS1(=O)=O ZINC000609223524 360275379 /nfs/dbraw/zinc/27/53/79/360275379.db2.gz BZJWDBNTVFGXSI-UHFFFAOYSA-N 0 3 313.379 1.110 20 5 DDBDHN N[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCC1 ZINC000423418537 283544098 /nfs/dbraw/zinc/54/40/98/283544098.db2.gz UUPIIVIABIBYMX-SMDDNHRTSA-N 0 3 319.365 1.130 20 5 DDBDHN CC1(C)[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000271899463 209308851 /nfs/dbraw/zinc/30/88/51/209308851.db2.gz VHSVESKTYMEWJP-KMUNFCNLSA-N 0 3 319.361 1.936 20 5 DDBDHN Nc1ccc([N+](=O)[O-])c(N2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000193465726 283667215 /nfs/dbraw/zinc/66/72/15/283667215.db2.gz XSVIKZJKEDJLGK-GFCCVEGCSA-N 0 3 306.366 1.336 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC2(c3cccc(F)c3)CC2)c1 ZINC000271783368 209212031 /nfs/dbraw/zinc/21/20/31/209212031.db2.gz LYQXYTYVURMCFU-CQSZACIVSA-N 0 3 320.324 1.570 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CC[C@@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264580223 204008124 /nfs/dbraw/zinc/00/81/24/204008124.db2.gz CHNPREUXKLHVAF-LLVKDONJSA-N 0 3 321.381 1.581 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CC[C@@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264580223 204008129 /nfs/dbraw/zinc/00/81/29/204008129.db2.gz CHNPREUXKLHVAF-LLVKDONJSA-N 0 3 321.381 1.581 20 5 DDBDHN C[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)N(C)Cc1ccccc1 ZINC000264722824 204104173 /nfs/dbraw/zinc/10/41/73/204104173.db2.gz HVNODJLPFHWTBZ-LLVKDONJSA-N 0 3 316.365 1.899 20 5 DDBDHN C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)N(C)Cc1ccccc1 ZINC000264722826 204104746 /nfs/dbraw/zinc/10/47/46/204104746.db2.gz HVNODJLPFHWTBZ-NSHDSACASA-N 0 3 316.365 1.899 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000288574854 220252084 /nfs/dbraw/zinc/25/20/84/220252084.db2.gz RDFOOIDBPMNEJX-CYBMUJFWSA-N 0 3 321.377 1.480 20 5 DDBDHN Cc1ccc(CN2CCO[C@@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000284719172 218148599 /nfs/dbraw/zinc/14/85/99/218148599.db2.gz UTHHUGJRDMOMSA-JKSUJKDBSA-N 0 3 305.378 1.808 20 5 DDBDHN Cc1sc(C(=O)NC[C@](C)(O)CCN(C)C)cc1[N+](=O)[O-] ZINC000352124955 284803684 /nfs/dbraw/zinc/80/36/84/284803684.db2.gz CBUSVEKGBDTYKD-CYBMUJFWSA-N 0 3 315.395 1.397 20 5 DDBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000341064908 251364627 /nfs/dbraw/zinc/36/46/27/251364627.db2.gz HKNBFJXEHZCWPL-RYUDHWBXSA-N 0 3 308.382 1.926 20 5 DDBDHN CO[C@@H](CN)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289499219 221021068 /nfs/dbraw/zinc/02/10/68/221021068.db2.gz GWYQEYDCZBZSGD-NSHDSACASA-N 0 3 301.730 1.180 20 5 DDBDHN CO[C@@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000451864619 533529897 /nfs/dbraw/zinc/52/98/97/533529897.db2.gz ZXEVRKUAACTEAM-ZIAGYGMSSA-N 0 3 321.377 1.646 20 5 DDBDHN C[C@@H](CCS(C)(=O)=O)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569000664 304329330 /nfs/dbraw/zinc/32/93/30/304329330.db2.gz MKCKPMAFMXHUEK-GWCFXTLKSA-N 0 3 312.391 1.995 20 5 DDBDHN CC(COC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496764137 307360006 /nfs/dbraw/zinc/36/00/06/307360006.db2.gz QOKRRVQWJNXNIX-QWRGUYRKSA-N 0 3 316.354 1.984 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000068242694 406626790 /nfs/dbraw/zinc/62/67/90/406626790.db2.gz ZUCSJTALROFHEN-LBPRGKRZSA-N 0 3 311.386 1.192 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]([NH3+])C(C)C)cc1C ZINC000070447751 406817128 /nfs/dbraw/zinc/81/71/28/406817128.db2.gz PEZHANHFIOOUGF-LLVKDONJSA-N 0 3 315.395 1.473 20 5 DDBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCCN1CCCC1 ZINC000074124010 406903150 /nfs/dbraw/zinc/90/31/50/406903150.db2.gz MGJJETUDILYKIV-UHFFFAOYSA-N 0 3 320.393 1.999 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCC[NH2+]C1 ZINC000044502428 407025314 /nfs/dbraw/zinc/02/53/14/407025314.db2.gz FVWUMYYEHQFAAL-NSHDSACASA-N 0 3 313.379 1.181 20 5 DDBDHN CCCNC(=O)C1(NCCn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000085864031 407105930 /nfs/dbraw/zinc/10/59/30/407105930.db2.gz NFDKPUBDCRDLPK-UHFFFAOYSA-N 0 3 323.397 1.610 20 5 DDBDHN CN(CCN1CCCC1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000089900120 407157187 /nfs/dbraw/zinc/15/71/87/407157187.db2.gz BJKCKFQZFHIHOY-UHFFFAOYSA-N 0 3 321.377 1.989 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H]1CCOC1 ZINC000106885832 407364989 /nfs/dbraw/zinc/36/49/89/407364989.db2.gz NWNDGKZSCPNNEC-ZDUSSCGKSA-N 0 3 307.350 1.953 20 5 DDBDHN CN1CCN([C@H]2CCCCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000127021818 407426224 /nfs/dbraw/zinc/42/62/24/407426224.db2.gz AHVVSIIZANSAGJ-AWEZNQCLSA-N 0 3 319.409 1.596 20 5 DDBDHN CC(C)N(CCN(C)C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000151887793 407520779 /nfs/dbraw/zinc/52/07/79/407520779.db2.gz RGUVTBIDGYIOMX-UHFFFAOYSA-N 0 3 324.337 1.915 20 5 DDBDHN CC[C@H](c1ccncc1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000130150958 407659421 /nfs/dbraw/zinc/65/94/21/407659421.db2.gz PWTOXOXDNXDGBV-LSDHHAIUSA-N 0 3 319.365 1.630 20 5 DDBDHN Cc1c(CNC(=O)C[C@H]2CSCCN2)cccc1[N+](=O)[O-] ZINC000231856016 407700550 /nfs/dbraw/zinc/70/05/50/407700550.db2.gz FVEJJJVFXNYWHF-LBPRGKRZSA-N 0 3 309.391 1.615 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000132365915 407781881 /nfs/dbraw/zinc/78/18/81/407781881.db2.gz KGCCBBLIHBYOJK-GFCCVEGCSA-N 0 3 309.370 1.090 20 5 DDBDHN CCc1n[nH]c(C(=O)NC[C@@H]2CCCCN2CC)c1[N+](=O)[O-] ZINC000171873518 407787402 /nfs/dbraw/zinc/78/74/02/407787402.db2.gz RLYZYNHKVCBBRR-JTQLQIEISA-N 0 3 309.370 1.485 20 5 DDBDHN Cc1nn(CCC(=O)N(C)[C@@H]2CCCN(C)C2)c(C)c1[N+](=O)[O-] ZINC000153760436 407897255 /nfs/dbraw/zinc/89/72/55/407897255.db2.gz MERJHNTWXQVHTB-CYBMUJFWSA-N 0 3 323.397 1.351 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000268135977 407907897 /nfs/dbraw/zinc/90/78/97/407907897.db2.gz CIGUGXFLKUAGKB-ZANVPECISA-N 0 3 304.350 1.390 20 5 DDBDHN C[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000272497369 407948924 /nfs/dbraw/zinc/94/89/24/407948924.db2.gz GCIVIFJGOIUMCO-WFASDCNBSA-N 0 3 317.393 1.957 20 5 DDBDHN C[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000272497367 407950239 /nfs/dbraw/zinc/95/02/39/407950239.db2.gz GCIVIFJGOIUMCO-SWLSCSKDSA-N 0 3 317.393 1.957 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000268248139 407967596 /nfs/dbraw/zinc/96/75/96/407967596.db2.gz WKVDDGCYFPWOSJ-ABAIWWIYSA-N 0 3 303.362 1.736 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CCCC[C@@H]2CN(C)C)c1[N+](=O)[O-] ZINC000188411513 407940245 /nfs/dbraw/zinc/94/02/45/407940245.db2.gz UPJAPNGNJONBDC-SNVBAGLBSA-N 0 3 309.370 1.437 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2CN(C)C)c1[N+](=O)[O-] ZINC000188411513 407940251 /nfs/dbraw/zinc/94/02/51/407940251.db2.gz UPJAPNGNJONBDC-SNVBAGLBSA-N 0 3 309.370 1.437 20 5 DDBDHN C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N1CCC[C@@H](C)C1 ZINC000245853952 408080333 /nfs/dbraw/zinc/08/03/33/408080333.db2.gz DGUGWEBIWSYPPM-GHMZBOCLSA-N 0 3 309.370 1.179 20 5 DDBDHN NCC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000263277425 408088012 /nfs/dbraw/zinc/08/80/12/408088012.db2.gz YWMRCLQXXPQPNM-UHFFFAOYSA-N 0 3 306.244 1.100 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CCN3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000269387388 408290480 /nfs/dbraw/zinc/29/04/80/408290480.db2.gz LCXLXWTZXXACFI-SNVBAGLBSA-N 0 3 307.354 1.362 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CCN3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000269387388 408290484 /nfs/dbraw/zinc/29/04/84/408290484.db2.gz LCXLXWTZXXACFI-SNVBAGLBSA-N 0 3 307.354 1.362 20 5 DDBDHN C[C@H]1C[C@@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])CCN1C ZINC000183555154 408440101 /nfs/dbraw/zinc/44/01/01/408440101.db2.gz LKYWIPUPRNYJEG-QWRGUYRKSA-N 0 3 307.354 1.936 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000270533927 408566499 /nfs/dbraw/zinc/56/64/99/408566499.db2.gz VXJKFLUFXKVOHZ-CHWSQXEVSA-N 0 3 309.391 1.712 20 5 DDBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000184337692 408593152 /nfs/dbraw/zinc/59/31/52/408593152.db2.gz XUVLXWWKATVMPM-ZDUSSCGKSA-N 0 3 320.393 1.351 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000177159468 408540410 /nfs/dbraw/zinc/54/04/10/408540410.db2.gz QULFGRXFEHRGLQ-GHMZBOCLSA-N 0 3 319.361 1.958 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCC(O)CC1 ZINC000265465224 408660861 /nfs/dbraw/zinc/66/08/61/408660861.db2.gz CRMXLTMOTLEQQT-UHFFFAOYSA-N 0 3 321.377 1.480 20 5 DDBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270746075 408663853 /nfs/dbraw/zinc/66/38/53/408663853.db2.gz HFGOYJOEADUIFR-TUAOUCFPSA-N 0 3 323.397 1.425 20 5 DDBDHN CN(C)CCN(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000177678897 408682783 /nfs/dbraw/zinc/68/27/83/408682783.db2.gz VLYWXFQZWWSLBX-UHFFFAOYSA-N 0 3 320.393 1.829 20 5 DDBDHN CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000250415624 408778543 /nfs/dbraw/zinc/77/85/43/408778543.db2.gz AAESGRFUUFXDJT-ZBFHGGJFSA-N 0 3 324.377 1.835 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCOC[C@@H]1C ZINC000277297257 408914011 /nfs/dbraw/zinc/91/40/11/408914011.db2.gz CFCPFXQQBDEHCD-JQWIXIFHSA-N 0 3 323.349 1.557 20 5 DDBDHN CNC(=O)[C@H](C)N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000291857759 408933998 /nfs/dbraw/zinc/93/39/98/408933998.db2.gz HHEQQYQJRIVLFF-UWVGGRQHSA-N 0 3 308.338 1.036 20 5 DDBDHN COCCN(C)CCCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000192684160 163231927 /nfs/dbraw/zinc/23/19/27/163231927.db2.gz ABHLWUBWOOMTGF-UHFFFAOYSA-N 0 3 309.366 1.601 20 5 DDBDHN C[C@@H]1COCC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000277522697 408957417 /nfs/dbraw/zinc/95/74/17/408957417.db2.gz QYRVZTNAILIVFE-BXUZGUMPSA-N 0 3 319.361 1.499 20 5 DDBDHN CN(C)CC1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000282443975 409054853 /nfs/dbraw/zinc/05/48/53/409054853.db2.gz GWQLKQAPPUILBX-UHFFFAOYSA-N 0 3 313.379 1.357 20 5 DDBDHN CCN1CCN(C[C@@H](C)CNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000283449734 409158787 /nfs/dbraw/zinc/15/87/87/409158787.db2.gz DOUPHGLMWKYNHR-ZDUSSCGKSA-N 0 3 321.425 1.863 20 5 DDBDHN CC(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000284000551 409255062 /nfs/dbraw/zinc/25/50/62/409255062.db2.gz NOIVAWXWPDWRMV-UHFFFAOYSA-N 0 3 324.356 1.872 20 5 DDBDHN CN1CC[C@@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293895017 409201679 /nfs/dbraw/zinc/20/16/79/409201679.db2.gz NEDMRRLFWKYBON-MRXNPFEDSA-N 0 3 303.362 1.692 20 5 DDBDHN CN(C(=O)CN[C@@H]1CCOC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000295139896 409339214 /nfs/dbraw/zinc/33/92/14/409339214.db2.gz BZXAZOSTRZLKEL-CYBMUJFWSA-N 0 3 307.350 1.715 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCOC1(C)C ZINC000295270325 409407316 /nfs/dbraw/zinc/40/73/16/409407316.db2.gz RZYSPHYYSLCUGK-CYBMUJFWSA-N 0 3 323.349 1.699 20 5 DDBDHN C[C@@H](NC(=O)[C@@H]1CN2CCN1CCC2)c1ccccc1[N+](=O)[O-] ZINC000342475241 409663422 /nfs/dbraw/zinc/66/34/22/409663422.db2.gz RNUSOYXKEITLHJ-DOMZBBRYSA-N 0 3 318.377 1.162 20 5 DDBDHN C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000357308541 409966374 /nfs/dbraw/zinc/96/63/74/409966374.db2.gz WNYSRUZWRVXNEZ-MNOVXSKESA-N 0 3 321.381 1.621 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(N2CCCN([C@@H](C)CO)CC2)c1 ZINC000338706024 410034308 /nfs/dbraw/zinc/03/43/08/410034308.db2.gz RBHUHPAAFLIBKD-LBPRGKRZSA-N 0 3 309.366 1.496 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(CC3CC3)CC2)c2nonc21 ZINC000298697983 410352293 /nfs/dbraw/zinc/35/22/93/410352293.db2.gz DOQARMRWNQYQMJ-UHFFFAOYSA-N 0 3 303.322 1.663 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343460455 410471108 /nfs/dbraw/zinc/47/11/08/410471108.db2.gz RVBOVKYMYFVITK-CHWSQXEVSA-N 0 3 320.393 1.996 20 5 DDBDHN C[C@H]1[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343609417 410568524 /nfs/dbraw/zinc/56/85/24/410568524.db2.gz SJUUGEFOEVFGRD-WCQYABFASA-N 0 3 306.366 1.877 20 5 DDBDHN CCN1CCCC[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301953350 410835550 /nfs/dbraw/zinc/83/55/50/410835550.db2.gz CRRGJRRINQBJNB-NSHDSACASA-N 0 3 304.354 1.924 20 5 DDBDHN COc1cc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000330679902 410874074 /nfs/dbraw/zinc/87/40/74/410874074.db2.gz YESWMKLXPYYBOU-CMPLNLGQSA-N 0 3 309.366 1.881 20 5 DDBDHN COc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000330679902 410874079 /nfs/dbraw/zinc/87/40/79/410874079.db2.gz YESWMKLXPYYBOU-CMPLNLGQSA-N 0 3 309.366 1.881 20 5 DDBDHN CN(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])nn1C)c1ccccc1 ZINC000356495820 411057821 /nfs/dbraw/zinc/05/78/21/411057821.db2.gz GRAAZOPSKGJSIE-GFCCVEGCSA-N 0 3 317.349 1.361 20 5 DDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H](O)C(F)F ZINC000341378143 411029413 /nfs/dbraw/zinc/02/94/13/411029413.db2.gz ZXQFLXCTMANMRG-KWQFWETISA-N 0 3 317.292 1.528 20 5 DDBDHN CN(C)CCn1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000532137444 417663069 /nfs/dbraw/zinc/66/30/69/417663069.db2.gz PMMAHSBCMZUTRL-UHFFFAOYSA-N 0 3 304.310 1.000 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCCN1CCOC ZINC000360965899 418555803 /nfs/dbraw/zinc/55/58/03/418555803.db2.gz KJYPWFKBMXKMAR-GFCCVEGCSA-N 0 3 311.386 1.642 20 5 DDBDHN O=C(CCN1CC([C@H]2CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000367130481 418563196 /nfs/dbraw/zinc/56/31/96/418563196.db2.gz HDBDPIOWBXNANM-LBPRGKRZSA-N 0 3 319.361 1.892 20 5 DDBDHN CC(C)N(C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000188140763 222008171 /nfs/dbraw/zinc/00/81/71/222008171.db2.gz VGEKPQOXXDSULP-UHFFFAOYSA-N 0 3 301.368 1.213 20 5 DDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000367836209 418643211 /nfs/dbraw/zinc/64/32/11/418643211.db2.gz RTQOLCUZXMFHDJ-ICCXJUOJSA-N 0 3 303.318 1.250 20 5 DDBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000361293307 418620449 /nfs/dbraw/zinc/62/04/49/418620449.db2.gz WNBCFRFCADELGR-BXUZGUMPSA-N 0 3 304.350 1.546 20 5 DDBDHN CNC(=O)[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000411472157 418907664 /nfs/dbraw/zinc/90/76/64/418907664.db2.gz SKWXOUIXFHTALW-AWEZNQCLSA-N 0 3 322.365 1.284 20 5 DDBDHN COc1ccc(CN[C@@H](CO)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000411993540 419553528 /nfs/dbraw/zinc/55/35/28/419553528.db2.gz LNHJITFQZPTNJN-STQMWFEESA-N 0 3 310.350 1.481 20 5 DDBDHN CC(C)N(CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC(=O)N1 ZINC000412082296 419634844 /nfs/dbraw/zinc/63/48/44/419634844.db2.gz OZFJOAQHYKSYLW-ZDUSSCGKSA-N 0 3 321.377 1.963 20 5 DDBDHN COc1cc(C(=O)N2C[C@H](C)NC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000423503973 420063871 /nfs/dbraw/zinc/06/38/71/420063871.db2.gz NFRKKDUUSLZMFN-VHSXEESVSA-N 0 3 307.350 1.734 20 5 DDBDHN C[C@H]1CCN[C@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000423718612 420140812 /nfs/dbraw/zinc/14/08/12/420140812.db2.gz CXONXMCEQWOESY-UFBFGSQYSA-N 0 3 303.322 1.798 20 5 DDBDHN CCOc1ccc([C@@H](C)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423550557 420079385 /nfs/dbraw/zinc/07/93/85/420079385.db2.gz FQCURCUGPJNMRL-DGCLKSJQSA-N 0 3 309.366 1.633 20 5 DDBDHN C[C@@H]1CC[NH2+]C[C@@H]1[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420238996 420163761 /nfs/dbraw/zinc/16/37/61/420163761.db2.gz LKNZMNSNYDQAEA-SKDRFNHKSA-N 0 3 303.322 2.055 20 5 DDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)N2 ZINC000420345279 420225048 /nfs/dbraw/zinc/22/50/48/420225048.db2.gz AJRMZDUZGLXQAL-UPJWGTAASA-N 0 3 318.377 1.748 20 5 DDBDHN CN(C)C1(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000416300131 420316613 /nfs/dbraw/zinc/31/66/13/420316613.db2.gz HUWOJRZNZFSVRB-UHFFFAOYSA-N 0 3 306.366 1.241 20 5 DDBDHN Cc1sc(S(=O)(=O)NC(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000416506253 420401347 /nfs/dbraw/zinc/40/13/47/420401347.db2.gz FLJDBGGMTIGIIQ-UHFFFAOYSA-N 0 3 321.424 1.583 20 5 DDBDHN CO[C@@H]1CCC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451635525 420606438 /nfs/dbraw/zinc/60/64/38/420606438.db2.gz XQCOLMXFRANUQX-UKRRQHHQSA-N 0 3 319.361 1.641 20 5 DDBDHN CC(C)N1CC[C@@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000457122574 420621489 /nfs/dbraw/zinc/62/14/89/420621489.db2.gz OUONMQHGLMTUHE-CYBMUJFWSA-N 0 3 320.393 1.948 20 5 DDBDHN CN(C)CCN(C)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447811105 420804845 /nfs/dbraw/zinc/80/48/45/420804845.db2.gz COSNFKQEHASZCY-UHFFFAOYSA-N 0 3 322.409 1.425 20 5 DDBDHN O=C(CCN[C@@H](CO)[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000447907621 420814873 /nfs/dbraw/zinc/81/48/73/420814873.db2.gz ACPKIGSPLXMXES-GXTWGEPZSA-N 0 3 323.349 1.053 20 5 DDBDHN C[C@@H]1NCCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])[C@H]1C ZINC000493498408 420866915 /nfs/dbraw/zinc/86/69/15/420866915.db2.gz QHAYMRZDPYGEOZ-UARRTVENSA-N 0 3 307.325 1.956 20 5 DDBDHN CC[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000459783111 420872579 /nfs/dbraw/zinc/87/25/79/420872579.db2.gz VHFKWQHKANIBEJ-KGLIPLIRSA-N 0 3 307.350 1.999 20 5 DDBDHN O=[N+]([O-])c1cccc(CN2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1 ZINC000449433158 421012036 /nfs/dbraw/zinc/01/20/36/421012036.db2.gz LASCQXKMVCSYIC-BMFZPTHFSA-N 0 3 306.362 1.957 20 5 DDBDHN CNc1nc(C(=O)NCC2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000455995661 421086089 /nfs/dbraw/zinc/08/60/89/421086089.db2.gz OGFSHFPFSFGXNN-UHFFFAOYSA-N 0 3 305.338 1.023 20 5 DDBDHN CC[C@@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NC ZINC000449773611 421080793 /nfs/dbraw/zinc/08/07/93/421080793.db2.gz KKIITDFVVHGOAV-ZWNOBZJWSA-N 0 3 322.365 1.426 20 5 DDBDHN COc1cccc(C(=O)NC[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000559823906 421226689 /nfs/dbraw/zinc/22/66/89/421226689.db2.gz PAOFLCUBUYYQQA-LLVKDONJSA-N 0 3 307.350 1.675 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000571577375 421728216 /nfs/dbraw/zinc/72/82/16/421728216.db2.gz OWLBBQTYIFDNEC-QWRGUYRKSA-N 0 3 318.377 1.992 20 5 DDBDHN CS(=O)(=O)C1(CNCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602638220 422436337 /nfs/dbraw/zinc/43/63/37/422436337.db2.gz NZFOJCHZYXWODK-UHFFFAOYSA-N 0 3 312.391 1.694 20 5 DDBDHN Cn1cc([C@H](NCCn2ccc([N+](=O)[O-])n2)C(C)(C)C)cn1 ZINC000342337625 271381265 /nfs/dbraw/zinc/38/12/65/271381265.db2.gz MUDQSFJZQPLKSD-ZDUSSCGKSA-N 0 3 306.370 1.902 20 5 DDBDHN CCN1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000344416436 272020928 /nfs/dbraw/zinc/02/09/28/272020928.db2.gz JDYZOXRTRCPRKI-ZDUSSCGKSA-N 0 3 307.398 1.675 20 5 DDBDHN C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H](C)N1C ZINC000293887613 274332038 /nfs/dbraw/zinc/33/20/38/274332038.db2.gz DFQPTWPRDICYLK-AOOOYVTPSA-N 0 3 317.349 1.636 20 5 DDBDHN CCN(C)CCNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412116270 276069215 /nfs/dbraw/zinc/06/92/15/276069215.db2.gz KGHNTWITXCLTJL-UHFFFAOYSA-N 0 3 313.329 1.353 20 5 DDBDHN CCN(CCNC(=O)c1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000277556445 276130481 /nfs/dbraw/zinc/13/04/81/276130481.db2.gz JLICUYWVXMNVIL-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN CCOC(=O)c1ccnc(N2CCNC(C)(C)C2)c1[N+](=O)[O-] ZINC000420268077 276300632 /nfs/dbraw/zinc/30/06/32/276300632.db2.gz DOYOXMHCJFECPJ-UHFFFAOYSA-N 0 3 308.338 1.355 20 5 DDBDHN C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000289926243 279118308 /nfs/dbraw/zinc/11/83/08/279118308.db2.gz URGVVZBQDTVQAX-CZUORRHYSA-N 0 3 305.378 1.890 20 5 DDBDHN Cc1[nH]nc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295425853 280188257 /nfs/dbraw/zinc/18/82/57/280188257.db2.gz UJKSOZLRZBBUIA-SECBINFHSA-N 0 3 307.354 1.183 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295425853 280188258 /nfs/dbraw/zinc/18/82/58/280188258.db2.gz UJKSOZLRZBBUIA-SECBINFHSA-N 0 3 307.354 1.183 20 5 DDBDHN O=C(CCN1CCN(C2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000126083126 281225974 /nfs/dbraw/zinc/22/59/74/281225974.db2.gz PWDLLHNRIRGGCN-UHFFFAOYSA-N 0 3 318.377 1.703 20 5 DDBDHN CN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CCN(C)CC1 ZINC000330573777 288784351 /nfs/dbraw/zinc/78/43/51/288784351.db2.gz NYGUFFQRLJAZDC-UHFFFAOYSA-N 0 3 309.370 1.079 20 5 DDBDHN COc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000573237151 304585137 /nfs/dbraw/zinc/58/51/37/304585137.db2.gz ZOKCIQOSRPDXLP-AWEZNQCLSA-N 0 3 320.349 1.259 20 5 DDBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000363874437 300319874 /nfs/dbraw/zinc/31/98/74/300319874.db2.gz JESNGQPTZPVPSG-NSHDSACASA-N 0 3 304.350 1.737 20 5 DDBDHN CN1CC[C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C[C@H]21 ZINC000364300792 300372425 /nfs/dbraw/zinc/37/24/25/300372425.db2.gz GURFOZRAFNSNMS-NXEZZACHSA-N 0 3 307.379 1.834 20 5 DDBDHN CC(C)[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)N(C)C ZINC000365926863 300610180 /nfs/dbraw/zinc/61/01/80/300610180.db2.gz GDIVFBYCNZPXHF-CQSZACIVSA-N 0 3 323.397 1.541 20 5 DDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CNCC[C@@H]1C ZINC000193398493 301014900 /nfs/dbraw/zinc/01/49/00/301014900.db2.gz PKMYYUQZIJFBRR-ONGXEEELSA-N 0 3 313.379 1.180 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000368590257 301059838 /nfs/dbraw/zinc/05/98/38/301059838.db2.gz KJKJCAFWGXTFHR-YGRLFVJLSA-N 0 3 307.325 1.900 20 5 DDBDHN CN1CCN(C[C@H]2CCCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000369027632 301121095 /nfs/dbraw/zinc/12/10/95/301121095.db2.gz PSHMFEFJUPZKPX-CQSZACIVSA-N 0 3 319.409 1.454 20 5 DDBDHN Cc1cc(C)c(S(=O)(=O)N[C@H]2CCCNC2)cc1[N+](=O)[O-] ZINC000193233095 301199587 /nfs/dbraw/zinc/19/95/87/301199587.db2.gz QDHQRYZQMCSKLL-NSHDSACASA-N 0 3 313.379 1.242 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000370445626 301340806 /nfs/dbraw/zinc/34/08/06/301340806.db2.gz WHMUTWSFPFXMPS-SMDDNHRTSA-N 0 3 319.361 1.770 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H]2OCC[C@H]2C1 ZINC000376048122 302031141 /nfs/dbraw/zinc/03/11/41/302031141.db2.gz PYFBGFASRWGYQX-GZBFAFLISA-N 0 3 322.361 1.445 20 5 DDBDHN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCN2CCC1CC2 ZINC000357002204 306866935 /nfs/dbraw/zinc/86/69/35/306866935.db2.gz VAOCVSLLGUDLPE-UHFFFAOYSA-N 0 3 314.345 1.996 20 5 DDBDHN N[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1c1ccc(F)cc1 ZINC000364164728 307042462 /nfs/dbraw/zinc/04/24/62/307042462.db2.gz BSTTUAHIMLLDOI-NEPJUHHUSA-N 0 3 319.292 1.894 20 5 DDBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](c3nnc[nH]3)C2)c1 ZINC000377988180 307279837 /nfs/dbraw/zinc/27/98/37/307279837.db2.gz JNRZXPBBYFVXEG-LBPRGKRZSA-N 0 3 317.349 1.971 20 5 DDBDHN CCOC1CC(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000570113314 308159080 /nfs/dbraw/zinc/15/90/80/308159080.db2.gz VZMSXXXJIIUKNO-UHFFFAOYSA-N 0 3 320.393 1.927 20 5 DDBDHN COc1ccc(CN[C@H](C)C[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC000422951212 533697790 /nfs/dbraw/zinc/69/77/90/533697790.db2.gz ZWAARSCEDWYBJX-YPMHNXCESA-N 0 3 309.366 1.460 20 5 DDBDHN COc1cc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c([N+](=O)[O-])cc1F ZINC000590767510 483927282 /nfs/dbraw/zinc/92/72/82/483927282.db2.gz ILGYEBQLIKQDOU-TVQRCGJNSA-N 0 3 323.324 1.519 20 5 DDBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000491561350 534776657 /nfs/dbraw/zinc/77/66/57/534776657.db2.gz JRXKHSIFJNDSNL-ZHAHRWAOSA-N 0 3 301.346 1.961 20 5 DDBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000330825863 527928170 /nfs/dbraw/zinc/92/81/70/527928170.db2.gz IITFEEWEBYUZRJ-CHWSQXEVSA-N 0 3 320.393 1.948 20 5 DDBDHN O=C(N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1)C(F)F ZINC000982959317 697195826 /nfs/dbraw/zinc/19/58/26/697195826.db2.gz ZCEOYLDKYBWUGK-XWEPSHTISA-N 0 3 319.333 1.906 20 5 DDBDHN COC(=O)[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000787326593 699206191 /nfs/dbraw/zinc/20/61/91/699206191.db2.gz IMCGWWXDCBCSOX-LERXQTSPSA-N 0 3 308.334 1.512 20 5 DDBDHN Cc1cc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000758336321 700699580 /nfs/dbraw/zinc/69/95/80/700699580.db2.gz PVEFHNWFDPSHDM-GWCFXTLKSA-N 0 3 318.377 1.698 20 5 DDBDHN CN1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000839714488 701794289 /nfs/dbraw/zinc/79/42/89/701794289.db2.gz JOHPRBWPAQQOPM-AAVRWANBSA-N 0 3 323.780 1.867 20 5 DDBDHN CC(COC(=O)Cc1cc(Cl)c2c(c1)OCCO2)[N+](=O)[O-] ZINC000813110841 702297003 /nfs/dbraw/zinc/29/70/03/702297003.db2.gz KMMJTBLTRIGIFE-MRVPVSSYSA-N 0 3 315.709 1.862 20 5 DDBDHN CC(COC(=O)c1ccccc1S(=O)(=O)C(F)F)[N+](=O)[O-] ZINC000842363331 702709012 /nfs/dbraw/zinc/70/90/12/702709012.db2.gz GFBDNMXWWUCNOM-ZETCQYMHSA-N 0 3 323.273 1.505 20 5 DDBDHN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC(=O)N(C)C1 ZINC000846921252 703351829 /nfs/dbraw/zinc/35/18/29/703351829.db2.gz REWZLMBIIVVDEW-UONOGXRCSA-N 0 3 307.350 1.181 20 5 DDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000848353162 703542268 /nfs/dbraw/zinc/54/22/68/703542268.db2.gz YIITWRMBONOIPY-QWHCGFSZSA-N 0 3 319.365 1.319 20 5 DDBDHN C[NH2+]C(C)(C)C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848585700 703565864 /nfs/dbraw/zinc/56/58/64/703565864.db2.gz NZOHHTZQLGSPLY-UHFFFAOYSA-N 0 3 317.292 1.681 20 5 DDBDHN COc1cccc([N+](=O)[O-])c1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000848659583 703572881 /nfs/dbraw/zinc/57/28/81/703572881.db2.gz MPSLQAVJWCFHTJ-VXGBXAGGSA-N 0 3 307.350 1.879 20 5 DDBDHN N[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1F ZINC000851648288 703822512 /nfs/dbraw/zinc/82/25/12/703822512.db2.gz AIXAVRKTVICKHD-MWLCHTKSSA-N 0 3 315.276 1.010 20 5 DDBDHN CC1(C)OC[C@@H](CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000851843155 703868790 /nfs/dbraw/zinc/86/87/90/703868790.db2.gz ATWWYMWDOLCOQL-DGCLKSJQSA-N 0 3 322.365 1.628 20 5 DDBDHN CC(C)(C)C(=O)NCCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818989082 704044484 /nfs/dbraw/zinc/04/44/84/704044484.db2.gz IGIPTDTXMLFUCH-CYBMUJFWSA-N 0 3 309.366 1.380 20 5 DDBDHN CC(C)(C)[S@](=O)CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819054791 704060587 /nfs/dbraw/zinc/06/05/87/704060587.db2.gz BOZXSKLQZYREFA-LRTDBIEQSA-N 0 3 314.407 1.765 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@](O)(C3CC3)C2)c1 ZINC000852500982 704064053 /nfs/dbraw/zinc/06/40/53/704064053.db2.gz HFWBVBZQQYVKLA-CVEARBPZSA-N 0 3 306.362 1.865 20 5 DDBDHN CC[C@@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000856407636 704527394 /nfs/dbraw/zinc/52/73/94/704527394.db2.gz WCHAWCUXDBSKLA-SUHUHFCYSA-N 0 3 307.350 1.227 20 5 DDBDHN CC(C)[C@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000856490363 704531118 /nfs/dbraw/zinc/53/11/18/704531118.db2.gz JYIMVQMJAFEYMI-KGLIPLIRSA-N 0 3 307.350 1.085 20 5 DDBDHN C[C@H]1c2sccc2CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880377832 706956451 /nfs/dbraw/zinc/95/64/51/706956451.db2.gz GMMNFRWPBVZAQK-GXFFZTMASA-N 0 3 322.390 1.833 20 5 DDBDHN CCN1CC[C@H]2OCCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]2C1 ZINC000832866749 706996854 /nfs/dbraw/zinc/99/68/54/706996854.db2.gz XEENBNYUPFZNPZ-QWHCGFSZSA-N 0 3 313.398 1.144 20 5 DDBDHN Cc1c(CNC[C@@H]2COC3(CCOCC3)O2)cccc1[N+](=O)[O-] ZINC000873102292 707732573 /nfs/dbraw/zinc/73/25/73/707732573.db2.gz IYYCZZXJGRTATE-CQSZACIVSA-N 0 3 322.361 1.915 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCCN3CCO)c1 ZINC000897218127 708256388 /nfs/dbraw/zinc/25/63/88/708256388.db2.gz BCLCBHKBTOAKAM-KBPBESRZSA-N 0 3 321.377 1.639 20 5 DDBDHN COc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000897219631 708257285 /nfs/dbraw/zinc/25/72/85/708257285.db2.gz MEXGMYHIKGALJH-OLZOCXBDSA-N 0 3 322.365 1.034 20 5 DDBDHN Cc1ccc(CNC(=O)N2CCN[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000892537241 710454039 /nfs/dbraw/zinc/45/40/39/710454039.db2.gz QGMSIZZBLVEYDN-NEPJUHHUSA-N 0 3 306.366 1.795 20 5 DDBDHN COc1cc(OCC(=O)N[C@@H]2CCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000928442804 713198073 /nfs/dbraw/zinc/19/80/73/713198073.db2.gz CFFOFIPZLTVHGL-ZYHUDNBSSA-N 0 3 323.349 1.191 20 5 DDBDHN COc1cc([C@H](C)N[C@H]2CCC(=O)N(C)C2)cc([N+](=O)[O-])c1 ZINC000903098359 711031142 /nfs/dbraw/zinc/03/11/42/711031142.db2.gz NPAWHJAFXDKZKC-JQWIXIFHSA-N 0 3 307.350 1.875 20 5 DDBDHN COc1cc([C@H](C)NC[C@]2(C)CCC(=O)N2)cc([N+](=O)[O-])c1 ZINC000903183440 711057512 /nfs/dbraw/zinc/05/75/12/711057512.db2.gz ONIQFVCFKANMNF-BONVTDFDSA-N 0 3 307.350 1.923 20 5 DDBDHN CCN1CCC[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000905550270 712074006 /nfs/dbraw/zinc/07/40/06/712074006.db2.gz IRFUPLCXCRUEEN-KGLIPLIRSA-N 0 3 307.350 1.229 20 5 DDBDHN C[C@H]1[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000917789288 713513941 /nfs/dbraw/zinc/51/39/41/713513941.db2.gz MLOUYNZUJNVMGO-SMDDNHRTSA-N 0 3 322.365 1.365 20 5 DDBDHN O=C1NC[C@@H](O)CC12CCN(Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000932840222 714424031 /nfs/dbraw/zinc/42/40/31/714424031.db2.gz WIAKXVIOJIMOTP-AWEZNQCLSA-N 0 3 319.361 1.058 20 5 DDBDHN CN1CCN(C)CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000933992695 714717071 /nfs/dbraw/zinc/71/70/71/714717071.db2.gz PGZDEQMFAWSMLZ-UHFFFAOYSA-N 0 3 310.373 1.413 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(C)CCN(C)CC1 ZINC000933993865 714717694 /nfs/dbraw/zinc/71/76/94/714717694.db2.gz QPUXWWQLIOLILV-UHFFFAOYSA-N 0 3 322.409 1.283 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000925309438 714803344 /nfs/dbraw/zinc/80/33/44/714803344.db2.gz ZYLBKTMLDMCLLC-ONGXEEELSA-N 0 3 308.338 1.818 20 5 DDBDHN Cc1ncoc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125317670 732715302 /nfs/dbraw/zinc/71/53/02/732715302.db2.gz TUJYSLTZLBXSKR-UHFFFAOYSA-N 0 3 304.306 1.411 20 5 DDBDHN CCN(CC)CC(=O)NCCN(C)c1nccc(C)c1[N+](=O)[O-] ZINC001100125766 762021657 /nfs/dbraw/zinc/02/16/57/762021657.db2.gz LYNYFXRJCKVCHY-UHFFFAOYSA-N 0 3 323.397 1.192 20 5 DDBDHN Cc1cc(N2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)ncn1 ZINC001169054955 762210271 /nfs/dbraw/zinc/21/02/71/762210271.db2.gz OMASTKBHHPMCCO-ZIAGYGMSSA-N 0 3 305.382 1.352 20 5 DDBDHN Cc1ccnc(N2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169057114 762211116 /nfs/dbraw/zinc/21/11/16/762211116.db2.gz UYMHUMFZJLGLEG-KBPBESRZSA-N 0 3 305.382 1.352 20 5 DDBDHN C[C@H](Nc1cc2cccnc2c([N+](=O)[O-])c1)[C@H]1CNCCO1 ZINC001170567283 768176226 /nfs/dbraw/zinc/17/62/26/768176226.db2.gz CQKWVISSWFGZTE-IINYFYTJSA-N 0 3 302.334 1.932 20 5 DDBDHN Cc1n[nH]c(C)c1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001135421385 771511549 /nfs/dbraw/zinc/51/15/49/771511549.db2.gz YXUCZWXLAMLGAQ-UHFFFAOYSA-N 0 3 317.349 1.454 20 5 DDBDHN Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H](C)[C@@H]2CNCCO2)n1 ZINC001159496534 771605352 /nfs/dbraw/zinc/60/53/52/771605352.db2.gz JPGKROVBPJXJIF-SVRRBLITSA-N 0 3 301.734 1.135 20 5 DDBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2C[C@@H](O)[C@@H](O)C2)o1 ZINC001179603320 779425367 /nfs/dbraw/zinc/42/53/67/779425367.db2.gz WAGNNMINGZVINL-LYILDCAHSA-N 0 3 318.329 1.829 20 5 DDBDHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC001268515215 840349633 /nfs/dbraw/zinc/34/96/33/840349633.db2.gz SLVNYZVLZZXCJG-UPHRSURJSA-N 0 3 315.333 1.394 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N(CCOC)CCN(C)C ZINC001326652817 861511668 /nfs/dbraw/zinc/51/16/68/861511668.db2.gz FNDVDVCDLMDNIX-UHFFFAOYSA-N 0 3 324.381 1.287 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)cc(NCc2nnn3c2CNCCC3)n1 ZINC001155394480 862036054 /nfs/dbraw/zinc/03/60/54/862036054.db2.gz WRQFWPYAIOVNMI-UHFFFAOYSA-N 0 3 323.744 1.340 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CCN1C1CCOCC1 ZINC001123344660 859185762 /nfs/dbraw/zinc/18/57/62/859185762.db2.gz BXHNBHYSCMIUTG-LBPRGKRZSA-N 0 3 323.349 1.343 20 5 DDBDHN COC(=O)c1ccnc(N2C[C@H]3CCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC001157265912 863695605 /nfs/dbraw/zinc/69/56/05/863695605.db2.gz LIBVLZJHMNBHNH-PWSUYJOCSA-N 0 3 320.349 1.307 20 5 DDBDHN COc1cc2ncnc(N3CCNC4(CC4)C3)c2cc1[N+](=O)[O-] ZINC001158936805 864984897 /nfs/dbraw/zinc/98/48/97/864984897.db2.gz QREPEIOZJSEYGS-UHFFFAOYSA-N 0 3 315.333 1.489 20 5 DDBDHN CN1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001331347958 865023012 /nfs/dbraw/zinc/02/30/12/865023012.db2.gz OTHQQYJZAIXZHM-AAVRWANBSA-N 0 3 307.325 1.352 20 5 DDBDHN C[C@@H](Nc1cnc2ccc([N+](=O)[O-])cc2n1)[C@H]1CNCCO1 ZINC001159497451 865349504 /nfs/dbraw/zinc/34/95/04/865349504.db2.gz OAUOGJYFEDVDLK-NOZJJQNGSA-N 0 3 303.322 1.327 20 5 DDBDHN CN1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1(C)C ZINC001337168675 869359607 /nfs/dbraw/zinc/35/96/07/869359607.db2.gz AZVVQUWDEVPYLJ-UHFFFAOYSA-N 0 3 303.366 1.928 20 5 DDBDHN O=[N+]([O-])c1c(Cl)nc(Cl)nc1-n1ncc2c1CCNC2 ZINC001165218999 869442412 /nfs/dbraw/zinc/44/24/12/869442412.db2.gz UKLJELIEEZHCNF-UHFFFAOYSA-N 0 3 315.120 1.523 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCCN1C ZINC001338020101 869748614 /nfs/dbraw/zinc/74/86/14/869748614.db2.gz BARXBUBEQMJWOE-LBPRGKRZSA-N 0 3 306.366 1.851 20 5 DDBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccn1 ZINC001317560762 871077108 /nfs/dbraw/zinc/07/71/08/871077108.db2.gz JEFBKGYIHMCLJZ-UHFFFAOYSA-N 0 3 314.345 1.852 20 5 DDBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2cc(Cl)ccc2[n-]1 ZINC001227262260 882942243 /nfs/dbraw/zinc/94/22/43/882942243.db2.gz LGJUOXGUSSXHNH-SNVBAGLBSA-N 0 3 312.777 1.579 20 5 DDBDHN CCN1CC[C@@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001234361137 887908110 /nfs/dbraw/zinc/90/81/10/887908110.db2.gz ZJVOHBQQUTYRQP-CQSZACIVSA-N 0 3 321.377 1.904 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2CCN(C[C@@H]3CCOC3)CC2)cc1F ZINC000278761168 214382871 /nfs/dbraw/zinc/38/28/71/214382871.db2.gz XUWQBCJHRRZBOB-AWEZNQCLSA-N 0 3 323.368 1.888 20 5 DDBDHN CN(C)C1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000614992372 362108401 /nfs/dbraw/zinc/10/84/01/362108401.db2.gz FJHMPAISCMPKOI-UHFFFAOYSA-N 0 3 321.377 1.940 20 5 DDBDHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000615293331 362240288 /nfs/dbraw/zinc/24/02/88/362240288.db2.gz JIKOJZZLDAROJO-CHWSQXEVSA-N 0 3 313.379 1.356 20 5 DDBDHN C[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)N(C)C1CC1 ZINC000181465855 199300728 /nfs/dbraw/zinc/30/07/28/199300728.db2.gz SGSCRUKHOVTNPE-VIFPVBQESA-N 0 3 321.333 1.536 20 5 DDBDHN CC[C@@H](NCCN1C(=O)CNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000181527602 199312446 /nfs/dbraw/zinc/31/24/46/199312446.db2.gz TVFQECCFFLTJIU-GFCCVEGCSA-N 0 3 306.322 1.187 20 5 DDBDHN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 ZINC000616092299 362543603 /nfs/dbraw/zinc/54/36/03/362543603.db2.gz YLGJRGYFHQYFQQ-HNNXBMFYSA-N 0 3 316.361 1.966 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000286861418 219199352 /nfs/dbraw/zinc/19/93/52/219199352.db2.gz CFSNRAYXQSQDHH-JTQLQIEISA-N 0 3 302.334 1.823 20 5 DDBDHN CCOC(=O)c1cc(C(=O)NC[C@H](C)N(C)C)cc([N+](=O)[O-])c1 ZINC000025148928 352194875 /nfs/dbraw/zinc/19/48/75/352194875.db2.gz QPEQLIXMBMUQRB-JTQLQIEISA-N 0 3 323.349 1.451 20 5 DDBDHN C[C@H]1CCCN(CCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000046863490 352466718 /nfs/dbraw/zinc/46/67/18/352466718.db2.gz KZKZRBGGVBEHAY-ZDUSSCGKSA-N 0 3 321.377 1.822 20 5 DDBDHN C[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(C)C ZINC000067162001 353036469 /nfs/dbraw/zinc/03/64/69/353036469.db2.gz HGBOIRIFEKBJSP-NSHDSACASA-N 0 3 317.349 1.460 20 5 DDBDHN COCCN1CCC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000069529188 353165678 /nfs/dbraw/zinc/16/56/78/353165678.db2.gz JPVJIFFOVWMPKC-GFCCVEGCSA-N 0 3 307.350 1.435 20 5 DDBDHN CCN1CCN(CCCNc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000092607669 353863466 /nfs/dbraw/zinc/86/34/66/353863466.db2.gz LWLNJYOPKQHLGA-UHFFFAOYSA-N 0 3 307.398 1.738 20 5 DDBDHN CCN1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC)C1 ZINC000112076012 353970281 /nfs/dbraw/zinc/97/02/81/353970281.db2.gz FVBVSYNSQNCSJO-LLVKDONJSA-N 0 3 306.366 1.851 20 5 DDBDHN CN1CCC[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000108342750 353951120 /nfs/dbraw/zinc/95/11/20/353951120.db2.gz GILLHDNGKFHMJM-GFCCVEGCSA-N 0 3 307.350 1.432 20 5 DDBDHN CN1CCC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000108346738 353951178 /nfs/dbraw/zinc/95/11/78/353951178.db2.gz GELRCCKKJUEHSV-LBPRGKRZSA-N 0 3 307.350 1.432 20 5 DDBDHN NC[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000401708772 354665019 /nfs/dbraw/zinc/66/50/19/354665019.db2.gz GOXBAQGGDXKAQM-QMMMGPOBSA-N 0 3 311.647 1.868 20 5 DDBDHN CN(C)C[C@H](CO)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000589102065 354959177 /nfs/dbraw/zinc/95/91/77/354959177.db2.gz YCBLIQGVLVXAQK-MRVPVSSYSA-N 0 3 319.159 1.087 20 5 DDBDHN CN1C[C@@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@@H]2C1 ZINC000590010681 355040148 /nfs/dbraw/zinc/04/01/48/355040148.db2.gz OSRDJTJXTLYSJK-XHDPSFHLSA-N 0 3 319.361 1.597 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@@H]2C1 ZINC000590445476 355098861 /nfs/dbraw/zinc/09/88/61/355098861.db2.gz MYSYZPLZJCWVOV-ZUZCIYMTSA-N 0 3 314.345 1.852 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN2CCC[C@@H]2C1 ZINC000332580474 235140620 /nfs/dbraw/zinc/14/06/20/235140620.db2.gz HTPDBWDARYWDLN-CYBMUJFWSA-N 0 3 318.377 1.622 20 5 DDBDHN CN(C)C1(CNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 ZINC000591369167 355302628 /nfs/dbraw/zinc/30/26/28/355302628.db2.gz YBDMGYOWOVYEMZ-UHFFFAOYSA-N 0 3 319.365 1.291 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]3CN(C)C[C@H]32)c1 ZINC000593029327 355774594 /nfs/dbraw/zinc/77/45/94/355774594.db2.gz FFXPAVAPRACXDH-SWLSCSKDSA-N 0 3 319.361 1.517 20 5 DDBDHN CN(C)CCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000593893749 356045511 /nfs/dbraw/zinc/04/55/11/356045511.db2.gz AEUKQIVQNVPKTI-UHFFFAOYSA-N 0 3 309.341 1.829 20 5 DDBDHN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594081517 356108038 /nfs/dbraw/zinc/10/80/38/356108038.db2.gz OFPMLORGBRPJLP-DGCLKSJQSA-N 0 3 319.365 1.550 20 5 DDBDHN CNC(=O)CCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593959143 356072778 /nfs/dbraw/zinc/07/27/78/356072778.db2.gz HXHZLSJXKRGLBM-UHFFFAOYSA-N 0 3 321.377 1.964 20 5 DDBDHN CSc1ccc(C(=O)N[C@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594451612 356221508 /nfs/dbraw/zinc/22/15/08/356221508.db2.gz OJKAUMUVXDORSX-SECBINFHSA-N 0 3 323.296 1.936 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCN1CCO[C@@H](C)C1 ZINC000595012868 356371886 /nfs/dbraw/zinc/37/18/86/356371886.db2.gz PLRSZTIHVAKUHU-STQMWFEESA-N 0 3 323.393 1.975 20 5 DDBDHN CCN1CCN([C@H]2CCN(Cc3onc(C)c3[N+](=O)[O-])C2)CC1 ZINC000595315303 356446640 /nfs/dbraw/zinc/44/66/40/356446640.db2.gz ZYQJMFIVSKJVLR-ZDUSSCGKSA-N 0 3 323.397 1.103 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1(NC2CC2)CCC1 ZINC000595932070 356710315 /nfs/dbraw/zinc/71/03/15/356710315.db2.gz KOFZBQUSNWLLGF-UHFFFAOYSA-N 0 3 319.361 1.894 20 5 DDBDHN CCN1CCN([C@@H](C)CNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596078534 356765347 /nfs/dbraw/zinc/76/53/47/356765347.db2.gz SVWVPKIAJMJFFY-NSHDSACASA-N 0 3 309.370 1.133 20 5 DDBDHN CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1C ZINC000596206012 356813574 /nfs/dbraw/zinc/81/35/74/356813574.db2.gz JWLIDHNVNHCMNZ-AWEZNQCLSA-N 0 3 306.366 1.470 20 5 DDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000597857314 357360224 /nfs/dbraw/zinc/36/02/24/357360224.db2.gz DBVIPDAFQVIQKB-LLVKDONJSA-N 0 3 323.397 1.515 20 5 DDBDHN CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000597944553 357393537 /nfs/dbraw/zinc/39/35/37/357393537.db2.gz FBKDZTXRTDRAII-ZDUSSCGKSA-N 0 3 320.393 1.584 20 5 DDBDHN CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000597946005 357393820 /nfs/dbraw/zinc/39/38/20/357393820.db2.gz MKQIXAHPBPAMNO-SNVBAGLBSA-N 0 3 309.370 1.608 20 5 DDBDHN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000597946005 357393825 /nfs/dbraw/zinc/39/38/25/357393825.db2.gz MKQIXAHPBPAMNO-SNVBAGLBSA-N 0 3 309.370 1.608 20 5 DDBDHN CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCN(C)C1 ZINC000597946879 357394705 /nfs/dbraw/zinc/39/47/05/357394705.db2.gz RVLJNSDNAPGQSL-LBPRGKRZSA-N 0 3 307.350 1.770 20 5 DDBDHN COC(=O)[C@]1(C)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178866893 198943510 /nfs/dbraw/zinc/94/35/10/198943510.db2.gz DPESEKAWIDKYPG-DZGCQCFKSA-N 0 3 308.334 1.513 20 5 DDBDHN CN1CC[C@](O)(CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599064838 357806100 /nfs/dbraw/zinc/80/61/00/357806100.db2.gz FONYJIVDEMXNFT-HNNXBMFYSA-N 0 3 302.334 1.622 20 5 DDBDHN NC(=O)c1ccnc(NC[C@@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000599163076 357834723 /nfs/dbraw/zinc/83/47/23/357834723.db2.gz ATCHAGJVUDDUOQ-NSHDSACASA-N 0 3 319.365 1.518 20 5 DDBDHN O=[N+]([O-])c1cc2c(ncnc2NCCN2CC[C@H](O)C2)s1 ZINC000599199221 357847622 /nfs/dbraw/zinc/84/76/22/357847622.db2.gz HJORLFBIMJVBEM-QMMMGPOBSA-N 0 3 309.351 1.078 20 5 DDBDHN Cc1nn(C[C@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000601956661 358753050 /nfs/dbraw/zinc/75/30/50/358753050.db2.gz GWJCLDUZARHMCY-INIZCTEOSA-N 0 3 316.361 1.737 20 5 DDBDHN CO[C@@]1(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCOC1 ZINC000602472606 359001666 /nfs/dbraw/zinc/00/16/66/359001666.db2.gz JBTCOSOISMCYIR-IUODEOHRSA-N 0 3 322.365 1.282 20 5 DDBDHN COCCOC1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602786709 359191478 /nfs/dbraw/zinc/19/14/78/359191478.db2.gz ZSLBBUHCAUMNQQ-UHFFFAOYSA-N 0 3 312.370 1.227 20 5 DDBDHN COC(=O)CC1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602762264 359172534 /nfs/dbraw/zinc/17/25/34/359172534.db2.gz DOCYULADYGKWHC-UHFFFAOYSA-N 0 3 310.354 1.375 20 5 DDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000602831702 359223417 /nfs/dbraw/zinc/22/34/17/359223417.db2.gz PWHXIDNHNMMMKF-DOTOQJQBSA-N 0 3 322.405 1.981 20 5 DDBDHN C[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602930626 359300849 /nfs/dbraw/zinc/30/08/49/359300849.db2.gz IDILTDPBBBZSBQ-RDBSUJKOSA-N 0 3 324.377 1.427 20 5 DDBDHN CCn1nccc1CCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963737 359328090 /nfs/dbraw/zinc/32/80/90/359328090.db2.gz ZKARILVFKNJTLN-MRXNPFEDSA-N 0 3 318.377 1.851 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCN(c2ccncc2)CC1 ZINC000604044489 359714099 /nfs/dbraw/zinc/71/40/99/359714099.db2.gz QKFQVKKXIITIPZ-UHFFFAOYSA-N 0 3 301.306 1.280 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000604265800 359730539 /nfs/dbraw/zinc/73/05/39/359730539.db2.gz RUBPOFULYGKDLZ-GFCCVEGCSA-N 0 3 306.366 1.634 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CCCN(C)C1 ZINC000604290911 359732415 /nfs/dbraw/zinc/73/24/15/359732415.db2.gz LXZWBRUKWNTYKG-LBPRGKRZSA-N 0 3 322.365 1.497 20 5 DDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000237612186 202303587 /nfs/dbraw/zinc/30/35/87/202303587.db2.gz GNCJUCVYANRARE-VHSXEESVSA-N 0 3 311.769 2.000 20 5 DDBDHN CN(CC(=O)N[C@@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC000610292834 360411168 /nfs/dbraw/zinc/41/11/68/360411168.db2.gz QJOJKEIKAZPASC-GFCCVEGCSA-N 0 3 306.366 1.241 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](n2ccnc2)C1 ZINC000611185064 360652939 /nfs/dbraw/zinc/65/29/39/360652939.db2.gz HAEWWYZKLCMALE-ZDUSSCGKSA-N 0 3 317.349 1.290 20 5 DDBDHN CN1CC=C(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000271899824 209308736 /nfs/dbraw/zinc/30/87/36/209308736.db2.gz GOQBGJPDYAQCEF-UHFFFAOYSA-N 0 3 308.313 1.308 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1N1CCCN(CCO)CC1)CCN2 ZINC000275333315 212275656 /nfs/dbraw/zinc/27/56/56/212275656.db2.gz GIQVZMVBMNRBRT-UHFFFAOYSA-N 0 3 306.366 1.067 20 5 DDBDHN O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCCC1 ZINC000566209283 304129319 /nfs/dbraw/zinc/12/93/19/304129319.db2.gz RRUMHWMPLBWDSJ-UHFFFAOYSA-N 0 3 318.333 1.897 20 5 DDBDHN CCc1ccc(C(=O)NCCNc2ccncc2)cc1[N+](=O)[O-] ZINC000351145233 284304829 /nfs/dbraw/zinc/30/48/29/284304829.db2.gz ZQHJTGPRLWLNQN-UHFFFAOYSA-N 0 3 314.345 1.816 20 5 DDBDHN C[C@H]1CN(CCN(C)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000282538871 217072619 /nfs/dbraw/zinc/07/26/19/217072619.db2.gz VWWODLAKRZJBRA-AWEZNQCLSA-N 0 3 307.394 1.790 20 5 DDBDHN COCC1(C)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337062356 249336153 /nfs/dbraw/zinc/33/61/53/249336153.db2.gz YEVKMPYDRZYFPA-UHFFFAOYSA-N 0 3 307.350 1.892 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359657409 299508415 /nfs/dbraw/zinc/50/84/15/299508415.db2.gz GJLMSXVPTSEKHW-NSHDSACASA-N 0 3 322.365 1.449 20 5 DDBDHN CO[C@@H]1COC[C@H]1NCCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000567731266 304237955 /nfs/dbraw/zinc/23/79/55/304237955.db2.gz KZGHEZBDVRLOHY-TZMCWYRMSA-N 0 3 323.349 1.235 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2noc(N3C[C@H]4CCC[C@@H](C3)N4)n2)cc1 ZINC000420238627 285107515 /nfs/dbraw/zinc/10/75/15/285107515.db2.gz NSVLWVURBFZBHF-TXEJJXNPSA-N 0 3 315.333 1.976 20 5 DDBDHN C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272995108 210376839 /nfs/dbraw/zinc/37/68/39/210376839.db2.gz QNZKCRPEPIBKFN-GFCCVEGCSA-N 0 3 319.361 1.740 20 5 DDBDHN CN(C)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000158952879 197313841 /nfs/dbraw/zinc/31/38/41/197313841.db2.gz NHKTZTMUXOCLBN-LLVKDONJSA-N 0 3 321.312 1.490 20 5 DDBDHN C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272951045 210338965 /nfs/dbraw/zinc/33/89/65/210338965.db2.gz MRXDCBVLZAMSQC-SNVBAGLBSA-N 0 3 304.350 1.557 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@]1(C)CCO[C@@H]1C ZINC000494237776 533138949 /nfs/dbraw/zinc/13/89/49/533138949.db2.gz MZHXHRJWLUZGTJ-MEBBXXQBSA-N 0 3 323.349 1.699 20 5 DDBDHN COc1cc(CN(C)C[C@@H]2CCN(C(C)=O)C2)ccc1[N+](=O)[O-] ZINC000352765923 285285585 /nfs/dbraw/zinc/28/55/85/285285585.db2.gz APMYHTHAQWMQFV-AWEZNQCLSA-N 0 3 321.377 1.904 20 5 DDBDHN C[C@@H]1CSC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000352802355 285311521 /nfs/dbraw/zinc/31/15/21/285311521.db2.gz VSHSRXUZPXOAAN-ZWNOBZJWSA-N 0 3 321.402 1.825 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000414662652 533225683 /nfs/dbraw/zinc/22/56/83/533225683.db2.gz ZLWPSSNMCDJCBP-NXEZZACHSA-N 0 3 308.338 1.818 20 5 DDBDHN CN(C)CCN(CCN(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000078489862 407030553 /nfs/dbraw/zinc/03/05/53/407030553.db2.gz PXBQSAMTTBUBJN-UHFFFAOYSA-N 0 3 323.397 1.552 20 5 DDBDHN CN(CC(=O)NCCN1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000079559888 407058282 /nfs/dbraw/zinc/05/82/82/407058282.db2.gz CHISTGAARNWPHV-UHFFFAOYSA-N 0 3 320.393 1.633 20 5 DDBDHN COc1ccc(CN[C@H](C)CC[S@@](C)=O)cc1[N+](=O)[O-] ZINC000125570387 407392104 /nfs/dbraw/zinc/39/21/04/407392104.db2.gz BBMJNFKHTOZSKP-SBKAZYGRSA-N 0 3 300.380 1.850 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CCN(C)C)CC1 ZINC000195328848 407451770 /nfs/dbraw/zinc/45/17/70/407451770.db2.gz NEKRMUIDJUNUJN-UHFFFAOYSA-N 0 3 320.393 1.223 20 5 DDBDHN CCCN(CC)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185885737 407531333 /nfs/dbraw/zinc/53/13/33/407531333.db2.gz LQAULHNAXRYHKB-UHFFFAOYSA-N 0 3 315.395 1.605 20 5 DDBDHN C[C@H]1OCC[C@]1(O)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000227967183 407641498 /nfs/dbraw/zinc/64/14/98/407641498.db2.gz YPDSZAHGVXLCRD-RNCFNFMXSA-N 0 3 300.742 1.878 20 5 DDBDHN CNC(=O)NC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130372105 407680312 /nfs/dbraw/zinc/68/03/12/407680312.db2.gz WGIRARKUCDBKMS-UHFFFAOYSA-N 0 3 320.349 1.405 20 5 DDBDHN CCc1n[nH]c(C(=O)NCCN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000171803846 407770082 /nfs/dbraw/zinc/77/00/82/407770082.db2.gz PSTLOWSBRHJFBF-SNVBAGLBSA-N 0 3 309.370 1.342 20 5 DDBDHN CNCC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000237256965 407807139 /nfs/dbraw/zinc/80/71/39/407807139.db2.gz ZGHQIHKEEKOSAT-LBPRGKRZSA-N 0 3 323.349 1.313 20 5 DDBDHN Cc1c([C@H](C)NCCN2C(=O)CNC2=O)cccc1[N+](=O)[O-] ZINC000134089627 407883326 /nfs/dbraw/zinc/88/33/26/407883326.db2.gz HLMLAXJYZUULLN-JTQLQIEISA-N 0 3 306.322 1.106 20 5 DDBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])CCN1C ZINC000272570091 407987921 /nfs/dbraw/zinc/98/79/21/407987921.db2.gz CWQLOFHNJHPERV-MNOVXSKESA-N 0 3 306.366 1.732 20 5 DDBDHN COc1ccc(NC(=O)NC[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000272865604 408013887 /nfs/dbraw/zinc/01/38/87/408013887.db2.gz SVGSUJZWFBCGHL-LLVKDONJSA-N 0 3 308.338 1.819 20 5 DDBDHN COc1ccc([C@H](CCO)NCCn2ccc([N+](=O)[O-])n2)cc1 ZINC000182379635 408141961 /nfs/dbraw/zinc/14/19/61/408141961.db2.gz BTRHZBLOFSEAKJ-AWEZNQCLSA-N 0 3 320.349 1.513 20 5 DDBDHN COC(=O)C1CCN(CCCNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273556684 408243096 /nfs/dbraw/zinc/24/30/96/408243096.db2.gz AYCAVRODCNRPQD-UHFFFAOYSA-N 0 3 323.353 1.072 20 5 DDBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000246810226 408344804 /nfs/dbraw/zinc/34/48/04/408344804.db2.gz DGQAWKPSBNGHOA-CMPLNLGQSA-N 0 3 306.366 1.636 20 5 DDBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000247318435 408448884 /nfs/dbraw/zinc/44/88/84/408448884.db2.gz SCUBNYFGNCYQMZ-GXTWGEPZSA-N 0 3 321.381 1.124 20 5 DDBDHN CCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000191540155 408442650 /nfs/dbraw/zinc/44/26/50/408442650.db2.gz GFPXQLBUJHWENA-LBPRGKRZSA-N 0 3 306.366 1.781 20 5 DDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000247285283 408444583 /nfs/dbraw/zinc/44/45/83/408444583.db2.gz GDPPBWZYJCQJLZ-TZMCWYRMSA-N 0 3 320.393 1.805 20 5 DDBDHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000176989644 408491494 /nfs/dbraw/zinc/49/14/94/408491494.db2.gz QMPVBLWYBQFYSK-CMPLNLGQSA-N 0 3 304.350 1.486 20 5 DDBDHN C[C@H](CN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000264387798 408472087 /nfs/dbraw/zinc/47/20/87/408472087.db2.gz JZGVFCYTJFYWDT-SNVBAGLBSA-N 0 3 320.353 1.179 20 5 DDBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000184337346 408592764 /nfs/dbraw/zinc/59/27/64/408592764.db2.gz VVLCBWAAEWLYBX-CYBMUJFWSA-N 0 3 320.393 1.351 20 5 DDBDHN CC(C)N1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000161369147 408594998 /nfs/dbraw/zinc/59/49/98/408594998.db2.gz AHUMEXGWCLDOTE-CABZTGNLSA-N 0 3 324.356 1.775 20 5 DDBDHN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1C[C@H](F)CN1 ZINC000275837103 408691448 /nfs/dbraw/zinc/69/14/48/408691448.db2.gz YUDNUAYCXTXJJW-GZMMTYOYSA-N 0 3 301.705 1.564 20 5 DDBDHN NC(=O)[C@H]1CCCC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184842456 408702770 /nfs/dbraw/zinc/70/27/70/408702770.db2.gz XNRNVBAXEMRIKI-WDEREUQCSA-N 0 3 320.349 1.167 20 5 DDBDHN C[C@H]1C[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CN1C1CC1 ZINC000290840047 408842717 /nfs/dbraw/zinc/84/27/17/408842717.db2.gz VQPLXSDNOHAHHA-ONGXEEELSA-N 0 3 304.350 1.731 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCCN1CCOC ZINC000192561851 163226972 /nfs/dbraw/zinc/22/69/72/163226972.db2.gz QJLYZYOFXGIEJS-LBPRGKRZSA-N 0 3 311.386 1.642 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C1CCN(C)CC1 ZINC000277586816 408971844 /nfs/dbraw/zinc/97/18/44/408971844.db2.gz MUWZAFSEEWSZNU-UHFFFAOYSA-N 0 3 307.350 1.770 20 5 DDBDHN CN1CCN(C)[C@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278156556 409074633 /nfs/dbraw/zinc/07/46/33/409074633.db2.gz AACLIJJOPTYDTL-LLVKDONJSA-N 0 3 304.354 1.129 20 5 DDBDHN C[C@@H](NCCN1CCSCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293670317 409158379 /nfs/dbraw/zinc/15/83/79/409158379.db2.gz JSRAGUSUXOTQFV-LLVKDONJSA-N 0 3 310.423 1.876 20 5 DDBDHN C[C@@H](N[C@@H](C)CN1CCCC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283956065 409247323 /nfs/dbraw/zinc/24/73/23/409247323.db2.gz FZQABULFEJUJLI-WDEREUQCSA-N 0 3 306.366 1.839 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCN(C)[C@H](C)C2)n1 ZINC000319187112 164034920 /nfs/dbraw/zinc/03/49/20/164034920.db2.gz OSBAEQIEXGKSQB-ZJUUUORDSA-N 0 3 308.338 1.671 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)n1 ZINC000331584526 409662236 /nfs/dbraw/zinc/66/22/36/409662236.db2.gz MXTZUVSNLJZRQY-VXGBXAGGSA-N 0 3 321.381 1.510 20 5 DDBDHN CN1CC[C@]2(CCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000346263208 409891868 /nfs/dbraw/zinc/89/18/68/409891868.db2.gz BXJPKZALBQTUPV-HNNXBMFYSA-N 0 3 321.381 1.081 20 5 DDBDHN COC(=O)c1cnc(N[C@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000357701780 410195947 /nfs/dbraw/zinc/19/59/47/410195947.db2.gz XSIILHYNWIWGGS-ONGXEEELSA-N 0 3 308.338 1.671 20 5 DDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000347427552 410540386 /nfs/dbraw/zinc/54/03/86/410540386.db2.gz JCBJJTBWLTZEPY-UHFFFAOYSA-N 0 3 309.370 1.180 20 5 DDBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000330569425 410784571 /nfs/dbraw/zinc/78/45/71/410784571.db2.gz MCUIDYLCPHOQLE-CHWSQXEVSA-N 0 3 320.393 1.948 20 5 DDBDHN CN(C)CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000356285898 410943644 /nfs/dbraw/zinc/94/36/44/410943644.db2.gz XAGAHXJBQCHIAN-UHFFFAOYSA-N 0 3 317.349 1.637 20 5 DDBDHN Cc1c(NC(=O)[C@H](C)N[C@H](C)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000295865126 225325461 /nfs/dbraw/zinc/32/54/61/225325461.db2.gz YNAJFPUBUHREQJ-JLLWLGSASA-N 0 3 309.366 1.837 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCCN1CCN(CC)CC1 ZINC000360961364 418556241 /nfs/dbraw/zinc/55/62/41/418556241.db2.gz PRRPNFYLQSLUFG-UHFFFAOYSA-N 0 3 324.429 1.559 20 5 DDBDHN C[C@H](CO)N1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375512041 418652010 /nfs/dbraw/zinc/65/20/10/418652010.db2.gz QWDJTWBJORIMIZ-GFCCVEGCSA-N 0 3 322.365 1.515 20 5 DDBDHN CCOc1cc(CN2CC[C@@H]3C(=O)NC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000368063182 418683024 /nfs/dbraw/zinc/68/30/24/418683024.db2.gz MLSLBHXJOMLPQM-OLZOCXBDSA-N 0 3 319.361 1.561 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H](C)CN(C)C ZINC000411535426 418912564 /nfs/dbraw/zinc/91/25/64/418912564.db2.gz QGRWNEFQMJLAPP-NSHDSACASA-N 0 3 322.365 1.216 20 5 DDBDHN COC(=O)[C@@H]1CN(C)CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000411912325 419479834 /nfs/dbraw/zinc/47/98/34/419479834.db2.gz VGKZXMDOVOWJLI-QWHCGFSZSA-N 0 3 321.377 1.692 20 5 DDBDHN COC(=O)[C@H]1CN(C)CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000411915480 419484867 /nfs/dbraw/zinc/48/48/67/419484867.db2.gz ZHEDROKJBCKGPO-ZDUSSCGKSA-N 0 3 307.350 1.131 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C[C@@H]1CCCN1C ZINC000421000787 419433424 /nfs/dbraw/zinc/43/34/24/419433424.db2.gz KNIQYJOOQUCFOE-AWEZNQCLSA-N 0 3 320.393 1.868 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)N(CCO)C[C@H]1C ZINC000418122953 419555160 /nfs/dbraw/zinc/55/51/60/419555160.db2.gz YGKIXUWHGVKXNG-UONOGXRCSA-N 0 3 307.394 1.790 20 5 DDBDHN Cc1c(CNC(=O)N2C[C@@H](C)NC[C@H]2C)cccc1[N+](=O)[O-] ZINC000418077336 419513137 /nfs/dbraw/zinc/51/31/37/419513137.db2.gz HPUFCNUQTHVHSU-GHMZBOCLSA-N 0 3 306.366 1.795 20 5 DDBDHN CN(C)C(=O)[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000411946400 419515385 /nfs/dbraw/zinc/51/53/85/419515385.db2.gz SKMHUWOCPHSOQE-LBPRGKRZSA-N 0 3 307.350 1.384 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCN1CCCC1 ZINC000426939700 419572367 /nfs/dbraw/zinc/57/23/67/419572367.db2.gz HWCYJQOWGKOPLQ-UHFFFAOYSA-N 0 3 307.350 1.771 20 5 DDBDHN Cc1nc([C@H]2CCN(CCOc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000412029360 419577477 /nfs/dbraw/zinc/57/74/77/419577477.db2.gz OJHPQCWEVCCEIK-LBPRGKRZSA-N 0 3 317.349 1.890 20 5 DDBDHN Cc1n[nH]c([C@H]2CCN(CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000412029360 419577486 /nfs/dbraw/zinc/57/74/86/419577486.db2.gz OJHPQCWEVCCEIK-LBPRGKRZSA-N 0 3 317.349 1.890 20 5 DDBDHN Cc1nnc([C@H]2CCN(CCOc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412029360 419577493 /nfs/dbraw/zinc/57/74/93/419577493.db2.gz OJHPQCWEVCCEIK-LBPRGKRZSA-N 0 3 317.349 1.890 20 5 DDBDHN COc1ccc(OCCN2C[C@H](O)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000412039585 419582616 /nfs/dbraw/zinc/58/26/16/419582616.db2.gz PZPKGFHNALMULA-NWDGAFQWSA-N 0 3 310.350 1.685 20 5 DDBDHN Cc1c(CNC(=O)CNC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000423814472 420202175 /nfs/dbraw/zinc/20/21/75/420202175.db2.gz UCVYEJPQMAWHJN-CYBMUJFWSA-N 0 3 307.350 1.288 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000420435420 420283495 /nfs/dbraw/zinc/28/34/95/420283495.db2.gz GSRNSLLHCNDJBK-ZJUUUORDSA-N 0 3 301.368 1.226 20 5 DDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NCCNc1ccncc1 ZINC000439041017 420477456 /nfs/dbraw/zinc/47/74/56/420477456.db2.gz IBWJENCLCHRKOE-UHFFFAOYSA-N 0 3 300.318 1.183 20 5 DDBDHN CCc1n[nH]c(C(=O)NC(C)(C)CN2CCCC2)c1[N+](=O)[O-] ZINC000457049519 420596833 /nfs/dbraw/zinc/59/68/33/420596833.db2.gz JYHHCBXTEIWUGS-UHFFFAOYSA-N 0 3 309.370 1.485 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)CC[NH3+])c1[N+](=O)[O-] ZINC000440857134 420614576 /nfs/dbraw/zinc/61/45/76/420614576.db2.gz FBMVUZKSMSUJJW-SNVBAGLBSA-N 0 3 301.368 1.227 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457121475 420622430 /nfs/dbraw/zinc/62/24/30/420622430.db2.gz OLIPQTDHTFFIED-CYBMUJFWSA-N 0 3 323.397 1.431 20 5 DDBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CNCCC1(F)F ZINC000493094679 420756226 /nfs/dbraw/zinc/75/62/26/420756226.db2.gz RPVDIBMVBBLNKP-GCLPIYDQSA-N 0 3 311.288 1.721 20 5 DDBDHN CC[C@@H]1OCC[C@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000459765199 420868883 /nfs/dbraw/zinc/86/88/83/420868883.db2.gz CJEOYBVMLQFPOM-ILXRZTDVSA-N 0 3 319.361 1.857 20 5 DDBDHN CC[C@@H]1OCC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000459784799 420872170 /nfs/dbraw/zinc/87/21/70/420872170.db2.gz YHOLAMGHQAEOQC-HIFRSBDPSA-N 0 3 319.361 1.641 20 5 DDBDHN CC(COC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496001002 421116739 /nfs/dbraw/zinc/11/67/39/421116739.db2.gz CZQRUZXOYOFBIV-ZJUUUORDSA-N 0 3 304.343 1.698 20 5 DDBDHN CCOC(=O)N[C@H](Cc1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000495808251 421068268 /nfs/dbraw/zinc/06/82/68/421068268.db2.gz MSAYHXAGMUMZKU-WCQYABFASA-N 0 3 324.333 1.552 20 5 DDBDHN C[C@H]1CN(CCO)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449786394 421082970 /nfs/dbraw/zinc/08/29/70/421082970.db2.gz NMYODXAENJIQKC-SDQPKGBYSA-N 0 3 305.378 1.606 20 5 DDBDHN COc1cccc(NC[C@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000450588319 421213044 /nfs/dbraw/zinc/21/30/44/421213044.db2.gz AXMIUHQNTLXGLY-GFCCVEGCSA-N 0 3 309.366 1.862 20 5 DDBDHN CCc1nn(C)c(NC[C@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000450601233 421216077 /nfs/dbraw/zinc/21/60/77/421216077.db2.gz YCBRQJDFWANUKT-LLVKDONJSA-N 0 3 311.386 1.149 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCN1C ZINC000525620063 421294233 /nfs/dbraw/zinc/29/42/33/421294233.db2.gz ZESTYBXVEDMQJH-ZJUUUORDSA-N 0 3 321.333 1.536 20 5 DDBDHN COc1c(C(=O)N2CC[C@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000527243158 421370080 /nfs/dbraw/zinc/37/00/80/421370080.db2.gz WAHOTSIUSVZOKJ-LBPRGKRZSA-N 0 3 319.361 1.914 20 5 DDBDHN CN(C)CCN(CCn1ccc([N+](=O)[O-])n1)Cc1ccccn1 ZINC000517584501 421620087 /nfs/dbraw/zinc/62/00/87/421620087.db2.gz VOWAKUXKKIXUAS-UHFFFAOYSA-N 0 3 318.381 1.250 20 5 DDBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000573932543 422034762 /nfs/dbraw/zinc/03/47/62/422034762.db2.gz LZKFOPIDQBBXBB-SNVBAGLBSA-N 0 3 307.354 1.176 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(C)C[C@H]1CN ZINC000574424179 422106763 /nfs/dbraw/zinc/10/67/63/422106763.db2.gz MTMFTWHEGOXZKP-GFCCVEGCSA-N 0 3 321.381 1.318 20 5 DDBDHN C[C@@H](N[C@H]1COCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451815383 274263681 /nfs/dbraw/zinc/26/36/81/274263681.db2.gz ZMYBXVMIIKNOKV-MFKMUULPSA-N 0 3 307.350 1.936 20 5 DDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000177784756 276233431 /nfs/dbraw/zinc/23/34/31/276233431.db2.gz BXURKPNUGPFUIJ-OLZOCXBDSA-N 0 3 318.377 1.997 20 5 DDBDHN CC[C@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N(C)C ZINC000278227770 276544961 /nfs/dbraw/zinc/54/49/61/276544961.db2.gz VADWZDSXBLOZIW-GFCCVEGCSA-N 0 3 305.338 1.428 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)[NH3+])c1C ZINC000237565656 281015654 /nfs/dbraw/zinc/01/56/54/281015654.db2.gz ZMTIJWACPVEMOK-UHFFFAOYSA-N 0 3 301.368 1.227 20 5 DDBDHN O=C([C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1)N1CCCC1 ZINC000357937510 299025746 /nfs/dbraw/zinc/02/57/46/299025746.db2.gz WYPILQZYANJAFS-CYBMUJFWSA-N 0 3 321.381 1.126 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000363097357 300209984 /nfs/dbraw/zinc/20/99/84/300209984.db2.gz STQZSNUHRLPRCE-ZDUSSCGKSA-N 0 3 318.377 1.999 20 5 DDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1csc([N+](=O)[O-])c1 ZINC000363143933 300219027 /nfs/dbraw/zinc/21/90/27/300219027.db2.gz OBEHSWREMNLQJW-GHMZBOCLSA-N 0 3 311.363 1.249 20 5 DDBDHN CC(C)CN1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000370591088 301369923 /nfs/dbraw/zinc/36/99/23/301369923.db2.gz WXPJEZNDHIQBPG-UHFFFAOYSA-N 0 3 306.366 1.794 20 5 DDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000376398156 302072337 /nfs/dbraw/zinc/07/23/37/302072337.db2.gz UTPYUGMPSWTDEK-GHMZBOCLSA-N 0 3 307.354 1.027 20 5 DDBDHN CC(C)CN1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000378572445 302337832 /nfs/dbraw/zinc/33/78/32/302337832.db2.gz BPJBOASNXCEJRR-UHFFFAOYSA-N 0 3 321.381 1.607 20 5 DDBDHN CC(C)(CNC(=O)c1cc([N+](=O)[O-])cnc1N)N1CCCCC1 ZINC000545371966 303493603 /nfs/dbraw/zinc/49/36/03/303493603.db2.gz JRQKCULOBPHSEM-UHFFFAOYSA-N 0 3 321.381 1.566 20 5 DDBDHN Cc1cccc(N2CCCN(CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000364638652 307049045 /nfs/dbraw/zinc/04/90/45/307049045.db2.gz RTSYICITOCNWTC-UHFFFAOYSA-N 0 3 306.410 1.977 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H](c3nnc[nH]3)C2)c1 ZINC000366652339 307078763 /nfs/dbraw/zinc/07/87/63/307078763.db2.gz KMPDFEYWEMVKTL-OCCSQVGLSA-N 0 3 317.349 1.626 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN([C@H]3CCCC[C@H]3O)CC2)cn1 ZINC000538743387 307677422 /nfs/dbraw/zinc/67/74/22/307677422.db2.gz AHMXLJKDFCTQQV-UONOGXRCSA-N 0 3 306.366 1.415 20 5 DDBDHN CC(C)(C)[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000576668835 308331061 /nfs/dbraw/zinc/33/10/61/308331061.db2.gz PNZVTTCBWYLRDM-CYBMUJFWSA-N 0 3 308.382 1.519 20 5 DDBDHN C[C@H](N[C@H]1C[C@@H](O)C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000577290580 308377566 /nfs/dbraw/zinc/37/75/66/308377566.db2.gz RGSMDQRISPAAAB-TVYUQYBPSA-N 0 3 307.350 1.671 20 5 DDBDHN CN(C)C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000579049044 308503146 /nfs/dbraw/zinc/50/31/46/308503146.db2.gz FVRLBTAHNFTVIE-GFCCVEGCSA-N 0 3 321.312 1.490 20 5 DDBDHN CCN(C)C[C@H](O)Cn1cnc2cc3ccccc3cc2c1=O ZINC000582616700 337115365 /nfs/dbraw/zinc/11/53/65/337115365.db2.gz PHIWMXRPJOZIRL-HNNXBMFYSA-N 0 3 311.385 1.862 20 5 DDBDHN COc1ccc(NC(=O)CCN(C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000299332000 534064410 /nfs/dbraw/zinc/06/44/10/534064410.db2.gz PWGGKHMRUMNOGT-NSHDSACASA-N 0 3 323.349 1.653 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](O)C12CCCC2 ZINC000292839961 534320900 /nfs/dbraw/zinc/32/09/00/534320900.db2.gz UUHSWKFYHIZJMX-CYBMUJFWSA-N 0 3 307.350 1.136 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCSC[C@@H]1C1CC1 ZINC000451646420 534321437 /nfs/dbraw/zinc/32/14/37/534321437.db2.gz FKBCFBVPJHNJAB-CYBMUJFWSA-N 0 3 309.391 1.584 20 5 DDBDHN O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CCCN(CCCO)C3)nc2c1 ZINC000295006586 534884074 /nfs/dbraw/zinc/88/40/74/534884074.db2.gz SAZSWNVOVMZRPG-NSHDSACASA-N 0 3 319.365 1.730 20 5 DDBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000790881085 699601574 /nfs/dbraw/zinc/60/15/74/699601574.db2.gz VIXFANDMJXABPY-SECBINFHSA-N 0 3 321.424 1.665 20 5 DDBDHN CCN(CC)CCS(=O)(=O)Oc1ccc(C)c([N+](=O)[O-])c1 ZINC000810057170 701717625 /nfs/dbraw/zinc/71/76/25/701717625.db2.gz AHZKEVOXQQCDHQ-UHFFFAOYSA-N 0 3 316.379 1.954 20 5 DDBDHN C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839680551 701781893 /nfs/dbraw/zinc/78/18/93/701781893.db2.gz MEZVTXSWCBHVJF-BPLDGKMQSA-N 0 3 303.362 1.385 20 5 DDBDHN C[C@@H]1CN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C[C@H](C)N1C ZINC000840089885 701961918 /nfs/dbraw/zinc/96/19/18/701961918.db2.gz KGMLEGMDJXIQEC-PHIMTYICSA-N 0 3 320.349 1.485 20 5 DDBDHN CO[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@](C)(CO)C1 ZINC000879262750 706633694 /nfs/dbraw/zinc/63/36/94/706633694.db2.gz ZIIGSPRBXDKZJZ-RRFJBIMHSA-N 0 3 310.350 1.100 20 5 DDBDHN Cc1ccc(CCC(=O)NCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813100006 702290369 /nfs/dbraw/zinc/29/03/69/702290369.db2.gz KAVDEEHDKRWLLY-LBPRGKRZSA-N 0 3 308.334 1.252 20 5 DDBDHN COc1ccc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813103117 702291262 /nfs/dbraw/zinc/29/12/62/702291262.db2.gz OCMGLFBZVYBXPB-QWRGUYRKSA-N 0 3 322.317 1.257 20 5 DDBDHN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813106418 702293331 /nfs/dbraw/zinc/29/33/31/702293331.db2.gz BXXBBJHRLRGSAW-XHDPSFHLSA-N 0 3 320.345 1.731 20 5 DDBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)[N+](=O)[O-] ZINC000813107711 702294321 /nfs/dbraw/zinc/29/43/21/702294321.db2.gz URAKLBCCXMNBOJ-TZMCWYRMSA-N 0 3 320.345 1.747 20 5 DDBDHN CC(COC(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)[N+](=O)[O-] ZINC000813109829 702296462 /nfs/dbraw/zinc/29/64/62/702296462.db2.gz PMKCFVKQUSTRRO-SDDRHHMPSA-N 0 3 323.349 1.517 20 5 DDBDHN CC(COC(=O)[C@H](c1ccccc1)N1CCSCC1)[N+](=O)[O-] ZINC000813112038 702297165 /nfs/dbraw/zinc/29/71/65/702297165.db2.gz YQWVDFZQDOAURG-JSGCOSHPSA-N 0 3 324.402 1.985 20 5 DDBDHN CC(COC(=O)c1ccnc(OCC(F)(F)F)c1)[N+](=O)[O-] ZINC000813111658 702297202 /nfs/dbraw/zinc/29/72/02/702297202.db2.gz KAOXJGURWYIXFE-SSDOTTSWSA-N 0 3 308.212 1.845 20 5 DDBDHN CC(COC(=O)c1cc(S(C)(=O)=O)ccc1Cl)[N+](=O)[O-] ZINC000813111156 702297449 /nfs/dbraw/zinc/29/74/49/702297449.db2.gz PDRQKRAFJKOIGQ-ZETCQYMHSA-N 0 3 321.738 1.566 20 5 DDBDHN CCS(=O)(=O)CCN[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866257343 706659107 /nfs/dbraw/zinc/65/91/07/706659107.db2.gz YJLYZGXGFWLJKQ-JTQLQIEISA-N 0 3 318.370 1.689 20 5 DDBDHN C[C@@H](CO)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000844417153 703028663 /nfs/dbraw/zinc/02/86/63/703028663.db2.gz SGDMYDVTKVHEOD-LRDDRELGSA-N 0 3 308.378 1.969 20 5 DDBDHN CC([C@H](OC(=O)c1cnnn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845876248 703211418 /nfs/dbraw/zinc/21/14/18/703211418.db2.gz BRJWDZFRWJHGMO-UFBFGSQYSA-N 0 3 308.269 1.518 20 5 DDBDHN COc1cc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000818946039 704031203 /nfs/dbraw/zinc/03/12/03/704031203.db2.gz CTHVEUBZGYTVFS-AWEZNQCLSA-N 0 3 303.318 1.822 20 5 DDBDHN Cc1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(=O)n1C ZINC000819270058 704097977 /nfs/dbraw/zinc/09/79/77/704097977.db2.gz SBUVNMUEOHUJFF-OAHLLOKOSA-N 0 3 317.345 1.425 20 5 DDBDHN COC(=O)[C@H]1C[C@@H](N(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852695530 704101492 /nfs/dbraw/zinc/10/14/92/704101492.db2.gz AKLUASHTLRPSKU-KWCYVHTRSA-N 0 3 308.334 1.512 20 5 DDBDHN CC(C)[C@H]([NH3+])C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765577 704622230 /nfs/dbraw/zinc/62/22/30/704622230.db2.gz RJNZTLJVYADYRU-LLVKDONJSA-N 0 3 317.292 1.666 20 5 DDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000874834293 705191862 /nfs/dbraw/zinc/19/18/62/705191862.db2.gz QWBCFIGOYMITMK-KBPBESRZSA-N 0 3 304.350 1.486 20 5 DDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000874834296 705192245 /nfs/dbraw/zinc/19/22/45/705192245.db2.gz QWBCFIGOYMITMK-ZIAGYGMSSA-N 0 3 304.350 1.486 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)c(N)c([N+](=O)[O-])c1 ZINC000874839118 705194863 /nfs/dbraw/zinc/19/48/63/705194863.db2.gz TUIMWCDHTLGSAI-QWHCGFSZSA-N 0 3 318.377 1.794 20 5 DDBDHN CC(COC(=O)CCC1CN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000860776628 705280176 /nfs/dbraw/zinc/28/01/76/705280176.db2.gz FUKBCMFSQQFVCO-JTQLQIEISA-N 0 3 316.354 1.842 20 5 DDBDHN CN1C(=O)[C@H]2CN(C/C=C\c3ccccc3[N+](=O)[O-])C[C@H]2C1=O ZINC000877720292 706188621 /nfs/dbraw/zinc/18/86/21/706188621.db2.gz NFRZRGFBHAZIHK-RWBPYIHSSA-N 0 3 315.329 1.155 20 5 DDBDHN CC(C)N1CCCC[C@H]1COC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000837611759 707695690 /nfs/dbraw/zinc/69/56/90/707695690.db2.gz GMNCJPJTUQDVIP-NSHDSACASA-N 0 3 310.354 1.748 20 5 DDBDHN Cc1c(CNC[C@H]2CC[C@@H](C(=O)N(C)C)O2)cccc1[N+](=O)[O-] ZINC000873100934 707732307 /nfs/dbraw/zinc/73/23/07/707732307.db2.gz JFLDRMWLZHQZRB-HIFRSBDPSA-N 0 3 321.377 1.629 20 5 DDBDHN COCC[C@H](N)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000884306572 708236088 /nfs/dbraw/zinc/23/60/88/708236088.db2.gz IEAGOWZMZWCNDV-ZDUSSCGKSA-N 0 3 307.350 1.450 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2[C@H]1CCCN2CCO ZINC000897218460 708256382 /nfs/dbraw/zinc/25/63/82/708256382.db2.gz CUFOEWYKWTUBCP-QWHCGFSZSA-N 0 3 323.397 1.155 20 5 DDBDHN COCCN(CCN(C)C)C(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000900587325 709664563 /nfs/dbraw/zinc/66/45/63/709664563.db2.gz NHDGYHAQQOEQRI-UHFFFAOYSA-N 0 3 323.393 1.862 20 5 DDBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC(N2CCCC2)C1 ZINC000912328213 711281292 /nfs/dbraw/zinc/28/12/92/711281292.db2.gz YYFLDPYQXSDHMF-VMPITWQZSA-N 0 3 301.346 1.915 20 5 DDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)C1(O)CCCC1 ZINC000930440442 713835231 /nfs/dbraw/zinc/83/52/31/713835231.db2.gz MQXQWZCXLYYZFG-HNNXBMFYSA-N 0 3 308.378 1.735 20 5 DDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C1(O)CCCC1 ZINC000930440444 713835330 /nfs/dbraw/zinc/83/53/30/713835330.db2.gz MQXQWZCXLYYZFG-OAHLLOKOSA-N 0 3 308.378 1.735 20 5 DDBDHN CC(C)N(C)Cc1cc(O[C@@H]2CCN(CC[N+](=O)[O-])C2)ccn1 ZINC000931095725 714000089 /nfs/dbraw/zinc/00/00/89/714000089.db2.gz ZIPZVSWCJNWQLT-MRXNPFEDSA-N 0 3 322.409 1.652 20 5 DDBDHN CCN(C)Cc1cc(O[C@H]2CCN(CC[N+](=O)[O-])C2)ccn1 ZINC000931095197 714000319 /nfs/dbraw/zinc/00/03/19/714000319.db2.gz WYCXBPYDMUSYFA-HNNXBMFYSA-N 0 3 308.382 1.263 20 5 DDBDHN CCO[C@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000932979084 714448251 /nfs/dbraw/zinc/44/82/51/714448251.db2.gz FSEYOOSRCGHGRP-HIFRSBDPSA-N 0 3 310.350 1.445 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCN1C ZINC000925343011 714820483 /nfs/dbraw/zinc/82/04/83/714820483.db2.gz KVTHVQZDCIDNMQ-OCCSQVGLSA-N 0 3 320.393 1.871 20 5 DDBDHN Cc1oncc1CN1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001005380997 749931199 /nfs/dbraw/zinc/93/11/99/749931199.db2.gz HVEGAZIAMPWMTR-ZIAGYGMSSA-N 0 3 322.365 1.071 20 5 DDBDHN CCN(CC)CC(=O)NCCN(C)c1ncc([N+](=O)[O-])cc1C ZINC001100125721 762020599 /nfs/dbraw/zinc/02/05/99/762020599.db2.gz JCXDVLNHRNVAQV-UHFFFAOYSA-N 0 3 323.397 1.192 20 5 DDBDHN COc1ccc(OC)c(C(=O)CN[C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168959410 762155341 /nfs/dbraw/zinc/15/53/41/762155341.db2.gz VRRYJOJCFPBUAR-RYUDHWBXSA-N 0 3 322.361 1.922 20 5 DDBDHN Cc1cccnc1N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007693 762175467 /nfs/dbraw/zinc/17/54/67/762175467.db2.gz PIQYGCIGWSFKDT-HUUCEWRRSA-N 0 3 304.394 1.957 20 5 DDBDHN Cc1cc(N2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)ncn1 ZINC001169054954 762209641 /nfs/dbraw/zinc/20/96/41/762209641.db2.gz OMASTKBHHPMCCO-UONOGXRCSA-N 0 3 305.382 1.352 20 5 DDBDHN C[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170576260 768249365 /nfs/dbraw/zinc/24/93/65/768249365.db2.gz ZOOUQTOLUYAFDI-HZMBPMFUSA-N 0 3 302.334 1.932 20 5 DDBDHN CCOC(=O)C1=C(Nc2cnc(F)c([N+](=O)[O-])c2)CCNC1 ZINC001170521285 767790157 /nfs/dbraw/zinc/79/01/57/767790157.db2.gz SYZYMHMFNBYGMN-UHFFFAOYSA-N 0 3 310.285 1.351 20 5 DDBDHN Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@H](C)[C@H]2CNCCO2)n1 ZINC001159496533 771601786 /nfs/dbraw/zinc/60/17/86/771601786.db2.gz JPGKROVBPJXJIF-POYBYMJQSA-N 0 3 301.734 1.135 20 5 DDBDHN Cc1[nH]cnc1CC(=O)NCCNc1ncc([N+](=O)[O-])cc1C ZINC001093776423 775099871 /nfs/dbraw/zinc/09/98/71/775099871.db2.gz DYQILGGMTWKVKN-UHFFFAOYSA-N 0 3 318.337 1.101 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](NC1(CCO)COC1)CC2 ZINC001172899611 776915043 /nfs/dbraw/zinc/91/50/43/776915043.db2.gz BAEUYKMALVJQEM-AWEZNQCLSA-N 0 3 306.362 1.583 20 5 DDBDHN COCCCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001155044674 861672525 /nfs/dbraw/zinc/67/25/25/861672525.db2.gz GHJMYDKUZCVUNL-UHFFFAOYSA-N 0 3 309.366 1.617 20 5 DDBDHN Cc1ncoc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001156228317 862840282 /nfs/dbraw/zinc/84/02/82/862840282.db2.gz TWZZGNLIYDBWAW-UHFFFAOYSA-N 0 3 318.333 1.801 20 5 DDBDHN CN1CCCC[C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001122111975 858688958 /nfs/dbraw/zinc/68/89/58/858688958.db2.gz PWAOQURFPIUQHF-AWEZNQCLSA-N 0 3 320.393 1.921 20 5 DDBDHN O=C(COCC1CC1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001124005285 859520522 /nfs/dbraw/zinc/52/05/22/859520522.db2.gz LVHZQWFDSAWIKX-UHFFFAOYSA-N 0 3 307.350 1.227 20 5 DDBDHN COc1cc(C)nc(N2C[C@H]3[C@H](C2)CCCN3C)c1[N+](=O)[O-] ZINC001157266356 863695325 /nfs/dbraw/zinc/69/53/25/863695325.db2.gz RBEHOKKRAQEZAW-RYUDHWBXSA-N 0 3 306.366 1.837 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC1CCN([C@H]2CCOC2)CC1 ZINC001330618711 864491475 /nfs/dbraw/zinc/49/14/75/864491475.db2.gz QXLHNPKQSJZRDT-ZDUSSCGKSA-N 0 3 306.366 1.385 20 5 DDBDHN NCc1cnnn1-c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001158426746 864647230 /nfs/dbraw/zinc/64/72/30/864647230.db2.gz FCRXKHORNADZDN-UHFFFAOYSA-N 0 3 305.685 1.231 20 5 DDBDHN Cc1c(CC[NH3+])c(=O)[n-]n1-c1nccc2cc([N+](=O)[O-])ccc21 ZINC001159302563 865215649 /nfs/dbraw/zinc/21/56/49/865215649.db2.gz LRSFKJQMIOBHPI-UHFFFAOYSA-N 0 3 313.317 1.844 20 5 DDBDHN C[C@H](Nc1ccc2cccc([N+](=O)[O-])c2n1)[C@@H]1CNCCO1 ZINC001159498835 865350004 /nfs/dbraw/zinc/35/00/04/865350004.db2.gz RMYXGYNDRNSIAN-GWCFXTLKSA-N 0 3 302.334 1.932 20 5 DDBDHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)c1ccon1 ZINC001322429357 868166405 /nfs/dbraw/zinc/16/64/05/868166405.db2.gz YPMGJBRJHPIZPN-UHFFFAOYSA-N 0 3 324.362 1.896 20 5 DDBDHN Cc1cc(CN)nn1-c1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001163978035 868839866 /nfs/dbraw/zinc/83/98/66/868839866.db2.gz OVPMGFPJHJGCND-UHFFFAOYSA-N 0 3 308.729 1.868 20 5 DDBDHN COc1c(O)ccc(CNCCc2cnc(C)cn2)c1[N+](=O)[O-] ZINC001308805035 871530660 /nfs/dbraw/zinc/53/06/60/871530660.db2.gz QPRFFNBGFVPPDQ-UHFFFAOYSA-N 0 3 318.333 1.740 20 5 DDBDHN CC(C)(C)c1ccc(O[C@@H]2CN3C[C@H]2NCC3)c([N+](=O)[O-])c1 ZINC001218110212 877400482 /nfs/dbraw/zinc/40/04/82/877400482.db2.gz VKTVEGSESSOEIP-IUODEOHRSA-N 0 3 305.378 1.927 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001357845984 880225389 /nfs/dbraw/zinc/22/53/89/880225389.db2.gz JCARYIODZTUGQZ-NSHDSACASA-N 0 3 305.334 1.072 20 5 DDBDHN O=C(N[C@H]1CN2CCC1CC2)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001358452686 880435424 /nfs/dbraw/zinc/43/54/24/880435424.db2.gz WIQQISMNYAKBCP-HNNXBMFYSA-N 0 3 314.345 1.900 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCC(NC3(CCO)COC3)CC2)cc1 ZINC001254466840 896453935 /nfs/dbraw/zinc/45/39/35/896453935.db2.gz PLAGYULUUPYGPT-UHFFFAOYSA-N 0 3 321.377 1.305 20 5 DDBDHN CC[C@@](N)(CO)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469385 896455757 /nfs/dbraw/zinc/45/57/57/896455757.db2.gz LTHVKZOGYBALLJ-HNNXBMFYSA-N 0 3 308.382 1.211 20 5 DDBDHN CCN(CC)C(=O)[C@H](C)N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581437 896514059 /nfs/dbraw/zinc/51/40/59/896514059.db2.gz KHDRLJQSWUALOZ-FZMZJTMJSA-N 0 3 305.378 1.909 20 5 DDBDHN CCc1nocc1CN(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001280814363 897611578 /nfs/dbraw/zinc/61/15/78/897611578.db2.gz NSIMVADBPQXVNY-TZMCWYRMSA-N 0 3 324.381 1.183 20 5 DDBDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(CC[N+](=O)[O-])C[C@@H]21 ZINC001262256056 900055682 /nfs/dbraw/zinc/05/56/82/900055682.db2.gz DYEHYZDGVASTLZ-RWMBFGLXSA-N 0 3 313.398 1.888 20 5 DDBDHN COc1ccc(CC(=O)N2[C@H](C)CN[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC001263201401 900531033 /nfs/dbraw/zinc/53/10/33/900531033.db2.gz DTPGHCUYBQIKSR-UTUOFQBUSA-N 0 3 321.377 1.743 20 5 DDBDHN COc1ccc(CC(=O)N2[C@H](C)CN[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC001263201399 900531173 /nfs/dbraw/zinc/53/11/73/900531173.db2.gz DTPGHCUYBQIKSR-GRYCIOLGSA-N 0 3 321.377 1.743 20 5 DDBDHN COC[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000181567592 199318836 /nfs/dbraw/zinc/31/88/36/199318836.db2.gz RSUDBOKDTPZQTD-CQSZACIVSA-N 0 3 307.350 1.572 20 5 DDBDHN CN1CC[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000451624120 529798159 /nfs/dbraw/zinc/79/81/59/529798159.db2.gz MKXUFPLUBNGDHP-YGRLFVJLSA-N 0 3 301.350 1.607 20 5 DDBDHN CN1CC[C@](O)(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413232434 529810552 /nfs/dbraw/zinc/81/05/52/529810552.db2.gz NGHKJMSHALDTCA-NSHDSACASA-N 0 3 320.271 1.487 20 5 DDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266191720 282300910 /nfs/dbraw/zinc/30/09/10/282300910.db2.gz MMRWKOBSPZODQD-AWEZNQCLSA-N 0 3 305.378 1.938 20 5 DDBDHN C[C@@H](CN1CCOCC1)N(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000279785207 215143270 /nfs/dbraw/zinc/14/32/70/215143270.db2.gz UWXOSIBUIBNCBP-BBRMVZONSA-N 0 3 323.393 1.281 20 5 DDBDHN CCOC1CC(N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000287000835 219263782 /nfs/dbraw/zinc/26/37/82/219263782.db2.gz QBKCTQBSSWMQDW-NPCAHTBFSA-N 0 3 324.377 1.834 20 5 DDBDHN Cc1ncsc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564844701 304019054 /nfs/dbraw/zinc/01/90/54/304019054.db2.gz OSAPGBDTNPQUAL-LBPRGKRZSA-N 0 3 323.374 1.889 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000617352631 363066764 /nfs/dbraw/zinc/06/67/64/363066764.db2.gz JAILZQAVGAUBSM-LBPRGKRZSA-N 0 3 319.361 1.818 20 5 DDBDHN C[C@@H](CN1CCCCC1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000027771935 352222555 /nfs/dbraw/zinc/22/25/55/352222555.db2.gz MCHRDFWGGFSXBU-ZDUSSCGKSA-N 0 3 321.377 1.964 20 5 DDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)N(C)C ZINC000033093532 352288198 /nfs/dbraw/zinc/28/81/98/352288198.db2.gz ICCYSKAWBDYESX-LBPRGKRZSA-N 0 3 320.393 1.875 20 5 DDBDHN COc1ccc(C(=O)NC[C@@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000057719406 352825827 /nfs/dbraw/zinc/82/58/27/352825827.db2.gz FXRFCIXWYWMHHG-SNVBAGLBSA-N 0 3 307.350 1.816 20 5 DDBDHN CCN1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000060380145 352870034 /nfs/dbraw/zinc/87/00/34/352870034.db2.gz MDJQUGRPNNZXJH-ZDUSSCGKSA-N 0 3 307.398 1.675 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1(O)CCN(C)CC1 ZINC000080881357 353633921 /nfs/dbraw/zinc/63/39/21/353633921.db2.gz HKFLCAAQJZGGSV-UHFFFAOYSA-N 0 3 307.350 1.090 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1N1CCCN(CCN(C)C)CC1 ZINC000080611828 353618211 /nfs/dbraw/zinc/61/82/11/353618211.db2.gz PXHKPAGAJQNQLU-UHFFFAOYSA-N 0 3 306.410 1.977 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000142976410 354146857 /nfs/dbraw/zinc/14/68/57/354146857.db2.gz DGZGOHQYWOZCRA-LLVKDONJSA-N 0 3 307.350 1.818 20 5 DDBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346192522 283017376 /nfs/dbraw/zinc/01/73/76/283017376.db2.gz NLMHDWPAINVCFG-DCAQKATOSA-N 0 3 307.354 1.120 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)C[C@@H](C)[NH3+] ZINC000320116857 354524584 /nfs/dbraw/zinc/52/45/84/354524584.db2.gz OOMXOIHKIISLFJ-NXEZZACHSA-N 0 3 301.368 1.307 20 5 DDBDHN C[C@H](CN(C)C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000346217923 283033830 /nfs/dbraw/zinc/03/38/30/283033830.db2.gz IYIGMBYGHJEKLC-SECBINFHSA-N 0 3 318.333 1.529 20 5 DDBDHN O=[N+]([O-])c1cnc2ccccc2c1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405243341 354677972 /nfs/dbraw/zinc/67/79/72/354677972.db2.gz XONCDGIGPZSKNX-NWDGAFQWSA-N 0 3 314.345 1.398 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590446889 355099243 /nfs/dbraw/zinc/09/92/43/355099243.db2.gz WVSFCDSZUZUFFU-OCCSQVGLSA-N 0 3 319.361 1.526 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCc2nccs2)c1 ZINC000591728754 355372914 /nfs/dbraw/zinc/37/29/14/355372914.db2.gz CHFQGSISFWPOTE-LBPRGKRZSA-N 0 3 323.374 1.623 20 5 DDBDHN CCCN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000592247153 355547043 /nfs/dbraw/zinc/54/70/43/355547043.db2.gz SJQGRYPDKDTFAQ-LLVKDONJSA-N 0 3 307.354 1.360 20 5 DDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](CN)C(F)(F)F ZINC000594523793 356242311 /nfs/dbraw/zinc/24/23/11/356242311.db2.gz DFLQOQZHHHITBJ-JTQLQIEISA-N 0 3 320.271 1.626 20 5 DDBDHN Cc1ccc(CNC[C@]2(OCCO)CCOC2)cc1[N+](=O)[O-] ZINC000594973500 356366561 /nfs/dbraw/zinc/36/65/61/356366561.db2.gz DAIAYEJSJRJNEN-OAHLLOKOSA-N 0 3 310.350 1.161 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CC[C@H](C(N)=O)C1 ZINC000595052050 356376552 /nfs/dbraw/zinc/37/65/52/356376552.db2.gz QIMOLWJIROXOQT-GARJFASQSA-N 0 3 307.350 1.908 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CCCNC1=O ZINC000595050771 356376780 /nfs/dbraw/zinc/37/67/80/356376780.db2.gz KKZPUNSTTWVBOV-QWRGUYRKSA-N 0 3 307.350 1.780 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@]1(O)CCO[C@@H]1C ZINC000595053510 356377002 /nfs/dbraw/zinc/37/70/02/356377002.db2.gz KOXAJRMDEOYMEV-FIXISWKDSA-N 0 3 310.350 1.794 20 5 DDBDHN Cc1c([C@H](C)NC[C@]2(OCCO)CCOC2)cccc1[N+](=O)[O-] ZINC000595077903 356378734 /nfs/dbraw/zinc/37/87/34/356378734.db2.gz KNHASIAKATZHRR-XJKSGUPXSA-N 0 3 324.377 1.722 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@]1(OCCO)CCOC1 ZINC000595077049 356378746 /nfs/dbraw/zinc/37/87/46/356378746.db2.gz FZXFUDGZLLGZDE-CJNGLKHVSA-N 0 3 324.377 1.722 20 5 DDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CCN1 ZINC000596015969 356747373 /nfs/dbraw/zinc/74/73/73/356747373.db2.gz LJRHCIGTUWYHGU-LLVKDONJSA-N 0 3 324.356 1.369 20 5 DDBDHN CN(C)C[C@H](CO)Nc1c(Br)cccc1[N+](=O)[O-] ZINC000596240900 356828725 /nfs/dbraw/zinc/82/87/25/356828725.db2.gz BLKKDSKJUJWSMU-MRVPVSSYSA-N 0 3 318.171 1.692 20 5 DDBDHN CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000596420134 356873213 /nfs/dbraw/zinc/87/32/13/356873213.db2.gz XEPQBVFKNHBYKC-CQSZACIVSA-N 0 3 320.393 1.873 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000598342506 357545972 /nfs/dbraw/zinc/54/59/72/357545972.db2.gz OCWWWLZGKKAOOX-CYBMUJFWSA-N 0 3 309.341 1.877 20 5 DDBDHN COC(=O)c1ccnc(N2CC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000598591802 357643896 /nfs/dbraw/zinc/64/38/96/357643896.db2.gz BZRSBMSSYHLPRA-LLVKDONJSA-N 0 3 320.349 1.451 20 5 DDBDHN COC(=O)c1ccnc(N2CC[C@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000598627425 357660882 /nfs/dbraw/zinc/66/08/82/357660882.db2.gz PYRKGRUNHCLYLY-HNNXBMFYSA-N 0 3 320.349 1.308 20 5 DDBDHN CC(C)(C)[C@@H](CN)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598913574 357756603 /nfs/dbraw/zinc/75/66/03/357756603.db2.gz MTLYTWDKKOGVNO-LLVKDONJSA-N 0 3 308.338 1.023 20 5 DDBDHN Cc1noc([C@@H]2OCC[C@@H]2NCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000599686191 358025367 /nfs/dbraw/zinc/02/53/67/358025367.db2.gz UPWUFSSWXFRIOF-UONOGXRCSA-N 0 3 318.333 1.949 20 5 DDBDHN CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)C1CCN(C)CC1 ZINC000599986172 358096694 /nfs/dbraw/zinc/09/66/94/358096694.db2.gz PFGYSKQTHDTZTB-UHFFFAOYSA-N 0 3 309.370 1.124 20 5 DDBDHN CS[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000601136250 358416930 /nfs/dbraw/zinc/41/69/30/358416930.db2.gz YWXZNAYOZWAOOT-GHMZBOCLSA-N 0 3 300.359 1.611 20 5 DDBDHN CNC(=O)[C@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1OC ZINC000348154476 283393562 /nfs/dbraw/zinc/39/35/62/283393562.db2.gz WDBZPOIYIRJCJF-QWHCGFSZSA-N 0 3 307.350 1.608 20 5 DDBDHN CNC(=O)[C@H](CCSC)NCCc1ccc([N+](=O)[O-])cc1 ZINC000602662013 359108254 /nfs/dbraw/zinc/10/82/54/359108254.db2.gz AWPCFBFZLOFMRY-ZDUSSCGKSA-N 0 3 311.407 1.595 20 5 DDBDHN COC(=O)[C@H](C)CN(CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602771406 359179113 /nfs/dbraw/zinc/17/91/13/359179113.db2.gz IVFRJIYGRSDWIS-SNVBAGLBSA-N 0 3 310.354 1.373 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000602778370 359185075 /nfs/dbraw/zinc/18/50/75/359185075.db2.gz AYXALHGQCISMIB-ZDUSSCGKSA-N 0 3 318.381 1.398 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@](CO)(C(C)C)C1 ZINC000602830174 359222103 /nfs/dbraw/zinc/22/21/03/359222103.db2.gz AEEPNBQADHWBHI-OAHLLOKOSA-N 0 3 310.398 1.830 20 5 DDBDHN COC(=O)CC1(NCCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000565659016 304082930 /nfs/dbraw/zinc/08/29/30/304082930.db2.gz BVRFPDVNUXNAHU-UHFFFAOYSA-N 0 3 324.333 1.668 20 5 DDBDHN CO[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])[C@](C)(CO)C1 ZINC000602963638 359326576 /nfs/dbraw/zinc/32/65/76/359326576.db2.gz HPSSJNDNLGQSAH-WFASDCNBSA-N 0 3 310.350 1.445 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](O)[C@H](C)C1 ZINC000186823146 200017388 /nfs/dbraw/zinc/01/73/88/200017388.db2.gz CQJOBKLCANJOJP-IUODEOHRSA-N 0 3 321.377 1.935 20 5 DDBDHN Cn1cc(CN2CCNC[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000603428281 359634278 /nfs/dbraw/zinc/63/42/78/359634278.db2.gz GMBWSCOSKLHIJA-AWEZNQCLSA-N 0 3 301.350 1.475 20 5 DDBDHN CCN(CCO)CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000187163632 200070154 /nfs/dbraw/zinc/07/01/54/200070154.db2.gz YIGVFIPCWFGAFI-GFCCVEGCSA-N 0 3 324.381 1.269 20 5 DDBDHN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCNCC1 ZINC000237851525 202370728 /nfs/dbraw/zinc/37/07/28/202370728.db2.gz LPJPFKBGSIBHFX-UHFFFAOYSA-N 0 3 319.770 1.232 20 5 DDBDHN CN1CC=C(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000271957593 209340697 /nfs/dbraw/zinc/34/06/97/209340697.db2.gz YNJOQNUXLIRGJB-UHFFFAOYSA-N 0 3 303.362 1.906 20 5 DDBDHN CN1CC=C(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000271902396 209310672 /nfs/dbraw/zinc/31/06/72/209310672.db2.gz GZNUUDTXKBZPGZ-VOTSOKGWSA-N 0 3 301.346 1.986 20 5 DDBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000288184238 220004047 /nfs/dbraw/zinc/00/40/47/220004047.db2.gz BSBPXEHBEWNVLH-AAEUAGOBSA-N 0 3 318.377 1.876 20 5 DDBDHN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000275155025 212155213 /nfs/dbraw/zinc/15/52/13/212155213.db2.gz HNELKNZWZWWHPF-JQWIXIFHSA-N 0 3 306.322 1.408 20 5 DDBDHN CC[C@@H]1CCCCN1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000264941506 204288496 /nfs/dbraw/zinc/28/84/96/204288496.db2.gz IJLZPCCPXSAWTO-LLVKDONJSA-N 0 3 321.381 1.765 20 5 DDBDHN CN1CCC(NC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000266128336 205122072 /nfs/dbraw/zinc/12/20/72/205122072.db2.gz QOHNZTWBEVLCKI-UHFFFAOYSA-N 0 3 306.366 1.531 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCC(O)CC2)c1 ZINC000266108081 205103886 /nfs/dbraw/zinc/10/38/86/205103886.db2.gz COOMAGNLBRBGQN-UHFFFAOYSA-N 0 3 321.377 1.480 20 5 DDBDHN COC(=O)c1cc(C)nc(N2CC[C@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000287946340 284525060 /nfs/dbraw/zinc/52/50/60/284525060.db2.gz QDGHLYSWFNMKBE-JTQLQIEISA-N 0 3 308.338 1.225 20 5 DDBDHN COc1c(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000334084038 249209727 /nfs/dbraw/zinc/20/97/27/249209727.db2.gz WDAMABMGWKCZLV-QWRGUYRKSA-N 0 3 307.350 1.816 20 5 DDBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000061380222 184169995 /nfs/dbraw/zinc/16/99/95/184169995.db2.gz IZNYTGFHTPMMEZ-UHFFFAOYSA-N 0 3 315.757 1.556 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCN1CCN(C)C(C)(C)C1 ZINC000340903687 251266950 /nfs/dbraw/zinc/26/69/50/251266950.db2.gz MURWRXQIQQXBNO-UHFFFAOYSA-N 0 3 324.429 1.558 20 5 DDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCCN(CC2CCC2)CC1 ZINC000412306003 224008077 /nfs/dbraw/zinc/00/80/77/224008077.db2.gz DLZXXORAUAOUPU-UHFFFAOYSA-N 0 3 321.381 1.276 20 5 DDBDHN C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1=CCN(C)CC1 ZINC000330762360 533040719 /nfs/dbraw/zinc/04/07/19/533040719.db2.gz HTBRHCQMVTVMAN-LLVKDONJSA-N 0 3 321.381 1.293 20 5 DDBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157305778 197177890 /nfs/dbraw/zinc/17/78/90/197177890.db2.gz SCUBNYFGNCYQMZ-TZMCWYRMSA-N 0 3 321.381 1.124 20 5 DDBDHN C[C@H](CO)N(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000289486955 221011941 /nfs/dbraw/zinc/01/19/41/221011941.db2.gz RESVVNXATQVARE-LLVKDONJSA-N 0 3 304.350 1.808 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1(F)F ZINC000289783085 221222396 /nfs/dbraw/zinc/22/23/96/221222396.db2.gz LVOHORSOVGMZFO-MWLCHTKSSA-N 0 3 304.297 1.129 20 5 DDBDHN COc1ccc(CNCCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000424171619 533660611 /nfs/dbraw/zinc/66/06/11/533660611.db2.gz MBLNXVQPILGPAK-UHFFFAOYSA-N 0 3 316.379 1.518 20 5 DDBDHN Cc1n[nH]c(C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000299578632 533667397 /nfs/dbraw/zinc/66/73/97/533667397.db2.gz XEDPTULILQQYAX-AXFHLTTASA-N 0 3 323.397 1.723 20 5 DDBDHN CO[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000076345443 406963874 /nfs/dbraw/zinc/96/38/74/406963874.db2.gz NMZBZPAPDWCOTL-ZFWWWQNUSA-N 0 3 310.350 1.445 20 5 DDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055900371 407207919 /nfs/dbraw/zinc/20/79/19/407207919.db2.gz VSWBSUUIOYEZQK-HNNXBMFYSA-N 0 3 321.377 1.916 20 5 DDBDHN C[C@H]1CCCCN1CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065867570 407245969 /nfs/dbraw/zinc/24/59/69/407245969.db2.gz OWWUOIZQMYLQAR-ZDUSSCGKSA-N 0 3 320.393 1.997 20 5 DDBDHN C[C@@H](NC(=O)NC[C@](C)(O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000122612698 407306175 /nfs/dbraw/zinc/30/61/75/407306175.db2.gz DRIIMBLPBCGFDU-ABAIWWIYSA-N 0 3 324.381 1.268 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000101631743 407313272 /nfs/dbraw/zinc/31/32/72/407313272.db2.gz HYXZZGUQFIYTNJ-LBPRGKRZSA-N 0 3 307.350 1.818 20 5 DDBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccncc1[N+](=O)[O-])C2 ZINC000124563286 407362321 /nfs/dbraw/zinc/36/23/21/407362321.db2.gz WZXSRVGDUFNNCS-WDEREUQCSA-N 0 3 305.338 1.690 20 5 DDBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCn1cccn1 ZINC000111281185 407406397 /nfs/dbraw/zinc/40/63/97/407406397.db2.gz UBBUVGKSFIFISJ-UHFFFAOYSA-N 0 3 317.349 1.752 20 5 DDBDHN CN1CCN([C@@H]2CCCCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000127021618 407426322 /nfs/dbraw/zinc/42/63/22/407426322.db2.gz AHVVSIIZANSAGJ-CQSZACIVSA-N 0 3 319.409 1.596 20 5 DDBDHN CC(C)OC(=O)C[C@H](NC(=O)[C@H](C)N)c1ccccc1[N+](=O)[O-] ZINC000151857008 407514346 /nfs/dbraw/zinc/51/43/46/407514346.db2.gz BWAXXYVZYFQEFT-JQWIXIFHSA-N 0 3 323.349 1.441 20 5 DDBDHN C[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000187727844 407884783 /nfs/dbraw/zinc/88/47/83/407884783.db2.gz YGIRYTXGFJISRV-AWEZNQCLSA-N 0 3 323.393 1.362 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000268102276 407889394 /nfs/dbraw/zinc/88/93/94/407889394.db2.gz FTHXKLZLDONKFT-FZMZJTMJSA-N 0 3 318.377 1.877 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000268253008 407971198 /nfs/dbraw/zinc/97/11/98/407971198.db2.gz XGELCMDOAKECKZ-XHDPSFHLSA-N 0 3 319.361 1.573 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000262791554 407933194 /nfs/dbraw/zinc/93/31/94/407933194.db2.gz RVPUOGVAJMLMNX-UHFFFAOYSA-N 0 3 313.379 1.242 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272570164 407989713 /nfs/dbraw/zinc/98/97/13/407989713.db2.gz FTCDKOMRRXAYDK-DOMZBBRYSA-N 0 3 319.361 1.526 20 5 DDBDHN C[C@H](NC[C@@H](O)COC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000246015753 408123631 /nfs/dbraw/zinc/12/36/31/408123631.db2.gz IXBLNTIZCAZINJ-APHBMKBZSA-N 0 3 324.377 1.802 20 5 DDBDHN CCN(CCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000263657236 408192759 /nfs/dbraw/zinc/19/27/59/408192759.db2.gz AGKHSMCYRLIXLY-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN CCCc1[nH]nc(C(=O)N(C)[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000151201786 408275116 /nfs/dbraw/zinc/27/51/16/408275116.db2.gz PPQHYZSTGZVYKW-JTQLQIEISA-N 0 3 309.370 1.437 20 5 DDBDHN Cc1c(CC(=O)NCC2(O)CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000269680287 408389146 /nfs/dbraw/zinc/38/91/46/408389146.db2.gz IBXAIGXXNIMIIL-UHFFFAOYSA-N 0 3 321.377 1.019 20 5 DDBDHN CCCc1n[nH]c(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000247289827 408445276 /nfs/dbraw/zinc/44/52/76/408445276.db2.gz GJQNSQADNRSFSJ-QWRGUYRKSA-N 0 3 323.397 1.825 20 5 DDBDHN CCCc1[nH]nc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000247289827 408445280 /nfs/dbraw/zinc/44/52/80/408445280.db2.gz GJQNSQADNRSFSJ-QWRGUYRKSA-N 0 3 323.397 1.825 20 5 DDBDHN COCCN1CCC(NC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183590519 408449263 /nfs/dbraw/zinc/44/92/63/408449263.db2.gz PBVQXSCEAIQDBW-UHFFFAOYSA-N 0 3 323.353 1.222 20 5 DDBDHN Cc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)cc([N+](=O)[O-])c1 ZINC000160590204 408499409 /nfs/dbraw/zinc/49/94/09/408499409.db2.gz XBUBUKAWWIXTAH-OAHLLOKOSA-N 0 3 321.377 1.480 20 5 DDBDHN CS[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000270519543 408560142 /nfs/dbraw/zinc/56/01/42/408560142.db2.gz SPLVRQLCNQGSHG-STQMWFEESA-N 0 3 324.406 1.295 20 5 DDBDHN C[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000177347372 408586804 /nfs/dbraw/zinc/58/68/04/408586804.db2.gz YHLJZEPYDFZOBZ-JTQLQIEISA-N 0 3 313.379 1.261 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000249527347 408736056 /nfs/dbraw/zinc/73/60/56/408736056.db2.gz AGGVRCOBRWMDOF-MBNYWOFBSA-N 0 3 310.350 1.037 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@H](C)CN2CCCCCC2)c1[N+](=O)[O-] ZINC000185429935 408806276 /nfs/dbraw/zinc/80/62/76/408806276.db2.gz YGTCLSPGGGEENU-LLVKDONJSA-N 0 3 323.397 1.631 20 5 DDBDHN CCOc1cc(CN2CC[C@@](C)(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000280840876 408844695 /nfs/dbraw/zinc/84/46/95/408844695.db2.gz XBCHDTHBKJUMRE-OAHLLOKOSA-N 0 3 307.350 1.691 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])cn(CCN2CCCCC2)c1=O ZINC000192823955 163239895 /nfs/dbraw/zinc/23/98/95/163239895.db2.gz SBYNRUSVEBYWGV-UHFFFAOYSA-N 0 3 309.322 1.029 20 5 DDBDHN C[C@H](N[C@H]1CCOC[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000277665207 408988346 /nfs/dbraw/zinc/98/83/46/408988346.db2.gz FUBVSCQLJVXXFG-SRVKXCTJSA-N 0 3 307.350 1.936 20 5 DDBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)Cc1ccccc1 ZINC000293418624 409109225 /nfs/dbraw/zinc/10/92/25/409109225.db2.gz SQDZBQGGJYZYMU-HNNXBMFYSA-N 0 3 304.350 1.327 20 5 DDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283623733 409185940 /nfs/dbraw/zinc/18/59/40/409185940.db2.gz AXWCDJBBTZFICT-JTQLQIEISA-N 0 3 324.356 1.730 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000288098224 409145848 /nfs/dbraw/zinc/14/58/48/409145848.db2.gz UJHXUJLGSADDKT-NSHDSACASA-N 0 3 322.365 1.318 20 5 DDBDHN Cc1nc(N[C@@H](C)CCN2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000295117097 409329127 /nfs/dbraw/zinc/32/91/27/409329127.db2.gz WDYQQQWUWXUDEC-NSHDSACASA-N 0 3 308.386 1.131 20 5 DDBDHN COc1ccc(CN(CCOCCO)C(C)C)cc1[N+](=O)[O-] ZINC000319606562 164037759 /nfs/dbraw/zinc/03/77/59/164037759.db2.gz WVHKMMDRZOBEGZ-UHFFFAOYSA-N 0 3 312.366 1.823 20 5 DDBDHN COc1ccc([C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000321307687 164043517 /nfs/dbraw/zinc/04/35/17/164043517.db2.gz WGNDFCCWVXDAFU-BXUZGUMPSA-N 0 3 320.349 1.512 20 5 DDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000357034101 164136919 /nfs/dbraw/zinc/13/69/19/164136919.db2.gz CEHYZACCFDHIRA-GFCCVEGCSA-N 0 3 321.381 1.323 20 5 DDBDHN COc1cc(C(=O)NCCN2CCCC2)cc([N+](=O)[O-])c1OC ZINC000357065977 409833689 /nfs/dbraw/zinc/83/36/89/409833689.db2.gz AWVJPSZCFULNBY-UHFFFAOYSA-N 0 3 323.349 1.438 20 5 DDBDHN C[C@H]1[C@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1C ZINC000357041244 409810866 /nfs/dbraw/zinc/81/08/66/409810866.db2.gz QMAHKHJNKVKHEN-QWRGUYRKSA-N 0 3 306.366 1.218 20 5 DDBDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000357041247 409812224 /nfs/dbraw/zinc/81/22/24/409812224.db2.gz QMAHKHJNKVKHEN-WDEREUQCSA-N 0 3 306.366 1.218 20 5 DDBDHN CN(C)C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000332224781 409991830 /nfs/dbraw/zinc/99/18/30/409991830.db2.gz KIIRULYMIOGALQ-GFCCVEGCSA-N 0 3 319.365 1.234 20 5 DDBDHN C[C@H]1[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343460319 410471206 /nfs/dbraw/zinc/47/12/06/410471206.db2.gz SHYHHJKYZNGYOU-SMDDNHRTSA-N 0 3 307.350 1.573 20 5 DDBDHN CCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000339883948 410528851 /nfs/dbraw/zinc/52/88/51/410528851.db2.gz GYHVUZSMRQRZGM-GFCCVEGCSA-N 0 3 306.366 1.851 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(C3CC3)CC2)c1 ZINC000299213261 410570219 /nfs/dbraw/zinc/57/02/19/410570219.db2.gz HUMUKELGWAEBRW-UHFFFAOYSA-N 0 3 319.361 1.960 20 5 DDBDHN CN1CC[C@](O)(CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000352361261 410648804 /nfs/dbraw/zinc/64/88/04/410648804.db2.gz QQDFKBUHXQKLTA-HNNXBMFYSA-N 0 3 302.334 1.622 20 5 DDBDHN C[C@H](CN(C)C)Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000343812743 410718233 /nfs/dbraw/zinc/71/82/33/410718233.db2.gz VXTHOYFGDARQFR-CYBMUJFWSA-N 0 3 322.409 1.789 20 5 DDBDHN CS[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000330500414 410731058 /nfs/dbraw/zinc/73/10/58/410731058.db2.gz OSJDYFNCPLIRIM-KBPBESRZSA-N 0 3 323.418 1.641 20 5 DDBDHN C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)N1CCCC[C@H]1C ZINC000340267395 410808634 /nfs/dbraw/zinc/80/86/34/410808634.db2.gz HYFYOIFIFATVMS-VXGBXAGGSA-N 0 3 309.370 1.170 20 5 DDBDHN O=C1CCc2cc([N+](=O)[O-])c(N3CCN4CCC3CC4)cc2N1 ZINC000302772675 410861211 /nfs/dbraw/zinc/86/12/11/410861211.db2.gz NNPZLPBVUWPLPV-UHFFFAOYSA-N 0 3 316.361 1.764 20 5 DDBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000348223781 410864385 /nfs/dbraw/zinc/86/43/85/410864385.db2.gz XWZSPPVRKZHZMH-CQSZACIVSA-N 0 3 318.377 1.362 20 5 DDBDHN CC(=O)N[C@@H](C)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000331107184 410953605 /nfs/dbraw/zinc/95/36/05/410953605.db2.gz GXISJBMVGANYBO-NSHDSACASA-N 0 3 309.370 1.028 20 5 DDBDHN CN(C)CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000353847297 411135362 /nfs/dbraw/zinc/13/53/62/411135362.db2.gz TUGKCCNLDRFSLM-UHFFFAOYSA-N 0 3 323.397 1.514 20 5 DDBDHN Cc1ccnc(N2CCC(OCCN(C)C)CC2)c1[N+](=O)[O-] ZINC000360280053 411120270 /nfs/dbraw/zinc/12/02/70/411120270.db2.gz RWMRZKZUDUJPSE-UHFFFAOYSA-N 0 3 308.382 1.845 20 5 DDBDHN CNc1nccc(C(=O)N(C)C[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000519180177 416898466 /nfs/dbraw/zinc/89/84/66/416898466.db2.gz KNASUCLAZKLQPH-JTQLQIEISA-N 0 3 307.354 1.198 20 5 DDBDHN C[C@H](CO)[C@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000295726217 225168116 /nfs/dbraw/zinc/16/81/16/225168116.db2.gz LOJZTZIVEOIQLD-MNOVXSKESA-N 0 3 307.350 1.090 20 5 DDBDHN O=C1NCCCC[C@H]1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373277928 418418041 /nfs/dbraw/zinc/41/80/41/418418041.db2.gz JTYJWYOOHMNHQQ-GFCCVEGCSA-N 0 3 307.354 1.097 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)CCN1CCN(C)CC1 ZINC000361012715 418566154 /nfs/dbraw/zinc/56/61/54/418566154.db2.gz HCXGNKBEMNVJOI-LBPRGKRZSA-N 0 3 324.429 1.558 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000367463114 418601217 /nfs/dbraw/zinc/60/12/17/418601217.db2.gz FOXNIVWTPCNBBW-SMDDNHRTSA-N 0 3 318.377 1.997 20 5 DDBDHN CN(C)CCOc1cnccc1CNc1ccc([N+](=O)[O-])cn1 ZINC000341028563 418624612 /nfs/dbraw/zinc/62/46/12/418624612.db2.gz DAEKNCVIYOIMHB-UHFFFAOYSA-N 0 3 317.349 1.937 20 5 DDBDHN CCO[C@@H]1COCC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000362022923 418741207 /nfs/dbraw/zinc/74/12/07/418741207.db2.gz HPIDIZZXBXKCLT-LSDHHAIUSA-N 0 3 310.350 1.757 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCO[C@@H]2CCC[C@H]21 ZINC000372352676 418860036 /nfs/dbraw/zinc/86/00/36/418860036.db2.gz ZYEKAFWAMKQYQB-ZIAGYGMSSA-N 0 3 307.350 1.400 20 5 DDBDHN COc1cc(CN2CC[C@H](C(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000411936336 419505690 /nfs/dbraw/zinc/50/56/90/419505690.db2.gz FPBAVPZGZSPQQA-LBPRGKRZSA-N 0 3 307.350 1.514 20 5 DDBDHN COCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421776635 419725645 /nfs/dbraw/zinc/72/56/45/419725645.db2.gz UPGAWBHFUKOGAL-UHFFFAOYSA-N 0 3 323.393 1.910 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CNCCO1 ZINC000415297901 420012300 /nfs/dbraw/zinc/01/23/00/420012300.db2.gz ORFKMACNRHXLPZ-LLVKDONJSA-N 0 3 308.338 1.322 20 5 DDBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000420057434 420106629 /nfs/dbraw/zinc/10/66/29/420106629.db2.gz ZWUUUNNISCKHMB-GFCCVEGCSA-N 0 3 301.368 1.089 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CNCCO1 ZINC000415576419 420115548 /nfs/dbraw/zinc/11/55/48/420115548.db2.gz GEBBFLJPBLXECG-LLVKDONJSA-N 0 3 308.338 1.322 20 5 DDBDHN CCCC[C@@H](CN)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000415506311 420093114 /nfs/dbraw/zinc/09/31/14/420093114.db2.gz ZTRXVCFGNKYZDS-NSHDSACASA-N 0 3 322.365 1.475 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420454059 420298137 /nfs/dbraw/zinc/29/81/37/420298137.db2.gz VNFBMZMVNFZVBR-NSHDSACASA-N 0 3 313.379 1.324 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CNC1(CO)CCCC1 ZINC000441054990 420628425 /nfs/dbraw/zinc/62/84/25/420628425.db2.gz WMCPXEXDQHREDN-UHFFFAOYSA-N 0 3 307.350 1.736 20 5 DDBDHN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CNCCC1(F)F ZINC000449667139 421051878 /nfs/dbraw/zinc/05/18/78/421051878.db2.gz UHQJOUVSBUWXKO-NSHDSACASA-N 0 3 315.276 1.087 20 5 DDBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCCN2CCCO)c(F)c1 ZINC000449384185 421002014 /nfs/dbraw/zinc/00/20/14/421002014.db2.gz AGVMMESPKGQIKS-CQSZACIVSA-N 0 3 311.357 1.670 20 5 DDBDHN CC(COC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000495940047 421098508 /nfs/dbraw/zinc/09/85/08/421098508.db2.gz FWRIGEJKTKVQON-MXWKQRLJSA-N 0 3 316.354 1.888 20 5 DDBDHN O=[N+]([O-])c1ccc2[nH]c(=NC[C@@H]3CCCN3CCCO)[nH]c2c1 ZINC000450598817 421215647 /nfs/dbraw/zinc/21/56/47/421215647.db2.gz RLULARZWAJTRGR-LBPRGKRZSA-N 0 3 319.365 1.152 20 5 DDBDHN CC(COC(=O)[C@@H](F)C1CN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000497165030 421376028 /nfs/dbraw/zinc/37/60/28/421376028.db2.gz KHCZVFZRYPVVNF-SCZZXKLOSA-N 0 3 320.317 1.400 20 5 DDBDHN C[C@H](NC[C@H](O)COC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000553407098 421614208 /nfs/dbraw/zinc/61/42/08/421614208.db2.gz XWIDHAGSALNVLJ-MELADBBJSA-N 0 3 324.377 1.802 20 5 DDBDHN CNc1nccc(C(=O)N(C)CC2(N(C)C)CCC2)c1[N+](=O)[O-] ZINC000553558871 421620566 /nfs/dbraw/zinc/62/05/66/421620566.db2.gz VFDWDMONQCTPBT-UHFFFAOYSA-N 0 3 321.381 1.588 20 5 DDBDHN CCN1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000531634749 421641543 /nfs/dbraw/zinc/64/15/43/421641543.db2.gz JOTPWECCMASVLG-NEPJUHHUSA-N 0 3 306.366 1.935 20 5 DDBDHN COc1ccc(CC(=O)N2C[C@@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000575398928 422295918 /nfs/dbraw/zinc/29/59/18/422295918.db2.gz FRRQNOFWUYOZFC-GHMZBOCLSA-N 0 3 307.350 1.355 20 5 DDBDHN CN(C)CCOCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346016364 272389929 /nfs/dbraw/zinc/38/99/29/272389929.db2.gz SWJSYGBDZJQVFH-UHFFFAOYSA-N 0 3 315.757 1.556 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)NC2(CN(C)C)CCC2)c1[N+](=O)[O-] ZINC000281579273 276041410 /nfs/dbraw/zinc/04/14/10/276041410.db2.gz BIZOGMXEDAJQQB-UHFFFAOYSA-N 0 3 309.370 1.655 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269361861 276173659 /nfs/dbraw/zinc/17/36/59/276173659.db2.gz JSOQEFDHECGJFL-SNVBAGLBSA-N 0 3 309.370 1.655 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](CO)c1ccnn1C ZINC000459719049 279382908 /nfs/dbraw/zinc/38/29/08/279382908.db2.gz RROHWKLXCMXSCC-DGCLKSJQSA-N 0 3 304.350 1.583 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000440758536 280798978 /nfs/dbraw/zinc/79/89/78/280798978.db2.gz VZIPWBULFZGPIV-LLVKDONJSA-N 0 3 315.395 1.473 20 5 DDBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCN1CCCC1 ZINC000089898415 281027305 /nfs/dbraw/zinc/02/73/05/281027305.db2.gz KVVWHQWGECHTAA-ZDUSSCGKSA-N 0 3 320.393 1.949 20 5 DDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCN1CCCC1 ZINC000089899066 281027842 /nfs/dbraw/zinc/02/78/42/281027842.db2.gz MBMIQRNYHCOFLP-CYBMUJFWSA-N 0 3 320.393 1.949 20 5 DDBDHN CN(C)Cc1ccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000126935496 281257643 /nfs/dbraw/zinc/25/76/43/281257643.db2.gz VZGDLKODBLSVOK-UHFFFAOYSA-N 0 3 317.349 1.169 20 5 DDBDHN Nc1c(C(=O)N2CCC[C@H]2CN2CCCC2)cccc1[N+](=O)[O-] ZINC000178182760 295345154 /nfs/dbraw/zinc/34/51/54/295345154.db2.gz XJJTULDYRIEDDT-LBPRGKRZSA-N 0 3 318.377 1.877 20 5 DDBDHN Nc1c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000363123020 300214757 /nfs/dbraw/zinc/21/47/57/300214757.db2.gz WTDSOBFDQXEXQY-LLVKDONJSA-N 0 3 318.377 1.924 20 5 DDBDHN Nc1c(C(=O)N[C@H]2CCN(C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000363123021 300214951 /nfs/dbraw/zinc/21/49/51/300214951.db2.gz WTDSOBFDQXEXQY-NSHDSACASA-N 0 3 318.377 1.924 20 5 DDBDHN C[C@H](CO)N1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000368953013 301109334 /nfs/dbraw/zinc/10/93/34/301109334.db2.gz ZGWFQIKJCFYHNR-CYBMUJFWSA-N 0 3 321.377 1.052 20 5 DDBDHN C[C@H](C[NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000447243319 302395567 /nfs/dbraw/zinc/39/55/67/302395567.db2.gz ARZAFZNTUIYNHR-SSDOTTSWSA-N 0 3 307.759 1.121 20 5 DDBDHN CN(C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000563168281 303928233 /nfs/dbraw/zinc/92/82/33/303928233.db2.gz DDOXSWSNARAZKY-UHFFFAOYSA-N 0 3 323.349 1.436 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000366633685 307078054 /nfs/dbraw/zinc/07/80/54/307078054.db2.gz CKYCFGSEKRTCIW-JSGCOSHPSA-N 0 3 319.409 1.777 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)n1 ZINC000427252856 307302951 /nfs/dbraw/zinc/30/29/51/307302951.db2.gz ZBACYSYQQBXXMY-RYUDHWBXSA-N 0 3 323.397 1.804 20 5 DDBDHN O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ncccc3[O-])CC2)n1 ZINC000576907579 308348287 /nfs/dbraw/zinc/34/82/87/308348287.db2.gz LJBFCBQNCJNAEQ-UHFFFAOYSA-N 0 3 303.322 1.729 20 5 DDBDHN COC[C@@H](O)CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000578880482 308492058 /nfs/dbraw/zinc/49/20/58/308492058.db2.gz GCZBYPVLXHOKED-NSHDSACASA-N 0 3 308.256 1.711 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cc3ccccc3o2)c1 ZINC000583256196 337290339 /nfs/dbraw/zinc/29/03/39/337290339.db2.gz ANAQEJUYKGGSGQ-ZDUSSCGKSA-N 0 3 316.317 1.688 20 5 DDBDHN COCCN(C)CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000209701064 484137442 /nfs/dbraw/zinc/13/74/42/484137442.db2.gz WALZMXZAHUKVBS-SREVYHEPSA-N 0 3 307.350 1.302 20 5 DDBDHN C[C@H]1OCC[C@]1(C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000494204868 534129806 /nfs/dbraw/zinc/12/98/06/534129806.db2.gz MKRLRWMSHVIMRZ-BZNIZROVSA-N 0 3 319.361 1.641 20 5 DDBDHN CCCN1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301966307 528218670 /nfs/dbraw/zinc/21/86/70/528218670.db2.gz KPDMGWJDTWHSGS-UHFFFAOYSA-N 0 3 304.354 1.560 20 5 DDBDHN CC[C@H]1CN(CC)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000451730760 529290099 /nfs/dbraw/zinc/29/00/99/529290099.db2.gz PSYBRLHSJWFPSG-AWEZNQCLSA-N 0 3 320.393 1.610 20 5 DDBDHN C[NH+](C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736755694 598506398 /nfs/dbraw/zinc/50/63/98/598506398.db2.gz DEBFOEREWJBJKV-LLVKDONJSA-N 0 3 317.353 1.305 20 5 DDBDHN C[NH+](C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736755694 598506400 /nfs/dbraw/zinc/50/64/00/598506400.db2.gz DEBFOEREWJBJKV-LLVKDONJSA-N 0 3 317.353 1.305 20 5 DDBDHN CNC(=O)[C@@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582448 698121519 /nfs/dbraw/zinc/12/15/19/698121519.db2.gz QOYVJOBTSZLIDS-TZMCWYRMSA-N 0 3 307.350 1.086 20 5 DDBDHN CC(C)N1CCO[C@H](C(=N)NOCc2ccc([N+](=O)[O-])cc2)C1 ZINC000779649653 698447936 /nfs/dbraw/zinc/44/79/36/698447936.db2.gz KAMKJPJAPSFMAZ-AWEZNQCLSA-N 0 3 322.365 1.702 20 5 DDBDHN CN(C)c1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000756026411 700599421 /nfs/dbraw/zinc/59/94/21/700599421.db2.gz WSMHMOCFYVHZNQ-OAHLLOKOSA-N 0 3 316.361 1.879 20 5 DDBDHN CC(COC(=O)c1cnc(C(=O)OC(C)(C)C)cn1)[N+](=O)[O-] ZINC000813103481 702291943 /nfs/dbraw/zinc/29/19/43/702291943.db2.gz BYYBACCLODHPFK-MRVPVSSYSA-N 0 3 311.294 1.254 20 5 DDBDHN CC(COC(=O)CCCN1C(=O)c2ccccc2C1=O)[N+](=O)[O-] ZINC000813105763 702292917 /nfs/dbraw/zinc/29/29/17/702292917.db2.gz UHJADTRLGXUWLY-JTQLQIEISA-N 0 3 320.301 1.271 20 5 DDBDHN Cc1nc(-c2cnn(C)c2)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106776 702293998 /nfs/dbraw/zinc/29/39/98/702293998.db2.gz GYNPOBQBBNVKFP-SSDOTTSWSA-N 0 3 310.335 1.674 20 5 DDBDHN COCCOc1cc(OC)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107576 702294194 /nfs/dbraw/zinc/29/41/94/702294194.db2.gz UCWLIUKERGBPFY-JTQLQIEISA-N 0 3 313.306 1.542 20 5 DDBDHN CC(COC(=O)[C@H]1CSCN1C(=O)C1CCCC1)[N+](=O)[O-] ZINC000813108736 702295279 /nfs/dbraw/zinc/29/52/79/702295279.db2.gz AFGNUGVPJSOTNE-GXSJLCMTSA-N 0 3 316.379 1.287 20 5 DDBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1NS(C)(=O)=O ZINC000813113589 702298423 /nfs/dbraw/zinc/29/84/23/702298423.db2.gz GSGMEVIJKIAUST-SECBINFHSA-N 0 3 316.335 1.189 20 5 DDBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H](C)S(C)(=O)=O ZINC000866311138 706671028 /nfs/dbraw/zinc/67/10/28/706671028.db2.gz QWRCFRPGHZJDRE-NXEZZACHSA-N 0 3 318.370 1.688 20 5 DDBDHN CCc1ccccc1-n1cc(C(=O)OCC(C)[N+](=O)[O-])nn1 ZINC000842363308 702708880 /nfs/dbraw/zinc/70/88/80/702708880.db2.gz FNYWHNMFXHDZKM-SNVBAGLBSA-N 0 3 304.306 1.652 20 5 DDBDHN CC(COC(=O)c1ccccc1S(=O)(=O)C(F)F)[N+](=O)[O-] ZINC000842363330 702709000 /nfs/dbraw/zinc/70/90/00/702709000.db2.gz GFBDNMXWWUCNOM-SSDOTTSWSA-N 0 3 323.273 1.505 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CCCC(F)(F)[C@H]2O)c1 ZINC000843113905 702821699 /nfs/dbraw/zinc/82/16/99/702821699.db2.gz BDOFLOWOEBCMMN-UPJWGTAASA-N 0 3 316.304 1.767 20 5 DDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000843900829 702939718 /nfs/dbraw/zinc/93/97/18/702939718.db2.gz KEJLJOZDLDBFCU-MFKMUULPSA-N 0 3 307.325 1.818 20 5 DDBDHN NC(=O)c1ccc(CN2CC[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000879561541 706718116 /nfs/dbraw/zinc/71/81/16/706718116.db2.gz QFXBGHGIWHEHGK-OLZOCXBDSA-N 0 3 321.402 1.879 20 5 DDBDHN CC(C)N1C[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000818996652 704047278 /nfs/dbraw/zinc/04/72/78/704047278.db2.gz VAOOKCPVDMJBRM-JSGCOSHPSA-N 0 3 307.350 1.227 20 5 DDBDHN Cc1cccc(F)c1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819113031 704071417 /nfs/dbraw/zinc/07/14/17/704071417.db2.gz KPVUFHPDCCQTOR-LBPRGKRZSA-N 0 3 308.313 1.390 20 5 DDBDHN CC(COC(=O)c1ccn(CCc2ccccc2)n1)[N+](=O)[O-] ZINC000835457740 707256011 /nfs/dbraw/zinc/25/60/11/707256011.db2.gz ZZKURPHMEHFWIK-GFCCVEGCSA-N 0 3 303.318 1.948 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCN1C ZINC000830110207 706456527 /nfs/dbraw/zinc/45/65/27/706456527.db2.gz BQSDJGYEUARYBU-QPKOPYBWSA-N 0 3 303.362 1.907 20 5 DDBDHN COc1ccc(CN(C)[C@@H]2CCOC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000880425584 706970380 /nfs/dbraw/zinc/97/03/80/706970380.db2.gz GHAWSLYHBHVUPG-DOMZBBRYSA-N 0 3 310.350 1.839 20 5 DDBDHN Cc1c(NC(=O)CCN2CC=C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000880490159 706992753 /nfs/dbraw/zinc/99/27/53/706992753.db2.gz MLQWBORTPHWEPB-LBPRGKRZSA-N 0 3 305.334 1.465 20 5 DDBDHN Cc1c(CNC[C@@]23COC(=O)N2CCOC3)cccc1[N+](=O)[O-] ZINC000872260525 707352813 /nfs/dbraw/zinc/35/28/13/707352813.db2.gz BIURSYOYHDRSAL-OAHLLOKOSA-N 0 3 321.333 1.214 20 5 DDBDHN Cc1ccnc(N2CC[C@H]3[C@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC000897222609 708259933 /nfs/dbraw/zinc/25/99/33/708259933.db2.gz WEXNUHHKLXNZFT-QWHCGFSZSA-N 0 3 306.366 1.334 20 5 DDBDHN CN(CCO)CCN(C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000912603695 713044137 /nfs/dbraw/zinc/04/41/37/713044137.db2.gz LSOQTMQFURTIHX-UHFFFAOYSA-N 0 3 323.393 1.255 20 5 DDBDHN O=[N+]([O-])c1ncccc1CN1CC[C@@H](CN2CCOCC2)C1 ZINC000886021129 708682755 /nfs/dbraw/zinc/68/27/55/708682755.db2.gz PJVCUCHRJZEGKR-ZDUSSCGKSA-N 0 3 306.366 1.144 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889778943 709630676 /nfs/dbraw/zinc/63/06/76/709630676.db2.gz CEBSESVAAWCXKD-GJZGRUSLSA-N 0 3 319.361 1.266 20 5 DDBDHN COc1ccc(CN[C@@H]2CCO[C@@]23CCOC3)cc1[N+](=O)[O-] ZINC000903083669 711027018 /nfs/dbraw/zinc/02/70/18/711027018.db2.gz LLNXLEMFCPJCBS-HUUCEWRRSA-N 0 3 308.334 1.641 20 5 DDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000930441074 713836024 /nfs/dbraw/zinc/83/60/24/713836024.db2.gz QXWKVHMGTLHOKI-OFQRWUPVSA-N 0 3 306.362 1.873 20 5 DDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924474619 714590329 /nfs/dbraw/zinc/59/03/29/714590329.db2.gz MMJQGVYNEAVGDW-BXKDBHETSA-N 0 3 306.322 1.138 20 5 DDBDHN CCn1ccnc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126414940 739969519 /nfs/dbraw/zinc/96/95/19/739969519.db2.gz WAENUZUUSPUDGJ-UHFFFAOYSA-N 0 3 317.349 1.331 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1(C(F)F)CC1 ZINC001127216550 744496614 /nfs/dbraw/zinc/49/66/14/744496614.db2.gz AMBPNMYXQVOXCD-UHFFFAOYSA-N 0 3 313.304 1.846 20 5 DDBDHN Cc1cc(N2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)nc(C)n1 ZINC001169027851 762184423 /nfs/dbraw/zinc/18/44/23/762184423.db2.gz RDYVFLNCCWAYPI-CABCVRRESA-N 0 3 319.409 1.661 20 5 DDBDHN COc1ccc(N2CCCc3ccc(CN)nc32)nc1[N+](=O)[O-] ZINC001169584335 762544532 /nfs/dbraw/zinc/54/45/32/762544532.db2.gz OFWLRWVDPAWRCO-UHFFFAOYSA-N 0 3 315.333 1.936 20 5 DDBDHN C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@H]1CNCCO1 ZINC001170566135 768167178 /nfs/dbraw/zinc/16/71/78/768167178.db2.gz DRSKMFUZQWPUNG-ZUZCIYMTSA-N 0 3 302.334 1.932 20 5 DDBDHN CCN(C)C(C)(C)C(=O)NCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001093952615 775259835 /nfs/dbraw/zinc/25/98/35/775259835.db2.gz IGYQKLWWCABVGU-UHFFFAOYSA-N 0 3 323.397 1.557 20 5 DDBDHN CC(C)c1ccc(CNCCN2CCNC2=S)cc1[N+](=O)[O-] ZINC001204126830 777299835 /nfs/dbraw/zinc/29/98/35/777299835.db2.gz BCQPGLRGANRXTP-UHFFFAOYSA-N 0 3 322.434 1.998 20 5 DDBDHN Cc1nc(NCCN(C)C(=O)CN2CCCC2)ccc1[N+](=O)[O-] ZINC001101633387 777330371 /nfs/dbraw/zinc/33/03/71/777330371.db2.gz OQEVPEIXQWVGEQ-UHFFFAOYSA-N 0 3 321.381 1.264 20 5 DDBDHN CCC1(CC)CNC(=O)[C@H]1NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001176451403 778152778 /nfs/dbraw/zinc/15/27/78/778152778.db2.gz BVNORIWTKUKFOB-ZIAGYGMSSA-N 0 3 321.377 1.523 20 5 DDBDHN Cc1nccn1CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001151147726 862650201 /nfs/dbraw/zinc/65/02/01/862650201.db2.gz UVBWUMJHJIIUET-UHFFFAOYSA-N 0 3 317.349 1.006 20 5 DDBDHN COc1ncnc(N2CCNC[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC001156097265 862719676 /nfs/dbraw/zinc/71/96/76/862719676.db2.gz GMPIUEVLFMPPSR-SECBINFHSA-N 0 3 321.362 1.606 20 5 DDBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1ccccn1 ZINC001154132584 864435075 /nfs/dbraw/zinc/43/50/75/864435075.db2.gz KSYUNMZQUXGRSD-UHFFFAOYSA-N 0 3 320.374 1.961 20 5 DDBDHN CN1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC001331492355 865115518 /nfs/dbraw/zinc/11/55/18/865115518.db2.gz IUCQGNOKWGVGBP-UHFFFAOYSA-N 0 3 303.366 1.928 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC001332401692 865814931 /nfs/dbraw/zinc/81/49/31/865814931.db2.gz KHYRDRSRDPNIIW-LSDHHAIUSA-N 0 3 318.377 1.945 20 5 DDBDHN NCc1cn(-c2cnc(Oc3ccc([N+](=O)[O-])cc3)nc2)cn1 ZINC001162302030 867427571 /nfs/dbraw/zinc/42/75/71/867427571.db2.gz IIZCKYZLTYALRH-UHFFFAOYSA-N 0 3 312.289 1.822 20 5 DDBDHN CCN1CCCN(c2nc(NC(C)=O)nc(C)c2[N+](=O)[O-])CC1 ZINC001163773675 868693639 /nfs/dbraw/zinc/69/36/39/868693639.db2.gz WXXBBORFVDWYTK-UHFFFAOYSA-N 0 3 322.369 1.184 20 5 DDBDHN CC(=O)N1CCc2cc(-n3nc(CN)cc3C)cc([N+](=O)[O-])c21 ZINC001163985957 868847767 /nfs/dbraw/zinc/84/77/67/868847767.db2.gz LMIWQYODHPLXNY-UHFFFAOYSA-N 0 3 315.333 1.457 20 5 DDBDHN CN(C)/C=C/c1cc(-n2ncc3c2CCNC3)ncc1[N+](=O)[O-] ZINC001165220330 869444119 /nfs/dbraw/zinc/44/41/19/869444119.db2.gz LEMYFJSNMJSCTA-GQCTYLIASA-N 0 3 314.349 1.354 20 5 DDBDHN CN1CCCC[C@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001339923681 870787579 /nfs/dbraw/zinc/78/75/79/870787579.db2.gz WHIIBYKAXPFHKS-AWEZNQCLSA-N 0 3 306.366 1.878 20 5 DDBDHN O=c1[nH]c2ccc(CNCCn3cc([N+](=O)[O-])cn3)cc2[nH]1 ZINC001308316909 871490258 /nfs/dbraw/zinc/49/02/58/871490258.db2.gz UKOBCJJIOZXBBF-UHFFFAOYSA-N 0 3 302.294 1.163 20 5 DDBDHN C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1C1CCCC1 ZINC001352968657 877045716 /nfs/dbraw/zinc/04/57/16/877045716.db2.gz HFRPTWUTKJDQIE-GFCCVEGCSA-N 0 3 321.381 1.267 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H]1CN2CCC1CC2 ZINC001223448971 880967386 /nfs/dbraw/zinc/96/73/86/880967386.db2.gz UUSJFPHCQYUSHU-HNNXBMFYSA-N 0 3 320.345 1.992 20 5 DDBDHN COCCCC(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001234398730 887934768 /nfs/dbraw/zinc/93/47/68/887934768.db2.gz UZPFOQCQVXHROG-UHFFFAOYSA-N 0 3 323.393 1.960 20 5 DDBDHN CSCC[C@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])C(N)=O ZINC001254549481 896498282 /nfs/dbraw/zinc/49/82/82/896498282.db2.gz WYOHUVVWYQFNKZ-PWSUYJOCSA-N 0 3 311.407 1.722 20 5 DDBDHN COc1ccc(OCCN[C@@H]2COCC2(C)C)c([N+](=O)[O-])c1 ZINC000451810119 231200283 /nfs/dbraw/zinc/20/02/83/231200283.db2.gz OBVMFGJIXDBWQX-CQSZACIVSA-N 0 3 310.350 1.997 20 5 DDBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000286630307 219093291 /nfs/dbraw/zinc/09/32/91/219093291.db2.gz AVRIPBJJNKZIAW-WDEREUQCSA-N 0 3 307.354 1.027 20 5 DDBDHN CN1CC[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]21 ZINC000451627038 529798140 /nfs/dbraw/zinc/79/81/40/529798140.db2.gz GHGOGRYTYMWSGP-MFKMUULPSA-N 0 3 302.334 1.872 20 5 DDBDHN CN(C(=O)CN[C@@H](CO)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000289456640 282349761 /nfs/dbraw/zinc/34/97/61/282349761.db2.gz GLMIZILJPHTYDL-HNNXBMFYSA-N 0 3 321.377 1.698 20 5 DDBDHN Cc1ccc(NC(=O)NC[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358453091 299156717 /nfs/dbraw/zinc/15/67/17/299156717.db2.gz IDXRTJAKTNIADS-AWEZNQCLSA-N 0 3 308.338 1.091 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN[C@H](CCCO)c2ccccc2)n1 ZINC000179727734 186210497 /nfs/dbraw/zinc/21/04/97/186210497.db2.gz WDCQIDNYMYLGMC-CQSZACIVSA-N 0 3 304.350 1.895 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC1(CCO)CCN(C)CC1 ZINC000354141847 290919471 /nfs/dbraw/zinc/91/94/71/290919471.db2.gz FVVFLIXKBYDVOJ-UHFFFAOYSA-N 0 3 321.377 1.480 20 5 DDBDHN CCOC(=O)CC[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000564844725 304019154 /nfs/dbraw/zinc/01/91/54/304019154.db2.gz LXAPTORLNDVNBH-BXUZGUMPSA-N 0 3 310.350 1.950 20 5 DDBDHN CC1CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000047383773 352492738 /nfs/dbraw/zinc/49/27/38/352492738.db2.gz XMVJYHNYSVVSHZ-UHFFFAOYSA-N 0 3 305.378 1.985 20 5 DDBDHN Nc1nc(N2CCN(CC3CCCCC3)CC2)ncc1[N+](=O)[O-] ZINC000064129153 352930484 /nfs/dbraw/zinc/93/04/84/352930484.db2.gz KZKMUPGGIISSFE-UHFFFAOYSA-N 0 3 320.397 1.669 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000065733067 352960675 /nfs/dbraw/zinc/96/06/75/352960675.db2.gz YUHOHHCHOJRLKI-RYUDHWBXSA-N 0 3 323.397 1.479 20 5 DDBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067191904 353038398 /nfs/dbraw/zinc/03/83/98/353038398.db2.gz JDKPVLBQGKLRQM-UHFFFAOYSA-N 0 3 309.322 1.048 20 5 DDBDHN CC(C)N1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000068775388 353129150 /nfs/dbraw/zinc/12/91/50/353129150.db2.gz KVZSIWCGQQMTEI-UHFFFAOYSA-N 0 3 309.370 1.124 20 5 DDBDHN COCCN1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000069529206 353166191 /nfs/dbraw/zinc/16/61/91/353166191.db2.gz WRAKFHNQQNVCCX-CQSZACIVSA-N 0 3 307.350 1.435 20 5 DDBDHN CN(C)C/C=C\C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000491883958 234326020 /nfs/dbraw/zinc/32/60/20/234326020.db2.gz LYHCITYKEHPGOY-DAXSKMNVSA-N 0 3 318.377 1.361 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCN2CCC(c3nnc[nH]3)CC2)cc1 ZINC000083444014 353709780 /nfs/dbraw/zinc/70/97/80/353709780.db2.gz UQCGMFINKSYDNN-UHFFFAOYSA-N 0 3 317.349 1.971 20 5 DDBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H](C)C1 ZINC000346178541 283014185 /nfs/dbraw/zinc/01/41/85/283014185.db2.gz LLZLRWIMXJCWIV-QJPTWQEYSA-N 0 3 321.381 1.131 20 5 DDBDHN COC(=O)[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000280691479 354424200 /nfs/dbraw/zinc/42/42/00/354424200.db2.gz HSBWWGXDAZTLKL-BXUZGUMPSA-N 0 3 308.334 1.715 20 5 DDBDHN CCc1n[nH]c(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000346204777 283025218 /nfs/dbraw/zinc/02/52/18/283025218.db2.gz MNZHPCXYMHGJAY-QWRGUYRKSA-N 0 3 323.397 1.873 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)C[C@@H](C)[NH3+] ZINC000319990579 354523991 /nfs/dbraw/zinc/52/39/91/354523991.db2.gz AEWBVOBGLPSXRO-BDAKNGLRSA-N 0 3 317.367 1.008 20 5 DDBDHN CN1CCC[C@H](N2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)C1 ZINC000587979575 354888911 /nfs/dbraw/zinc/88/89/11/354888911.db2.gz LTMAFOJHUCCGMG-ZDUSSCGKSA-N 0 3 322.384 1.950 20 5 DDBDHN C[C@H]1OCC[C@]1(C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000494225949 235009374 /nfs/dbraw/zinc/00/93/74/235009374.db2.gz DPFQKHRPSNQNDB-ABAIWWIYSA-N 0 3 307.350 1.715 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000588863062 354944074 /nfs/dbraw/zinc/94/40/74/354944074.db2.gz OOFINFKFHLTVEX-UONOGXRCSA-N 0 3 319.361 1.184 20 5 DDBDHN Cc1ccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864065 354944471 /nfs/dbraw/zinc/94/44/71/354944471.db2.gz ZWTFBWLLUHNZFK-ZIAGYGMSSA-N 0 3 319.361 1.184 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000590044699 355043427 /nfs/dbraw/zinc/04/34/27/355043427.db2.gz MFTWICXGYRRWNP-FZMZJTMJSA-N 0 3 314.345 1.852 20 5 DDBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000590561798 355114746 /nfs/dbraw/zinc/11/47/46/355114746.db2.gz GVVWGHBUWDPENZ-MNOVXSKESA-N 0 3 309.322 1.123 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000590443374 355097601 /nfs/dbraw/zinc/09/76/01/355097601.db2.gz IMZHFRHEEDPNJG-RISCZKNCSA-N 0 3 305.334 1.136 20 5 DDBDHN C[C@@H]1CN(CCO)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590765854 355172823 /nfs/dbraw/zinc/17/28/23/355172823.db2.gz ZMZRSMBLDAYZQJ-CQSZACIVSA-N 0 3 323.393 1.362 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000591083759 355244926 /nfs/dbraw/zinc/24/49/26/355244926.db2.gz DPLHDZOLGYCNDL-BVUBDWEXSA-N 0 3 315.373 1.861 20 5 DDBDHN CC1(OCC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CNC1 ZINC000592530428 355616589 /nfs/dbraw/zinc/61/65/89/355616589.db2.gz XBAOEBIEERIOEE-UHFFFAOYSA-N 0 3 321.377 1.412 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H]2CCOC[C@H]2C)c1 ZINC000593027064 355773654 /nfs/dbraw/zinc/77/36/54/355773654.db2.gz JTVRXGGLSDGBCD-MFKMUULPSA-N 0 3 308.334 1.896 20 5 DDBDHN CN(C)CC1(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000593147549 355811446 /nfs/dbraw/zinc/81/14/46/355811446.db2.gz OKEHRMJQCXKCGT-UHFFFAOYSA-N 0 3 309.341 1.877 20 5 DDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCN(C2CC2)C1 ZINC000593420861 355880186 /nfs/dbraw/zinc/88/01/86/355880186.db2.gz IJLAUQFQUWZODC-GFCCVEGCSA-N 0 3 307.325 1.629 20 5 DDBDHN COc1cc(C[NH2+]CCC2(CO)CCC2)c([N+](=O)[O-])cc1[O-] ZINC000593692690 355968482 /nfs/dbraw/zinc/96/84/82/355968482.db2.gz DJEPTJCQIFCYLF-UHFFFAOYSA-N 0 3 310.350 1.951 20 5 DDBDHN CCOc1ccc(C(=O)N[C@@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594451244 356221523 /nfs/dbraw/zinc/22/15/23/356221523.db2.gz GJRLCFPUSDJAGP-JTQLQIEISA-N 0 3 321.255 1.613 20 5 DDBDHN O=C1C[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])CN1C1CC1 ZINC000594500368 356238089 /nfs/dbraw/zinc/23/80/89/356238089.db2.gz RSXYFIHHIBNKHZ-HZMBPMFUSA-N 0 3 301.346 1.935 20 5 DDBDHN CN1CC[C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC000272209567 283153641 /nfs/dbraw/zinc/15/36/41/283153641.db2.gz PXRNYWMHVZGYGQ-VHSXEESVSA-N 0 3 307.379 1.834 20 5 DDBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@]1(OCCO)CCOC1 ZINC000594974926 356366900 /nfs/dbraw/zinc/36/69/00/356366900.db2.gz NZRTYSRVEOZURZ-OICCZTGUSA-N 0 3 322.361 1.366 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@]1(OCCO)CCOC1 ZINC000595072218 356378365 /nfs/dbraw/zinc/37/83/65/356378365.db2.gz QSSVQFHMZUQXEW-GOEBONIOSA-N 0 3 322.361 1.340 20 5 DDBDHN O=[N+]([O-])c1cc(F)ccc1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000595336781 356453932 /nfs/dbraw/zinc/45/39/32/356453932.db2.gz RKOFXPJXAQZBEW-CYBMUJFWSA-N 0 3 323.368 1.888 20 5 DDBDHN CN1CC[C@]2(CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C2)C1 ZINC000488767895 283171067 /nfs/dbraw/zinc/17/10/67/283171067.db2.gz LJRPKPDSVWXJPK-HNNXBMFYSA-N 0 3 304.350 1.226 20 5 DDBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1COCCO1 ZINC000595738561 356629522 /nfs/dbraw/zinc/62/95/22/356629522.db2.gz WFNGPFLJBBPIAX-AWEZNQCLSA-N 0 3 323.349 1.271 20 5 DDBDHN C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1C ZINC000596137027 356787608 /nfs/dbraw/zinc/78/76/08/356787608.db2.gz OCOUWMXJLSARGC-ZYHUDNBSSA-N 0 3 306.366 1.613 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN(CCN(C)C)CC(=O)N(C)C ZINC000597207472 357092897 /nfs/dbraw/zinc/09/28/97/357092897.db2.gz YMXRTIYELSTQLP-UHFFFAOYSA-N 0 3 322.409 1.355 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)n1 ZINC000597710892 357297016 /nfs/dbraw/zinc/29/70/16/357297016.db2.gz PWZLBWNIGXGYAN-HNNXBMFYSA-N 0 3 321.381 1.369 20 5 DDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000597858783 357361101 /nfs/dbraw/zinc/36/11/01/357361101.db2.gz OZTGKSTVTHGQOB-CYBMUJFWSA-N 0 3 321.377 1.963 20 5 DDBDHN CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000597945618 357393890 /nfs/dbraw/zinc/39/38/90/357393890.db2.gz JXKBXNZHCYLSJP-ZDUSSCGKSA-N 0 3 320.393 1.949 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@H]2CCN(CCC)C2)c1[N+](=O)[O-] ZINC000598341876 357544298 /nfs/dbraw/zinc/54/42/98/357544298.db2.gz HOLNBPDFYTWOGA-JTQLQIEISA-N 0 3 309.370 1.485 20 5 DDBDHN CCCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000598341801 357544661 /nfs/dbraw/zinc/54/46/61/357544661.db2.gz GJZBTRQTHPUKIN-LBPRGKRZSA-N 0 3 307.350 1.818 20 5 DDBDHN CCCN1CC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000598343142 357545847 /nfs/dbraw/zinc/54/58/47/357545847.db2.gz RHPZVGRGYKPJOM-JTQLQIEISA-N 0 3 317.349 1.685 20 5 DDBDHN CC[C@@H]1CN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598532438 357623537 /nfs/dbraw/zinc/62/35/37/357623537.db2.gz YMRWXBTWRGDLEV-WCQYABFASA-N 0 3 321.377 1.745 20 5 DDBDHN C[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000598643499 357666465 /nfs/dbraw/zinc/66/64/65/357666465.db2.gz LMUYIPKAVOKOKM-UMVBOHGHSA-N 0 3 324.377 1.285 20 5 DDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CC[NH2+]C12CCC2 ZINC000599108867 357818421 /nfs/dbraw/zinc/81/84/21/357818421.db2.gz YPOYHCXLRJQVII-LBPRGKRZSA-N 0 3 311.363 1.158 20 5 DDBDHN CC1(C)C[C@H](NC[C@@H]2COCCN2)c2cc([N+](=O)[O-])ccc21 ZINC000600709980 358290905 /nfs/dbraw/zinc/29/09/05/358290905.db2.gz MOLYBSQQGQYEOI-ABAIWWIYSA-N 0 3 305.378 1.895 20 5 DDBDHN O=[N+]([O-])c1ccc2nccc(NCCN3CC[C@H](O)C3)c2c1 ZINC000601204960 358446479 /nfs/dbraw/zinc/44/64/79/358446479.db2.gz VNQLBDYOQDZOTL-LBPRGKRZSA-N 0 3 302.334 1.043 20 5 DDBDHN CC[C@H](C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000601775627 358690091 /nfs/dbraw/zinc/69/00/91/358690091.db2.gz GQPHFJGCRNNMSC-UKRRQHHQSA-N 0 3 309.366 1.259 20 5 DDBDHN O=[N+]([O-])c1ccn(C[C@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000601960889 358754636 /nfs/dbraw/zinc/75/46/36/358754636.db2.gz XIWVXXGUSVBSGZ-HNNXBMFYSA-N 0 3 302.334 1.428 20 5 DDBDHN Cn1cc(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])n1 ZINC000602837063 359228231 /nfs/dbraw/zinc/22/82/31/359228231.db2.gz SSLCJSSRUCPKKP-MCIONIFRSA-N 0 3 308.382 1.844 20 5 DDBDHN Cn1cc(C[C@H]2CCC[C@@H]2NCc2cn(C)nc2[N+](=O)[O-])cn1 ZINC000602894408 359277991 /nfs/dbraw/zinc/27/79/91/359277991.db2.gz GMXZYSMTSRUUJT-OCCSQVGLSA-N 0 3 318.381 1.563 20 5 DDBDHN C[C@@](CO)(NCCN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602963015 359325980 /nfs/dbraw/zinc/32/59/80/359325980.db2.gz ROIRTBUMUCAAPI-INIZCTEOSA-N 0 3 307.394 1.878 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H]1CCCS(=O)(=O)C1 ZINC000565726342 304087032 /nfs/dbraw/zinc/08/70/32/304087032.db2.gz RRMSMFCROGRZGY-BXUZGUMPSA-N 0 3 324.402 1.997 20 5 DDBDHN Cc1ccc(NC(=O)c2n[nH]c3c2CNCC3)cc1[N+](=O)[O-] ZINC000188190184 200206673 /nfs/dbraw/zinc/20/66/73/200206673.db2.gz RLGQEQMSUICDTC-UHFFFAOYSA-N 0 3 301.306 1.524 20 5 DDBDHN C[C@H](CO)CCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611146494 360636901 /nfs/dbraw/zinc/63/69/01/360636901.db2.gz QFTYRKHSWDWUAU-NSHDSACASA-N 0 3 310.350 1.864 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C(C)(C)C[NH3+])c1 ZINC000193261971 201015764 /nfs/dbraw/zinc/01/57/64/201015764.db2.gz VVPAIMNTZBWYRK-UHFFFAOYSA-N 0 3 321.786 1.572 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC2CC(N3CCCCC3)C2)n1 ZINC000619451657 364018567 /nfs/dbraw/zinc/01/85/67/364018567.db2.gz WODNZJVFSREOHD-UHFFFAOYSA-N 0 3 321.381 1.558 20 5 DDBDHN CC[C@H]1CN(C)CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000619566964 364063836 /nfs/dbraw/zinc/06/38/36/364063836.db2.gz CVSMLBILXDBGDK-ZDUSSCGKSA-N 0 3 321.377 1.916 20 5 DDBDHN CN(Cc1cccc(Cl)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266389346 205312643 /nfs/dbraw/zinc/31/26/43/205312643.db2.gz BXBVAQDGNSRAFR-AWEZNQCLSA-N 0 3 324.768 1.938 20 5 DDBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000337230280 249399807 /nfs/dbraw/zinc/39/98/07/249399807.db2.gz VTSRBBVFJCKHIZ-WOPDTQHZSA-N 0 3 307.350 1.936 20 5 DDBDHN Cc1cc(NC[C@@H](O)[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000340780847 251208460 /nfs/dbraw/zinc/20/84/60/251208460.db2.gz QGBXFZBCISOBRY-MEDUHNTESA-N 0 3 317.345 1.683 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H](C)[NH3+])cc1C ZINC000063170839 184275798 /nfs/dbraw/zinc/27/57/98/184275798.db2.gz OGYXFODOFSKJHL-JTQLQIEISA-N 0 3 301.368 1.227 20 5 DDBDHN C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272995112 210375775 /nfs/dbraw/zinc/37/57/75/210375775.db2.gz QNZKCRPEPIBKFN-LBPRGKRZSA-N 0 3 319.361 1.740 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN(CCO)[C@H]2CCc3ccccc32)c1 ZINC000266926079 285189252 /nfs/dbraw/zinc/18/92/52/285189252.db2.gz KJMQTILYMGDDQX-INIZCTEOSA-N 0 3 316.361 1.773 20 5 DDBDHN CC(C)(C)CNC(=O)C(C)(C)NCCn1ccc([N+](=O)[O-])n1 ZINC000155552601 197065635 /nfs/dbraw/zinc/06/56/35/197065635.db2.gz BCOKNXBIMRMGJD-UHFFFAOYSA-N 0 3 311.386 1.322 20 5 DDBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@H](CO)[C@H]1CCCOC1 ZINC000414568977 224354958 /nfs/dbraw/zinc/35/49/58/224354958.db2.gz ZDXJJPZZOIKQIH-STJXIEADSA-N 0 3 306.362 1.985 20 5 DDBDHN C[C@@H](NCC1(CO)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294681464 533359231 /nfs/dbraw/zinc/35/92/31/533359231.db2.gz IEDWPIIYRWQYRB-LLVKDONJSA-N 0 3 309.366 1.617 20 5 DDBDHN CO[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1(C)C ZINC000295908387 533413728 /nfs/dbraw/zinc/41/37/28/533413728.db2.gz HJGRIXHMGOEQPN-CYBMUJFWSA-N 0 3 309.366 1.503 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC000193296078 292087554 /nfs/dbraw/zinc/08/75/54/292087554.db2.gz RLABFUUUOBPPCL-UHFFFAOYSA-N 0 3 301.368 1.227 20 5 DDBDHN O=C(NCCN1CCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000074448687 406912763 /nfs/dbraw/zinc/91/27/63/406912763.db2.gz LWQBSROLICQEQJ-UHFFFAOYSA-N 0 3 303.322 1.297 20 5 DDBDHN Cc1ccc([C@H](C)NC[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000038083110 406999409 /nfs/dbraw/zinc/99/94/09/406999409.db2.gz PDSYHIRHRBFOFO-NWDGAFQWSA-N 0 3 312.391 1.989 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@@H](C)C1 ZINC000046879089 407064455 /nfs/dbraw/zinc/06/44/55/407064455.db2.gz KVLUADCYLKNJKN-LLVKDONJSA-N 0 3 306.366 1.760 20 5 DDBDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000122487265 407303084 /nfs/dbraw/zinc/30/30/84/407303084.db2.gz USYKPTQJSFXTNJ-LBPRGKRZSA-N 0 3 324.381 1.191 20 5 DDBDHN Cc1nn(C)c(C(=O)NCCN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000098098665 407306168 /nfs/dbraw/zinc/30/61/68/407306168.db2.gz FXVSEEZNAQCWOW-UHFFFAOYSA-N 0 3 309.370 1.098 20 5 DDBDHN CN(CC1CCN(C)CC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000103453658 407339589 /nfs/dbraw/zinc/33/95/89/407339589.db2.gz CCDBYUCNYMOPAV-UHFFFAOYSA-N 0 3 305.378 1.938 20 5 DDBDHN C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000186487644 407680537 /nfs/dbraw/zinc/68/05/37/407680537.db2.gz AEUAVUKWMKYAIH-IINYFYTJSA-N 0 3 317.349 1.739 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000268177652 407931042 /nfs/dbraw/zinc/93/10/42/407931042.db2.gz KWSHIZRJLPPIEF-IAQYHMDHSA-N 0 3 319.361 1.573 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272601483 408000028 /nfs/dbraw/zinc/00/00/28/408000028.db2.gz HERRHLAHXCIDNP-JOYOIKCWSA-N 0 3 304.350 1.390 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272601478 408002658 /nfs/dbraw/zinc/00/26/58/408002658.db2.gz HERRHLAHXCIDNP-CABZTGNLSA-N 0 3 304.350 1.390 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)CCN(C)C ZINC000154788429 408086557 /nfs/dbraw/zinc/08/65/57/408086557.db2.gz UIDSUXYULNCQLE-UHFFFAOYSA-N 0 3 322.365 1.170 20 5 DDBDHN CC(C)(C)[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1O ZINC000273244429 408123686 /nfs/dbraw/zinc/12/36/86/408123686.db2.gz GERNIQHYFXWIGT-KGLIPLIRSA-N 0 3 323.393 1.485 20 5 DDBDHN O=[N+]([O-])c1ccc(CCN2CCN(C3CCOCC3)CC2)cc1 ZINC000175474803 408140014 /nfs/dbraw/zinc/14/00/14/408140014.db2.gz QKSLWKGXWWBWCK-UHFFFAOYSA-N 0 3 319.405 1.934 20 5 DDBDHN Cc1c([C@H](C)NC[C@@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000268733123 408182126 /nfs/dbraw/zinc/18/21/26/408182126.db2.gz CSJVQZHHOHTWMV-RYUDHWBXSA-N 0 3 312.391 1.989 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCSC2)cc1 ZINC000273407515 408184499 /nfs/dbraw/zinc/18/44/99/408184499.db2.gz HKPZTKKEOJMANR-JTQLQIEISA-N 0 3 316.404 1.464 20 5 DDBDHN COc1ccc([C@H](CO)N(C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176243406 408322034 /nfs/dbraw/zinc/32/20/34/408322034.db2.gz DTEQQFHKMMYYSI-AWEZNQCLSA-N 0 3 320.349 1.465 20 5 DDBDHN CN(C)C[C@H]1CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000263917225 408313924 /nfs/dbraw/zinc/31/39/24/408313924.db2.gz NJGZNXLHCYJEQC-CYBMUJFWSA-N 0 3 307.350 1.526 20 5 DDBDHN C[C@@H]1CC(O)C[C@H](C)N1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000191190289 408383934 /nfs/dbraw/zinc/38/39/34/408383934.db2.gz ARTFGOJESFOSBV-PIGZVRMJSA-N 0 3 324.377 1.568 20 5 DDBDHN COc1cc(C(=O)NC2CCN(C)CC2)cc([N+](=O)[O-])c1C ZINC000191238109 408392819 /nfs/dbraw/zinc/39/28/19/408392819.db2.gz SJHQTSKVKAJBBV-UHFFFAOYSA-N 0 3 307.350 1.736 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000274427200 408401174 /nfs/dbraw/zinc/40/11/74/408401174.db2.gz FIPJTARBIVLSKI-CYBMUJFWSA-N 0 3 323.397 1.479 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000247210383 408430885 /nfs/dbraw/zinc/43/08/85/408430885.db2.gz CFWJLSFMUFSWES-JQWIXIFHSA-N 0 3 309.370 1.041 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177128932 408528212 /nfs/dbraw/zinc/52/82/12/408528212.db2.gz KQFOATOKPVTRCR-DGCLKSJQSA-N 0 3 303.362 1.879 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000177133893 408529987 /nfs/dbraw/zinc/52/99/87/408529987.db2.gz FNIMYLZJIQDGDJ-VXGBXAGGSA-N 0 3 319.361 1.715 20 5 DDBDHN CC[C@H](O)[C@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000269937113 408474513 /nfs/dbraw/zinc/47/45/13/408474513.db2.gz YQQDXZNBRGGCQF-KGLIPLIRSA-N 0 3 309.366 1.382 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000177205417 408553125 /nfs/dbraw/zinc/55/31/25/408553125.db2.gz YFHHWYWDYAIPOT-QWRGUYRKSA-N 0 3 319.361 1.958 20 5 DDBDHN CC1(C)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000275543101 408595858 /nfs/dbraw/zinc/59/58/58/408595858.db2.gz ZFKCGJCLFBREOE-DOMZBBRYSA-N 0 3 324.377 1.427 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000177154572 408536110 /nfs/dbraw/zinc/53/61/10/408536110.db2.gz XZBJJXOBUOCYFP-ONGXEEELSA-N 0 3 304.350 1.532 20 5 DDBDHN CN(C)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1 ZINC000160922575 408540432 /nfs/dbraw/zinc/54/04/32/408540432.db2.gz DIAVOYFGDXIBKY-LLVKDONJSA-N 0 3 303.322 1.351 20 5 DDBDHN CN(C)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000160922575 408540436 /nfs/dbraw/zinc/54/04/36/408540436.db2.gz DIAVOYFGDXIBKY-LLVKDONJSA-N 0 3 303.322 1.351 20 5 DDBDHN COC(=O)[C@]1(C)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000177434645 408615061 /nfs/dbraw/zinc/61/50/61/408615061.db2.gz JYTVBBBYUOJFKO-OAHLLOKOSA-N 0 3 308.334 1.859 20 5 DDBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270746079 408662153 /nfs/dbraw/zinc/66/21/53/408662153.db2.gz HFGOYJOEADUIFR-UTUOFQBUSA-N 0 3 323.397 1.425 20 5 DDBDHN NC(=O)[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184842494 408701408 /nfs/dbraw/zinc/70/14/08/408701408.db2.gz XNRNVBAXEMRIKI-GHMZBOCLSA-N 0 3 320.349 1.167 20 5 DDBDHN O=[N+]([O-])c1cccc(CN(C[C@@H](O)Cn2cccn2)C2CC2)c1 ZINC000177999966 408753869 /nfs/dbraw/zinc/75/38/69/408753869.db2.gz UGDSCMTVAAIFTD-MRXNPFEDSA-N 0 3 316.361 1.817 20 5 DDBDHN CCOCCOCCN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000276114547 408821365 /nfs/dbraw/zinc/82/13/65/408821365.db2.gz AGGSAFDLHYJZRI-UHFFFAOYSA-N 0 3 312.366 1.959 20 5 DDBDHN CC(C)CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C1CCN(C)CC1 ZINC000285631323 408832214 /nfs/dbraw/zinc/83/22/14/408832214.db2.gz RFQATRDSDGCIDQ-UHFFFAOYSA-N 0 3 309.370 1.510 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC1(N(C)C)CCC1 ZINC000186994548 163000845 /nfs/dbraw/zinc/00/08/45/163000845.db2.gz FSUDWRSLGZWUSD-UHFFFAOYSA-N 0 3 323.397 1.433 20 5 DDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCCN1C1CC1 ZINC000277432165 408939013 /nfs/dbraw/zinc/93/90/13/408939013.db2.gz DTCZJRYFDUIFPJ-ZDUSSCGKSA-N 0 3 321.381 1.315 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000287292766 409014332 /nfs/dbraw/zinc/01/43/32/409014332.db2.gz USFLSFAUJMNCCJ-NSHDSACASA-N 0 3 317.349 1.460 20 5 DDBDHN CO[C@@]1(C)CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000279313538 409189517 /nfs/dbraw/zinc/18/95/17/409189517.db2.gz NKOZJWBPKPHLMS-HOCLYGCPSA-N 0 3 324.377 1.835 20 5 DDBDHN COC(=O)c1cc(C)nc(N[C@@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000283732333 409205695 /nfs/dbraw/zinc/20/56/95/409205695.db2.gz IAMRPGFBICMZSX-LLVKDONJSA-N 0 3 322.365 1.979 20 5 DDBDHN CO[C@@]1(C)CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000280359174 409299259 /nfs/dbraw/zinc/29/92/59/409299259.db2.gz JPMIMRMNTQOBSB-HNNXBMFYSA-N 0 3 309.366 1.648 20 5 DDBDHN CC[C@@H](C)N1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000296080089 409421336 /nfs/dbraw/zinc/42/13/36/409421336.db2.gz PELNHZMVQTYRIG-GFCCVEGCSA-N 0 3 320.393 1.610 20 5 DDBDHN CCc1nn(C)c(NC[C@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000317844502 164028914 /nfs/dbraw/zinc/02/89/14/164028914.db2.gz YAJXIMXGAIDACF-MNOVXSKESA-N 0 3 309.370 1.166 20 5 DDBDHN CCN(CCNC(=O)c1cccc([N+](=O)[O-])c1NC)C1CC1 ZINC000318884672 164033901 /nfs/dbraw/zinc/03/39/01/164033901.db2.gz NIFFVHGBSOZICD-UHFFFAOYSA-N 0 3 306.366 1.851 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CCN(C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000295425728 409475718 /nfs/dbraw/zinc/47/57/18/409475718.db2.gz UHMSWWOSXKUJCI-JTQLQIEISA-N 0 3 321.381 1.437 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000295425728 409475724 /nfs/dbraw/zinc/47/57/24/409475724.db2.gz UHMSWWOSXKUJCI-JTQLQIEISA-N 0 3 321.381 1.437 20 5 DDBDHN C[C@H](CN1CCCCCC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000331471618 409543968 /nfs/dbraw/zinc/54/39/68/409543968.db2.gz IEVPSUBHIXFSDH-LLVKDONJSA-N 0 3 309.370 1.323 20 5 DDBDHN COC[C@H](C)OC[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296870124 409679448 /nfs/dbraw/zinc/67/94/48/409679448.db2.gz ZMVNOKNCWLRJBS-HUBLWGQQSA-N 0 3 312.366 1.658 20 5 DDBDHN C[C@H](CN(C)C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000346130233 409808460 /nfs/dbraw/zinc/80/84/60/409808460.db2.gz GSSKCNDXVOTHSU-LLVKDONJSA-N 0 3 317.349 1.460 20 5 DDBDHN CC(C)N(C)C[C@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000354515333 409910612 /nfs/dbraw/zinc/91/06/12/409910612.db2.gz YBFNZIPHZFTLKE-NSHDSACASA-N 0 3 322.365 1.378 20 5 DDBDHN CCN(CCO)CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297497196 409921213 /nfs/dbraw/zinc/92/12/13/409921213.db2.gz FYKWZJCAUHOHLZ-LBPRGKRZSA-N 0 3 324.381 1.269 20 5 DDBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CCN1C1CCN(C)CC1 ZINC000354741680 410052997 /nfs/dbraw/zinc/05/29/97/410052997.db2.gz DAYJDQWWTDZNJD-ZDUSSCGKSA-N 0 3 319.409 1.595 20 5 DDBDHN CCN1CC[C@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000339389469 410150099 /nfs/dbraw/zinc/15/00/99/410150099.db2.gz CCSAYMMOILPBAN-JKSUJKDBSA-N 0 3 305.378 1.890 20 5 DDBDHN CCN1CC[C@@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000339395810 410157041 /nfs/dbraw/zinc/15/70/41/410157041.db2.gz LYMRGMPUKVYWSK-CVEARBPZSA-N 0 3 305.378 1.890 20 5 DDBDHN CCN1CC[C@H]2OCCN(Cc3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000339396115 410157245 /nfs/dbraw/zinc/15/72/45/410157245.db2.gz TWECKCWIRXRMQP-CHWSQXEVSA-N 0 3 311.407 1.951 20 5 DDBDHN CC(C)[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CCN1C ZINC000343206877 410234983 /nfs/dbraw/zinc/23/49/83/410234983.db2.gz OOKWTTDBELCMQW-CYBMUJFWSA-N 0 3 306.366 1.470 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1-c1noc(C2CCN(C3CC3)CC2)n1 ZINC000347138501 410355210 /nfs/dbraw/zinc/35/52/10/410355210.db2.gz RBZVKWZCDYPKFP-UHFFFAOYSA-N 0 3 318.337 1.720 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@]1(O)CCN(C)C1 ZINC000358132108 410377208 /nfs/dbraw/zinc/37/72/08/410377208.db2.gz GMFMLLZVKOZNFX-HNNXBMFYSA-N 0 3 309.366 1.150 20 5 DDBDHN CCCN1CCC[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000343583948 410552927 /nfs/dbraw/zinc/55/29/27/410552927.db2.gz ZIULSRCPHGZWRU-LBPRGKRZSA-N 0 3 323.397 1.517 20 5 DDBDHN COCCCN1CCC(Nc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000301139798 410663227 /nfs/dbraw/zinc/66/32/27/410663227.db2.gz DBRIKSWJLKVTRC-UHFFFAOYSA-N 0 3 311.386 1.550 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](OCCN(C)C)C1 ZINC000359586550 410754156 /nfs/dbraw/zinc/75/41/56/410754156.db2.gz JZZIHPYSNMEOTE-LBPRGKRZSA-N 0 3 311.386 1.277 20 5 DDBDHN CN1CC[C@H]2[C@H](CCCN2c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000302709282 410850048 /nfs/dbraw/zinc/85/00/48/410850048.db2.gz DDRCDJFGXZZMDV-NEPJUHHUSA-N 0 3 316.365 1.558 20 5 DDBDHN COC(=O)COc1ccc(CN[C@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000353204293 410851747 /nfs/dbraw/zinc/85/17/47/410851747.db2.gz BSAMBAOXVVIKED-OAHLLOKOSA-N 0 3 324.333 1.415 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CCN1C ZINC000341187157 410925177 /nfs/dbraw/zinc/92/51/77/410925177.db2.gz CGVZSRHUSOHKHF-GXTWGEPZSA-N 0 3 320.393 1.919 20 5 DDBDHN O=C(N[C@H]1CCN(CC2CCCC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000353369161 410944522 /nfs/dbraw/zinc/94/45/22/410944522.db2.gz KCBNOMCVBKELDE-NSHDSACASA-N 0 3 307.354 1.312 20 5 DDBDHN COc1ccc(NC(=O)CCN(C)C2CC(O)C2)c([N+](=O)[O-])c1 ZINC000353492837 411026723 /nfs/dbraw/zinc/02/67/23/411026723.db2.gz VQUXRHNFVKLHLT-UHFFFAOYSA-N 0 3 323.349 1.387 20 5 DDBDHN CCNC(=O)[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC001120559451 782023178 /nfs/dbraw/zinc/02/31/78/782023178.db2.gz SWKFTKXXAPDDQN-KGLIPLIRSA-N 0 3 309.366 1.379 20 5 DDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN(CCCO)C1 ZINC000295588611 225021173 /nfs/dbraw/zinc/02/11/73/225021173.db2.gz WGGFSCYTSDHNAM-AWEZNQCLSA-N 0 3 321.377 1.100 20 5 DDBDHN C[C@@H]1OCC[C@H]1N(CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000361583629 418685578 /nfs/dbraw/zinc/68/55/78/418685578.db2.gz LPGOJQURIIQLMF-SWLSCSKDSA-N 0 3 310.350 1.445 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](O)C[C@H]1C ZINC000411413828 418901440 /nfs/dbraw/zinc/90/14/40/418901440.db2.gz AONLDTWRLPHYJY-ZYHUDNBSSA-N 0 3 323.349 1.387 20 5 DDBDHN C[C@@H]1[C@@H](CO)CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000412079777 419635156 /nfs/dbraw/zinc/63/51/56/419635156.db2.gz NATDXKPYNVKAED-NFAWXSAZSA-N 0 3 324.377 1.427 20 5 DDBDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000415510792 420095125 /nfs/dbraw/zinc/09/51/25/420095125.db2.gz ZRUWTWQBJKSRJG-CABZTGNLSA-N 0 3 308.338 1.829 20 5 DDBDHN CCc1ccccc1[C@H](N)CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000423979046 420290054 /nfs/dbraw/zinc/29/00/54/420290054.db2.gz OYDMHLSGMVTLOE-CYBMUJFWSA-N 0 3 302.334 1.915 20 5 DDBDHN Cc1c(NC(=O)[C@@H](C)N2CCN[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000420339944 420220768 /nfs/dbraw/zinc/22/07/68/420220768.db2.gz RPSWZPRFZQSXTR-ZYHUDNBSSA-N 0 3 306.366 1.524 20 5 DDBDHN CN(C[C@@H]1CCCN1C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000420786159 420389680 /nfs/dbraw/zinc/38/96/80/420389680.db2.gz VDEQVSSSRLUHBI-AWEZNQCLSA-N 0 3 306.366 1.830 20 5 DDBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](n3ccnn3)C2)c1 ZINC000425498856 420399828 /nfs/dbraw/zinc/39/98/28/420399828.db2.gz HMCLGOCVRQBANO-AWEZNQCLSA-N 0 3 317.349 1.902 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](CC(F)(F)F)C2)c1 ZINC000444697970 230124274 /nfs/dbraw/zinc/12/42/74/230124274.db2.gz RIFCAGAKKRDMMC-MWLCHTKSSA-N 0 3 322.287 1.427 20 5 DDBDHN CO[C@@H]1C[C@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000451497519 420602316 /nfs/dbraw/zinc/60/23/16/420602316.db2.gz MTFPVWVGBVVIKQ-UONOGXRCSA-N 0 3 321.377 1.961 20 5 DDBDHN CCc1nn(C)c(NC[C@@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000450601234 421216587 /nfs/dbraw/zinc/21/65/87/421216587.db2.gz YCBRQJDFWANUKT-NSHDSACASA-N 0 3 311.386 1.149 20 5 DDBDHN C[C@]1(CO)CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000546104469 421284372 /nfs/dbraw/zinc/28/43/72/421284372.db2.gz KHFGXGRUUMSMHX-DZGCQCFKSA-N 0 3 310.350 1.181 20 5 DDBDHN CC(COC(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000496814242 421322079 /nfs/dbraw/zinc/32/20/79/421322079.db2.gz ANGJKBMQUWLWDG-IINYFYTJSA-N 0 3 316.354 1.842 20 5 DDBDHN CC(COC(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000496814244 421322362 /nfs/dbraw/zinc/32/23/62/421322362.db2.gz ANGJKBMQUWLWDG-YGRLFVJLSA-N 0 3 316.354 1.842 20 5 DDBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000547756410 421363849 /nfs/dbraw/zinc/36/38/49/421363849.db2.gz NXUNFNWRTOLOIB-SNVBAGLBSA-N 0 3 309.370 1.558 20 5 DDBDHN COc1ccc(CC(=O)N2CCC[C@@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000532301079 421654130 /nfs/dbraw/zinc/65/41/30/421654130.db2.gz XIAZERHJOLOSKI-CYBMUJFWSA-N 0 3 321.377 1.699 20 5 DDBDHN C[C@@H](CS(C)(=O)=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000341682236 271167815 /nfs/dbraw/zinc/16/78/15/271167815.db2.gz IEOMAECYFJPBAJ-LBPRGKRZSA-N 0 3 314.407 1.940 20 5 DDBDHN O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H](N4CC=CC4)C3)c21 ZINC000347403042 272684058 /nfs/dbraw/zinc/68/40/58/272684058.db2.gz HYEADBHZLJTZLY-GFCCVEGCSA-N 0 3 311.345 1.989 20 5 DDBDHN CO[C@H]1C[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000451864616 274084542 /nfs/dbraw/zinc/08/45/42/274084542.db2.gz ZXEVRKUAACTEAM-KBPBESRZSA-N 0 3 321.377 1.646 20 5 DDBDHN CC(C)(C)[C@H](N)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000236683490 275530306 /nfs/dbraw/zinc/53/03/06/275530306.db2.gz YOYPJRQIDSYVMR-GXFFZTMASA-N 0 3 321.381 1.376 20 5 DDBDHN CN1CCC[C@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331426533 277076129 /nfs/dbraw/zinc/07/61/29/277076129.db2.gz XZWAFRJLCNNKKW-YPMHNXCESA-N 0 3 319.365 1.097 20 5 DDBDHN CS(=O)(=O)CC1(CNCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000414565881 278104696 /nfs/dbraw/zinc/10/46/96/278104696.db2.gz ZJWPLATYNSXVFR-UHFFFAOYSA-N 0 3 312.391 1.899 20 5 DDBDHN C[C@@H](CN1CCOCC1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338350925 278262838 /nfs/dbraw/zinc/26/28/38/278262838.db2.gz QOEIPPCGBKQGSS-AWEZNQCLSA-N 0 3 307.394 1.790 20 5 DDBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1ccnn1C ZINC000459694557 279274889 /nfs/dbraw/zinc/27/48/89/279274889.db2.gz ABFONGYPVNWSJM-OCCSQVGLSA-N 0 3 318.377 1.973 20 5 DDBDHN COc1cccc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1[N+](=O)[O-] ZINC000248837348 295286987 /nfs/dbraw/zinc/28/69/87/295286987.db2.gz OQQUABFCAZSULY-NEPJUHHUSA-N 0 3 319.361 1.912 20 5 DDBDHN COc1ccc(C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000362287193 300044618 /nfs/dbraw/zinc/04/46/18/300044618.db2.gz OKAYVEIMXGJVHB-BXUZGUMPSA-N 0 3 319.361 1.770 20 5 DDBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000363904169 300323632 /nfs/dbraw/zinc/32/36/32/300323632.db2.gz LBUQBWLFSCICAU-GWCFXTLKSA-N 0 3 319.365 1.128 20 5 DDBDHN COCc1cc([N+](=O)[O-])ccc1N1CCCN([C@@H](C)CO)CC1 ZINC000364262037 300364364 /nfs/dbraw/zinc/36/43/64/300364364.db2.gz ABKZKETVDUKCGJ-ZDUSSCGKSA-N 0 3 323.393 1.634 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000367399391 300842789 /nfs/dbraw/zinc/84/27/89/300842789.db2.gz PGLVCVIRGLYACH-LLVKDONJSA-N 0 3 320.349 1.314 20 5 DDBDHN CCO[C@H]1C[C@H](NCc2c([N+](=O)[O-])ncn2C)C12CCOCC2 ZINC000367566893 300859634 /nfs/dbraw/zinc/85/96/34/300859634.db2.gz SYVJPBYBMCAYBT-STQMWFEESA-N 0 3 324.381 1.392 20 5 DDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000367839366 300894882 /nfs/dbraw/zinc/89/48/82/300894882.db2.gz AMSJYLOTNJUMMD-ZYHUDNBSSA-N 0 3 319.365 1.271 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000370445623 301340654 /nfs/dbraw/zinc/34/06/54/301340654.db2.gz WHMUTWSFPFXMPS-BXUZGUMPSA-N 0 3 319.361 1.770 20 5 DDBDHN Cc1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000558732638 303781823 /nfs/dbraw/zinc/78/18/23/303781823.db2.gz XGKUBYYFTJYSGE-OAHLLOKOSA-N 0 3 317.345 1.828 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000366633684 307078149 /nfs/dbraw/zinc/07/81/49/307078149.db2.gz CKYCFGSEKRTCIW-GXTWGEPZSA-N 0 3 319.409 1.777 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)n1 ZINC000427252857 307302859 /nfs/dbraw/zinc/30/28/59/307302859.db2.gz ZBACYSYQQBXXMY-VXGBXAGGSA-N 0 3 323.397 1.804 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H](O)COCC1CC1 ZINC000563416475 307969523 /nfs/dbraw/zinc/96/95/23/307969523.db2.gz FZRTYOOBPYNCCC-IUODEOHRSA-N 0 3 306.362 1.959 20 5 DDBDHN CC1(C)SC[C@@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566129665 308045605 /nfs/dbraw/zinc/04/56/05/308045605.db2.gz HEYVOHIOTPECFN-GWCFXTLKSA-N 0 3 312.391 1.818 20 5 DDBDHN CC[C@H]1CN(C)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000570000419 308156198 /nfs/dbraw/zinc/15/61/98/308156198.db2.gz NSOLFDQBVDOSHG-JTQLQIEISA-N 0 3 317.349 1.637 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCC1=CCCOC1 ZINC000570836158 308181935 /nfs/dbraw/zinc/18/19/35/308181935.db2.gz BWIJSXYFWSNWHN-CYBMUJFWSA-N 0 3 308.334 1.271 20 5 DDBDHN CC1(C)C(=O)N[C@H]1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000577072842 308361148 /nfs/dbraw/zinc/36/11/48/308361148.db2.gz CVTMNIXXFVFXQE-ZDUSSCGKSA-N 0 3 321.381 1.028 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)[C@H](C)[NH3+])cc1C ZINC000381427559 325741890 /nfs/dbraw/zinc/74/18/90/325741890.db2.gz BWOJGLJRNQZPSZ-VHSXEESVSA-N 0 3 301.368 1.226 20 5 DDBDHN CC(C)(C(=O)N1CCN2CC[C@H]1C2)c1ccc([N+](=O)[O-])cc1 ZINC000597708734 490378339 /nfs/dbraw/zinc/37/83/39/490378339.db2.gz QFYPVVOBKLZYQK-AWEZNQCLSA-N 0 3 303.362 1.789 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCOC[C@@H]1C ZINC000433179288 534339849 /nfs/dbraw/zinc/33/98/49/534339849.db2.gz WEUKLLXZUAUHFM-WCQYABFASA-N 0 3 307.350 1.856 20 5 DDBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000452343613 528313580 /nfs/dbraw/zinc/31/35/80/528313580.db2.gz LQUMMNZROANWMP-NSHDSACASA-N 0 3 309.370 1.558 20 5 DDBDHN O=[N+]([O-])c1ccc(CNC2(CO)CCOCC2)cc1Cl ZINC000783625648 698861102 /nfs/dbraw/zinc/86/11/02/698861102.db2.gz AVIBIHVLTUUZJR-UHFFFAOYSA-N 0 3 300.742 1.879 20 5 DDBDHN O=[N+]([O-])c1cc(CN[C@H](CCO)C2CC2)c2c(c1)COCO2 ZINC000741258980 699825720 /nfs/dbraw/zinc/82/57/20/699825720.db2.gz UDWBNAFZXWOTAZ-CQSZACIVSA-N 0 3 308.334 1.712 20 5 DDBDHN CCN(CCO)CCNC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000769636149 701250943 /nfs/dbraw/zinc/25/09/43/701250943.db2.gz WYLPKMRAJDQSJQ-SEYXRHQNSA-N 0 3 321.377 1.429 20 5 DDBDHN Cc1ccnc(N2CCC(N3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000866212121 706650525 /nfs/dbraw/zinc/65/05/25/706650525.db2.gz IJSUNLVEQXQIEA-UHFFFAOYSA-N 0 3 319.409 1.514 20 5 DDBDHN CC(COC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)[N+](=O)[O-] ZINC000813103400 702291897 /nfs/dbraw/zinc/29/18/97/702291897.db2.gz PTTIWIMJWCXTQH-GXFFZTMASA-N 0 3 322.317 1.626 20 5 DDBDHN CC(COC(=O)c1cnc(C(=O)OC(C)(C)C)cn1)[N+](=O)[O-] ZINC000813103482 702291972 /nfs/dbraw/zinc/29/19/72/702291972.db2.gz BYYBACCLODHPFK-QMMMGPOBSA-N 0 3 311.294 1.254 20 5 DDBDHN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813106383 702292979 /nfs/dbraw/zinc/29/29/79/702292979.db2.gz BXXBBJHRLRGSAW-IAQYHMDHSA-N 0 3 320.345 1.731 20 5 DDBDHN COC(=O)c1ccc(Cl)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813105162 702293239 /nfs/dbraw/zinc/29/32/39/702293239.db2.gz WLIYBWVAYBOENG-SSDOTTSWSA-N 0 3 301.682 1.949 20 5 DDBDHN Cc1nn(C)c2nc(C3CC3)cc(C(=O)OCC(C)[N+](=O)[O-])c12 ZINC000813107588 702294451 /nfs/dbraw/zinc/29/44/51/702294451.db2.gz ORGDYERZNYHRHI-MRVPVSSYSA-N 0 3 318.333 1.976 20 5 DDBDHN CC(COC(=O)CCn1cnc2sccc2c1=O)[N+](=O)[O-] ZINC000813110789 702296889 /nfs/dbraw/zinc/29/68/89/702296889.db2.gz JKUCVXCNWDRXPW-QMMMGPOBSA-N 0 3 311.319 1.057 20 5 DDBDHN CC(COC(=O)[C@@H](c1ccccc1)N1CCCCC1=O)[N+](=O)[O-] ZINC000813111645 702296994 /nfs/dbraw/zinc/29/69/94/702296994.db2.gz JSWOHZWJJFWSKV-IUODEOHRSA-N 0 3 320.345 1.949 20 5 DDBDHN CC(COC(=O)c1cnn(C)c1Cc1ccccc1)[N+](=O)[O-] ZINC000813112122 702297393 /nfs/dbraw/zinc/29/73/93/702297393.db2.gz BUDVBEUVHBHRRD-NSHDSACASA-N 0 3 303.318 1.833 20 5 DDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1N1CCOCC1 ZINC000842801093 702776050 /nfs/dbraw/zinc/77/60/50/702776050.db2.gz BLMYIQXJTZYSDQ-LBPRGKRZSA-N 0 3 308.334 1.654 20 5 DDBDHN C[C@H](NC[C@]12COC(=O)N1CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000866519813 706719634 /nfs/dbraw/zinc/71/96/34/706719634.db2.gz WTBPJKOPTYDKGZ-NHYWBVRUSA-N 0 3 321.333 1.467 20 5 DDBDHN C[C@@H](CN1CCCC1)OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000845669071 703188484 /nfs/dbraw/zinc/18/84/84/703188484.db2.gz GBLJBRPVNPARPN-JTQLQIEISA-N 0 3 322.317 1.965 20 5 DDBDHN CNc1nccc(C(=O)NC[C@H](C)N2CCCCC2)c1[N+](=O)[O-] ZINC000847367448 703408166 /nfs/dbraw/zinc/40/81/66/703408166.db2.gz LYJNJDWTWJJXDL-NSHDSACASA-N 0 3 321.381 1.636 20 5 DDBDHN CCO[C@@H]1C[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1OC ZINC000819226940 704090415 /nfs/dbraw/zinc/09/04/15/704090415.db2.gz MANXAJQGPYJHHC-GBJTYRQASA-N 0 3 310.350 1.410 20 5 DDBDHN CC(=O)N1C[C@H]2CN(CCOc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000821323454 704390869 /nfs/dbraw/zinc/39/08/69/704390869.db2.gz YHXYZVMNILFFTL-OKILXGFUSA-N 0 3 319.361 1.384 20 5 DDBDHN COCCN1CCC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000823152737 705154024 /nfs/dbraw/zinc/15/40/24/705154024.db2.gz XDLHWFIIRJJQQB-GFCCVEGCSA-N 0 3 301.387 1.049 20 5 DDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000874845931 705200497 /nfs/dbraw/zinc/20/04/97/705200497.db2.gz YUROPSXLQFQSHA-HUUCEWRRSA-N 0 3 319.361 1.669 20 5 DDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc([N+](=O)[O-])ccc1F ZINC000826867946 705887633 /nfs/dbraw/zinc/88/76/33/705887633.db2.gz NOKKPJLUBYUDKS-LLVKDONJSA-N 0 3 307.325 1.948 20 5 DDBDHN COC[C@@H](O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872071221 707288009 /nfs/dbraw/zinc/28/80/09/707288009.db2.gz ZXMVTIIRXADMFQ-ONGXEEELSA-N 0 3 300.380 1.975 20 5 DDBDHN COc1ccc(CN2CCC3(CCNC3=O)CC2)cc1[N+](=O)[O-] ZINC000877782674 706209948 /nfs/dbraw/zinc/20/99/48/706209948.db2.gz IVYLFKUYHWMRMR-UHFFFAOYSA-N 0 3 319.361 1.706 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[C@H]1CNC(=O)C1 ZINC000926981742 712926429 /nfs/dbraw/zinc/92/64/29/712926429.db2.gz VKNSBDMXGQFSHG-WDEREUQCSA-N 0 3 307.350 1.780 20 5 DDBDHN C[C@H](NCCC1CS(=O)(=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872064706 707287170 /nfs/dbraw/zinc/28/71/70/707287170.db2.gz KFLCZQJRDIZYKY-VIFPVBQESA-N 0 3 316.354 1.819 20 5 DDBDHN Cc1ccc(CNC[C@@H](O)C[C@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000872231536 707340587 /nfs/dbraw/zinc/34/05/87/707340587.db2.gz MKLLOCLYPHDGLS-HOCLYGCPSA-N 0 3 308.378 1.905 20 5 DDBDHN COc1cc([N+](=O)[O-])cnc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000892144410 710379920 /nfs/dbraw/zinc/37/99/20/710379920.db2.gz OAHJCJKAVALSSE-JQWIXIFHSA-N 0 3 308.338 1.274 20 5 DDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC000913687342 713281419 /nfs/dbraw/zinc/28/14/19/713281419.db2.gz HBUBDNMPYZUPBQ-BYNSBNAKSA-N 0 3 301.346 1.137 20 5 DDBDHN O=C1C[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CN1CC1CC1 ZINC000905452088 712041533 /nfs/dbraw/zinc/04/15/33/712041533.db2.gz MUWRXCTVXANAGW-DZGCQCFKSA-N 0 3 319.361 1.229 20 5 DDBDHN C[C@](CO)(NC[C@@H]1CCC2(COC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000931468804 714104540 /nfs/dbraw/zinc/10/45/40/714104540.db2.gz FTCQXCMDLNPRGN-LSDHHAIUSA-N 0 3 322.361 1.340 20 5 DDBDHN COC(=O)c1cn(CCNCc2cccc([N+](=O)[O-])c2C)nn1 ZINC001202382426 748767093 /nfs/dbraw/zinc/76/70/93/748767093.db2.gz ZAJLBIRZJUKGDT-UHFFFAOYSA-N 0 3 319.321 1.071 20 5 DDBDHN CCOC(=O)c1ccc(-n2ccc([C@@H](C)N)n2)c([N+](=O)[O-])c1 ZINC001169235648 762299651 /nfs/dbraw/zinc/29/96/51/762299651.db2.gz YXCMKUINHDZDAD-SECBINFHSA-N 0 3 304.306 1.977 20 5 DDBDHN Cc1nc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001086084581 760944453 /nfs/dbraw/zinc/94/44/53/760944453.db2.gz WNAGRTWDXFILSG-LYIQGSDWSA-N 0 3 324.406 1.101 20 5 DDBDHN COC(=O)c1c(C)c([N+](=O)[O-])ccc1N[C@H](C)[C@@H]1CNCCO1 ZINC001170574646 768225497 /nfs/dbraw/zinc/22/54/97/768225497.db2.gz NGUWGOQPWWDAIS-MFKMUULPSA-N 0 3 323.349 1.479 20 5 DDBDHN CCc1nocc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001133484839 769905278 /nfs/dbraw/zinc/90/52/78/769905278.db2.gz MCNBPISUPUBWQB-UHFFFAOYSA-N 0 3 318.333 1.665 20 5 DDBDHN CN(C)C1(C(=O)NCCN(C)c2ncccc2[N+](=O)[O-])CCC1 ZINC001100195787 775801656 /nfs/dbraw/zinc/80/16/56/775801656.db2.gz ICMQKWNTYUOAOY-UHFFFAOYSA-N 0 3 321.381 1.027 20 5 DDBDHN COC(=O)[C@H]1[C@@H]2CN([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC001173235758 777065000 /nfs/dbraw/zinc/06/50/00/777065000.db2.gz ZBICMRKMGHMXAD-RABLLNBGSA-N 0 3 304.346 1.877 20 5 DDBDHN CSc1nc(Cl)nc(-n2nccc2CN)c1[N+](=O)[O-] ZINC001155124606 861755558 /nfs/dbraw/zinc/75/55/58/861755558.db2.gz BAWOLHAPBHNLRV-UHFFFAOYSA-N 0 3 300.731 1.405 20 5 DDBDHN CCOC(=O)[C@@H]1CNCCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001326992036 861780242 /nfs/dbraw/zinc/78/02/42/861780242.db2.gz XGRINEMPCWCKHE-AWEZNQCLSA-N 0 3 307.350 1.240 20 5 DDBDHN CCc1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001123857419 859443348 /nfs/dbraw/zinc/44/33/48/859443348.db2.gz VBURXIIGCOLGKT-UHFFFAOYSA-N 0 3 317.349 1.400 20 5 DDBDHN CN(C)CCN(CC1CCCCC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001142307215 861113748 /nfs/dbraw/zinc/11/37/48/861113748.db2.gz UJQVNMRPFASEGD-UHFFFAOYSA-N 0 3 323.397 1.902 20 5 DDBDHN CCOc1nc(N2C[C@H]3CCCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001157271751 863700670 /nfs/dbraw/zinc/70/06/70/863700670.db2.gz JEPFBZOOKHSRLO-YPMHNXCESA-N 0 3 306.366 1.919 20 5 DDBDHN C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1CNCCO1 ZINC001159496838 865348964 /nfs/dbraw/zinc/34/89/64/865348964.db2.gz LBQVXFPOQUORHW-TVQRCGJNSA-N 0 3 303.322 1.327 20 5 DDBDHN C[C@@H](Nc1ncnc2cc([N+](=O)[O-])ccc21)[C@H]1CNCCO1 ZINC001159496016 865348995 /nfs/dbraw/zinc/34/89/95/865348995.db2.gz IADFXAKUNOQMDD-NOZJJQNGSA-N 0 3 303.322 1.327 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1ccsn1 ZINC001160697893 866046213 /nfs/dbraw/zinc/04/62/13/866046213.db2.gz KYLQYOVRWDTWIO-UHFFFAOYSA-N 0 3 320.374 1.961 20 5 DDBDHN CN(C)C1CN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001163933958 868805011 /nfs/dbraw/zinc/80/50/11/868805011.db2.gz UIDALQZVLFGWCE-UHFFFAOYSA-N 0 3 307.741 1.942 20 5 DDBDHN COc1ccc(CC(=O)N[C@@H]2CN3CCC2CC3)cc1[N+](=O)[O-] ZINC001337410964 869475986 /nfs/dbraw/zinc/47/59/86/869475986.db2.gz UQOYNNVLTXRGSW-CYBMUJFWSA-N 0 3 319.361 1.356 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C1(C)CC=CC1 ZINC001165849004 869734971 /nfs/dbraw/zinc/73/49/71/869734971.db2.gz UWAMPTMULRFHIJ-UHFFFAOYSA-N 0 3 321.381 1.281 20 5 DDBDHN O=CN1CCC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001308722484 871519978 /nfs/dbraw/zinc/51/99/78/871519978.db2.gz LTRSBEUESYGFQR-UHFFFAOYSA-N 0 3 303.322 1.182 20 5 DDBDHN COC[C@@H](CC[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-])OC ZINC001308858407 871533596 /nfs/dbraw/zinc/53/35/96/871533596.db2.gz CYQUEUQXVDUQFR-LLVKDONJSA-N 0 3 314.338 1.450 20 5 DDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])cnc1Br ZINC001343648904 872702789 /nfs/dbraw/zinc/70/27/89/872702789.db2.gz KVERPEDHNBINFZ-SSDOTTSWSA-N 0 3 303.112 1.975 20 5 DDBDHN O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@@H]2C[NH+]3CCC2CC3)[n-]1 ZINC001227094397 882827989 /nfs/dbraw/zinc/82/79/89/882827989.db2.gz AIDVYLWNQQETDR-CYBMUJFWSA-N 0 3 316.317 1.717 20 5 DDBDHN O=C(CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)NCc1ccco1 ZINC001254578191 896511439 /nfs/dbraw/zinc/51/14/39/896511439.db2.gz KFJHWVGQFJBQGM-ZDUSSCGKSA-N 0 3 315.329 1.561 20 5 DDBDHN O=C(CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCCCC1 ZINC001254585842 896516344 /nfs/dbraw/zinc/51/63/44/896516344.db2.gz XQOXMPGUTXGKIW-AWEZNQCLSA-N 0 3 303.362 1.664 20 5 DDBDHN COC(=O)C1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254594796 896522855 /nfs/dbraw/zinc/52/28/55/896522855.db2.gz STPYTKVZHUHUTA-OAHLLOKOSA-N 0 3 304.346 1.947 20 5 DDBDHN CN1CC[C@](O)(CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413244219 529810625 /nfs/dbraw/zinc/81/06/25/529810625.db2.gz ZFBPQJSEUZTPPB-HNNXBMFYSA-N 0 3 302.334 1.622 20 5 DDBDHN CCN1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000286770071 219157233 /nfs/dbraw/zinc/15/72/33/219157233.db2.gz ZUBHWUABKQBPCV-KGLIPLIRSA-N 0 3 323.393 1.361 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN[C@@H](CCCO)c2ccccc2)c1 ZINC000179727626 186211140 /nfs/dbraw/zinc/21/11/40/186211140.db2.gz KTVKCPNOCDVZKH-HNNXBMFYSA-N 0 3 304.350 1.895 20 5 DDBDHN CCOC(=O)CC[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000564844728 304019012 /nfs/dbraw/zinc/01/90/12/304019012.db2.gz LXAPTORLNDVNBH-SMDDNHRTSA-N 0 3 310.350 1.950 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CSc3ccccc32)c1 ZINC000564854992 304019511 /nfs/dbraw/zinc/01/95/11/304019511.db2.gz VBVQXOUKRFXUJV-AAEUAGOBSA-N 0 3 320.374 1.589 20 5 DDBDHN CCN1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000029606551 352242630 /nfs/dbraw/zinc/24/26/30/352242630.db2.gz ZSYDHHAHQFAIOP-UHFFFAOYSA-N 0 3 307.350 1.574 20 5 DDBDHN C[C@H]1CCCCN1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000047143874 352483098 /nfs/dbraw/zinc/48/30/98/352483098.db2.gz ZWMQUKYXECALPP-ZDUSSCGKSA-N 0 3 321.377 1.964 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccc(Cl)c2)c1 ZINC000053156036 352643175 /nfs/dbraw/zinc/64/31/75/352643175.db2.gz DDMILKYLDNBBNK-CYBMUJFWSA-N 0 3 310.741 1.595 20 5 DDBDHN CCN1CCC(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054645651 352699791 /nfs/dbraw/zinc/69/97/91/352699791.db2.gz UMSULXYHNSFJEG-UHFFFAOYSA-N 0 3 320.393 1.921 20 5 DDBDHN CNC(=O)c1ccc(N[C@H]2CCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000069000607 353140287 /nfs/dbraw/zinc/14/02/87/353140287.db2.gz XSJKHEUVCWQUTN-LBPRGKRZSA-N 0 3 306.366 1.849 20 5 DDBDHN CCc1ccc(C(=O)NCCCN(C)CCOC)cc1[N+](=O)[O-] ZINC000174087611 198290212 /nfs/dbraw/zinc/29/02/12/198290212.db2.gz BRXHODJHYDMIGU-UHFFFAOYSA-N 0 3 323.393 1.855 20 5 DDBDHN CC[C@H](CO)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075959404 353387760 /nfs/dbraw/zinc/38/77/60/353387760.db2.gz DUJONDRQRMQHOK-OAHLLOKOSA-N 0 3 307.394 1.526 20 5 DDBDHN CC(C)(C)CCN1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000077525691 353474250 /nfs/dbraw/zinc/47/42/50/353474250.db2.gz DPLMHQJKKSJAKO-UHFFFAOYSA-N 0 3 308.386 1.525 20 5 DDBDHN C[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000105199266 353934719 /nfs/dbraw/zinc/93/47/19/353934719.db2.gz WERRSDFBIMWHMK-NSHDSACASA-N 0 3 306.366 1.877 20 5 DDBDHN CC(C)c1ccc(C(=O)N[C@@H](CO)CN(C)C)cc1[N+](=O)[O-] ZINC000588866592 354944516 /nfs/dbraw/zinc/94/45/16/354944516.db2.gz NARHVQDZGOHHHW-GFCCVEGCSA-N 0 3 309.366 1.371 20 5 DDBDHN CN(CCN(C)C1CC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589198449 354972745 /nfs/dbraw/zinc/97/27/45/354972745.db2.gz MWZPFVALOZDOKN-UHFFFAOYSA-N 0 3 321.377 1.892 20 5 DDBDHN COc1cc(CN2CC[C@H]3CN(C)C[C@H]32)c([N+](=O)[O-])cc1F ZINC000590011038 355040155 /nfs/dbraw/zinc/04/01/55/355040155.db2.gz GHOUWWSSBDIVIL-IINYFYTJSA-N 0 3 309.341 1.878 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000590446517 355099745 /nfs/dbraw/zinc/09/97/45/355099745.db2.gz WBWYIZYCOOEZEF-SMDDNHRTSA-N 0 3 323.780 1.953 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCCN(C[C@H]3CCCO3)CC2)cn1 ZINC000590685650 355146658 /nfs/dbraw/zinc/14/66/58/355146658.db2.gz HYNULAHNTKCNMM-CQSZACIVSA-N 0 3 306.366 1.681 20 5 DDBDHN CCC[C@@](C)(N)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000592276970 355551426 /nfs/dbraw/zinc/55/14/26/355551426.db2.gz KFJSFFYQWWEFEY-CQSZACIVSA-N 0 3 309.370 1.472 20 5 DDBDHN CCCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(C)C1 ZINC000592830309 355705856 /nfs/dbraw/zinc/70/58/56/355705856.db2.gz CSPWISRYVJKJMR-LBPRGKRZSA-N 0 3 309.370 1.124 20 5 DDBDHN CCCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@@H]1CCN(C)C1 ZINC000592831447 355707362 /nfs/dbraw/zinc/70/73/62/355707362.db2.gz MMQODIRDNHIOOR-CYBMUJFWSA-N 0 3 323.397 1.433 20 5 DDBDHN CN1CCC2(CC1)CN(C(=O)c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000592898341 355733919 /nfs/dbraw/zinc/73/39/19/355733919.db2.gz GHOKGMWAMIVMMS-UHFFFAOYSA-N 0 3 319.361 1.532 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594603135 356261709 /nfs/dbraw/zinc/26/17/09/356261709.db2.gz KTNIOQNXNNKBMC-QWHCGFSZSA-N 0 3 314.345 1.398 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCc2c(nnn2C)C1 ZINC000594515597 356241390 /nfs/dbraw/zinc/24/13/90/356241390.db2.gz OFGNEWXUIVHGMW-LBPRGKRZSA-N 0 3 301.350 1.679 20 5 DDBDHN CCCN(CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000080791375 192190728 /nfs/dbraw/zinc/19/07/28/192190728.db2.gz JFJKFWJHLGVCFG-UHFFFAOYSA-N 0 3 315.395 1.605 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCN1CCO[C@H](C)C1 ZINC000595012865 356372420 /nfs/dbraw/zinc/37/24/20/356372420.db2.gz PLRSZTIHVAKUHU-CHWSQXEVSA-N 0 3 323.393 1.975 20 5 DDBDHN Cc1ccc([C@@H](C)NCCN2C(=O)CN(C)C2=O)cc1[N+](=O)[O-] ZINC000595418998 356485423 /nfs/dbraw/zinc/48/54/23/356485423.db2.gz HSENMTMZHLWKDO-LLVKDONJSA-N 0 3 320.349 1.448 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](CO)C1CCC1 ZINC000595618256 356579690 /nfs/dbraw/zinc/57/96/90/356579690.db2.gz WYASGCORQUYWRO-GFCCVEGCSA-N 0 3 307.350 1.592 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3ccon3)CC2)c1 ZINC000595828808 356666782 /nfs/dbraw/zinc/66/67/82/356666782.db2.gz MXMFUEKJJDELOS-CYBMUJFWSA-N 0 3 321.337 1.020 20 5 DDBDHN COCCN1CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596088954 356768254 /nfs/dbraw/zinc/76/82/54/356768254.db2.gz CSWSIHCWJYCSJO-UHFFFAOYSA-N 0 3 322.365 1.216 20 5 DDBDHN C[NH+]1CCC([C@@H]2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC000596173831 356801551 /nfs/dbraw/zinc/80/15/51/356801551.db2.gz AJZHOTLLDBTPCO-GFCCVEGCSA-N 0 3 306.366 1.864 20 5 DDBDHN NC(=O)c1cc(N2CC[C@@H](N3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000596125023 356782565 /nfs/dbraw/zinc/78/25/65/356782565.db2.gz WXUOWAQFUVLMSP-CYBMUJFWSA-N 0 3 318.377 1.758 20 5 DDBDHN C[C@H](CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)N(C)C ZINC000596433898 356879725 /nfs/dbraw/zinc/87/97/25/356879725.db2.gz VMQLSBOPQCDUNK-SNVBAGLBSA-N 0 3 315.395 1.750 20 5 DDBDHN C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000597680586 357282304 /nfs/dbraw/zinc/28/23/04/357282304.db2.gz WYNCABKWTXFAGG-LLVKDONJSA-N 0 3 322.365 1.248 20 5 DDBDHN C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000597680586 357282307 /nfs/dbraw/zinc/28/23/07/357282307.db2.gz WYNCABKWTXFAGG-LLVKDONJSA-N 0 3 322.365 1.248 20 5 DDBDHN CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@H]1CCN(C)C1 ZINC000597946292 357394594 /nfs/dbraw/zinc/39/45/94/357394594.db2.gz NKFYEUQTEJYECG-ZDUSSCGKSA-N 0 3 323.397 1.351 20 5 DDBDHN COC(=O)c1ccnc(N[C@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000598595181 357646756 /nfs/dbraw/zinc/64/67/56/357646756.db2.gz GUVMBIIUJKWFGM-NSHDSACASA-N 0 3 320.349 1.673 20 5 DDBDHN COc1cccc(C(=O)N2CCN[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598575761 357637783 /nfs/dbraw/zinc/63/77/83/357637783.db2.gz XAXWQQNNUNTBOO-LBPRGKRZSA-N 0 3 307.350 1.673 20 5 DDBDHN Cn1c(C(=O)NC[C@@H]2CCN2C2CCCC2)ccc1[N+](=O)[O-] ZINC000600472774 358234308 /nfs/dbraw/zinc/23/43/08/358234308.db2.gz QIGCQVQDHVAZKR-LBPRGKRZSA-N 0 3 306.366 1.680 20 5 DDBDHN CCCNC(=O)CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447517676 283371210 /nfs/dbraw/zinc/37/12/10/283371210.db2.gz LWZUVJXAYLCMCZ-VXGBXAGGSA-N 0 3 309.370 1.391 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCC[C@H]1CCO ZINC000348148540 283390903 /nfs/dbraw/zinc/39/09/03/283390903.db2.gz IRLIDDZPLAYBJJ-QWHCGFSZSA-N 0 3 321.377 1.982 20 5 DDBDHN C[C@@H]1OCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602768333 359177002 /nfs/dbraw/zinc/17/70/02/359177002.db2.gz UHDMBIHWGHSDAN-QWHCGFSZSA-N 0 3 306.366 1.537 20 5 DDBDHN COCC[C@@]1(NCCOc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000618550997 363669277 /nfs/dbraw/zinc/66/92/77/363669277.db2.gz JQGTUIVRMXPDJY-OAHLLOKOSA-N 0 3 310.350 1.759 20 5 DDBDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000189412223 200396674 /nfs/dbraw/zinc/39/66/74/200396674.db2.gz OQYCCHPAVWFUGG-ZDUSSCGKSA-N 0 3 307.394 1.872 20 5 DDBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000359018716 299307692 /nfs/dbraw/zinc/30/76/92/299307692.db2.gz MVIHXQXZNOQYSK-VXGBXAGGSA-N 0 3 321.381 1.796 20 5 DDBDHN COc1ccc(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000609383095 360302798 /nfs/dbraw/zinc/30/27/98/360302798.db2.gz IZNVBMPHZPZDAV-CYBMUJFWSA-N 0 3 319.361 1.818 20 5 DDBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(CC2CC2)C1 ZINC000609399729 360304312 /nfs/dbraw/zinc/30/43/12/360304312.db2.gz MLENLWSTPZLRND-AWEZNQCLSA-N 0 3 318.377 1.878 20 5 DDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611413830 360714664 /nfs/dbraw/zinc/71/46/64/360714664.db2.gz ZDCIRLQOTITMGJ-LLVKDONJSA-N 0 3 324.406 1.399 20 5 DDBDHN O=C1NC(=O)C2(CCC(NCc3ccccc3[N+](=O)[O-])CC2)N1 ZINC000272014230 209383698 /nfs/dbraw/zinc/38/36/98/209383698.db2.gz KIBNORKEVXZCFC-UHFFFAOYSA-N 0 3 318.333 1.205 20 5 DDBDHN C[C@@H](N[C@@H](C)Cn1cccn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000264836662 204195978 /nfs/dbraw/zinc/19/59/78/204195978.db2.gz FHIFJVCFYWSKBH-NWDGAFQWSA-N 0 3 317.349 1.797 20 5 DDBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC(CO)CO)s1 ZINC000266171508 205157100 /nfs/dbraw/zinc/15/71/00/205157100.db2.gz RFDLJLNXZVXNEJ-UHFFFAOYSA-N 0 3 308.359 1.766 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2CCN(C[C@@H]3CCOC3)CC2)c(F)c1 ZINC000267401199 206039657 /nfs/dbraw/zinc/03/96/57/206039657.db2.gz FZWVQPYNMNKHJZ-ZDUSSCGKSA-N 0 3 323.368 1.888 20 5 DDBDHN C[C@@H](O)CN1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000105824041 194137660 /nfs/dbraw/zinc/13/76/60/194137660.db2.gz VOFRVNBOCMZUAN-ZIAGYGMSSA-N 0 3 307.394 1.524 20 5 DDBDHN COC(=O)[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000339226008 250351990 /nfs/dbraw/zinc/35/19/90/250351990.db2.gz DLMMVQVNBYOBMI-NSHDSACASA-N 0 3 321.333 1.418 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CC(N)=O)C(C)C ZINC000063483185 184282897 /nfs/dbraw/zinc/28/28/97/184282897.db2.gz LEYDHUZLAGXUOH-UHFFFAOYSA-N 0 3 322.365 1.428 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C1CC1)[C@H]1CNCCO1 ZINC000422718200 533222191 /nfs/dbraw/zinc/22/21/91/533222191.db2.gz PIEMKJNPXZSSRX-CVEARBPZSA-N 0 3 321.377 1.460 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](O)Cn1ccnn1 ZINC000569081579 304334641 /nfs/dbraw/zinc/33/46/41/304334641.db2.gz CLZLJIVIVAWMJW-DGCLKSJQSA-N 0 3 305.338 1.206 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(C)(C)N(C)C ZINC000360936533 299777048 /nfs/dbraw/zinc/77/70/48/299777048.db2.gz QBXQEPQOFVVOJC-UHFFFAOYSA-N 0 3 322.365 1.298 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000067298489 407270388 /nfs/dbraw/zinc/27/03/88/407270388.db2.gz QHBPDEFNJHUYKR-NSHDSACASA-N 0 3 307.350 1.818 20 5 DDBDHN CN(CCN1CCCC1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000103116560 407331698 /nfs/dbraw/zinc/33/16/98/407331698.db2.gz IHMITUXINBYAIE-UHFFFAOYSA-N 0 3 309.370 1.081 20 5 DDBDHN Cc1nn(C)c(C(=O)NCCN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000098104769 407306145 /nfs/dbraw/zinc/30/61/45/407306145.db2.gz XPICEYVYJPLXJZ-SNVBAGLBSA-N 0 3 309.370 1.098 20 5 DDBDHN CN(C)CCN(CCN(C)C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000103212113 407333939 /nfs/dbraw/zinc/33/39/39/407333939.db2.gz OGDRBDWVJHZASJ-UHFFFAOYSA-N 0 3 308.382 1.160 20 5 DDBDHN C[C@@H]1CCCN(CCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000107632171 407377488 /nfs/dbraw/zinc/37/74/88/407377488.db2.gz NBTYALDRBNCRQO-CYBMUJFWSA-N 0 3 321.377 1.822 20 5 DDBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])CCN1CCOCC1 ZINC000255558765 407473107 /nfs/dbraw/zinc/47/31/07/407473107.db2.gz WDAYHAZRIKAWCK-XQRVVYSFSA-N 0 3 305.378 1.872 20 5 DDBDHN CCN(C)CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000112925727 407447222 /nfs/dbraw/zinc/44/72/22/407447222.db2.gz OJHYPUBBUMRDPW-UHFFFAOYSA-N 0 3 308.382 1.855 20 5 DDBDHN CC(C)N(CCN(C)C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000151855308 407513024 /nfs/dbraw/zinc/51/30/24/407513024.db2.gz ZHPWVZXWNCZKHT-UHFFFAOYSA-N 0 3 309.366 1.772 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H](N3CCCC3)C2)n1 ZINC000271399401 407667116 /nfs/dbraw/zinc/66/71/16/407667116.db2.gz MHXREANGCIMDDF-GFCCVEGCSA-N 0 3 321.381 1.419 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000237748147 407842590 /nfs/dbraw/zinc/84/25/90/407842590.db2.gz JTBWQQNVVMSLQG-LLVKDONJSA-N 0 3 313.379 1.181 20 5 DDBDHN CCN(CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000118121041 407894123 /nfs/dbraw/zinc/89/41/23/407894123.db2.gz CSHTZRZYACTLHS-UHFFFAOYSA-N 0 3 320.349 1.134 20 5 DDBDHN CCC[C@](C)(N)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000262720943 407908675 /nfs/dbraw/zinc/90/86/75/407908675.db2.gz ZOXFJDXJUBNQLO-NHYWBVRUSA-N 0 3 321.381 1.520 20 5 DDBDHN COc1cc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000268162937 407923427 /nfs/dbraw/zinc/92/34/27/407923427.db2.gz ILSBHFSSDNCDSJ-MFKMUULPSA-N 0 3 319.361 1.816 20 5 DDBDHN Cc1c(NC(=O)c2n[nH]c3c2CNCC3)cccc1[N+](=O)[O-] ZINC000188200035 407923808 /nfs/dbraw/zinc/92/38/08/407923808.db2.gz NUBBIFHHMQVRDT-UHFFFAOYSA-N 0 3 301.306 1.524 20 5 DDBDHN C[C@@]1(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000273089672 408052266 /nfs/dbraw/zinc/05/22/66/408052266.db2.gz SGROLSBFJMCHEM-GDBMZVCRSA-N 0 3 319.361 1.741 20 5 DDBDHN C[C@@H](c1cccc(O)c1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245452279 407988175 /nfs/dbraw/zinc/98/81/75/407988175.db2.gz QFZOFCAXHORIPK-XHDPSFHLSA-N 0 3 320.349 1.551 20 5 DDBDHN Cc1nn(CCC(=O)N2C[C@H](C)NC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000272604627 408004773 /nfs/dbraw/zinc/00/47/73/408004773.db2.gz RJKNJPLYXNFJSL-UWVGGRQHSA-N 0 3 309.370 1.007 20 5 DDBDHN CN(C)C1CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000273187473 408097794 /nfs/dbraw/zinc/09/77/94/408097794.db2.gz CCEZBVWTVQGZBM-UHFFFAOYSA-N 0 3 306.322 1.302 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)CC1 ZINC000122188160 408264135 /nfs/dbraw/zinc/26/41/35/408264135.db2.gz FHFLWMBJHQWIOK-UHFFFAOYSA-N 0 3 306.366 1.479 20 5 DDBDHN CCCNC(=O)[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221237 408314604 /nfs/dbraw/zinc/31/46/04/408314604.db2.gz SHWWDMWFIMONNO-LBPRGKRZSA-N 0 3 309.370 1.030 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N(C)C[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000269394927 408294229 /nfs/dbraw/zinc/29/42/29/408294229.db2.gz MRUDOKGZYJESRZ-NSHDSACASA-N 0 3 323.397 1.855 20 5 DDBDHN CN(C)[C@@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000264005788 408343513 /nfs/dbraw/zinc/34/35/13/408343513.db2.gz IWRBFDFKUWHPOV-CQSZACIVSA-N 0 3 316.361 1.712 20 5 DDBDHN O=C([C@H]1CCCCN1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169186320 162184072 /nfs/dbraw/zinc/18/40/72/162184072.db2.gz BSVKOPACJLWSRI-DGCLKSJQSA-N 0 3 319.365 1.145 20 5 DDBDHN COCCN1CCC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173541947 162347468 /nfs/dbraw/zinc/34/74/68/162347468.db2.gz GJWRKIAQVCEZEK-OAHLLOKOSA-N 0 3 321.377 1.364 20 5 DDBDHN COCCOCCOCCCNCc1ccccc1[N+](=O)[O-] ZINC000274419850 408399370 /nfs/dbraw/zinc/39/93/70/408399370.db2.gz QGHHIBCGUSKKRD-UHFFFAOYSA-N 0 3 312.366 1.754 20 5 DDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176714154 408422110 /nfs/dbraw/zinc/42/21/10/408422110.db2.gz RSEYAPWAGBUPLH-NSHDSACASA-N 0 3 306.366 1.591 20 5 DDBDHN Cc1nn(CCC(=O)N2CCC[C@H](N(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000264464610 408501549 /nfs/dbraw/zinc/50/15/49/408501549.db2.gz ZIKRCJSBJXZGIR-ZDUSSCGKSA-N 0 3 323.397 1.351 20 5 DDBDHN [NH3+]C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000192027890 408531507 /nfs/dbraw/zinc/53/15/07/408531507.db2.gz JPSUJEIWACZTJA-NSHDSACASA-N 0 3 313.379 1.391 20 5 DDBDHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191647029 408464245 /nfs/dbraw/zinc/46/42/45/408464245.db2.gz XXCHNHFZLGYWLR-NWDGAFQWSA-N 0 3 321.381 1.510 20 5 DDBDHN CCc1n[nH]c(C(=O)N(C)C[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000265202226 408578864 /nfs/dbraw/zinc/57/88/64/408578864.db2.gz REIWBFUYTHTKIP-SNVBAGLBSA-N 0 3 309.370 1.294 20 5 DDBDHN COCCN1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000265443820 408654878 /nfs/dbraw/zinc/65/48/78/408654878.db2.gz ZZLILLFOZUOFOH-GFCCVEGCSA-N 0 3 322.365 1.745 20 5 DDBDHN CC[C@H]1CN(CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1O ZINC000270855085 408710176 /nfs/dbraw/zinc/71/01/76/408710176.db2.gz HGYXFZWRMWGFDJ-FZMZJTMJSA-N 0 3 310.350 1.685 20 5 DDBDHN CO[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000251655667 408784248 /nfs/dbraw/zinc/78/42/48/408784248.db2.gz HTRFWMIFWMOBLC-XJKCOSOUSA-N 0 3 324.377 1.691 20 5 DDBDHN CCOC[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000286073077 408918263 /nfs/dbraw/zinc/91/82/63/408918263.db2.gz JRSVCAYAWYVUKT-CYBMUJFWSA-N 0 3 309.366 1.844 20 5 DDBDHN CN1CC[C@@]2(CCN(C(=O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292111185 408981857 /nfs/dbraw/zinc/98/18/57/408981857.db2.gz FVUZRMLNNBOQGI-MRXNPFEDSA-N 0 3 319.361 1.528 20 5 DDBDHN COC(=O)c1cc(C)nc(NC[C@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC000287831232 409099654 /nfs/dbraw/zinc/09/96/54/409099654.db2.gz KSLNIWWPIUBWHD-JTQLQIEISA-N 0 3 322.365 1.979 20 5 DDBDHN CN(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(F)cc1 ZINC000287965089 409123363 /nfs/dbraw/zinc/12/33/63/409123363.db2.gz ARFNSYIFUNCUML-GFCCVEGCSA-N 0 3 321.312 1.490 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(C)CC2)c1 ZINC000283423855 409154831 /nfs/dbraw/zinc/15/48/31/409154831.db2.gz IVCGYSCWZIEFOY-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN CCC(=O)c1ccc(NC[C@](C)(O)CN(C)C)c([N+](=O)[O-])c1 ZINC000280654121 409396428 /nfs/dbraw/zinc/39/64/28/409396428.db2.gz FVCAFTNNMWTLMY-HNNXBMFYSA-N 0 3 309.366 1.912 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCOC1(C)C ZINC000295166916 409354560 /nfs/dbraw/zinc/35/45/60/409354560.db2.gz GALSIHFCGARVGU-CYBMUJFWSA-N 0 3 307.350 1.999 20 5 DDBDHN Cc1nn(C)c(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000408130123 164236892 /nfs/dbraw/zinc/23/68/92/164236892.db2.gz SVISMLNEOMLWSX-MWLCHTKSSA-N 0 3 309.370 1.191 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C[C@@H]21 ZINC000408463578 164339381 /nfs/dbraw/zinc/33/93/81/164339381.db2.gz GJEABXPGXXOGLW-BMIGLBTASA-N 0 3 314.345 1.852 20 5 DDBDHN COc1c(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331520068 409593783 /nfs/dbraw/zinc/59/37/83/409593783.db2.gz NVPNIHAVQHHCIW-GXFFZTMASA-N 0 3 319.361 1.816 20 5 DDBDHN C[C@@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000320698814 409906752 /nfs/dbraw/zinc/90/67/52/409906752.db2.gz RLRYJDLNEGYYAV-SFYZADRCSA-N 0 3 321.786 1.652 20 5 DDBDHN CN1CCN(CCC(C)(C)NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000354511784 409907704 /nfs/dbraw/zinc/90/77/04/409907704.db2.gz NSVFNPHUOUIKOL-UHFFFAOYSA-N 0 3 323.397 1.069 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN(C)C1(CCO)CCOCC1 ZINC000355009683 410237272 /nfs/dbraw/zinc/23/72/72/410237272.db2.gz HSUZVYARSVKLDF-UHFFFAOYSA-N 0 3 324.377 1.967 20 5 DDBDHN CCN(CCO)CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000346966864 410283086 /nfs/dbraw/zinc/28/30/86/410283086.db2.gz GWYOWFGTSMCFKD-UHFFFAOYSA-N 0 3 323.393 1.303 20 5 DDBDHN COc1ccc(CNC(=O)N[C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000351780930 410231289 /nfs/dbraw/zinc/23/12/89/410231289.db2.gz BVVOHEOBDYYLOI-SNVBAGLBSA-N 0 3 310.354 1.353 20 5 DDBDHN NC(=O)CC[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000339708510 410406657 /nfs/dbraw/zinc/40/66/57/410406657.db2.gz MLPXYUYANZHDBX-CYBMUJFWSA-N 0 3 321.377 1.951 20 5 DDBDHN C[C@H](CC[NH3+])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000336813459 410635083 /nfs/dbraw/zinc/63/50/83/410635083.db2.gz CNQGBVNAQGVBFB-SSDOTTSWSA-N 0 3 307.759 1.264 20 5 DDBDHN CS[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000271628938 209075468 /nfs/dbraw/zinc/07/54/68/209075468.db2.gz NINLTHNWWAMWJU-QWHCGFSZSA-N 0 3 324.406 1.176 20 5 DDBDHN CN(C)CCNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000133728520 196332565 /nfs/dbraw/zinc/33/25/65/196332565.db2.gz XKZPGJFNCVNPJF-UHFFFAOYSA-N 0 3 308.382 1.778 20 5 DDBDHN O=c1cc2c(n[nH]1)CCN(CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000360416683 418429179 /nfs/dbraw/zinc/42/91/79/418429179.db2.gz LEUPJUBUZCQEKH-UHFFFAOYSA-N 0 3 300.318 1.691 20 5 DDBDHN Cn1cc(N2CC[C@H](NCc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000374247649 418510510 /nfs/dbraw/zinc/51/05/10/418510510.db2.gz MPEYDMIHMDAUNZ-ZDUSSCGKSA-N 0 3 301.350 1.697 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)CCCN1CCN(C)CC1 ZINC000360902997 418543693 /nfs/dbraw/zinc/54/36/93/418543693.db2.gz ANPKSZIDFPIOIX-UHFFFAOYSA-N 0 3 324.429 1.193 20 5 DDBDHN C[C@H]1[NH2+]CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000193451641 222155578 /nfs/dbraw/zinc/15/55/78/222155578.db2.gz DQWSKYONVCYBDG-SFYZADRCSA-N 0 3 305.381 1.075 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000371544174 418799477 /nfs/dbraw/zinc/79/94/77/418799477.db2.gz DPLVYQAWWQXUDN-ZFWWWQNUSA-N 0 3 303.362 1.690 20 5 DDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000371869266 418822103 /nfs/dbraw/zinc/82/21/03/418822103.db2.gz FVSUALXLVNJQPD-NSHDSACASA-N 0 3 319.365 1.272 20 5 DDBDHN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCCN1C ZINC000421003172 419442035 /nfs/dbraw/zinc/44/20/35/419442035.db2.gz MWACXAADCICEON-CQSZACIVSA-N 0 3 321.377 1.987 20 5 DDBDHN CON1CCC(N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000421209701 419522133 /nfs/dbraw/zinc/52/21/33/419522133.db2.gz OVVCUGBBZPYYBS-NSHDSACASA-N 0 3 322.365 1.537 20 5 DDBDHN CCN(Cc1occc1C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000412024956 419566842 /nfs/dbraw/zinc/56/68/42/419566842.db2.gz GUWXLXFFMFKWEU-ZDUSSCGKSA-N 0 3 308.338 1.576 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C[C@@H]1CCCN1C ZINC000421704626 419685967 /nfs/dbraw/zinc/68/59/67/419685967.db2.gz PHLOZSZMLBFASN-LBPRGKRZSA-N 0 3 309.370 1.042 20 5 DDBDHN CCN(CCO)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421866782 419750633 /nfs/dbraw/zinc/75/06/33/419750633.db2.gz OHYNEDHQJUIZLZ-UHFFFAOYSA-N 0 3 309.366 1.256 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)CCN(C)C ZINC000422095555 419841925 /nfs/dbraw/zinc/84/19/25/419841925.db2.gz JMWBUPRMZGCDNK-MRXNPFEDSA-N 0 3 323.393 1.644 20 5 DDBDHN CC1(C)CCCN(CCNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000443966225 420754003 /nfs/dbraw/zinc/75/40/03/420754003.db2.gz SMQZZPDZDTUZHF-UHFFFAOYSA-N 0 3 318.381 2.171 20 5 DDBDHN CCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455669591 421051386 /nfs/dbraw/zinc/05/13/86/421051386.db2.gz VFJDORFYKOKZIO-UHFFFAOYSA-N 0 3 309.370 1.493 20 5 DDBDHN CC(COC(=O)[C@@H](F)C1CN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000497165032 421375773 /nfs/dbraw/zinc/37/57/73/421375773.db2.gz KHCZVFZRYPVVNF-WPRPVWTQSA-N 0 3 320.317 1.400 20 5 DDBDHN C[C@H](O)CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000530623648 421610292 /nfs/dbraw/zinc/61/02/92/421610292.db2.gz WXFSGVUURYPOLB-ZDUSSCGKSA-N 0 3 304.350 1.674 20 5 DDBDHN C[C@@H](O)CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000530623645 421610734 /nfs/dbraw/zinc/61/07/34/421610734.db2.gz WXFSGVUURYPOLB-CYBMUJFWSA-N 0 3 304.350 1.674 20 5 DDBDHN Nc1nccc(C(=O)NC2CCN(C3CCC3)CC2)c1[N+](=O)[O-] ZINC000568663251 421621330 /nfs/dbraw/zinc/62/13/30/421621330.db2.gz WXIGXDTWKIFDKK-UHFFFAOYSA-N 0 3 319.365 1.319 20 5 DDBDHN COc1cc(F)cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000519825249 421732883 /nfs/dbraw/zinc/73/28/83/421732883.db2.gz UNCGKHNQGRVHFC-ZDUSSCGKSA-N 0 3 324.312 1.090 20 5 DDBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CCN(C2CC2)C1 ZINC000581232821 421926855 /nfs/dbraw/zinc/92/68/55/421926855.db2.gz RTOWWDVZVMSBLY-LLVKDONJSA-N 0 3 306.366 1.490 20 5 DDBDHN CCN(C(=O)c1ccnc(NC)c1[N+](=O)[O-])[C@H]1CCN(CC)C1 ZINC000598038607 422393364 /nfs/dbraw/zinc/39/33/64/422393364.db2.gz FCMPLJQRGHXUOY-NSHDSACASA-N 0 3 321.381 1.588 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](c2cccnc2)C1 ZINC000578765183 422643575 /nfs/dbraw/zinc/64/35/75/422643575.db2.gz LFHJZLNFMFEOMD-AWEZNQCLSA-N 0 3 314.345 1.641 20 5 DDBDHN C[C@H](CN1CCCCC1)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341548206 271114914 /nfs/dbraw/zinc/11/49/14/271114914.db2.gz NBKJRDFWMWFBHI-LLVKDONJSA-N 0 3 306.366 1.980 20 5 DDBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000344617089 272071108 /nfs/dbraw/zinc/07/11/08/272071108.db2.gz QDNTVTJHJKHVBL-NSHDSACASA-N 0 3 309.370 1.028 20 5 DDBDHN CCOc1cc(N2CCCN([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000345044511 272162139 /nfs/dbraw/zinc/16/21/39/272162139.db2.gz QCRSMDNZSQHBJY-ZDUSSCGKSA-N 0 3 323.393 1.886 20 5 DDBDHN CC[C@H](N[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(=O)NC ZINC000453408661 276639050 /nfs/dbraw/zinc/63/90/50/276639050.db2.gz QQJWYKVQPJGTJV-TUAOUCFPSA-N 0 3 309.370 1.389 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)C[NH3+])cc1C ZINC000447245748 278744211 /nfs/dbraw/zinc/74/42/11/278744211.db2.gz NRBZMAHECZUKOL-MRVPVSSYSA-N 0 3 301.368 1.085 20 5 DDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408121485 279087390 /nfs/dbraw/zinc/08/73/90/279087390.db2.gz ODBQZITVONVRHH-MNOVXSKESA-N 0 3 307.354 1.027 20 5 DDBDHN CCN(CC)CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135537220 281595393 /nfs/dbraw/zinc/59/53/93/281595393.db2.gz MXKWPCZGFMUDBT-GFCCVEGCSA-N 0 3 321.381 1.344 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000367461498 300848686 /nfs/dbraw/zinc/84/86/86/300848686.db2.gz AGFZYXPUTXMSJT-BBRMVZONSA-N 0 3 319.361 1.750 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@H]2CCN(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000369136219 301135648 /nfs/dbraw/zinc/13/56/48/301135648.db2.gz ARLBGOKATIXBSH-JTQLQIEISA-N 0 3 321.381 1.627 20 5 DDBDHN CN1CCC[C@H](N2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)C1 ZINC000369212340 301146314 /nfs/dbraw/zinc/14/63/14/301146314.db2.gz DBYCYRXNNFDKPX-AWEZNQCLSA-N 0 3 319.409 1.393 20 5 DDBDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000378310170 302310356 /nfs/dbraw/zinc/31/03/56/302310356.db2.gz UHKFMKLURDJEOO-NWDGAFQWSA-N 0 3 315.333 1.146 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)C[NH3+])c1C ZINC000447241661 302395508 /nfs/dbraw/zinc/39/55/08/302395508.db2.gz BNEXOIHXBYQNPN-MRVPVSSYSA-N 0 3 301.368 1.085 20 5 DDBDHN CCN(CC)C(=O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000358272867 306937261 /nfs/dbraw/zinc/93/72/61/306937261.db2.gz JIVYRRYHIYZQSA-UHFFFAOYSA-N 0 3 323.397 1.372 20 5 DDBDHN CN(C(=O)CN[C@H]1CCO[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000365192359 307061503 /nfs/dbraw/zinc/06/15/03/307061503.db2.gz QDGGGWRJKDTQFJ-GOEBONIOSA-N 0 3 319.361 1.715 20 5 DDBDHN COC(=O)N1CC(N[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000496075710 307325233 /nfs/dbraw/zinc/32/52/33/307325233.db2.gz HWBHWEQLOOFITM-RYUDHWBXSA-N 0 3 323.353 1.315 20 5 DDBDHN O=C1NCC[C@H]1CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000575192654 308273324 /nfs/dbraw/zinc/27/33/24/308273324.db2.gz JMIKJCRHCFVURF-RYUDHWBXSA-N 0 3 319.365 1.002 20 5 DDBDHN CNc1ccc(C(=O)NC2(CN(C)C)CCC2)cc1[N+](=O)[O-] ZINC000393479965 337092684 /nfs/dbraw/zinc/09/26/84/337092684.db2.gz KCHZRIXOCYMCBF-UHFFFAOYSA-N 0 3 306.366 1.851 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000584533395 337357526 /nfs/dbraw/zinc/35/75/26/337357526.db2.gz YTXVNSDPVIBTEI-ZFWWWQNUSA-N 0 3 320.393 1.663 20 5 DDBDHN CC(C)OC[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000493796297 484239242 /nfs/dbraw/zinc/23/92/42/484239242.db2.gz OTSKTBCHCUMZAA-GXTWGEPZSA-N 0 3 324.381 1.262 20 5 DDBDHN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCOCC1 ZINC000179838933 490687924 /nfs/dbraw/zinc/68/79/24/490687924.db2.gz UODRHQJXUKPIRM-SNVBAGLBSA-N 0 3 307.350 1.598 20 5 DDBDHN CCCNC(=O)[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157855424 519895982 /nfs/dbraw/zinc/89/59/82/519895982.db2.gz URGHYPCOUJIGRW-LBPRGKRZSA-N 0 3 309.370 1.030 20 5 DDBDHN O=C(CNc1ccc([N+](=O)[O-])cc1)NCCN1CCCCCC1 ZINC000431508389 534600451 /nfs/dbraw/zinc/60/04/51/534600451.db2.gz YJFJLHJYMGUKSJ-UHFFFAOYSA-N 0 3 320.393 1.999 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN(CCCO)C1 ZINC000295916191 534704474 /nfs/dbraw/zinc/70/44/74/534704474.db2.gz CQVFZMVNUGKNOT-AWEZNQCLSA-N 0 3 321.377 1.100 20 5 DDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@H](O)[C@@H](CO)C1 ZINC000414564655 527501746 /nfs/dbraw/zinc/50/17/46/527501746.db2.gz XVSSKKCMRHFVMZ-SOKLDJIMSA-N 0 3 306.362 1.673 20 5 DDBDHN CCN1CCC(NC(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000299470974 528977504 /nfs/dbraw/zinc/97/75/04/528977504.db2.gz AOFKIUWWBXXKTR-UHFFFAOYSA-N 0 3 309.370 1.090 20 5 DDBDHN CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735856149 598298646 /nfs/dbraw/zinc/29/86/46/598298646.db2.gz FMMFDZNRFPLYAI-UHFFFAOYSA-N 0 3 305.342 1.527 20 5 DDBDHN CC(C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735856149 598298648 /nfs/dbraw/zinc/29/86/48/598298648.db2.gz FMMFDZNRFPLYAI-UHFFFAOYSA-N 0 3 305.342 1.527 20 5 DDBDHN CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735856149 598298650 /nfs/dbraw/zinc/29/86/50/598298650.db2.gz FMMFDZNRFPLYAI-UHFFFAOYSA-N 0 3 305.342 1.527 20 5 DDBDHN CC(C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735856149 598298652 /nfs/dbraw/zinc/29/86/52/598298652.db2.gz FMMFDZNRFPLYAI-UHFFFAOYSA-N 0 3 305.342 1.527 20 5 DDBDHN NC(=O)CC[C@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583016 698121732 /nfs/dbraw/zinc/12/17/32/698121732.db2.gz YNVFMJQMUPIYEW-IUODEOHRSA-N 0 3 321.377 1.606 20 5 DDBDHN C[C@@H]1OCC[C@H]1N(CCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796575371 699939842 /nfs/dbraw/zinc/93/98/42/699939842.db2.gz OILNKEAFOLEXGZ-NILFDRSVSA-N 0 3 310.350 1.100 20 5 DDBDHN CN1CC[C@](O)(CNc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000762816617 700908221 /nfs/dbraw/zinc/90/82/21/700908221.db2.gz RUNVJAVKSHJRHW-ZDUSSCGKSA-N 0 3 308.363 1.683 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](CO)C1CC1 ZINC000763064217 700923571 /nfs/dbraw/zinc/92/35/71/700923571.db2.gz DTFUYKOBNATIQN-RNCFNFMXSA-N 0 3 323.349 1.291 20 5 DDBDHN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804396400 701186039 /nfs/dbraw/zinc/18/60/39/701186039.db2.gz HFJVLQHZTHVVKU-WDEREUQCSA-N 0 3 322.321 1.778 20 5 DDBDHN CCOc1ccc(NC(=O)CN[C@@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000771814753 701332561 /nfs/dbraw/zinc/33/25/61/701332561.db2.gz UBMKZHZVRFHSCR-ZDUSSCGKSA-N 0 3 323.349 1.293 20 5 DDBDHN CO[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@](C)(CO)C1 ZINC000879262751 706633421 /nfs/dbraw/zinc/63/34/21/706633421.db2.gz ZIIGSPRBXDKZJZ-SOUVJXGZSA-N 0 3 310.350 1.100 20 5 DDBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)[N+](=O)[O-] ZINC000813100117 702290292 /nfs/dbraw/zinc/29/02/92/702290292.db2.gz NDPLLZJLFCYPOI-DGCLKSJQSA-N 0 3 321.333 1.142 20 5 DDBDHN CC(COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1)[N+](=O)[O-] ZINC000813104416 702292044 /nfs/dbraw/zinc/29/20/44/702292044.db2.gz CGFDPHYQMXUJHE-GXSJLCMTSA-N 0 3 316.354 1.888 20 5 DDBDHN COCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccccc1 ZINC000813108017 702293990 /nfs/dbraw/zinc/29/39/90/702293990.db2.gz TWAQHIAUOHKGGF-NSHDSACASA-N 0 3 319.317 1.841 20 5 DDBDHN Cc1ccc(CN2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813106631 702294213 /nfs/dbraw/zinc/29/42/13/702294213.db2.gz FXUKSBHFRBZBIR-GXTWGEPZSA-N 0 3 320.345 1.552 20 5 DDBDHN Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110310 702296377 /nfs/dbraw/zinc/29/63/77/702296377.db2.gz XGKJTWPNKFVCIS-VIFPVBQESA-N 0 3 301.320 1.221 20 5 DDBDHN CC(COC(=O)c1ccc(-n2cnnn2)cc1Cl)[N+](=O)[O-] ZINC000813111090 702297477 /nfs/dbraw/zinc/29/74/77/702297477.db2.gz CECQOUVNYURRDN-SSDOTTSWSA-N 0 3 311.685 1.138 20 5 DDBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1NS(C)(=O)=O ZINC000813113590 702298135 /nfs/dbraw/zinc/29/81/35/702298135.db2.gz GSGMEVIJKIAUST-VIFPVBQESA-N 0 3 316.335 1.189 20 5 DDBDHN Cc1ccc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813114480 702299496 /nfs/dbraw/zinc/29/94/96/702299496.db2.gz CGJSNNZGIRFCNH-RYUDHWBXSA-N 0 3 306.318 1.556 20 5 DDBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H](CO)c1ccnn1C ZINC000866394814 706689042 /nfs/dbraw/zinc/68/90/42/706689042.db2.gz GJKQLXLPUJYELI-GWCFXTLKSA-N 0 3 322.340 1.722 20 5 DDBDHN Cc1cc(Cc2noc(C[C@H]3CNCCO3)n2)ccc1[N+](=O)[O-] ZINC000843192712 702838568 /nfs/dbraw/zinc/83/85/68/702838568.db2.gz XUPOGRIJHTVORF-LBPRGKRZSA-N 0 3 318.333 1.408 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866540343 706724614 /nfs/dbraw/zinc/72/46/14/706724614.db2.gz LYAKAWKTDUMUGS-QMTHXVAHSA-N 0 3 321.352 1.875 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H]2CCCn3nccc32)cc1 ZINC000850432430 703730978 /nfs/dbraw/zinc/73/09/78/703730978.db2.gz BQOHYKHQMFZVDD-DZGCQCFKSA-N 0 3 302.334 1.949 20 5 DDBDHN CC1(C)OC[C@H](CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000851843154 703868650 /nfs/dbraw/zinc/86/86/50/703868650.db2.gz ATWWYMWDOLCOQL-AAEUAGOBSA-N 0 3 322.365 1.628 20 5 DDBDHN CC(COC(=O)c1c(C(F)F)nc2n1CCCC2)[N+](=O)[O-] ZINC000870378409 704015185 /nfs/dbraw/zinc/01/51/85/704015185.db2.gz WLEHTFIVJISTTF-ZETCQYMHSA-N 0 3 303.265 1.979 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CO)CN1CCCC1 ZINC000819842594 704177743 /nfs/dbraw/zinc/17/77/43/704177743.db2.gz BMCYRGQKGSSQAV-GFCCVEGCSA-N 0 3 307.350 1.090 20 5 DDBDHN COCCN1CCC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000823152738 705154091 /nfs/dbraw/zinc/15/40/91/705154091.db2.gz XDLHWFIIRJJQQB-LBPRGKRZSA-N 0 3 301.387 1.049 20 5 DDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000874828750 705187485 /nfs/dbraw/zinc/18/74/85/705187485.db2.gz HTYIKJFPUPURPI-OLZOCXBDSA-N 0 3 322.340 1.625 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874836391 705193896 /nfs/dbraw/zinc/19/38/96/705193896.db2.gz CCQQCIVJAKQEKN-RYUDHWBXSA-N 0 3 321.381 1.579 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874836391 705193901 /nfs/dbraw/zinc/19/39/01/705193901.db2.gz CCQQCIVJAKQEKN-RYUDHWBXSA-N 0 3 321.381 1.579 20 5 DDBDHN O=C(NCCN1CCCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825090949 705598225 /nfs/dbraw/zinc/59/82/25/705598225.db2.gz OLANICFQEFGHCV-CQSZACIVSA-N 0 3 307.350 1.230 20 5 DDBDHN CN(CC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CCC1 ZINC000863900626 706032838 /nfs/dbraw/zinc/03/28/38/706032838.db2.gz BJSUHJGLLKNUKO-UHFFFAOYSA-N 0 3 303.362 1.964 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccnc(F)c1 ZINC000872223785 707336426 /nfs/dbraw/zinc/33/64/26/707336426.db2.gz XVGSCDXCBJIIFC-LBPRGKRZSA-N 0 3 321.308 1.658 20 5 DDBDHN CN(CCNc1c(Cl)cccc1[N+](=O)[O-])CCOCCO ZINC000882952289 707868680 /nfs/dbraw/zinc/86/86/80/707868680.db2.gz PIHIVJXXDYDKEJ-UHFFFAOYSA-N 0 3 317.773 1.601 20 5 DDBDHN Cc1ccc(CNCC[C@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000883300820 707970726 /nfs/dbraw/zinc/97/07/26/707970726.db2.gz JIAIYGVUPLEPGN-CYBMUJFWSA-N 0 3 312.391 1.960 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CCN(C)C2)c1C ZINC000897397983 708315192 /nfs/dbraw/zinc/31/51/92/708315192.db2.gz PENAQBOCEMSDCF-HNNXBMFYSA-N 0 3 307.350 1.008 20 5 DDBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@H](C)C1 ZINC000910280396 709862262 /nfs/dbraw/zinc/86/22/62/709862262.db2.gz QYAJVGDLARNIFZ-SNVBAGLBSA-N 0 3 324.356 1.872 20 5 DDBDHN C[C@H]1[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1C ZINC000928446195 713200224 /nfs/dbraw/zinc/20/02/24/713200224.db2.gz VCVPHJQOJPNRSR-TVQRCGJNSA-N 0 3 302.334 1.899 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1C ZINC000928453738 713204155 /nfs/dbraw/zinc/20/41/55/713204155.db2.gz PVXJLFAKZKTQIB-KOLCDFICSA-N 0 3 321.333 1.188 20 5 DDBDHN O=C1N(CCNCc2cccc([N+](=O)[O-])c2)C[C@@H]2CCCCN12 ZINC000895345171 711490496 /nfs/dbraw/zinc/49/04/96/711490496.db2.gz YBBSPVAKJAIKTM-HNNXBMFYSA-N 0 3 318.377 1.975 20 5 DDBDHN COC[C@@H](C)OC[C@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932178371 714279755 /nfs/dbraw/zinc/27/97/55/714279755.db2.gz ZMVNOKNCWLRJBS-LALPHHSUSA-N 0 3 312.366 1.658 20 5 DDBDHN CC(C)N1CCC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000932455630 714336477 /nfs/dbraw/zinc/33/64/77/714336477.db2.gz MGTPULJXCJEJCM-HNNXBMFYSA-N 0 3 321.377 1.963 20 5 DDBDHN CCC(=O)NC1CC2(CC(NCc3c([N+](=O)[O-])ncn3C)C2)C1 ZINC000963432792 717786619 /nfs/dbraw/zinc/78/66/19/717786619.db2.gz HZVSROBCJMSZNF-UHFFFAOYSA-N 0 3 321.381 1.255 20 5 DDBDHN CC(F)(F)C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001019932931 736945228 /nfs/dbraw/zinc/94/52/28/736945228.db2.gz RAKCKKZNFFWQGH-XYPYZODXSA-N 0 3 313.304 1.987 20 5 DDBDHN CC(C)(C)OCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125951366 737913930 /nfs/dbraw/zinc/91/39/30/737913930.db2.gz MTFWZWHSIXSMMS-UHFFFAOYSA-N 0 3 309.366 1.616 20 5 DDBDHN CCN(CC)CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001095567109 750045768 /nfs/dbraw/zinc/04/57/68/750045768.db2.gz QUOJVAYIMPGLQR-UHFFFAOYSA-N 0 3 322.409 1.879 20 5 DDBDHN CCOC(=O)[C@@H]1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCS1 ZINC001169046746 762204854 /nfs/dbraw/zinc/20/48/54/762204854.db2.gz MKCKNRQCOBDCHI-WOPDTQHZSA-N 0 3 302.396 1.412 20 5 DDBDHN Cc1cnc(N2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169048636 762205969 /nfs/dbraw/zinc/20/59/69/762205969.db2.gz AGPCUPOTNFPNKJ-KBPBESRZSA-N 0 3 305.382 1.352 20 5 DDBDHN COc1ccc(N2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169057475 762210608 /nfs/dbraw/zinc/21/06/08/762210608.db2.gz VUCAIDMSGOIVMH-ZIAGYGMSSA-N 0 3 320.393 1.658 20 5 DDBDHN Cc1c(N[C@@H](C)[C@H]2CNCCO2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001170565642 768165209 /nfs/dbraw/zinc/16/52/09/768165209.db2.gz CBLFTAPNKHXFAG-JOYOIKCWSA-N 0 3 310.310 1.600 20 5 DDBDHN CC(C)N(C)CC(=O)N[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001097036649 771590974 /nfs/dbraw/zinc/59/09/74/771590974.db2.gz CNDZANFWLRWRHI-HAQNSBGRSA-N 0 3 321.381 1.389 20 5 DDBDHN CC(C)N(C)CC(=O)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001093674116 774988992 /nfs/dbraw/zinc/98/89/92/774988992.db2.gz PKUBDGLQZLSJCN-UHFFFAOYSA-N 0 3 312.345 1.602 20 5 DDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1COCCC12OCCO2 ZINC001173216287 777048169 /nfs/dbraw/zinc/04/81/69/777048169.db2.gz IFAQVLHGRDXTGB-IUODEOHRSA-N 0 3 322.361 1.647 20 5 DDBDHN Cc1nc[nH]c1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001177563756 778649000 /nfs/dbraw/zinc/64/90/00/778649000.db2.gz CGVRFVNMTFRVMY-UHFFFAOYSA-N 0 3 317.349 1.536 20 5 DDBDHN Cc1nc[nH]c1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001267478547 838146812 /nfs/dbraw/zinc/14/68/12/838146812.db2.gz SCLZCKIBJBTECA-UHFFFAOYSA-N 0 3 317.349 1.488 20 5 DDBDHN O=[N+]([O-])c1c(Cl)ccnc1NCc1nnn2c1CNCCC2 ZINC001155390453 862029403 /nfs/dbraw/zinc/02/94/03/862029403.db2.gz PEHUNJVMRUXFSI-UHFFFAOYSA-N 0 3 323.744 1.340 20 5 DDBDHN Cc1nccn1CC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001151141260 862646608 /nfs/dbraw/zinc/64/66/08/862646608.db2.gz NEBWQNXORHWNMT-UHFFFAOYSA-N 0 3 323.378 1.067 20 5 DDBDHN CC(C)COCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001123981279 859509787 /nfs/dbraw/zinc/50/97/87/859509787.db2.gz PPGYZFYWOWTQDR-UHFFFAOYSA-N 0 3 323.393 1.863 20 5 DDBDHN CC/C(C)=C\C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001157551036 863916267 /nfs/dbraw/zinc/91/62/67/863916267.db2.gz RGUMNSIWALUADS-FLIBITNWSA-N 0 3 309.370 1.281 20 5 DDBDHN C[C@@H](Nc1cnc2cc([N+](=O)[O-])ccc2n1)[C@H]1CNCCO1 ZINC001159495085 865345222 /nfs/dbraw/zinc/34/52/22/865345222.db2.gz CLQCOKRGAPASJU-NOZJJQNGSA-N 0 3 303.322 1.327 20 5 DDBDHN C[C@@H](Nc1ncc([N+](=O)[O-])c2ccccc21)[C@@H]1CNCCO1 ZINC001159497980 865349296 /nfs/dbraw/zinc/34/92/96/865349296.db2.gz PWVLVIOKFAXAHW-YGRLFVJLSA-N 0 3 302.334 1.932 20 5 DDBDHN O=[N+]([O-])c1cccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)n1 ZINC001213026718 866125809 /nfs/dbraw/zinc/12/58/09/866125809.db2.gz OOLWMFXRVPLFEK-UHFFFAOYSA-N 0 3 324.300 1.748 20 5 DDBDHN COC(=O)COc1c(C)cc(-n2nccc2CN)cc1[N+](=O)[O-] ZINC001162597346 867668693 /nfs/dbraw/zinc/66/86/93/867668693.db2.gz LFNDMPFBCFIZQY-UHFFFAOYSA-N 0 3 320.305 1.099 20 5 DDBDHN CCn1c(CCC[N+](=O)[O-])nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001340012702 870837041 /nfs/dbraw/zinc/83/70/41/870837041.db2.gz TVFQQSITVPWUBU-QWHCGFSZSA-N 0 3 324.429 1.426 20 5 DDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCN1C ZINC001340856771 871390179 /nfs/dbraw/zinc/39/01/79/871390179.db2.gz JXJSOYXBNJLVIS-CYBMUJFWSA-N 0 3 320.393 1.875 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CC(CC(N)=O)C1 ZINC001308518451 871505864 /nfs/dbraw/zinc/50/58/64/871505864.db2.gz RZSUVKVIOIGWIP-UHFFFAOYSA-N 0 3 307.350 1.737 20 5 DDBDHN COCCN1CCC(Oc2cc(OC)c([N+](=O)[O-])cn2)CC1 ZINC001226581298 882521713 /nfs/dbraw/zinc/52/17/13/882521713.db2.gz NGYUXOKYRMRZDE-UHFFFAOYSA-N 0 3 311.338 1.488 20 5 DDBDHN CCC(=O)N1CCC(CCNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001318858915 872308138 /nfs/dbraw/zinc/30/81/38/872308138.db2.gz FSWMQSFKUCTXRZ-UHFFFAOYSA-N 0 3 323.397 1.457 20 5 DDBDHN CN1CCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC001349849296 875409475 /nfs/dbraw/zinc/40/94/75/875409475.db2.gz KHDOILPPGHBRMZ-INIZCTEOSA-N 0 3 320.393 1.321 20 5 DDBDHN Cc1nc(NC2CCN([C@@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC001261658294 899687069 /nfs/dbraw/zinc/68/70/69/899687069.db2.gz BDQKXBRMDWNEBZ-GFCCVEGCSA-N 0 3 307.354 1.358 20 5 DDBDHN CN1CCCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001262653901 900286022 /nfs/dbraw/zinc/28/60/22/900286022.db2.gz SNFWAPWLJSKNBW-ZDUSSCGKSA-N 0 3 307.350 1.574 20 5 DDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC(=O)N(C)C1 ZINC000358083232 299070676 /nfs/dbraw/zinc/07/06/76/299070676.db2.gz KFWPYUCGLUJDII-JQWIXIFHSA-N 0 3 320.349 1.132 20 5 DDBDHN CN1C[C@@H]2CCCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425041352 529822020 /nfs/dbraw/zinc/82/20/20/529822020.db2.gz BQBIQIRZBHCWPL-SWLSCSKDSA-N 0 3 319.361 1.526 20 5 DDBDHN C[C@H](CN1CCOCC1)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000279723162 215092698 /nfs/dbraw/zinc/09/26/98/215092698.db2.gz MCQSLXKZMJXTSB-CQSZACIVSA-N 0 3 323.393 1.626 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCN2CCC[C@H]2C1 ZINC000358395661 299142260 /nfs/dbraw/zinc/14/22/60/299142260.db2.gz PGRGLIJPBIOLBN-ZDUSSCGKSA-N 0 3 307.325 1.583 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272606287 210004427 /nfs/dbraw/zinc/00/44/27/210004427.db2.gz JRFRMVBCCCPRSP-UKRRQHHQSA-N 0 3 303.362 1.690 20 5 DDBDHN COCCCN(C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000152401280 186068906 /nfs/dbraw/zinc/06/89/06/186068906.db2.gz UHDJMXODBRTYPE-UHFFFAOYSA-N 0 3 309.366 1.222 20 5 DDBDHN C[C@H]1NCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000262843961 186312163 /nfs/dbraw/zinc/31/21/63/186312163.db2.gz YBCAWQWSRYSDHL-VXGBXAGGSA-N 0 3 306.366 1.606 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CC[C@@H](C)C1 ZINC000617353071 363067189 /nfs/dbraw/zinc/06/71/89/363067189.db2.gz USZZUBHCSOQZES-LLVKDONJSA-N 0 3 307.350 1.675 20 5 DDBDHN COc1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000029092030 352235226 /nfs/dbraw/zinc/23/52/26/352235226.db2.gz GUBJJTFWYPQHEW-UHFFFAOYSA-N 0 3 319.361 1.960 20 5 DDBDHN COCCCN(C)CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000172669676 198134941 /nfs/dbraw/zinc/13/49/41/198134941.db2.gz NQUIJEUHWKYDIN-UHFFFAOYSA-N 0 3 301.368 1.354 20 5 DDBDHN CC(=O)NCC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000047771782 352511237 /nfs/dbraw/zinc/51/12/37/352511237.db2.gz MVKKYBBGSMJQSN-UHFFFAOYSA-N 0 3 321.377 1.822 20 5 DDBDHN CN(C)[C@@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491476546 234179497 /nfs/dbraw/zinc/17/94/97/234179497.db2.gz AQHJRZZYZSIZDN-RYWCDNDXSA-N 0 3 307.325 1.910 20 5 DDBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000061649811 352892695 /nfs/dbraw/zinc/89/26/95/352892695.db2.gz MBRLWJCLNUGEMC-UONOGXRCSA-N 0 3 319.361 1.117 20 5 DDBDHN O=[N+]([O-])c1cn(C[C@H](O)CN2CCc3ccccc3C2)cn1 ZINC000066482908 353000625 /nfs/dbraw/zinc/00/06/25/353000625.db2.gz TZLXARHSSDNFIF-CQSZACIVSA-N 0 3 302.334 1.211 20 5 DDBDHN COC1CCN(CCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000079670509 353572188 /nfs/dbraw/zinc/57/21/88/353572188.db2.gz GZAWLZNAFKQKAW-UHFFFAOYSA-N 0 3 321.377 1.364 20 5 DDBDHN Cc1cc(C(=O)NCC2(O)CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000080882606 353634820 /nfs/dbraw/zinc/63/48/20/353634820.db2.gz DXZDERHNKRIBNL-UHFFFAOYSA-N 0 3 307.350 1.090 20 5 DDBDHN Cc1nn(CCC(=O)NC2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000164081999 354247923 /nfs/dbraw/zinc/24/79/23/354247923.db2.gz HYNAIDKUVICMKT-UHFFFAOYSA-N 0 3 309.370 1.009 20 5 DDBDHN COCCNCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000216314568 354312973 /nfs/dbraw/zinc/31/29/73/354312973.db2.gz ODUMORJKBXRVMQ-UHFFFAOYSA-N 0 3 301.730 1.214 20 5 DDBDHN C[C@H](NS(=O)(=O)CCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000601309847 358490652 /nfs/dbraw/zinc/49/06/52/358490652.db2.gz JFAOTZYQTMJTEG-NSHDSACASA-N 0 3 315.395 1.527 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@]1(C)CCO[C@@H]1C ZINC000494226097 235008934 /nfs/dbraw/zinc/00/89/34/235008934.db2.gz FOVWWFZEIGOMDJ-ABAIWWIYSA-N 0 3 307.350 1.999 20 5 DDBDHN CN(C)C[C@H](CO)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000589101717 354959304 /nfs/dbraw/zinc/95/93/04/354959304.db2.gz IZZSYYVXJVNTRQ-SECBINFHSA-N 0 3 318.171 1.692 20 5 DDBDHN CCc1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590044200 355042498 /nfs/dbraw/zinc/04/24/98/355042498.db2.gz IFRXHFZPJYPXOM-HIFRSBDPSA-N 0 3 303.362 1.933 20 5 DDBDHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000590589575 355122512 /nfs/dbraw/zinc/12/25/12/355122512.db2.gz PFNTTWIFGWSBMV-ZWNOBZJWSA-N 0 3 313.379 1.308 20 5 DDBDHN O=[N+]([O-])c1cnc(NC2CCN([C@H]3CCOC3)CC2)c(F)c1 ZINC000591150652 355255448 /nfs/dbraw/zinc/25/54/48/355255448.db2.gz APKWNOMVFCXPLH-NSHDSACASA-N 0 3 310.329 1.794 20 5 DDBDHN Cc1cc(N2CCN(CCN(C)C)C(=O)C2)ccc1[N+](=O)[O-] ZINC000593486377 355900003 /nfs/dbraw/zinc/90/00/03/355900003.db2.gz USINIEQJZQRQBJ-UHFFFAOYSA-N 0 3 306.366 1.113 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)CCN2CCCCC2)n1 ZINC000593884172 356041156 /nfs/dbraw/zinc/04/11/56/356041156.db2.gz UMRCRLWJTCTLGJ-UHFFFAOYSA-N 0 3 309.370 1.369 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCCC[C@H]2CO)c1 ZINC000594014455 356087192 /nfs/dbraw/zinc/08/71/92/356087192.db2.gz DSXLYSZZRUDDDH-LSDHHAIUSA-N 0 3 324.377 1.571 20 5 DDBDHN Cn1cc(CNC/C=C\CO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594976283 356366972 /nfs/dbraw/zinc/36/69/72/356366972.db2.gz YKDBAURWXQQEMZ-IHWYPQMZSA-N 0 3 302.334 1.633 20 5 DDBDHN COCCN(C)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595042033 356376142 /nfs/dbraw/zinc/37/61/42/356376142.db2.gz SKKCGTXMLCFPNS-LBPRGKRZSA-N 0 3 311.382 1.832 20 5 DDBDHN CC[C@H](C)[C@H](N)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237014673 202122756 /nfs/dbraw/zinc/12/27/56/202122756.db2.gz HKXHRHCSKSTUEC-MJVIPROJSA-N 0 3 321.381 1.376 20 5 DDBDHN C[NH+](C)CCCOC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596150319 356791565 /nfs/dbraw/zinc/79/15/65/356791565.db2.gz JAFLLTCETMDEAU-UHFFFAOYSA-N 0 3 324.381 1.633 20 5 DDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000597857375 357360252 /nfs/dbraw/zinc/36/02/52/357360252.db2.gz FRVXFSMESXVEAB-JTQLQIEISA-N 0 3 306.366 1.780 20 5 DDBDHN CC[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000598531671 357622787 /nfs/dbraw/zinc/62/27/87/357622787.db2.gz OHLLJWVNNVPJHJ-QWHCGFSZSA-N 0 3 320.393 1.630 20 5 DDBDHN COC(=O)c1ccnc(N[C@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000598600357 357648766 /nfs/dbraw/zinc/64/87/66/357648766.db2.gz AVUSQFCIORDKOK-UWVGGRQHSA-N 0 3 320.349 1.814 20 5 DDBDHN O=[N+]([O-])c1ccc(CN(C[C@H](O)Cn2cccn2)C2CC2)cc1 ZINC000179520990 199049486 /nfs/dbraw/zinc/04/94/86/199049486.db2.gz XRDTZRGJCRKCEC-INIZCTEOSA-N 0 3 316.361 1.817 20 5 DDBDHN COc1ccc(OCCN2CC[C@@H]3CC[C@@H](O)[C@@H]32)c([N+](=O)[O-])c1 ZINC000599682295 358023244 /nfs/dbraw/zinc/02/32/44/358023244.db2.gz ZXRQFUGNKMHYCA-SGIREYDYSA-N 0 3 322.361 1.827 20 5 DDBDHN COc1ccc(OCCN2C[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000601971556 358759557 /nfs/dbraw/zinc/75/95/57/358759557.db2.gz DNVOTYKNQJTQOZ-TXEJJXNPSA-N 0 3 308.334 1.560 20 5 DDBDHN CCOC(=O)N1CC[C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000185791393 199887578 /nfs/dbraw/zinc/88/75/78/199887578.db2.gz MWWXPQJDTBGFAM-GFCCVEGCSA-N 0 3 323.349 1.924 20 5 DDBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)C1(S(C)(=O)=O)CC1 ZINC000602661709 359108050 /nfs/dbraw/zinc/10/80/50/359108050.db2.gz KJAOXAQTSDHLJZ-LLVKDONJSA-N 0 3 312.391 1.693 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCC(=O)OC(C)(C)C ZINC000602787050 359191104 /nfs/dbraw/zinc/19/11/04/359191104.db2.gz GLFNBRVMPWSDRT-UHFFFAOYSA-N 0 3 312.370 1.763 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@]1(CO)CCc2ccccc21 ZINC000602800190 359200228 /nfs/dbraw/zinc/20/02/28/359200228.db2.gz WNJCBAAKODETNA-MRXNPFEDSA-N 0 3 316.361 1.523 20 5 DDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)C[C@](C)(O)C1CC1 ZINC000602831706 359224082 /nfs/dbraw/zinc/22/40/82/359224082.db2.gz PWHXIDNHNMMMKF-WBVHZDCISA-N 0 3 322.405 1.981 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000602951369 359316587 /nfs/dbraw/zinc/31/65/87/359316587.db2.gz JAIATILNGJUXIF-DGCLKSJQSA-N 0 3 319.365 1.278 20 5 DDBDHN Cc1nn(CCC(=O)NC2(CN(C)C)CCC2)c(C)c1[N+](=O)[O-] ZINC000281027310 216031945 /nfs/dbraw/zinc/03/19/45/216031945.db2.gz HMQVJGZMKOUDFH-UHFFFAOYSA-N 0 3 323.397 1.399 20 5 DDBDHN C[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000237580187 202292185 /nfs/dbraw/zinc/29/21/85/202292185.db2.gz GJQPYLVMNOGMGN-STQMWFEESA-N 0 3 320.393 1.996 20 5 DDBDHN C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000237663638 202321473 /nfs/dbraw/zinc/32/14/73/202321473.db2.gz YYASXDMHZOJPSF-GHMZBOCLSA-N 0 3 318.377 1.992 20 5 DDBDHN CCN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611092571 360621438 /nfs/dbraw/zinc/62/14/38/360621438.db2.gz ZXWZEJLEPRSPTL-CYBMUJFWSA-N 0 3 320.393 1.949 20 5 DDBDHN CC[NH2+]CC[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000193256338 201014285 /nfs/dbraw/zinc/01/42/85/201014285.db2.gz OOKTVNNXUUXRHS-UHFFFAOYSA-N 0 3 321.786 1.444 20 5 DDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000618923312 363802360 /nfs/dbraw/zinc/80/23/60/363802360.db2.gz DVHVKMDSEWHSOP-INIZCTEOSA-N 0 3 321.377 1.052 20 5 DDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000618923075 363802803 /nfs/dbraw/zinc/80/28/03/363802803.db2.gz CMRLZEBBKDLZMJ-ZDUSSCGKSA-N 0 3 313.379 1.185 20 5 DDBDHN CN(C)C[C@@]1(O)CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000619253604 363946784 /nfs/dbraw/zinc/94/67/84/363946784.db2.gz AVHBNQLVOOGYLJ-INIZCTEOSA-N 0 3 321.377 1.052 20 5 DDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000288249810 220042770 /nfs/dbraw/zinc/04/27/70/220042770.db2.gz GASRUOKISFDXLR-VXGBXAGGSA-N 0 3 318.377 1.876 20 5 DDBDHN CN(C(=O)CN[C@H]1CCC[C@]1(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000351520805 284359492 /nfs/dbraw/zinc/35/94/92/284359492.db2.gz YLIBFNZHBSDXDG-GOEBONIOSA-N 0 3 321.377 1.698 20 5 DDBDHN Cc1nn(C)c(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288382084 220122264 /nfs/dbraw/zinc/12/22/64/220122264.db2.gz LUXDJURGMBVELM-ZYHUDNBSSA-N 0 3 321.381 1.336 20 5 DDBDHN CN(Cc1cccc(Cl)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266389348 205312565 /nfs/dbraw/zinc/31/25/65/205312565.db2.gz BXBVAQDGNSRAFR-CQSZACIVSA-N 0 3 324.768 1.938 20 5 DDBDHN Cc1n[nH]c(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288473201 220166211 /nfs/dbraw/zinc/16/62/11/220166211.db2.gz QNIACTBUTYEIDS-MWLCHTKSSA-N 0 3 307.354 1.325 20 5 DDBDHN C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[n-]1)c1cccs1 ZINC000285111836 218295870 /nfs/dbraw/zinc/29/58/70/218295870.db2.gz UVJLVJJEJYJOIU-SECBINFHSA-N 0 3 309.351 1.412 20 5 DDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000057711995 184049019 /nfs/dbraw/zinc/04/90/19/184049019.db2.gz JNVXCUSLWFWLCT-VIFPVBQESA-N 0 3 322.321 1.716 20 5 DDBDHN O=[N+]([O-])c1cc(CNC2(CO)CCCC2)c2c(c1)COCO2 ZINC000177591765 306688560 /nfs/dbraw/zinc/68/85/60/306688560.db2.gz FUBWPLTZZFFKJA-UHFFFAOYSA-N 0 3 308.334 1.856 20 5 DDBDHN C[C@@H]1[C@H](N2CCOCC2)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000289669488 221142948 /nfs/dbraw/zinc/14/29/48/221142948.db2.gz FTRTXXZOZSHIKF-RHSMWYFYSA-N 0 3 319.405 1.932 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000417186416 533221438 /nfs/dbraw/zinc/22/14/38/533221438.db2.gz SXMWDSSIJROIAW-WDEREUQCSA-N 0 3 322.365 1.495 20 5 DDBDHN COc1ccc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425048002 533301824 /nfs/dbraw/zinc/30/18/24/533301824.db2.gz NKTLCUHLAQSAKP-GXTWGEPZSA-N 0 3 319.361 1.770 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCN1C ZINC000319016652 533635528 /nfs/dbraw/zinc/63/55/28/533635528.db2.gz CPKLVXMJPCGWLS-SCZZXKLOSA-N 0 3 310.329 1.529 20 5 DDBDHN C[C@@H]1CN[C@@H](C)CN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000568858484 304316331 /nfs/dbraw/zinc/31/63/31/304316331.db2.gz DJLTYQUGROUXJA-DTWKUNHWSA-N 0 3 303.322 1.430 20 5 DDBDHN CCc1nn(C)c(N2CC[C@H](OCCN(C)C)C2)c1[N+](=O)[O-] ZINC000361042932 299794829 /nfs/dbraw/zinc/79/48/29/299794829.db2.gz CCDHEAOZYROZJO-NSHDSACASA-N 0 3 311.386 1.048 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C[C@H](C)[NH3+])c1C ZINC000570842558 304425207 /nfs/dbraw/zinc/42/52/07/304425207.db2.gz PAPFBWVYIDEGBH-UWVGGRQHSA-N 0 3 315.395 1.616 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000073818209 406895325 /nfs/dbraw/zinc/89/53/25/406895325.db2.gz XMPPYHLRTSTSBT-OAHLLOKOSA-N 0 3 320.393 1.921 20 5 DDBDHN Cc1ccc([C@@H](C)NCCCS(N)(=O)=O)cc1[N+](=O)[O-] ZINC000045067612 407039105 /nfs/dbraw/zinc/03/91/05/407039105.db2.gz ZPLYWBXQSRYQRC-SNVBAGLBSA-N 0 3 301.368 1.232 20 5 DDBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000038286906 406999900 /nfs/dbraw/zinc/99/99/00/406999900.db2.gz LYUHTPHPBSOUMN-NSHDSACASA-N 0 3 315.395 1.603 20 5 DDBDHN NC(=O)CC[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000170731879 407487334 /nfs/dbraw/zinc/48/73/34/407487334.db2.gz YVHWIEILBYXRKX-CYBMUJFWSA-N 0 3 321.377 1.951 20 5 DDBDHN C[C@@H](NC[C@H](C)N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000127717004 407457844 /nfs/dbraw/zinc/45/78/44/407457844.db2.gz NRILAAWMYZHLJG-UONOGXRCSA-N 0 3 306.410 1.881 20 5 DDBDHN C[C@H]1c2ccccc2CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266540041 407552288 /nfs/dbraw/zinc/55/22/88/407552288.db2.gz PRXSKKMKVQBXKL-WFASDCNBSA-N 0 3 316.361 1.772 20 5 DDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN2CCC[C@@H]2C1 ZINC000178627207 407517411 /nfs/dbraw/zinc/51/74/11/407517411.db2.gz KBGUGJKJJZPNRT-SWLSCSKDSA-N 0 3 318.377 1.702 20 5 DDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN2CCC[C@@H]2C1 ZINC000178640899 407522496 /nfs/dbraw/zinc/52/24/96/407522496.db2.gz AARMECHHBSQGDS-IUODEOHRSA-N 0 3 318.377 1.702 20 5 DDBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN2CCC[C@@H]2C1 ZINC000178640889 407522954 /nfs/dbraw/zinc/52/29/54/407522954.db2.gz AARMECHHBSQGDS-SWLSCSKDSA-N 0 3 318.377 1.702 20 5 DDBDHN Cn1cc(CN2CC[C@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271124555 407525560 /nfs/dbraw/zinc/52/55/60/407525560.db2.gz ZLWTWEGREADZOL-AWEZNQCLSA-N 0 3 302.334 1.562 20 5 DDBDHN C[C@H]1OCC[C@@]1(O)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000227966846 407642644 /nfs/dbraw/zinc/64/26/44/407642644.db2.gz GJRWTJZLXKFACD-NOZJJQNGSA-N 0 3 300.742 1.878 20 5 DDBDHN CN(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267056447 407732998 /nfs/dbraw/zinc/73/29/98/407732998.db2.gz AVWGRFRTABQBSR-CQSZACIVSA-N 0 3 309.391 1.762 20 5 DDBDHN CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118117449 407896518 /nfs/dbraw/zinc/89/65/18/407896518.db2.gz AVPVIQNYVQZLFN-NSHDSACASA-N 0 3 322.365 1.380 20 5 DDBDHN COCCN1CCC(NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272400938 407903309 /nfs/dbraw/zinc/90/33/09/407903309.db2.gz HRRXIOOFXLSIQY-UHFFFAOYSA-N 0 3 322.365 1.018 20 5 DDBDHN C[C@@H]1C[C@H](N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])CCN1C ZINC000272570089 407989187 /nfs/dbraw/zinc/98/91/87/407989187.db2.gz CWQLOFHNJHPERV-GHMZBOCLSA-N 0 3 306.366 1.732 20 5 DDBDHN Cc1nc(N2CCN(C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000268512273 408077997 /nfs/dbraw/zinc/07/79/97/408077997.db2.gz SICJBCZWSIOEBF-UHFFFAOYSA-N 0 3 306.366 1.599 20 5 DDBDHN C[C@@]1(O)CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000245852739 408078435 /nfs/dbraw/zinc/07/84/35/408078435.db2.gz DBZZVXKEZWXKQB-UKRRQHHQSA-N 0 3 310.350 1.181 20 5 DDBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCN1CC(C)(C)O ZINC000189876838 408125876 /nfs/dbraw/zinc/12/58/76/408125876.db2.gz IFWHNSMIVFVGIJ-CYBMUJFWSA-N 0 3 307.394 1.872 20 5 DDBDHN CC1(C)CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCN1 ZINC000175429862 408127181 /nfs/dbraw/zinc/12/71/81/408127181.db2.gz IULXPOLQPZJCNZ-UHFFFAOYSA-N 0 3 303.322 1.295 20 5 DDBDHN COC[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273339204 408158497 /nfs/dbraw/zinc/15/84/97/408158497.db2.gz NIMCEMDYUYQEKH-QWHCGFSZSA-N 0 3 310.350 1.303 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C)CC1 ZINC000122188846 408263796 /nfs/dbraw/zinc/26/37/96/408263796.db2.gz NSNJEVRYOYDFOT-UHFFFAOYSA-N 0 3 322.365 1.179 20 5 DDBDHN Cn1cccc1[C@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246465401 408263955 /nfs/dbraw/zinc/26/39/55/408263955.db2.gz AKJYTKNBPAHZKU-UKRRQHHQSA-N 0 3 319.365 1.328 20 5 DDBDHN CN(C)C[C@@](C)(O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273471127 408214865 /nfs/dbraw/zinc/21/48/65/408214865.db2.gz OMTUQPHQFFJRPM-ZDUSSCGKSA-N 0 3 314.317 1.168 20 5 DDBDHN Cc1[nH+]ccn1CCCNC(=O)c1[n-]nc(C(C)C)c1[N+](=O)[O-] ZINC000269431983 408305375 /nfs/dbraw/zinc/30/53/75/408305375.db2.gz ZZAOXTSEKAYCHX-UHFFFAOYSA-N 0 3 320.353 1.766 20 5 DDBDHN COc1cc(C(=O)N(C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000264046749 408351701 /nfs/dbraw/zinc/35/17/01/408351701.db2.gz DDWUYAQVYHQTHA-UHFFFAOYSA-N 0 3 307.350 1.770 20 5 DDBDHN C[C@@H](Cn1cccn1)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000265106024 408553498 /nfs/dbraw/zinc/55/34/98/408553498.db2.gz YCMIXZBWYJPIMF-NSHDSACASA-N 0 3 303.322 1.408 20 5 DDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C1Cc2ccccc2C1 ZINC000270566804 408581528 /nfs/dbraw/zinc/58/15/28/408581528.db2.gz MISDHEBCXOAFSH-UHFFFAOYSA-N 0 3 313.357 1.856 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000177144784 408535154 /nfs/dbraw/zinc/53/51/54/408535154.db2.gz YYCGSTDKPLKFKD-UWVGGRQHSA-N 0 3 321.381 1.625 20 5 DDBDHN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000162807373 408735239 /nfs/dbraw/zinc/73/52/39/408735239.db2.gz IQXDGRQOCSKJBO-YPMHNXCESA-N 0 3 319.361 1.499 20 5 DDBDHN CCN1CC[C@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000290814684 408837931 /nfs/dbraw/zinc/83/79/31/408837931.db2.gz RQZRQIRZHWGZRH-JQWIXIFHSA-N 0 3 321.381 1.255 20 5 DDBDHN C[C@H](O)CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000277482178 408948374 /nfs/dbraw/zinc/94/83/74/408948374.db2.gz CPGBAXREHGDQDY-MNOVXSKESA-N 0 3 319.365 1.362 20 5 DDBDHN C[C@H](N[C@@H]1CCOC[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000277665204 408988587 /nfs/dbraw/zinc/98/85/87/408988587.db2.gz FUBVSCQLJVXXFG-SDDRHHMPSA-N 0 3 307.350 1.936 20 5 DDBDHN Cn1cc([C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2CO)cn1 ZINC000277920432 409035437 /nfs/dbraw/zinc/03/54/37/409035437.db2.gz XYRPDRJYSAEDBK-HOCLYGCPSA-N 0 3 316.361 1.536 20 5 DDBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCN(C2CCC2)C1 ZINC000293604294 409146777 /nfs/dbraw/zinc/14/67/77/409146777.db2.gz DCMHEUKNMJIJKT-JTQLQIEISA-N 0 3 307.354 1.264 20 5 DDBDHN O=C(CN[C@H]1CCC[C@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000279262733 409180867 /nfs/dbraw/zinc/18/08/67/409180867.db2.gz MLRCYSRFSASAGU-RYUDHWBXSA-N 0 3 307.350 1.674 20 5 DDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279486162 409224408 /nfs/dbraw/zinc/22/44/08/409224408.db2.gz RENRAPWRKUQVIZ-ZANVPECISA-N 0 3 324.356 1.728 20 5 DDBDHN CN1CCC(Cc2nc(Cc3ccc([N+](=O)[O-])cn3)no2)CC1 ZINC000290049379 409293539 /nfs/dbraw/zinc/29/35/39/409293539.db2.gz JOIJBUBHBVTEON-UHFFFAOYSA-N 0 3 317.349 1.848 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343609418 164087246 /nfs/dbraw/zinc/08/72/46/164087246.db2.gz SJUUGEFOEVFGRD-YPMHNXCESA-N 0 3 306.366 1.877 20 5 DDBDHN Cc1c(NC(=O)[C@H](C)N2CCCN(C)CC2)cccc1[N+](=O)[O-] ZINC000298087957 410107505 /nfs/dbraw/zinc/10/75/05/410107505.db2.gz PZWPFJRQRDEMLI-ZDUSSCGKSA-N 0 3 320.393 1.868 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@]1(C)CCCCN1 ZINC000357785842 410248099 /nfs/dbraw/zinc/24/80/99/410248099.db2.gz DMODAMAUCPNMLF-OAHLLOKOSA-N 0 3 307.350 1.752 20 5 DDBDHN O=C(NCCCN1CCC(O)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000298683790 410346149 /nfs/dbraw/zinc/34/61/49/410346149.db2.gz KKCJWNSDAZWJDK-UHFFFAOYSA-N 0 3 322.365 1.563 20 5 DDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)C(=O)N(C)C ZINC000357850351 410294233 /nfs/dbraw/zinc/29/42/33/410294233.db2.gz NBNPHPLHFZQYOX-QWRGUYRKSA-N 0 3 322.365 1.378 20 5 DDBDHN CN(C)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000351879681 410315744 /nfs/dbraw/zinc/31/57/44/410315744.db2.gz BDLASWIHRXZMSL-UHFFFAOYSA-N 0 3 324.381 1.116 20 5 DDBDHN C[C@H]1CCCCN1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000298744291 410377012 /nfs/dbraw/zinc/37/70/12/410377012.db2.gz YFYQHFIIBQSOPX-JTQLQIEISA-N 0 3 307.354 1.375 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343460318 410470109 /nfs/dbraw/zinc/47/01/09/410470109.db2.gz SHYHHJKYZNGYOU-RISCZKNCSA-N 0 3 307.350 1.573 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343464890 410473177 /nfs/dbraw/zinc/47/31/77/410473177.db2.gz YVUPJVFNUCZCRI-VXGBXAGGSA-N 0 3 307.350 1.573 20 5 DDBDHN C[NH+](C)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000298874499 410433107 /nfs/dbraw/zinc/43/31/07/410433107.db2.gz XMHYFAIZDWQWGE-UHFFFAOYSA-N 0 3 321.786 1.478 20 5 DDBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[C@H]1N1CCN(C)CC1 ZINC000343420811 410438089 /nfs/dbraw/zinc/43/80/89/410438089.db2.gz BHYBYJWZGVDKQS-DZGCQCFKSA-N 0 3 319.409 1.452 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCCN1C ZINC000343427196 410442934 /nfs/dbraw/zinc/44/29/34/410442934.db2.gz DQVDDGJGHLUTHY-JQWIXIFHSA-N 0 3 309.370 1.125 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[NH+](C)C)cc1C ZINC000299044385 410496045 /nfs/dbraw/zinc/49/60/45/410496045.db2.gz KAJZKJJUYZJEES-UHFFFAOYSA-N 0 3 315.395 1.442 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000340098173 410675563 /nfs/dbraw/zinc/67/55/63/410675563.db2.gz VVPHIMVYLITDJU-JSGCOSHPSA-N 0 3 320.393 1.919 20 5 DDBDHN COCCCN(C)CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352366209 410649909 /nfs/dbraw/zinc/64/99/09/410649909.db2.gz CDORECQOUUVABM-UHFFFAOYSA-N 0 3 318.377 2.523 20 5 DDBDHN COC[C@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000347805633 410729596 /nfs/dbraw/zinc/72/95/96/410729596.db2.gz PQYFOUAHQMJYHW-LBPRGKRZSA-N 0 3 307.350 1.856 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c1 ZINC000343829904 410730769 /nfs/dbraw/zinc/73/07/69/410730769.db2.gz NHUCSGXQWPTVRC-IINYFYTJSA-N 0 3 319.361 1.816 20 5 DDBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000330559655 410775272 /nfs/dbraw/zinc/77/52/72/410775272.db2.gz HJIUFEVWOKUZIO-NEPJUHHUSA-N 0 3 308.382 1.784 20 5 DDBDHN CN(CCN1CCCC1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340301606 410838336 /nfs/dbraw/zinc/83/83/36/410838336.db2.gz MPOBHBMADWGVNG-UHFFFAOYSA-N 0 3 320.393 1.875 20 5 DDBDHN CN(C)CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000348342854 410925030 /nfs/dbraw/zinc/92/50/30/410925030.db2.gz ZQTJFHRLOFTJRM-AWEZNQCLSA-N 0 3 303.366 1.569 20 5 DDBDHN Cc1n[nH]c(C(=O)NCCN2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000331279111 411055288 /nfs/dbraw/zinc/05/52/88/411055288.db2.gz ANEVLITVOWKVMG-UHFFFAOYSA-N 0 3 309.370 1.478 20 5 DDBDHN Cc1cc(OCC(=O)N2CCNC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000331229151 411030340 /nfs/dbraw/zinc/03/03/40/411030340.db2.gz PBACXHJNYMLBRX-UHFFFAOYSA-N 0 3 307.350 1.492 20 5 DDBDHN C[C@@H](O)CN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000130782465 196109130 /nfs/dbraw/zinc/10/91/30/196109130.db2.gz KHZHTBNXSASBIW-LLVKDONJSA-N 0 3 304.350 1.808 20 5 DDBDHN CC(C)(O)CN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000366681726 418504074 /nfs/dbraw/zinc/50/40/74/418504074.db2.gz PKOGVRQQXIYFMY-UHFFFAOYSA-N 0 3 321.377 1.514 20 5 DDBDHN Cn1ccnc1CC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174850615 418518629 /nfs/dbraw/zinc/51/86/29/418518629.db2.gz XSIZSZJFWVIMMR-UHFFFAOYSA-N 0 3 318.381 1.480 20 5 DDBDHN O=C(NCCn1ccnc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000193564639 418532373 /nfs/dbraw/zinc/53/23/73/418532373.db2.gz VVDZCNWLUQJPPT-UHFFFAOYSA-N 0 3 300.278 1.098 20 5 DDBDHN CNc1c(C(=O)N[C@H]2CCCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000360931171 418550240 /nfs/dbraw/zinc/55/02/40/418550240.db2.gz MHWBMPPJSHRXCT-JQWIXIFHSA-N 0 3 306.366 1.849 20 5 DDBDHN CNc1c(C(=O)NCCN(C)CCCOC)cccc1[N+](=O)[O-] ZINC000361211406 418607171 /nfs/dbraw/zinc/60/71/71/418607171.db2.gz HRXCDNHDTYMMHI-UHFFFAOYSA-N 0 3 324.381 1.335 20 5 DDBDHN CCCN(CCN1CCCCCC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000341075942 418625011 /nfs/dbraw/zinc/62/50/11/418625011.db2.gz WDGMSJKEZJSROZ-UHFFFAOYSA-N 0 3 322.413 2.059 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](OC)C1 ZINC000361363412 418635694 /nfs/dbraw/zinc/63/56/94/418635694.db2.gz YPVKYYURTLMUAF-GFCCVEGCSA-N 0 3 323.349 1.653 20 5 DDBDHN C[C@H]1CCN(C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000361788239 418711102 /nfs/dbraw/zinc/71/11/02/418711102.db2.gz QWCLMXTVVGCOAI-ZDUSSCGKSA-N 0 3 320.393 1.584 20 5 DDBDHN C[C@H]1OCC[C@H]1N(CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000361583628 418686679 /nfs/dbraw/zinc/68/66/79/418686679.db2.gz LPGOJQURIIQLMF-IUODEOHRSA-N 0 3 310.350 1.445 20 5 DDBDHN C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)N1CCCC1 ZINC000388817861 418748301 /nfs/dbraw/zinc/74/83/01/418748301.db2.gz AWOWHPPJKRKKNH-VIFPVBQESA-N 0 3 310.329 1.530 20 5 DDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000372351424 418860144 /nfs/dbraw/zinc/86/01/44/418860144.db2.gz RXXQAWZWGBXOIU-BPLDGKMQSA-N 0 3 321.377 1.502 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)n1 ZINC000427456347 419663730 /nfs/dbraw/zinc/66/37/30/419663730.db2.gz GTSCMVARJSTVEC-RYUDHWBXSA-N 0 3 323.397 1.804 20 5 DDBDHN CN1CCC(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000427968852 419777529 /nfs/dbraw/zinc/77/75/29/419777529.db2.gz XMFPLHPXQHYWBV-UHFFFAOYSA-N 0 3 319.361 1.658 20 5 DDBDHN COC(=O)[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H]1C(C)C ZINC000429364746 420007741 /nfs/dbraw/zinc/00/77/41/420007741.db2.gz SUVKUZGGFQRFTR-STQMWFEESA-N 0 3 310.354 1.311 20 5 DDBDHN Cc1cc(C(=O)NC[C@](C)(O)CCN(C)C)cc([N+](=O)[O-])c1 ZINC000420029283 420098361 /nfs/dbraw/zinc/09/83/61/420098361.db2.gz DBELXCZCDCEYFF-OAHLLOKOSA-N 0 3 309.366 1.336 20 5 DDBDHN CN(C[C@H]1CCCN1C)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000420636989 420335979 /nfs/dbraw/zinc/33/59/79/420335979.db2.gz OCPSXSXTIOJVFG-LLVKDONJSA-N 0 3 317.349 1.774 20 5 DDBDHN CC(C)c1ccc(C(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423994908 420298851 /nfs/dbraw/zinc/29/88/51/420298851.db2.gz IVFWNNZGXXKKHH-GFCCVEGCSA-N 0 3 307.350 1.436 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(C(C)C)C2)n1 ZINC000457082140 420606168 /nfs/dbraw/zinc/60/61/68/420606168.db2.gz DOWWDCGNNOAHGB-NSHDSACASA-N 0 3 309.370 1.366 20 5 DDBDHN C[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000441692433 420660134 /nfs/dbraw/zinc/66/01/34/420660134.db2.gz TUCRKFAXGKSFBY-XNRPHZJLSA-N 0 3 324.377 1.427 20 5 DDBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1COC[C@H]1O ZINC000453352549 420723904 /nfs/dbraw/zinc/72/39/04/420723904.db2.gz QHEBJQCMLXXVOP-NQBHXWOUSA-N 0 3 312.391 1.815 20 5 DDBDHN C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)N(C)C ZINC000454797958 420926174 /nfs/dbraw/zinc/92/61/74/420926174.db2.gz OGURPDNCMSGUNV-VIFPVBQESA-N 0 3 314.773 1.998 20 5 DDBDHN Nc1c(C(=O)N[C@H]2CNCCC2(F)F)cc(F)cc1[N+](=O)[O-] ZINC000449662388 421051092 /nfs/dbraw/zinc/05/10/92/421051092.db2.gz LFODTKGAZYLARY-VIFPVBQESA-N 0 3 318.255 1.043 20 5 DDBDHN CC(C)(C(=O)Nc1ccc2c(c1)CNC2)n1cc([N+](=O)[O-])cn1 ZINC000449673876 421053886 /nfs/dbraw/zinc/05/38/86/421053886.db2.gz QUTNPIKCGVMNBD-UHFFFAOYSA-N 0 3 315.333 1.768 20 5 DDBDHN CC(COC(=O)[C@H](C)NC(=O)OCc1ccccc1)[N+](=O)[O-] ZINC000495904101 421088566 /nfs/dbraw/zinc/08/85/66/421088566.db2.gz NWYJQRLCSHGKRI-MNOVXSKESA-N 0 3 310.306 1.510 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[C@H](C)C2)c1 ZINC000524775179 421271129 /nfs/dbraw/zinc/27/11/29/421271129.db2.gz UOMAYEATFSEXHI-NSHDSACASA-N 0 3 307.350 1.675 20 5 DDBDHN CN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000551039516 421526367 /nfs/dbraw/zinc/52/63/67/421526367.db2.gz KIGZVAYNNFXMTC-UHFFFAOYSA-N 0 3 320.393 1.949 20 5 DDBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000553785427 421625436 /nfs/dbraw/zinc/62/54/36/421625436.db2.gz ZEFLTRVISQPIRV-YWPYICTPSA-N 0 3 318.377 1.792 20 5 DDBDHN CCc1nn(C)c(NCCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000557490402 421772764 /nfs/dbraw/zinc/77/27/64/421772764.db2.gz JRASFGHBABRQSY-UHFFFAOYSA-N 0 3 324.429 1.330 20 5 DDBDHN CC[C@H](C)N[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccco1 ZINC000578788958 422650159 /nfs/dbraw/zinc/65/01/59/422650159.db2.gz PHGHCSNBFKAFKK-ONGXEEELSA-N 0 3 321.337 1.770 20 5 DDBDHN NC(=O)c1cccc([N+](=O)[O-])c1N1CC[C@@H](N2CCCC2)C1 ZINC000579217905 422726706 /nfs/dbraw/zinc/72/67/06/422726706.db2.gz WGTLCBDKIYKLSU-LLVKDONJSA-N 0 3 304.350 1.368 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CCCS(=O)(=O)C1 ZINC000342193210 271335649 /nfs/dbraw/zinc/33/56/49/271335649.db2.gz CQEMXGSMNTXFQZ-GFCCVEGCSA-N 0 3 312.391 1.818 20 5 DDBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000344645344 272078625 /nfs/dbraw/zinc/07/86/25/272078625.db2.gz PDSUXDYYEZGEBC-LBPRGKRZSA-N 0 3 309.370 1.028 20 5 DDBDHN C[C@@H](CN1CCCCC1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183639433 274217266 /nfs/dbraw/zinc/21/72/66/274217266.db2.gz AOMBAKRDTOAQHG-NSHDSACASA-N 0 3 307.354 1.986 20 5 DDBDHN CC[C@H](CNS(C)(=O)=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296658235 276626861 /nfs/dbraw/zinc/62/68/61/276626861.db2.gz ZNTCVBCUAYVASQ-ZYHUDNBSSA-N 0 3 315.395 1.573 20 5 DDBDHN COc1cccc(N2CCN(C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000185529770 278016133 /nfs/dbraw/zinc/01/61/33/278016133.db2.gz KUMLASYUORDQGJ-ZDUSSCGKSA-N 0 3 321.377 1.762 20 5 DDBDHN C[C@@H](CN1CCOCC1)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293592128 278265234 /nfs/dbraw/zinc/26/52/34/278265234.db2.gz FMOSVVVOJTYZON-RYUDHWBXSA-N 0 3 308.382 1.548 20 5 DDBDHN CNc1ccc(C(=O)N2CC[C@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000323707575 298261961 /nfs/dbraw/zinc/26/19/61/298261961.db2.gz JYZZKQMROPUFIJ-INIZCTEOSA-N 0 3 318.377 1.804 20 5 DDBDHN Cc1c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000363689685 300296268 /nfs/dbraw/zinc/29/62/68/300296268.db2.gz GWNPRVCFQTYLCF-CHWSQXEVSA-N 0 3 319.361 1.496 20 5 DDBDHN CN(C)CCn1nnnc1SCCc1ccc([N+](=O)[O-])cc1 ZINC000412991264 302376828 /nfs/dbraw/zinc/37/68/28/302376828.db2.gz JLUGKBUGQROPTP-UHFFFAOYSA-N 0 3 322.394 1.478 20 5 DDBDHN O=C1OCC[C@@H]1CCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369004144 307114236 /nfs/dbraw/zinc/11/42/36/307114236.db2.gz YNPZAOVNUMJLEU-NWDGAFQWSA-N 0 3 308.338 1.381 20 5 DDBDHN CN1CC[C@@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)[C@H]2C1 ZINC000378507648 307290533 /nfs/dbraw/zinc/29/05/33/307290533.db2.gz WPDYHAQXBHKEEU-MNOVXSKESA-N 0 3 302.338 1.168 20 5 DDBDHN CC(C)COC(=O)N1CCC(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000496856225 307364897 /nfs/dbraw/zinc/36/48/97/307364897.db2.gz KJGFMXZBJHEVMV-LLVKDONJSA-N 0 3 316.354 1.699 20 5 DDBDHN CC(COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C)[N+](=O)[O-] ZINC000496902902 307368117 /nfs/dbraw/zinc/36/81/17/307368117.db2.gz PFTZKKRANYHQSW-HBNTYKKESA-N 0 3 316.354 1.840 20 5 DDBDHN O=C1NCC[C@H]1CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000561470249 307926857 /nfs/dbraw/zinc/92/68/57/307926857.db2.gz BFHBYHOCGAJQCI-ZDUSSCGKSA-N 0 3 318.377 1.243 20 5 DDBDHN CN(C[C@H](O)CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000566123491 308044754 /nfs/dbraw/zinc/04/47/54/308044754.db2.gz AOVVYQFFGCWJEE-GFCCVEGCSA-N 0 3 319.365 1.016 20 5 DDBDHN CN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1(C)C ZINC000567176324 308074843 /nfs/dbraw/zinc/07/48/43/308074843.db2.gz AZCQIZKGPYUVKF-UHFFFAOYSA-N 0 3 303.366 1.997 20 5 DDBDHN CNc1nc(C(=O)N2CCCC[C@@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000576355492 308309046 /nfs/dbraw/zinc/30/90/46/308309046.db2.gz YMSNZDHNICDVAR-LLVKDONJSA-N 0 3 321.381 1.588 20 5 DDBDHN Cc1cc(S(=O)(=O)N[C@H]2CCCNC2)c(C)cc1[N+](=O)[O-] ZINC000576958055 308352646 /nfs/dbraw/zinc/35/26/46/308352646.db2.gz AJPRGWKXMSQZSN-NSHDSACASA-N 0 3 313.379 1.242 20 5 DDBDHN C[C@@H](O)C[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576992237 308354844 /nfs/dbraw/zinc/35/48/44/308354844.db2.gz HNBQUBUWMUBQSS-GHMZBOCLSA-N 0 3 316.379 1.118 20 5 DDBDHN C[C@H](NC(=O)[C@@H]1CN2CCN1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000452184214 533711456 /nfs/dbraw/zinc/71/14/56/533711456.db2.gz RFGYLYCKLAEGKR-WFASDCNBSA-N 0 3 318.377 1.162 20 5 DDBDHN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000348143055 490748827 /nfs/dbraw/zinc/74/88/27/490748827.db2.gz ORWDYHWOTSNVPQ-ZWNOBZJWSA-N 0 3 307.350 1.598 20 5 DDBDHN COc1cc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000293009841 533883149 /nfs/dbraw/zinc/88/31/49/533883149.db2.gz NVIAFXMYTJEFJR-BMIGLBTASA-N 0 3 310.350 1.950 20 5 DDBDHN C[C@@H]1OCC[C@@]1(C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000494204869 534186957 /nfs/dbraw/zinc/18/69/57/534186957.db2.gz MKRLRWMSHVIMRZ-MEDUHNTESA-N 0 3 319.361 1.641 20 5 DDBDHN CCNC(=O)N1CC[C@H](N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000294800473 528156177 /nfs/dbraw/zinc/15/61/77/528156177.db2.gz OYRVUESBQJRPDY-PWSUYJOCSA-N 0 3 321.381 1.631 20 5 DDBDHN CC1(C)CCCN[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000422937628 528949846 /nfs/dbraw/zinc/94/98/46/528949846.db2.gz OMPAQGOTYKOYKG-AWEZNQCLSA-N 0 3 320.393 1.901 20 5 DDBDHN CCC[C@@H](NC[C@H](O)Cn1ccnn1)c1cccc([N+](=O)[O-])c1 ZINC000414181889 529011949 /nfs/dbraw/zinc/01/19/49/529011949.db2.gz MMSHQBAUZLZFJM-LSDHHAIUSA-N 0 3 319.365 1.678 20 5 DDBDHN CCN1CCN(C[C@H](C)CNc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000294776213 529148643 /nfs/dbraw/zinc/14/86/43/529148643.db2.gz ABILGWYCHUZBHU-GFCCVEGCSA-N 0 3 322.413 1.379 20 5 DDBDHN C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000820668795 599589776 /nfs/dbraw/zinc/58/97/76/599589776.db2.gz WOKYVNOMPPLBJS-GXSJLCMTSA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000820668795 599589778 /nfs/dbraw/zinc/58/97/78/599589778.db2.gz WOKYVNOMPPLBJS-GXSJLCMTSA-N 0 3 317.353 1.670 20 5 DDBDHN O=[N+]([O-])c1ccc(CN[C@]2(CCO)CCOC2)cc1Cl ZINC000775203762 697971168 /nfs/dbraw/zinc/97/11/68/697971168.db2.gz HRGUFHUEVJXBCX-CYBMUJFWSA-N 0 3 300.742 1.879 20 5 DDBDHN Cc1nn(CN(C)C[C@H]2CCCOC2)c2ncc([N+](=O)[O-])cc12 ZINC000749951791 700193785 /nfs/dbraw/zinc/19/37/85/700193785.db2.gz CVHUJLKVBKSUPM-GFCCVEGCSA-N 0 3 319.365 1.964 20 5 DDBDHN NC(=O)CC[C@@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583017 698121410 /nfs/dbraw/zinc/12/14/10/698121410.db2.gz YNVFMJQMUPIYEW-SWLSCSKDSA-N 0 3 321.377 1.606 20 5 DDBDHN CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000866068640 706609916 /nfs/dbraw/zinc/60/99/16/706609916.db2.gz USDYQXYNGYMQJF-GFCCVEGCSA-N 0 3 309.341 1.829 20 5 DDBDHN C[C@@H](CCS(C)(=O)=O)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815588846 701900409 /nfs/dbraw/zinc/90/04/09/701900409.db2.gz AKRYVKPSUFBPOM-UWVGGRQHSA-N 0 3 315.395 1.651 20 5 DDBDHN CC(COC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1)[N+](=O)[O-] ZINC000813104419 702292297 /nfs/dbraw/zinc/29/22/97/702292297.db2.gz CGFDPHYQMXUJHE-ONGXEEELSA-N 0 3 316.354 1.888 20 5 DDBDHN CCc1ccccc1N1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813105522 702292973 /nfs/dbraw/zinc/29/29/73/702292973.db2.gz NWBASFDADONMAQ-YPMHNXCESA-N 0 3 320.345 1.810 20 5 DDBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)[N+](=O)[O-] ZINC000813105963 702293316 /nfs/dbraw/zinc/29/33/16/702293316.db2.gz WNBBMVREASLXOK-WDEREUQCSA-N 0 3 300.355 1.480 20 5 DDBDHN CC(COC(=O)[C@H]1CCS(=O)(=O)c2ccccc21)[N+](=O)[O-] ZINC000813109401 702295112 /nfs/dbraw/zinc/29/51/12/702295112.db2.gz RUEBHVSDJGSQET-KOLCDFICSA-N 0 3 313.331 1.156 20 5 DDBDHN CC(COC(=O)c1cc(N2CCOC2=O)ccc1F)[N+](=O)[O-] ZINC000813109966 702296246 /nfs/dbraw/zinc/29/62/46/702296246.db2.gz XXMKNNOMELODRM-MRVPVSSYSA-N 0 3 312.253 1.604 20 5 DDBDHN CC(COC(=O)c1nn(-c2ccc(F)cc2)ccc1=O)[N+](=O)[O-] ZINC000813109876 702296522 /nfs/dbraw/zinc/29/65/22/702296522.db2.gz XFZZFNCVQRGKLF-SECBINFHSA-N 0 3 321.264 1.194 20 5 DDBDHN CC(COC(=O)C1CCN(C(=O)c2cccnc2)CC1)[N+](=O)[O-] ZINC000813111028 702297069 /nfs/dbraw/zinc/29/70/69/702297069.db2.gz ARBSOYOOKPGMJN-LLVKDONJSA-N 0 3 321.333 1.142 20 5 DDBDHN CC(COC(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1)[N+](=O)[O-] ZINC000813113807 702298024 /nfs/dbraw/zinc/29/80/24/702298024.db2.gz JIMQYEZOLOEAOS-NXEZZACHSA-N 0 3 315.347 1.402 20 5 DDBDHN CCc1nc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1ccccc1 ZINC000813112747 702298496 /nfs/dbraw/zinc/29/84/96/702298496.db2.gz KIMQVSKBEFQVEG-JTQLQIEISA-N 0 3 304.306 1.652 20 5 DDBDHN CCN1CCN(c2ccc(C(=O)O[C@@H](C)C[N+](=O)[O-])cc2)CC1 ZINC000814042340 702467099 /nfs/dbraw/zinc/46/70/99/702467099.db2.gz WHIWWJRMUNTCDK-ZDUSSCGKSA-N 0 3 321.377 1.651 20 5 DDBDHN Cc1cc(Cc2noc(C[C@@H]3CNCCO3)n2)ccc1[N+](=O)[O-] ZINC000843192711 702838706 /nfs/dbraw/zinc/83/87/06/702838706.db2.gz XUPOGRIJHTVORF-GFCCVEGCSA-N 0 3 318.333 1.408 20 5 DDBDHN CC([C@@H](OC(=O)c1ncn(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845882395 703211989 /nfs/dbraw/zinc/21/19/89/703211989.db2.gz OQBSQGDYDFRMSA-LDYMZIIASA-N 0 3 308.269 1.518 20 5 DDBDHN COc1cccc([N+](=O)[O-])c1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000848659581 703572910 /nfs/dbraw/zinc/57/29/10/703572910.db2.gz MPSLQAVJWCFHTJ-NWDGAFQWSA-N 0 3 307.350 1.879 20 5 DDBDHN O=C(NCCNC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000818947957 704032013 /nfs/dbraw/zinc/03/20/13/704032013.db2.gz LUHSFXAOFXCTFQ-ZDUSSCGKSA-N 0 3 319.317 1.241 20 5 DDBDHN CCc1cc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000819054619 704060737 /nfs/dbraw/zinc/06/07/37/704060737.db2.gz QTYXTNLMYZOXNL-CQSZACIVSA-N 0 3 320.349 1.410 20 5 DDBDHN CCc1cc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000819054619 704060740 /nfs/dbraw/zinc/06/07/40/704060740.db2.gz QTYXTNLMYZOXNL-CQSZACIVSA-N 0 3 320.349 1.410 20 5 DDBDHN CCO[C@@H]1C[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000819228696 704090738 /nfs/dbraw/zinc/09/07/38/704090738.db2.gz XCNWSGCHXKYCAT-BYNSBNAKSA-N 0 3 310.350 1.410 20 5 DDBDHN CN1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCC1(C)C ZINC000871153270 704232666 /nfs/dbraw/zinc/23/26/66/704232666.db2.gz JEVIZJXTOZBUTG-UHFFFAOYSA-N 0 3 323.397 1.469 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(C(=O)N[C@H](CO)CN(C)C)cc1Cl ZINC000854467704 704402694 /nfs/dbraw/zinc/40/26/94/704402694.db2.gz JQYGKEGHVBFWRN-VIFPVBQESA-N 0 3 315.757 1.209 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@H](n3ccnn3)C2)cc1 ZINC000823468832 705249635 /nfs/dbraw/zinc/24/96/35/705249635.db2.gz LIBKLMXKOFIXLQ-GJZGRUSLSA-N 0 3 317.349 1.557 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H](n3ccnn3)C2)c1 ZINC000823469101 705250281 /nfs/dbraw/zinc/25/02/81/705250281.db2.gz OQPLJUWJXPHQFP-HUUCEWRRSA-N 0 3 317.349 1.557 20 5 DDBDHN Cn1nnnc1C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000877781108 706208842 /nfs/dbraw/zinc/20/88/42/706208842.db2.gz QYPHTEUTBOJHRU-UHFFFAOYSA-N 0 3 316.365 1.540 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CCCn3nccc32)c1 ZINC000872243129 707345472 /nfs/dbraw/zinc/34/54/72/707345472.db2.gz SRULVIGMQFMBDL-UKRRQHHQSA-N 0 3 302.334 1.949 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCCS(C)(=O)=O ZINC000873043525 707706179 /nfs/dbraw/zinc/70/61/79/707706179.db2.gz YBPZYLIUKXTNFL-UHFFFAOYSA-N 0 3 300.380 1.736 20 5 DDBDHN CC(C)c1ccc(CNCCN2CCNC2=O)cc1[N+](=O)[O-] ZINC000886324444 708743406 /nfs/dbraw/zinc/74/34/06/708743406.db2.gz RDFOLCVNFOVVMF-UHFFFAOYSA-N 0 3 306.366 1.833 20 5 DDBDHN COc1cc([C@@H](C)NC[C@@H]2CN(C)CCN2C)cc([N+](=O)[O-])c1 ZINC000903091852 711029869 /nfs/dbraw/zinc/02/98/69/711029869.db2.gz BMJJVKYGMXKSJU-IUODEOHRSA-N 0 3 322.409 1.500 20 5 DDBDHN Cn1cc(CN2C[C@@H]3C[C@]3(O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000895645424 711567873 /nfs/dbraw/zinc/56/78/73/711567873.db2.gz BYDIDGHSTNMBGT-BBRMVZONSA-N 0 3 314.345 1.562 20 5 DDBDHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000915625020 713425029 /nfs/dbraw/zinc/42/50/29/713425029.db2.gz GZIWRIBZOPOQBA-GFCCVEGCSA-N 0 3 323.349 1.561 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC[C@@H]1CNC(=O)C1 ZINC000922782268 714146184 /nfs/dbraw/zinc/14/61/84/714146184.db2.gz QSGHECDBTKPLBT-NSHDSACASA-N 0 3 307.350 1.609 20 5 DDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923264705 714289312 /nfs/dbraw/zinc/28/93/12/714289312.db2.gz MFRKESDBCRHWAF-CFVMTHIKSA-N 0 3 319.361 1.323 20 5 DDBDHN COc1cc(C[NH2+]C[C@H]2CCC[C@H](O)C2)c([N+](=O)[O-])cc1[O-] ZINC001200691769 748320979 /nfs/dbraw/zinc/32/09/79/748320979.db2.gz HEWPVZFYRDEGRN-JQWIXIFHSA-N 0 3 310.350 1.950 20 5 DDBDHN Cc1ccnc(N2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169057117 762211303 /nfs/dbraw/zinc/21/13/03/762211303.db2.gz UYMHUMFZJLGLEG-KGLIPLIRSA-N 0 3 305.382 1.352 20 5 DDBDHN Cc1conc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001170317517 766247734 /nfs/dbraw/zinc/24/77/34/766247734.db2.gz BRDAWRHGIXSJKX-UHFFFAOYSA-N 0 3 318.333 1.801 20 5 DDBDHN CCN(CC)CC(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001110148755 775034894 /nfs/dbraw/zinc/03/48/94/775034894.db2.gz UNIJMLNDQODFKD-UHFFFAOYSA-N 0 3 321.381 1.392 20 5 DDBDHN CCCN(C)CC(=O)NCCNc1nc(C)ccc1[N+](=O)[O-] ZINC001093788017 775079584 /nfs/dbraw/zinc/07/95/84/775079584.db2.gz SJYWPHJUVMPSJX-UHFFFAOYSA-N 0 3 309.370 1.168 20 5 DDBDHN Cc1[nH]cnc1CC(=O)NCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001093777026 775101282 /nfs/dbraw/zinc/10/12/82/775101282.db2.gz RODOTNQYWQHGGL-UHFFFAOYSA-N 0 3 318.337 1.101 20 5 DDBDHN CCN(CC)CC(=O)NCCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001094441806 775878451 /nfs/dbraw/zinc/87/84/51/775878451.db2.gz CEEACXGKBPSYNB-UHFFFAOYSA-N 0 3 323.397 1.558 20 5 DDBDHN Cc1nc(=N)n([C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1CN ZINC001173230687 777064009 /nfs/dbraw/zinc/06/40/09/777064009.db2.gz UIZLCHPBNKJVNC-SNVBAGLBSA-N 0 3 301.350 1.842 20 5 DDBDHN NCc1cn(-c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)cn1 ZINC001154911177 861564268 /nfs/dbraw/zinc/56/42/68/861564268.db2.gz VILNILRJOPBJHE-UHFFFAOYSA-N 0 3 314.280 1.835 20 5 DDBDHN C[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@H](C)CN1 ZINC001121931335 858638440 /nfs/dbraw/zinc/63/84/40/858638440.db2.gz KVMKYGLJOVNOFP-GHMZBOCLSA-N 0 3 309.341 1.875 20 5 DDBDHN O=C(COC1CCCC1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001124097153 859577320 /nfs/dbraw/zinc/57/73/20/859577320.db2.gz PYSHMFOKFVNYBI-UHFFFAOYSA-N 0 3 321.377 1.760 20 5 DDBDHN Cc1cnn(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001124282277 859666578 /nfs/dbraw/zinc/66/65/78/859666578.db2.gz SWVTYGSTTXVLAC-UHFFFAOYSA-N 0 3 317.349 1.006 20 5 DDBDHN CN1CCC[C@@H](OCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224986809 881625227 /nfs/dbraw/zinc/62/52/27/881625227.db2.gz KKFKGSNVSNHFBG-CQSZACIVSA-N 0 3 308.334 1.749 20 5 DDBDHN O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCNC2(CC2)C1 ZINC001158933366 864983034 /nfs/dbraw/zinc/98/30/34/864983034.db2.gz NBOZBDQTLPUXRH-UHFFFAOYSA-N 0 3 304.137 1.634 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(N[C@H]2CCCC[C@@]23CNCCO3)n1 ZINC001163644738 868588939 /nfs/dbraw/zinc/58/89/39/868588939.db2.gz VNLSABRWKIYPJA-SWLSCSKDSA-N 0 3 322.365 1.712 20 5 DDBDHN CCN(CC)C(=O)[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001164622303 869331901 /nfs/dbraw/zinc/33/19/01/869331901.db2.gz FRWDOEVLZCUBRM-JTQLQIEISA-N 0 3 306.366 1.867 20 5 DDBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCCN1CCCC1 ZINC001318520731 872129022 /nfs/dbraw/zinc/12/90/22/872129022.db2.gz BDZVPIKWDXJIIN-UHFFFAOYSA-N 0 3 311.313 1.325 20 5 DDBDHN CN1CCCC[C@@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001349853100 875414462 /nfs/dbraw/zinc/41/44/62/875414462.db2.gz RYOREFOJXUUJMS-CYBMUJFWSA-N 0 3 309.341 1.877 20 5 DDBDHN CO[C@@H]1CCN(CCOc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001229492565 884008860 /nfs/dbraw/zinc/00/88/60/884008860.db2.gz YFRTWXNELOECQO-LLVKDONJSA-N 0 3 307.306 1.836 20 5 DDBDHN COC(=O)CO[C@H]1CCN([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254571274 896508502 /nfs/dbraw/zinc/50/85/02/896508502.db2.gz RMMZAFRBWLVADD-OCCSQVGLSA-N 0 3 322.361 1.790 20 5 DDBDHN CCN1CCN(CCC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC001264010867 900870617 /nfs/dbraw/zinc/87/06/17/900870617.db2.gz NJRNUDUVJQDELV-UHFFFAOYSA-N 0 3 320.393 1.869 20 5 DDBDHN COC[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000452102745 231301498 /nfs/dbraw/zinc/30/14/98/231301498.db2.gz LCHQKLZGTLFAJK-GFCCVEGCSA-N 0 3 321.377 1.942 20 5 DDBDHN CC(C)[C@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015500 185278331 /nfs/dbraw/zinc/27/83/31/185278331.db2.gz AGOAWGZKKZGNBY-NSHDSACASA-N 0 3 315.395 1.507 20 5 DDBDHN CN(CCc1ccccc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090517853 185299885 /nfs/dbraw/zinc/29/98/85/185299885.db2.gz HYLMZLSMASNSGA-UHFFFAOYSA-N 0 3 301.346 1.931 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000330860128 232119314 /nfs/dbraw/zinc/11/93/14/232119314.db2.gz VWMOXXFDSLBUBO-RDBSUJKOSA-N 0 3 323.393 1.359 20 5 DDBDHN C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272670163 210074611 /nfs/dbraw/zinc/07/46/11/210074611.db2.gz IRMJIGQWFFQMCZ-GFCCVEGCSA-N 0 3 303.362 1.904 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCOC2CCCC2)c1 ZINC000564843665 304018670 /nfs/dbraw/zinc/01/86/70/304018670.db2.gz FBGQRWGVLOBGAG-AWEZNQCLSA-N 0 3 324.377 1.883 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC2CCN(C3CC3)CC2)n1 ZINC000617399809 363088451 /nfs/dbraw/zinc/08/84/51/363088451.db2.gz SJHSUVGHHHHBEC-UHFFFAOYSA-N 0 3 307.354 1.168 20 5 DDBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])c[nH]1)Cc1ccccc1 ZINC000053349128 352649196 /nfs/dbraw/zinc/64/91/96/352649196.db2.gz ADNPMECTRDTKCL-UHFFFAOYSA-N 0 3 302.334 1.785 20 5 DDBDHN O=[N+]([O-])c1cnccc1N1CCC(CN2CCOCC2)CC1 ZINC000066809240 353017910 /nfs/dbraw/zinc/01/79/10/353017910.db2.gz HMRWCBONSFWUDE-UHFFFAOYSA-N 0 3 306.366 1.538 20 5 DDBDHN C[C@@H]1CCCN(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000068121573 353090084 /nfs/dbraw/zinc/09/00/84/353090084.db2.gz RLWHLALOPASPPU-SNVBAGLBSA-N 0 3 324.356 1.778 20 5 DDBDHN O=C1C[C@]2(CN1)CCCN(CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000072829659 353218840 /nfs/dbraw/zinc/21/88/40/353218840.db2.gz CSMAPWHZDNIVAB-INIZCTEOSA-N 0 3 319.361 1.576 20 5 DDBDHN Cc1ccc(CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000075712777 353377076 /nfs/dbraw/zinc/37/70/76/353377076.db2.gz UXOFPUZTJBCWPH-GFCCVEGCSA-N 0 3 310.379 1.654 20 5 DDBDHN CC(C)N1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182206824 199403368 /nfs/dbraw/zinc/40/33/68/199403368.db2.gz QYMVZDBYNQHBEN-CQSZACIVSA-N 0 3 323.393 1.361 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](C)[C@H](O)C1 ZINC000093344417 353897786 /nfs/dbraw/zinc/89/77/86/353897786.db2.gz LIASSDBOXRMLCT-IAQYHMDHSA-N 0 3 321.377 1.935 20 5 DDBDHN CCN1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC)C1 ZINC000112076009 353970068 /nfs/dbraw/zinc/97/00/68/353970068.db2.gz FVBVSYNSQNCSJO-NSHDSACASA-N 0 3 306.366 1.851 20 5 DDBDHN Cn1cc([C@H](CO)NCCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000275139596 354411733 /nfs/dbraw/zinc/41/17/33/354411733.db2.gz DLQNAZTWUKRRJW-HNNXBMFYSA-N 0 3 320.349 1.420 20 5 DDBDHN COCCN(C)C[C@H](O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000314680325 354488140 /nfs/dbraw/zinc/48/81/40/354488140.db2.gz KEDSNWKMENDEPL-NSHDSACASA-N 0 3 302.302 1.052 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(F)c(F)c2)c1 ZINC000314981649 354489867 /nfs/dbraw/zinc/48/98/67/354489867.db2.gz PCNMRGNALWIBMF-NSHDSACASA-N 0 3 312.276 1.220 20 5 DDBDHN CCOc1cc(N2CCO[C@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000585783575 354842145 /nfs/dbraw/zinc/84/21/45/354842145.db2.gz BDAHJNKVCRXLMR-GJZGRUSLSA-N 0 3 321.377 1.903 20 5 DDBDHN CCc1nn(C)c(N(C)C[C@@H]2C[C@H](OC)CN2C)c1[N+](=O)[O-] ZINC000585783566 354842340 /nfs/dbraw/zinc/84/23/40/354842340.db2.gz ZKBDNQWBESZSMG-QWRGUYRKSA-N 0 3 311.386 1.046 20 5 DDBDHN CCN1C[C@@H](C)N(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@@H]1C ZINC000588009278 354893489 /nfs/dbraw/zinc/89/34/89/354893489.db2.gz DSMJUAXWGLCCQJ-WDEREUQCSA-N 0 3 308.382 1.588 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@@H]2C1 ZINC000590044701 355043223 /nfs/dbraw/zinc/04/32/23/355043223.db2.gz MFTWICXGYRRWNP-SMDDNHRTSA-N 0 3 314.345 1.852 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@H](O)[C@H](CO)C2)cc1 ZINC000591054809 355238478 /nfs/dbraw/zinc/23/84/78/355238478.db2.gz DNSXFDCRCPXOCS-WFASDCNBSA-N 0 3 310.350 1.039 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](CO)C(C)(C)C)c1 ZINC000593027642 355773748 /nfs/dbraw/zinc/77/37/48/355773748.db2.gz UZMQWQAPTBFEBT-ZDUSSCGKSA-N 0 3 310.350 1.878 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1N1CCN(CCN(C)C)C(=O)C1 ZINC000593486200 355900486 /nfs/dbraw/zinc/90/04/86/355900486.db2.gz PPHGFPSZQXNYHU-UHFFFAOYSA-N 0 3 306.366 1.113 20 5 DDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594600568 356261378 /nfs/dbraw/zinc/26/13/78/356261378.db2.gz MFEFLQSWRUFQBP-OLZOCXBDSA-N 0 3 319.365 1.518 20 5 DDBDHN COCC1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000594515395 356241457 /nfs/dbraw/zinc/24/14/57/356241457.db2.gz POKATBXUXWHWGX-UHFFFAOYSA-N 0 3 308.334 1.882 20 5 DDBDHN C[C@H](CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000594817530 356327095 /nfs/dbraw/zinc/32/70/95/356327095.db2.gz SEMNCXNMFNIGAM-SNVBAGLBSA-N 0 3 301.368 1.213 20 5 DDBDHN Cc1ccc([C@@H](C)NC[C@@]2(OCCO)CCOC2)cc1[N+](=O)[O-] ZINC000595078283 356378874 /nfs/dbraw/zinc/37/88/74/356378874.db2.gz OLYZNZJLIJNNSY-CJNGLKHVSA-N 0 3 324.377 1.722 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H](CO)CN(C)C ZINC000596245019 356830615 /nfs/dbraw/zinc/83/06/15/356830615.db2.gz VBGLBKYYIRHBTF-SNVBAGLBSA-N 0 3 311.338 1.024 20 5 DDBDHN CN1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)[C@@H]2C1 ZINC000596280994 356843721 /nfs/dbraw/zinc/84/37/21/356843721.db2.gz GWDIGRKYKQKTQO-IINYFYTJSA-N 0 3 304.350 1.224 20 5 DDBDHN CC[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C[C@H](C)N1 ZINC000598531067 357622467 /nfs/dbraw/zinc/62/24/67/357622467.db2.gz FPFNQZIAEGLLKM-QWHCGFSZSA-N 0 3 321.377 1.881 20 5 DDBDHN COC(=O)c1ccnc(NC[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000598594798 357645048 /nfs/dbraw/zinc/64/50/48/357645048.db2.gz CSUMCRDCUQZKIP-JTQLQIEISA-N 0 3 308.338 1.530 20 5 DDBDHN NC(=O)NC(=O)CCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000179242432 283301715 /nfs/dbraw/zinc/30/17/15/283301715.db2.gz QCEPITNGUMCBDZ-UHFFFAOYSA-N 0 3 320.349 1.534 20 5 DDBDHN O=C(NC[C@@H]1CCN1C1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000600473128 358234420 /nfs/dbraw/zinc/23/44/20/358234420.db2.gz RFDADZSXFJXQNO-LBPRGKRZSA-N 0 3 304.350 1.737 20 5 DDBDHN CN1CCC[C@H]1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601109811 358405664 /nfs/dbraw/zinc/40/56/64/358405664.db2.gz ZPXLFDRYGWENPJ-ZETCQYMHSA-N 0 3 307.276 1.853 20 5 DDBDHN COc1ccc(CNCC2([S@@](C)=O)CCC2)cc1[N+](=O)[O-] ZINC000280687431 215794039 /nfs/dbraw/zinc/79/40/39/215794039.db2.gz RGNGDYFEFLCBPG-OAQYLSRUSA-N 0 3 312.391 1.994 20 5 DDBDHN COCCN(CCN(C)C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601040363 358390385 /nfs/dbraw/zinc/39/03/85/358390385.db2.gz WUZOQAOSQPORAK-UHFFFAOYSA-N 0 3 313.329 1.384 20 5 DDBDHN CN(C)CCN(Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccn1 ZINC000602656724 359105312 /nfs/dbraw/zinc/10/53/12/359105312.db2.gz LTFWUTWTAYEVBB-UHFFFAOYSA-N 0 3 318.381 1.287 20 5 DDBDHN C[C@@]12CN(Cc3ccc([N+](=O)[O-])cc3)C[C@@]1(C)C(=O)NC2=O ZINC000602731568 359153946 /nfs/dbraw/zinc/15/39/46/359153946.db2.gz NHPPDELJUKVNEZ-GJZGRUSLSA-N 0 3 303.318 1.079 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(N(C)C)CC1 ZINC000602760646 359171912 /nfs/dbraw/zinc/17/19/12/359171912.db2.gz ZECIBUPHGJOISR-UHFFFAOYSA-N 0 3 308.338 1.819 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H](CO)Cc1ccccc1 ZINC000602882357 359265778 /nfs/dbraw/zinc/26/57/78/359265778.db2.gz DDFNIVIKCKZGLR-OAHLLOKOSA-N 0 3 318.377 1.635 20 5 DDBDHN CCN(C(=O)Nc1c(C)cncc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000602959757 359322933 /nfs/dbraw/zinc/32/29/33/359322933.db2.gz FUJNKGFHRZJZBE-LLVKDONJSA-N 0 3 307.354 1.278 20 5 DDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000188280582 200221153 /nfs/dbraw/zinc/22/11/53/200221153.db2.gz PLZOFRMPFUXKBM-YPMHNXCESA-N 0 3 318.377 1.876 20 5 DDBDHN CC[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000281291888 216215811 /nfs/dbraw/zinc/21/58/11/216215811.db2.gz GXTOBPPXXVPZPQ-ZIAGYGMSSA-N 0 3 324.377 1.835 20 5 DDBDHN COC[C@H]1CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612086272 360914285 /nfs/dbraw/zinc/91/42/85/360914285.db2.gz LVWZMVSICSKQBS-CHWSQXEVSA-N 0 3 310.350 1.445 20 5 DDBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000612086863 360914910 /nfs/dbraw/zinc/91/49/10/360914910.db2.gz YZYIHLRJYCOCLA-TZMCWYRMSA-N 0 3 310.350 1.037 20 5 DDBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCN2CCC[C@@H]2C1 ZINC000195326869 201379165 /nfs/dbraw/zinc/37/91/65/201379165.db2.gz UEOCNYZSSCMWGM-CYBMUJFWSA-N 0 3 321.402 1.994 20 5 DDBDHN C[C@H](Cn1cccn1)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000264887428 204240448 /nfs/dbraw/zinc/24/04/48/204240448.db2.gz SKAVQUWZVZPWHH-VXGBXAGGSA-N 0 3 317.349 1.797 20 5 DDBDHN C[C@@H]([NH2+]CCCOC([O-])=NC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000271728268 209162202 /nfs/dbraw/zinc/16/22/02/209162202.db2.gz YBWYDDASNTWPTM-SECBINFHSA-N 0 3 310.310 1.440 20 5 DDBDHN C[C@@H]([NH2+]CCCOC(=O)N=C(N)[O-])c1cccc([N+](=O)[O-])c1 ZINC000271728268 209162205 /nfs/dbraw/zinc/16/22/05/209162205.db2.gz YBWYDDASNTWPTM-SECBINFHSA-N 0 3 310.310 1.440 20 5 DDBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000266320089 205264879 /nfs/dbraw/zinc/26/48/79/205264879.db2.gz RVGDKYMPBQVQQS-WOPDTQHZSA-N 0 3 307.350 1.936 20 5 DDBDHN CN(CCN(C)c1ccccc1)CCn1cc([N+](=O)[O-])cn1 ZINC000174853150 248384504 /nfs/dbraw/zinc/38/45/04/248384504.db2.gz JTOKOZHUGMJJJR-UHFFFAOYSA-N 0 3 303.366 1.860 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](O)C1 ZINC000041886295 183223395 /nfs/dbraw/zinc/22/33/95/183223395.db2.gz ASFZPMFNPXFVGB-GFCCVEGCSA-N 0 3 323.349 1.389 20 5 DDBDHN CCN1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000042590525 183288509 /nfs/dbraw/zinc/28/85/09/183288509.db2.gz FXTBUQVFWZXZMY-UHFFFAOYSA-N 0 3 320.393 1.271 20 5 DDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H](CO)CN1CCCCC1 ZINC000288586683 220263212 /nfs/dbraw/zinc/26/32/12/220263212.db2.gz SAUZCLRRRAIMAF-AWEZNQCLSA-N 0 3 321.377 1.100 20 5 DDBDHN Cc1c(C(=O)NC[C@@H]2CCN(C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000110651845 194346478 /nfs/dbraw/zinc/34/64/78/194346478.db2.gz AXOBJQPQBUUAFI-JTQLQIEISA-N 0 3 322.321 1.493 20 5 DDBDHN Cc1cc(NC[C@H](O)[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000340780846 251208722 /nfs/dbraw/zinc/20/87/22/251208722.db2.gz QGBXFZBCISOBRY-BZNIZROVSA-N 0 3 317.345 1.683 20 5 DDBDHN CN(C(=O)CN[C@@H](CO)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000359787103 299538481 /nfs/dbraw/zinc/53/84/81/299538481.db2.gz COZSFCRNZFWXSK-ZDUSSCGKSA-N 0 3 309.366 1.554 20 5 DDBDHN O=[N+]([O-])c1cnc2ccc(N3CC[C@@H](N4CCCC4)C3)nn21 ZINC000301956233 285185639 /nfs/dbraw/zinc/18/56/39/285185639.db2.gz FLFDEWGQOQPLGF-LLVKDONJSA-N 0 3 302.338 1.312 20 5 DDBDHN COC[C@]1(C(=O)OC)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000294939658 533217547 /nfs/dbraw/zinc/21/75/47/533217547.db2.gz CCWLTWPMDCNIPW-HNNXBMFYSA-N 0 3 308.334 1.606 20 5 DDBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCCN1CCC(O)CC1 ZINC000294873998 224279677 /nfs/dbraw/zinc/27/96/77/224279677.db2.gz PKSMANDIGJVHMV-UHFFFAOYSA-N 0 3 313.785 1.795 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCN1C ZINC000330889569 533599198 /nfs/dbraw/zinc/59/91/98/533599198.db2.gz BMNRAYCQQARCQI-MNOVXSKESA-N 0 3 309.370 1.125 20 5 DDBDHN COc1cnccc1N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000360241304 299618341 /nfs/dbraw/zinc/61/83/41/299618341.db2.gz JBAJJABLFRIDBP-UHFFFAOYSA-N 0 3 315.333 1.720 20 5 DDBDHN C[C@@H]1C[C@@H](O)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000452095061 533675176 /nfs/dbraw/zinc/67/51/76/533675176.db2.gz KOTBOXWRTBVDEL-BNOWGMLFSA-N 0 3 310.350 1.037 20 5 DDBDHN COC(=O)COc1ccc(CN[C@H]2CO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000569845074 304382299 /nfs/dbraw/zinc/38/22/99/304382299.db2.gz MTNKSPBELRJTSX-ZYHUDNBSSA-N 0 3 324.333 1.414 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000266093137 292282430 /nfs/dbraw/zinc/28/24/30/292282430.db2.gz AMIFHUSIHXPCMD-LBPRGKRZSA-N 0 3 307.350 1.306 20 5 DDBDHN CN(C)[C@@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000128722332 407567488 /nfs/dbraw/zinc/56/74/88/407567488.db2.gz NLIUCLIELUIJEF-CYBMUJFWSA-N 0 3 316.361 1.781 20 5 DDBDHN C[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000053712451 407172561 /nfs/dbraw/zinc/17/25/61/407172561.db2.gz DRXCZSIFUMQYDM-OCAPTIKFSA-N 0 3 315.171 1.939 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC[NH2+]C1CC1 ZINC000054266972 407181691 /nfs/dbraw/zinc/18/16/91/407181691.db2.gz KZYCNBAHDWETDO-UHFFFAOYSA-N 0 3 319.770 1.279 20 5 DDBDHN COc1ccc(OCCN2CCC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000124569770 407362144 /nfs/dbraw/zinc/36/21/44/407362144.db2.gz SGFUAXNSFBZDOJ-OAHLLOKOSA-N 0 3 310.350 1.829 20 5 DDBDHN COCC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000112355913 407427609 /nfs/dbraw/zinc/42/76/09/407427609.db2.gz MGHMNMDURWMAMD-HNNXBMFYSA-N 0 3 324.377 1.693 20 5 DDBDHN CC[C@H]1CCCCN1CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000113196894 407473789 /nfs/dbraw/zinc/47/37/89/407473789.db2.gz XEXCATKZZGNSFQ-LBPRGKRZSA-N 0 3 323.397 1.631 20 5 DDBDHN C[C@@H](NC[C@@H](C)N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000127717184 407456951 /nfs/dbraw/zinc/45/69/51/407456951.db2.gz NRILAAWMYZHLJG-ZIAGYGMSSA-N 0 3 306.410 1.881 20 5 DDBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@H](O)C3)o2)c1 ZINC000114470345 407577958 /nfs/dbraw/zinc/57/79/58/407577958.db2.gz CVIKAMVRXSSHBD-ZDUSSCGKSA-N 0 3 303.318 1.859 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC2(c3ccccc3)CC2)c1 ZINC000266730803 407613820 /nfs/dbraw/zinc/61/38/20/407613820.db2.gz KMMHIKBNHPJQJN-CQSZACIVSA-N 0 3 302.334 1.431 20 5 DDBDHN CCc1n[n-]c(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000171804068 407770635 /nfs/dbraw/zinc/77/06/35/407770635.db2.gz FOJNVNBWKUVECF-VIFPVBQESA-N 0 3 320.353 1.451 20 5 DDBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H](N2CCCCCC2)C1 ZINC000153689747 407880935 /nfs/dbraw/zinc/88/09/35/407880935.db2.gz DGIXUTHQSRTRDQ-GFCCVEGCSA-N 0 3 321.381 1.799 20 5 DDBDHN Cc1c(CC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000272520991 407961434 /nfs/dbraw/zinc/96/14/34/407961434.db2.gz PWWGFRJQIGPQFO-XJKSGUPXSA-N 0 3 317.389 1.998 20 5 DDBDHN CN(C)C1(CN(C)C(=O)CNc2ccccc2[N+](=O)[O-])CCC1 ZINC000189517079 408038463 /nfs/dbraw/zinc/03/84/63/408038463.db2.gz DOUCUVTYSFOSLY-UHFFFAOYSA-N 0 3 320.393 1.949 20 5 DDBDHN C[C@H](CS(C)(=O)=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272564460 407986205 /nfs/dbraw/zinc/98/62/05/407986205.db2.gz FENIVWAFVWKIPZ-SECBINFHSA-N 0 3 320.798 1.813 20 5 DDBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000268341387 408006322 /nfs/dbraw/zinc/00/63/22/408006322.db2.gz CIVBIGQIRZWLGB-UHFFFAOYSA-N 0 3 321.377 1.677 20 5 DDBDHN Cc1cc(C(=O)N2CCN(CCN(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000147435312 408189423 /nfs/dbraw/zinc/18/94/23/408189423.db2.gz DKGNOCDXSKNWPL-UHFFFAOYSA-N 0 3 320.393 1.223 20 5 DDBDHN COCC[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273493835 408224443 /nfs/dbraw/zinc/22/44/43/408224443.db2.gz XJEGLZWTWDKQJQ-LLVKDONJSA-N 0 3 316.379 1.383 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269333248 408271422 /nfs/dbraw/zinc/27/14/22/408271422.db2.gz ATGZKHRKRVHBSG-QWRGUYRKSA-N 0 3 323.397 1.996 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269333248 408271425 /nfs/dbraw/zinc/27/14/25/408271425.db2.gz ATGZKHRKRVHBSG-QWRGUYRKSA-N 0 3 323.397 1.996 20 5 DDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@@H](O)CN1CCOCC1 ZINC000274244928 408339277 /nfs/dbraw/zinc/33/92/77/408339277.db2.gz SNWGRWSVIZJDAK-CZUORRHYSA-N 0 3 323.393 1.281 20 5 DDBDHN NC(=O)C[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269631599 408367643 /nfs/dbraw/zinc/36/76/43/408367643.db2.gz FWXWSESOKRYCRB-RISCZKNCSA-N 0 3 307.350 1.216 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000177144811 408534604 /nfs/dbraw/zinc/53/46/04/408534604.db2.gz YYCGSTDKPLKFKD-ZJUUUORDSA-N 0 3 321.381 1.625 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC1CCN(CCOC)CC1 ZINC000192531471 163227154 /nfs/dbraw/zinc/22/71/54/163227154.db2.gz NHQHFLCTBSZZPY-UHFFFAOYSA-N 0 3 311.386 1.642 20 5 DDBDHN Nc1c(C(=O)NC[C@@H]2CCCCN2C2CC2)cccc1[N+](=O)[O-] ZINC000277610463 408977661 /nfs/dbraw/zinc/97/76/61/408977661.db2.gz VFTQPMXPGQPLQU-LBPRGKRZSA-N 0 3 318.377 1.924 20 5 DDBDHN COC(=O)c1cc(C)nc(N2CC[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000287946343 409119874 /nfs/dbraw/zinc/11/98/74/409119874.db2.gz QDGHLYSWFNMKBE-SNVBAGLBSA-N 0 3 308.338 1.225 20 5 DDBDHN COc1ccc(OCCN2CCC[C@@H](O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000295094888 409321094 /nfs/dbraw/zinc/32/10/94/409321094.db2.gz AKOIHAMSFCFIRT-BXUZGUMPSA-N 0 3 310.350 1.827 20 5 DDBDHN Cc1ccc(CN(C)[C@H]2CCN3CCO[C@H]2C3)cc1[N+](=O)[O-] ZINC000295135109 409337290 /nfs/dbraw/zinc/33/72/90/409337290.db2.gz PAJALHKMOURMLX-HOCLYGCPSA-N 0 3 305.378 1.808 20 5 DDBDHN CCOC1CC(O)(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000285374822 409416525 /nfs/dbraw/zinc/41/65/25/409416525.db2.gz WDPLCGHZLTUKQC-CKQAKLJMSA-N 0 3 309.366 1.758 20 5 DDBDHN C[C@@H](CN1CCC[C@H](C)C1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290684383 409486876 /nfs/dbraw/zinc/48/68/76/409486876.db2.gz SUOMGKJCRMMDKA-QWRGUYRKSA-N 0 3 321.381 1.621 20 5 DDBDHN COC(=O)COc1ccc(CNC[C@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000348999188 409639991 /nfs/dbraw/zinc/63/99/91/409639991.db2.gz DYSZKBHEEUHDQL-ZDUSSCGKSA-N 0 3 324.333 1.007 20 5 DDBDHN CN(CCC(=O)N1CCOCC1)CCc1cccc([N+](=O)[O-])c1 ZINC000338360544 409939428 /nfs/dbraw/zinc/93/94/28/409939428.db2.gz OGAADUAPZNPDPV-UHFFFAOYSA-N 0 3 321.377 1.318 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCCC2)c1 ZINC000338502123 410026257 /nfs/dbraw/zinc/02/62/57/410026257.db2.gz VWGOHJCMLYGEIJ-UHFFFAOYSA-N 0 3 307.350 1.819 20 5 DDBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000352185435 410530264 /nfs/dbraw/zinc/53/02/64/410530264.db2.gz CJMXVBAGUNIJFI-OLZOCXBDSA-N 0 3 310.350 1.445 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCCN1C ZINC000355924341 410735961 /nfs/dbraw/zinc/73/59/61/410735961.db2.gz ZBDOFTHHXBSYOZ-SKDRFNHKSA-N 0 3 317.349 1.684 20 5 DDBDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000348180933 410839768 /nfs/dbraw/zinc/83/97/68/410839768.db2.gz IZPXADJUXWCLMG-VXGBXAGGSA-N 0 3 307.350 1.608 20 5 DDBDHN COc1ccc(OCCN(C)CC2(O)CCC2)c([N+](=O)[O-])c1 ZINC000353525009 411046048 /nfs/dbraw/zinc/04/60/48/411046048.db2.gz RLKSVLSYMDBDSG-UHFFFAOYSA-N 0 3 310.350 1.829 20 5 DDBDHN CC1(C)CCCN(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000331280261 411054827 /nfs/dbraw/zinc/05/48/27/411054827.db2.gz BKNQZXADBJHESF-UHFFFAOYSA-N 0 3 309.370 1.030 20 5 DDBDHN CN(C)CCOC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000353798693 411131228 /nfs/dbraw/zinc/13/12/28/411131228.db2.gz AWVVZTVKMXMKBH-UHFFFAOYSA-N 0 3 321.377 1.778 20 5 DDBDHN C[C@]1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000129163488 196025125 /nfs/dbraw/zinc/02/51/25/196025125.db2.gz VJHOMNOWNJQNGE-ZDUSSCGKSA-N 0 3 313.379 1.263 20 5 DDBDHN O=[N+]([O-])c1ccccc1CN1CC[C@H](CN2CCOCC2)C1 ZINC000129574622 196058953 /nfs/dbraw/zinc/05/89/53/196058953.db2.gz BPRXYBZLLXHNCM-CQSZACIVSA-N 0 3 305.378 1.749 20 5 DDBDHN O=[N+]([O-])c1ccn(C2CCN(CCOC[C@H]3CCCO3)CC2)n1 ZINC000580145132 422893021 /nfs/dbraw/zinc/89/30/21/422893021.db2.gz VYSIGRKHZWICRN-CQSZACIVSA-N 0 3 324.381 1.624 20 5 DDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC(=O)NCC(F)F ZINC000360773344 418514185 /nfs/dbraw/zinc/51/41/85/418514185.db2.gz RJYDJAKLVLMKQR-YHYXMXQVSA-N 0 3 313.304 1.969 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000338646336 418620441 /nfs/dbraw/zinc/62/04/41/418620441.db2.gz DMIQSPHIKAIOKV-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN CN1CC[C@@]2(CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)C1 ZINC000368299410 418716804 /nfs/dbraw/zinc/71/68/04/418716804.db2.gz OHZPRWDFONGXRI-CQSZACIVSA-N 0 3 302.338 1.170 20 5 DDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F ZINC000383322475 418733452 /nfs/dbraw/zinc/73/34/52/418733452.db2.gz SIGIPRJEHIPWSI-QMMMGPOBSA-N 0 3 323.321 1.164 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(F)cc2F)c1 ZINC000385881148 418738491 /nfs/dbraw/zinc/73/84/91/418738491.db2.gz LSBAJLGLTNLNDZ-GFCCVEGCSA-N 0 3 312.276 1.220 20 5 DDBDHN COc1ccc(CNC(=O)[C@H]2C[C@@H](C)CCN2)cc1[N+](=O)[O-] ZINC000423055129 227328895 /nfs/dbraw/zinc/32/88/95/227328895.db2.gz CSWIQWSTCSROEK-CMPLNLGQSA-N 0 3 307.350 1.608 20 5 DDBDHN NC(=O)c1ccc(CN2CC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000372155905 418841088 /nfs/dbraw/zinc/84/10/88/418841088.db2.gz HVBCRMVCOPUPMB-GXTWGEPZSA-N 0 3 319.361 1.552 20 5 DDBDHN C[C@H]1CCNC(=O)[C@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411698892 419383884 /nfs/dbraw/zinc/38/38/84/419383884.db2.gz VRVZMDXOKGOWMS-HZMBPMFUSA-N 0 3 320.349 1.038 20 5 DDBDHN C[C@@H]1CCNC(=O)[C@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411698895 419383900 /nfs/dbraw/zinc/38/39/00/419383900.db2.gz VRVZMDXOKGOWMS-YGRLFVJLSA-N 0 3 320.349 1.038 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1CNC(C)(C)CN1CCOCC1 ZINC000412000242 419558004 /nfs/dbraw/zinc/55/80/04/419558004.db2.gz VMDBGAMVRFZXHX-UHFFFAOYSA-N 0 3 323.393 1.804 20 5 DDBDHN CC(C)[C@H]1N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000427188145 419613923 /nfs/dbraw/zinc/61/39/23/419613923.db2.gz WZAHFBFQEGKILY-UONOGXRCSA-N 0 3 308.382 1.663 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCNc1ccncc1 ZINC000427948231 419771658 /nfs/dbraw/zinc/77/16/58/419771658.db2.gz UZIAOZNKEMVUEO-UHFFFAOYSA-N 0 3 316.317 1.262 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(C(C)C)C2)n1 ZINC000427705078 419716818 /nfs/dbraw/zinc/71/68/18/419716818.db2.gz GYYIJRJCVAPKQI-NSHDSACASA-N 0 3 309.370 1.414 20 5 DDBDHN Cc1c(CC(=O)N[C@H]2CNCCC2(F)F)cccc1[N+](=O)[O-] ZINC000423700019 420131709 /nfs/dbraw/zinc/13/17/09/420131709.db2.gz RLGUDMINSUWRSJ-LBPRGKRZSA-N 0 3 313.304 1.559 20 5 DDBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CNCCC1(F)F ZINC000415491589 420088701 /nfs/dbraw/zinc/08/87/01/420088701.db2.gz BAFHFUAGBZFHEC-SNVBAGLBSA-N 0 3 300.265 1.714 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCC[C@H]1C(N)=O ZINC000430216875 420092850 /nfs/dbraw/zinc/09/28/50/420092850.db2.gz JKIWCDLJTOVJQE-CHWSQXEVSA-N 0 3 307.350 1.737 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN[C@@H](C)C1 ZINC000420343486 420222819 /nfs/dbraw/zinc/22/28/19/420222819.db2.gz ZKCNGBBHTDJSOM-QWRGUYRKSA-N 0 3 322.365 1.224 20 5 DDBDHN C[C@@H](CN1CCCCC1)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420580196 420321581 /nfs/dbraw/zinc/32/15/81/420321581.db2.gz CAKBAOIMFAXFQU-NSHDSACASA-N 0 3 306.366 1.980 20 5 DDBDHN C[C@@H]1C[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CN1C1CC1 ZINC000420600840 420327684 /nfs/dbraw/zinc/32/76/84/420327684.db2.gz MTBCDJAUEDAGPE-ZJUUUORDSA-N 0 3 304.350 1.731 20 5 DDBDHN CCOC(=O)c1ccnc(N(C)C[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000420633029 420336754 /nfs/dbraw/zinc/33/67/54/420336754.db2.gz IQPMOTRQXCHRBV-LLVKDONJSA-N 0 3 322.365 1.697 20 5 DDBDHN CN(C)CCOC1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000443511775 230016087 /nfs/dbraw/zinc/01/60/87/230016087.db2.gz RHOIUZXXLFLVKV-UHFFFAOYSA-N 0 3 300.384 1.598 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCN2CCC[C@@H](C)C2)n1 ZINC000439102213 420479916 /nfs/dbraw/zinc/47/99/16/420479916.db2.gz SLOOTAAGRDMNBY-LLVKDONJSA-N 0 3 322.365 1.920 20 5 DDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)NCCNc1ccncc1 ZINC000446734197 420765893 /nfs/dbraw/zinc/76/58/93/420765893.db2.gz JTBSSMGKDQDJAI-UHFFFAOYSA-N 0 3 314.345 1.573 20 5 DDBDHN CC(C)[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCN1C ZINC000487956635 421058951 /nfs/dbraw/zinc/05/89/51/421058951.db2.gz VXQSIRKXGIBNQC-CQSZACIVSA-N 0 3 308.382 1.029 20 5 DDBDHN Cn1c(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000495123618 421007524 /nfs/dbraw/zinc/00/75/24/421007524.db2.gz VELDELJYKJMJJZ-VXGBXAGGSA-N 0 3 306.366 1.490 20 5 DDBDHN CNc1nc(C(=O)N[C@@H]2CCCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000456017552 421089702 /nfs/dbraw/zinc/08/97/02/421089702.db2.gz ZBKHHBNCDGUFIE-VHSXEESVSA-N 0 3 307.354 1.244 20 5 DDBDHN Cc1nc(NC2CCN(CCOC(C)C)CC2)ncc1[N+](=O)[O-] ZINC000450362540 421188439 /nfs/dbraw/zinc/18/84/39/421188439.db2.gz GNPDEJIURCEKJC-UHFFFAOYSA-N 0 3 323.397 1.995 20 5 DDBDHN C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)N(C)C1CC1 ZINC000524359404 421258885 /nfs/dbraw/zinc/25/88/85/421258885.db2.gz SUFDPVCYNDQZKS-VIFPVBQESA-N 0 3 321.333 1.536 20 5 DDBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547755800 421363149 /nfs/dbraw/zinc/36/31/49/421363149.db2.gz AFWFOVWHCOSHSN-OUAUKWLOSA-N 0 3 309.370 1.414 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C[C@H](C)[NH3+])c1C ZINC000570842559 421673779 /nfs/dbraw/zinc/67/37/79/421673779.db2.gz PAPFBWVYIDEGBH-VHSXEESVSA-N 0 3 315.395 1.616 20 5 DDBDHN Cc1[nH]nc(C(=O)[N-]c2nc3c(s2)C[C@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC000343448875 271775204 /nfs/dbraw/zinc/77/52/04/271775204.db2.gz CKUBIJKFHOUOCJ-ZCFIWIBFSA-N 0 3 322.350 1.151 20 5 DDBDHN CN(C)C/C=C\C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000493288761 273790326 /nfs/dbraw/zinc/79/03/26/273790326.db2.gz GYTMPOCZYAQQSD-ARJAWSKDSA-N 0 3 305.334 1.434 20 5 DDBDHN COCCOC1(CNCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000294898818 274036683 /nfs/dbraw/zinc/03/66/83/274036683.db2.gz XAWMGZNWYQQMCS-UHFFFAOYSA-N 0 3 324.377 1.897 20 5 DDBDHN CCN(CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])C1CC1 ZINC000269453989 276348684 /nfs/dbraw/zinc/34/86/84/276348684.db2.gz RMIMCQUQZNGURQ-UHFFFAOYSA-N 0 3 309.370 1.655 20 5 DDBDHN CN1CCC[C@]2(CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C2)C1 ZINC000338745489 277087269 /nfs/dbraw/zinc/08/72/69/277087269.db2.gz NRNFZRVTPWPINX-INIZCTEOSA-N 0 3 318.377 1.616 20 5 DDBDHN C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000357965271 299034996 /nfs/dbraw/zinc/03/49/96/299034996.db2.gz QTTVCIBXTITYGH-QWRGUYRKSA-N 0 3 309.370 1.321 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CC[C@H](N3CC=CC3)C2)c2nonc21 ZINC000364296466 300371300 /nfs/dbraw/zinc/37/13/00/300371300.db2.gz CLFIVMXLFCAEQO-JTQLQIEISA-N 0 3 301.306 1.582 20 5 DDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc([N+](=O)[O-])cc1Cl ZINC000368385505 301016110 /nfs/dbraw/zinc/01/61/10/301016110.db2.gz ORHGZYRFFXWQFK-YUMQZZPRSA-N 0 3 301.705 1.678 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000368590609 301060025 /nfs/dbraw/zinc/06/00/25/301060025.db2.gz KZNRBRWFFIZYPJ-XHDPSFHLSA-N 0 3 319.361 1.770 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000368596676 301061109 /nfs/dbraw/zinc/06/11/09/301061109.db2.gz VVHQXTMTTFQXKN-WFASDCNBSA-N 0 3 303.362 1.690 20 5 DDBDHN CCOCC[C@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369681410 301211814 /nfs/dbraw/zinc/21/18/14/301211814.db2.gz LKUQNKXXSNEADO-ZDUSSCGKSA-N 0 3 312.370 1.216 20 5 DDBDHN COC[C@@H]1CCCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000369946821 301245315 /nfs/dbraw/zinc/24/53/15/301245315.db2.gz COEHPQJDQYTXPG-CYBMUJFWSA-N 0 3 309.366 1.505 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC2(c3ccc(F)cc3)CC2)c1 ZINC000440293009 302390006 /nfs/dbraw/zinc/39/00/06/302390006.db2.gz OUEZLNWKODQOAF-AWEZNQCLSA-N 0 3 320.324 1.570 20 5 DDBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356727681 306861666 /nfs/dbraw/zinc/86/16/66/306861666.db2.gz DDTCSIWCEYQWQV-UHFFFAOYSA-N 0 3 317.349 1.951 20 5 DDBDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532144532 303277205 /nfs/dbraw/zinc/27/72/05/303277205.db2.gz DVOVTOPTIUOTAF-GFCCVEGCSA-N 0 3 306.366 1.984 20 5 DDBDHN COC[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000542524880 303441295 /nfs/dbraw/zinc/44/12/95/303441295.db2.gz DQOWAOZUNVUYJM-GJZGRUSLSA-N 0 3 321.377 1.961 20 5 DDBDHN CC(C)N(C)C(=O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000358259244 306936497 /nfs/dbraw/zinc/93/64/97/306936497.db2.gz GYIZIWLUYXAYPD-UHFFFAOYSA-N 0 3 323.397 1.370 20 5 DDBDHN CC(C)(O)CN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000366678381 307079452 /nfs/dbraw/zinc/07/94/52/307079452.db2.gz LYOZLCAJFMWHBA-UHFFFAOYSA-N 0 3 321.377 1.514 20 5 DDBDHN CCN(C)C(=O)CCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369001204 307113953 /nfs/dbraw/zinc/11/39/53/307113953.db2.gz KZNTXMAKBHAXMF-LBPRGKRZSA-N 0 3 309.370 1.297 20 5 DDBDHN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000495858232 307320981 /nfs/dbraw/zinc/32/09/81/307320981.db2.gz XSKUJHNVVKXABG-ZJUUUORDSA-N 0 3 304.343 1.744 20 5 DDBDHN NC(=O)c1ccc(CN[C@H](CO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000543840200 307712283 /nfs/dbraw/zinc/71/22/83/307712283.db2.gz RBDMOTAPRUPPCZ-CQSZACIVSA-N 0 3 321.377 1.725 20 5 DDBDHN CC1(C)SC[C@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566129668 308045408 /nfs/dbraw/zinc/04/54/08/308045408.db2.gz HEYVOHIOTPECFN-ZWNOBZJWSA-N 0 3 312.391 1.818 20 5 DDBDHN CC(C)(O)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576937856 308350744 /nfs/dbraw/zinc/35/07/44/308350744.db2.gz XXXOHMDHMMBIMY-UHFFFAOYSA-N 0 3 316.379 1.119 20 5 DDBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000576974355 308353685 /nfs/dbraw/zinc/35/36/85/308353685.db2.gz ZDJLATICECYHGE-SNVBAGLBSA-N 0 3 321.333 1.490 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](CC[NH3+])C(F)F ZINC000383299782 325748919 /nfs/dbraw/zinc/74/89/19/325748919.db2.gz NJPVKHLMORJBGQ-SECBINFHSA-N 0 3 323.321 1.164 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1CCCO ZINC000452344049 534333230 /nfs/dbraw/zinc/33/32/30/534333230.db2.gz CEPBCOXNDTVKRL-CQSZACIVSA-N 0 3 321.377 1.480 20 5 DDBDHN COc1cc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000334041728 536521809 /nfs/dbraw/zinc/52/18/09/536521809.db2.gz AGAMPOAMTMBBCM-JQWIXIFHSA-N 0 3 307.350 1.816 20 5 DDBDHN CN(c1nc2ccccn2c1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000733192174 699582732 /nfs/dbraw/zinc/58/27/32/699582732.db2.gz XFZXCUCSDDSDLF-GFCCVEGCSA-N 0 3 301.350 1.915 20 5 DDBDHN C[C@@H]1OCC[C@@H]1N(CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796578715 699940042 /nfs/dbraw/zinc/94/00/42/699940042.db2.gz JXQYSNFJMUYYFS-CQDKDKBSSA-N 0 3 310.350 1.100 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2[C@H](O)c2ccccc2)n1 ZINC000879244224 706627583 /nfs/dbraw/zinc/62/75/83/706627583.db2.gz PHSWNPLSDZTMLH-GOEBONIOSA-N 0 3 316.361 1.989 20 5 DDBDHN CC(COC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)[N+](=O)[O-] ZINC000813102048 702290903 /nfs/dbraw/zinc/29/09/03/702290903.db2.gz AGWQFJJNGMFGRN-OCCSQVGLSA-N 0 3 320.345 1.429 20 5 DDBDHN CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000840952060 702291591 /nfs/dbraw/zinc/29/15/91/702291591.db2.gz IJYNLZCOMVEZRD-UWVGGRQHSA-N 0 3 319.408 1.417 20 5 DDBDHN CC(COC(=O)Cc1ccc(NC(=O)C2CC2)cc1)[N+](=O)[O-] ZINC000813103420 702292284 /nfs/dbraw/zinc/29/22/84/702292284.db2.gz QDCZDMIXTHOVOJ-SNVBAGLBSA-N 0 3 306.318 1.786 20 5 DDBDHN COc1cc(OCC(=O)OCC(C)[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000813106563 702293237 /nfs/dbraw/zinc/29/32/37/702293237.db2.gz DSKBHVCSUGDCAP-MRVPVSSYSA-N 0 3 314.250 1.191 20 5 DDBDHN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813110396 702295804 /nfs/dbraw/zinc/29/58/04/702295804.db2.gz ZQSILFSWWXQDJI-GXSJLCMTSA-N 0 3 314.363 1.711 20 5 DDBDHN CC(COC(=O)C[C@H](C)NC(=O)C1CCCCC1)[N+](=O)[O-] ZINC000813110072 702296220 /nfs/dbraw/zinc/29/62/20/702296220.db2.gz ZEBFNBUAAFTZTQ-QWRGUYRKSA-N 0 3 300.355 1.670 20 5 DDBDHN CC(COC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[N+](=O)[O-] ZINC000813113333 702298408 /nfs/dbraw/zinc/29/84/08/702298408.db2.gz YOIHQRIHOHVGHL-QMMMGPOBSA-N 0 3 308.250 1.153 20 5 DDBDHN CC(COC(=O)c1ccc2c(c1)NC(=O)CCS2)[N+](=O)[O-] ZINC000813115502 702300184 /nfs/dbraw/zinc/30/01/84/702300184.db2.gz UBCHRSLYBFQGMB-QMMMGPOBSA-N 0 3 310.331 1.943 20 5 DDBDHN CC(C)[C@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CCN1 ZINC000869330849 702571080 /nfs/dbraw/zinc/57/10/80/702571080.db2.gz RLSRTXFVJXRMIK-CYBMUJFWSA-N 0 3 309.341 1.733 20 5 DDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000843455380 702885428 /nfs/dbraw/zinc/88/54/28/702885428.db2.gz NOPPKFNIIJHILP-BDAKNGLRSA-N 0 3 322.321 1.634 20 5 DDBDHN CC(COC(=O)CC1(Cn2cnnn2)CCCCC1)[N+](=O)[O-] ZINC000845577863 703177541 /nfs/dbraw/zinc/17/75/41/703177541.db2.gz ZADXWGDYJKFPMR-NSHDSACASA-N 0 3 311.342 1.222 20 5 DDBDHN CC([C@@H](OC(=O)c1cnn(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845882596 703211902 /nfs/dbraw/zinc/21/19/02/703211902.db2.gz OUWCWCVBRZKWMF-QPUJVOFHSA-N 0 3 308.269 1.518 20 5 DDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000831546036 706728885 /nfs/dbraw/zinc/72/88/85/706728885.db2.gz HZGXMDVFBXNDEX-WDEREUQCSA-N 0 3 317.349 1.153 20 5 DDBDHN CC1(C)C[C@@H](O)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000879622166 706741805 /nfs/dbraw/zinc/74/18/05/706741805.db2.gz IHNSPQZQNGNIAU-CHWSQXEVSA-N 0 3 324.377 1.427 20 5 DDBDHN O=[N+]([O-])c1ccc(CNCC[S@](=O)CC(F)(F)F)cc1 ZINC000850349628 703726347 /nfs/dbraw/zinc/72/63/47/703726347.db2.gz HWKNKRQGQDRXPL-FQEVSTJZSA-N 0 3 310.297 1.995 20 5 DDBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1N1CCOCC1 ZINC000870376255 704014719 /nfs/dbraw/zinc/01/47/19/704014719.db2.gz FBOKVAZMBATZMF-LBPRGKRZSA-N 0 3 308.334 1.654 20 5 DDBDHN CC(C)(C)C(=O)NCCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818989083 704044352 /nfs/dbraw/zinc/04/43/52/704044352.db2.gz IGIPTDTXMLFUCH-ZDUSSCGKSA-N 0 3 309.366 1.380 20 5 DDBDHN CC(C)(C)N1C[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000819127597 704072985 /nfs/dbraw/zinc/07/29/85/704072985.db2.gz UYNWJHZBBBLZCP-JSGCOSHPSA-N 0 3 321.377 1.617 20 5 DDBDHN C[C@@H]([NH3+])[C@H](C)[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766937 704622397 /nfs/dbraw/zinc/62/23/97/704622397.db2.gz YVEZGABAVZQPTF-SFYZADRCSA-N 0 3 303.265 1.418 20 5 DDBDHN COCCN(CCN(C)C)C(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000874383751 705029523 /nfs/dbraw/zinc/02/95/23/705029523.db2.gz GOAXRSWKEFGOFM-UHFFFAOYSA-N 0 3 323.393 1.862 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H]2CCCN3C)c1 ZINC000874846002 705200278 /nfs/dbraw/zinc/20/02/78/705200278.db2.gz XBZSUSUIASOXQE-LSDHHAIUSA-N 0 3 319.361 1.912 20 5 DDBDHN C[C@H]1c2sccc2CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880377831 706956805 /nfs/dbraw/zinc/95/68/05/706956805.db2.gz GMMNFRWPBVZAQK-GWCFXTLKSA-N 0 3 322.390 1.833 20 5 DDBDHN CN(CCNc1cc(Cl)ccc1[N+](=O)[O-])CCOCCO ZINC000882951662 707867327 /nfs/dbraw/zinc/86/73/27/707867327.db2.gz PHFWMDHORNFCJW-UHFFFAOYSA-N 0 3 317.773 1.601 20 5 DDBDHN CCc1ccc(C(=O)N(C)CCN(C)CCO)cc1[N+](=O)[O-] ZINC000912606039 713045646 /nfs/dbraw/zinc/04/56/46/713045646.db2.gz IHJHAFNFZRPZJV-UHFFFAOYSA-N 0 3 309.366 1.153 20 5 DDBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886176597 708710249 /nfs/dbraw/zinc/71/02/49/708710249.db2.gz HAIUUMGEKVZOPI-CYBMUJFWSA-N 0 3 320.393 1.675 20 5 DDBDHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2cccnc2[N+](=O)[O-])C1 ZINC000886274568 708734416 /nfs/dbraw/zinc/73/44/16/708734416.db2.gz WIQUUUSAVOSUFN-BNOWGMLFSA-N 0 3 309.366 1.646 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000928435836 713194824 /nfs/dbraw/zinc/19/48/24/713194824.db2.gz DEAFQGRXNCMFBS-RYUDHWBXSA-N 0 3 306.366 1.240 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@H](CO)[C@H]1CCOC1 ZINC000894189915 711008309 /nfs/dbraw/zinc/00/83/09/711008309.db2.gz LAQKEPQVMHWGMQ-NWDGAFQWSA-N 0 3 314.769 1.983 20 5 DDBDHN COc1cc([C@H](C)NCCN2CCCC2=O)cc([N+](=O)[O-])c1 ZINC000903193083 711060262 /nfs/dbraw/zinc/06/02/62/711060262.db2.gz CCYLYXDLJHJXHW-NSHDSACASA-N 0 3 307.350 1.876 20 5 DDBDHN CCN1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000894406202 711106241 /nfs/dbraw/zinc/10/62/41/711106241.db2.gz OFHAQVJXUYSNKC-LLVKDONJSA-N 0 3 309.366 1.835 20 5 DDBDHN C[C@H]1[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000914325479 713378740 /nfs/dbraw/zinc/37/87/40/713378740.db2.gz LECWURGBXPVETF-SMDDNHRTSA-N 0 3 306.366 1.529 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCN1C ZINC000925343013 714820921 /nfs/dbraw/zinc/82/09/21/714820921.db2.gz KVTHVQZDCIDNMQ-TZMCWYRMSA-N 0 3 320.393 1.871 20 5 DDBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1ccnnc1 ZINC001167283911 732905967 /nfs/dbraw/zinc/90/59/67/732905967.db2.gz PQQVHPALCZPXHS-UHFFFAOYSA-N 0 3 321.362 1.356 20 5 DDBDHN CCN(CC)CC(=O)N(C)CCN(C)c1ccccc1[N+](=O)[O-] ZINC001105407859 740988489 /nfs/dbraw/zinc/98/84/89/740988489.db2.gz MVCMYWZPXKMOQP-UHFFFAOYSA-N 0 3 322.409 1.831 20 5 DDBDHN Cc1nn(C)c(N2CCN[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC001187686566 744590950 /nfs/dbraw/zinc/59/09/50/744590950.db2.gz QJCNOALZXCWAHJ-CYBMUJFWSA-N 0 3 301.350 1.788 20 5 DDBDHN O=C(CN1CCCC1)NC/C=C/CNc1ncccc1[N+](=O)[O-] ZINC001107201481 749556004 /nfs/dbraw/zinc/55/60/04/749556004.db2.gz RODILLPAMOUZHV-OWOJBTEDSA-N 0 3 319.365 1.170 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)C(C)(C)C)CC1 ZINC000997201528 750688169 /nfs/dbraw/zinc/68/81/69/750688169.db2.gz SBNVOJOQUBWCKT-UHFFFAOYSA-N 0 3 323.397 1.455 20 5 DDBDHN CCCN(C)CC(=O)N[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097053599 771599885 /nfs/dbraw/zinc/59/98/85/771599885.db2.gz VJPVHACUSTTZKR-JOCQHMNTSA-N 0 3 320.393 1.996 20 5 DDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(N2CCN(C)CC2)C1 ZINC001173231631 777063406 /nfs/dbraw/zinc/06/34/06/777063406.db2.gz NFUQPFZWZPHAAY-AWEZNQCLSA-N 0 3 318.421 1.457 20 5 DDBDHN CN(CCNc1cccc(F)c1[N+](=O)[O-])C(=O)CN1CCCC1 ZINC001101633268 777329237 /nfs/dbraw/zinc/32/92/37/777329237.db2.gz IDTGRDNBPSQVFJ-UHFFFAOYSA-N 0 3 324.356 1.700 20 5 DDBDHN CCC1(CC)CNC(=O)[C@H]1NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001176451402 778152659 /nfs/dbraw/zinc/15/26/59/778152659.db2.gz BVNORIWTKUKFOB-UONOGXRCSA-N 0 3 321.377 1.523 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cccs1 ZINC001154293678 860959295 /nfs/dbraw/zinc/95/92/95/860959295.db2.gz YYKHDILKSGVNHR-UHFFFAOYSA-N 0 3 323.378 1.300 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1ccsc1 ZINC001154467344 861125074 /nfs/dbraw/zinc/12/50/74/861125074.db2.gz IIHMTBKLJXHCTG-UHFFFAOYSA-N 0 3 323.378 1.300 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1ncc[nH]1 ZINC001157628040 863988256 /nfs/dbraw/zinc/98/82/56/863988256.db2.gz IKFJYDVJXAZJGP-UHFFFAOYSA-N 0 3 303.322 1.228 20 5 DDBDHN CC(C)N1CCC[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC001153801750 864115100 /nfs/dbraw/zinc/11/51/00/864115100.db2.gz BPWGHKOKJYZAMH-LBPRGKRZSA-N 0 3 323.397 1.515 20 5 DDBDHN COc1cnc(N2CCO[C@H](CN3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001158309952 864565729 /nfs/dbraw/zinc/56/57/29/864565729.db2.gz VIJQVJIDFJYBCP-CYBMUJFWSA-N 0 3 322.365 1.299 20 5 DDBDHN C[C@H](Nc1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1)[C@H]1CNCCO1 ZINC001159499415 865354744 /nfs/dbraw/zinc/35/47/44/865354744.db2.gz PXUDDCGYDIRBIR-ICCMNZRJSA-N 0 3 321.381 1.311 20 5 DDBDHN COC(=O)c1ncc([N+](=O)[O-])c(C)c1-n1nc(CN)cc1C ZINC001163981100 868842989 /nfs/dbraw/zinc/84/29/89/868842989.db2.gz DRGFWLDFRDXRDC-UHFFFAOYSA-N 0 3 305.294 1.038 20 5 DDBDHN Cc1cc(OCC(=O)NC[C@H]2CCCCN2C)ccc1[N+](=O)[O-] ZINC001339268224 870430013 /nfs/dbraw/zinc/43/00/13/870430013.db2.gz XCOVECHBCROMJM-CYBMUJFWSA-N 0 3 321.377 1.883 20 5 DDBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC2(CNC2)C1 ZINC001340805343 871362615 /nfs/dbraw/zinc/36/26/15/871362615.db2.gz DMWPBYRYHLSQQS-UHFFFAOYSA-N 0 3 323.374 1.131 20 5 DDBDHN NC1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)Cc2ccccc2C1 ZINC001349469982 875189686 /nfs/dbraw/zinc/18/96/86/875189686.db2.gz RDYXEIDMKFQFCO-UHFFFAOYSA-N 0 3 323.352 1.933 20 5 DDBDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(CC[N+](=O)[O-])C[C@@H]21 ZINC001262256054 900055781 /nfs/dbraw/zinc/05/57/81/900055781.db2.gz DYEHYZDGVASTLZ-FRRDWIJNSA-N 0 3 313.398 1.888 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](C)[C@@H](O)C1 ZINC000305761234 231042631 /nfs/dbraw/zinc/04/26/31/231042631.db2.gz LIASSDBOXRMLCT-ABAIWWIYSA-N 0 3 321.377 1.935 20 5 DDBDHN CC(C)(C)[C@@H](CCO)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000181456583 199299896 /nfs/dbraw/zinc/29/98/96/199299896.db2.gz IUELUWKRLAEKLJ-CYBMUJFWSA-N 0 3 309.366 1.920 20 5 DDBDHN CO[C@]1(C)CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000279313534 214785412 /nfs/dbraw/zinc/78/54/12/214785412.db2.gz NKOZJWBPKPHLMS-GDBMZVCRSA-N 0 3 324.377 1.835 20 5 DDBDHN CN1CC[C@](O)(CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000358335164 299124879 /nfs/dbraw/zinc/12/48/79/299124879.db2.gz ZBKFUNWRLTUXAF-HNNXBMFYSA-N 0 3 302.334 1.622 20 5 DDBDHN CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000358458806 299158752 /nfs/dbraw/zinc/15/87/52/299158752.db2.gz CJAGPNDINHXRHK-HNNXBMFYSA-N 0 3 303.362 1.832 20 5 DDBDHN COc1cc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])cc1[O-] ZINC000189951140 186254053 /nfs/dbraw/zinc/25/40/53/186254053.db2.gz VXEUKZZQCLMOBE-ZYHUDNBSSA-N 0 3 310.350 1.950 20 5 DDBDHN Cc1n[n-]c(C(=O)NC[C@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000064354018 352935370 /nfs/dbraw/zinc/93/53/70/352935370.db2.gz KJQYUKBEXOGCRX-SECBINFHSA-N 0 3 307.310 1.252 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000065867396 352966902 /nfs/dbraw/zinc/96/69/02/352966902.db2.gz UJBDVVJBXVMRNI-NEPJUHHUSA-N 0 3 323.397 1.336 20 5 DDBDHN CN1CCN(CC2CCN(c3ccncc3[N+](=O)[O-])CC2)CC1 ZINC000066810505 353017597 /nfs/dbraw/zinc/01/75/97/353017597.db2.gz IRUAYMXIUWWTFV-UHFFFAOYSA-N 0 3 319.409 1.454 20 5 DDBDHN CCCN(C)CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000358556342 299197150 /nfs/dbraw/zinc/19/71/50/299197150.db2.gz RBSZDXMMMYURBO-UHFFFAOYSA-N 0 3 320.393 1.585 20 5 DDBDHN O=C1CC2(CN1)CCN(CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000075013888 353342903 /nfs/dbraw/zinc/34/29/03/353342903.db2.gz VCWSUJZNGNNZCU-UHFFFAOYSA-N 0 3 303.362 1.739 20 5 DDBDHN C[C@H](O)[C@@H]1CCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248470813 354368975 /nfs/dbraw/zinc/36/89/75/354368975.db2.gz VJYJQXLRXJWSBF-MJBXVCDLSA-N 0 3 324.377 1.570 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(C)C[C@H]1CN ZINC000584768279 354762442 /nfs/dbraw/zinc/76/24/42/354762442.db2.gz MNUYVJJXBFTKBS-GFCCVEGCSA-N 0 3 321.381 1.318 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2CN(C)C[C@H]21 ZINC000590010684 355039962 /nfs/dbraw/zinc/03/99/62/355039962.db2.gz OTTZBKPGGDFLLC-GXTWGEPZSA-N 0 3 318.377 1.478 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590047001 355043330 /nfs/dbraw/zinc/04/33/30/355043330.db2.gz SCONKIOSKQMRRM-HIFRSBDPSA-N 0 3 303.362 1.690 20 5 DDBDHN CNc1ccc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590441585 355095725 /nfs/dbraw/zinc/09/57/25/355095725.db2.gz DAKPKNWYHNDAFA-SMDDNHRTSA-N 0 3 304.350 1.413 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590443482 355097474 /nfs/dbraw/zinc/09/74/74/355097474.db2.gz KMXMLCYFLYROCA-UWVGGRQHSA-N 0 3 307.354 1.217 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590443482 355097476 /nfs/dbraw/zinc/09/74/76/355097476.db2.gz KMXMLCYFLYROCA-UWVGGRQHSA-N 0 3 307.354 1.217 20 5 DDBDHN CCCN(CC)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000080791380 192190697 /nfs/dbraw/zinc/19/06/97/192190697.db2.gz CGPSEWFHCAYXLY-UHFFFAOYSA-N 0 3 315.395 1.605 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](C)CN1CCOCC1 ZINC000595013724 356372493 /nfs/dbraw/zinc/37/24/93/356372493.db2.gz RVAXBQZSETVYCC-QWHCGFSZSA-N 0 3 323.393 1.975 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[C@]1(O)CCOC1 ZINC000595048166 356376732 /nfs/dbraw/zinc/37/67/32/356376732.db2.gz VYDHPBPMIUOXEH-ABAIWWIYSA-N 0 3 310.350 1.796 20 5 DDBDHN C[NH2+]C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000595121121 356385992 /nfs/dbraw/zinc/38/59/92/356385992.db2.gz HGUZGMDVKMRHRB-SSDOTTSWSA-N 0 3 307.759 1.134 20 5 DDBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cnc[nH]1 ZINC000595595606 356568227 /nfs/dbraw/zinc/56/82/27/356568227.db2.gz YOPPHXCGHHNBLB-UHFFFAOYSA-N 0 3 303.322 1.779 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](F)[C@H](N)C1 ZINC000595908181 356700781 /nfs/dbraw/zinc/70/07/81/356700781.db2.gz ZLVIVDXXQXVHRN-VXGBXAGGSA-N 0 3 310.329 1.213 20 5 DDBDHN CCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000597947223 357395215 /nfs/dbraw/zinc/39/52/15/357395215.db2.gz WABXGJMKMGWTNT-GFCCVEGCSA-N 0 3 306.366 1.559 20 5 DDBDHN O=[N+]([O-])c1ccc(CCO)c(-c2nc3c(s2)CNCC3)c1 ZINC000600791826 358315548 /nfs/dbraw/zinc/31/55/48/358315548.db2.gz IEABJRLLVMZWEM-UHFFFAOYSA-N 0 3 305.359 1.899 20 5 DDBDHN C[C@@H]1C[C@H]1N1C[C@@H](NCCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000602560460 359045963 /nfs/dbraw/zinc/04/59/63/359045963.db2.gz ZSBSGUNAZDOFJD-OSAQELSMSA-N 0 3 303.362 1.736 20 5 DDBDHN CC(C)[C@H](NCc1cn(C)nc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000602835933 359226487 /nfs/dbraw/zinc/22/64/87/359226487.db2.gz ALTWBEZSPJWDGL-ZDUSSCGKSA-N 0 3 310.398 1.995 20 5 DDBDHN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602834822 359226942 /nfs/dbraw/zinc/22/69/42/359226942.db2.gz DQGOBOOJTRCOEZ-NEPJUHHUSA-N 0 3 310.354 1.540 20 5 DDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000602821804 359215973 /nfs/dbraw/zinc/21/59/73/359215973.db2.gz ACWYRPRIPKJFLL-DLBZAZTESA-N 0 3 322.405 1.981 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000602951379 359317534 /nfs/dbraw/zinc/31/75/34/359317534.db2.gz JAIATILNGJUXIF-YPMHNXCESA-N 0 3 319.365 1.278 20 5 DDBDHN C[C@]1(CO)C[C@@H](O)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000602899322 359281283 /nfs/dbraw/zinc/28/12/83/359281283.db2.gz PNCNHHNHGNOMIP-UKRRQHHQSA-N 0 3 310.350 1.181 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN(C)C2CC2)c1 ZINC000186740693 200001411 /nfs/dbraw/zinc/00/14/11/200001411.db2.gz BFMXOBNVHQGZKG-UHFFFAOYSA-N 0 3 307.350 1.770 20 5 DDBDHN COC1CCN(CCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CC1 ZINC000618585020 363682738 /nfs/dbraw/zinc/68/27/38/363682738.db2.gz KDSCJLRRGRDSNJ-UHFFFAOYSA-N 0 3 319.365 1.416 20 5 DDBDHN Cc1nn(C)c(NCCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000609631803 360339218 /nfs/dbraw/zinc/33/92/18/360339218.db2.gz DHKAWNBPNGJNPQ-UHFFFAOYSA-N 0 3 310.402 1.076 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](C)N(C)C)c1 ZINC000281203532 216150805 /nfs/dbraw/zinc/15/08/05/216150805.db2.gz LBWVMPNCMVHERH-LBPRGKRZSA-N 0 3 309.366 1.738 20 5 DDBDHN CN1CC=C(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000271889664 209299589 /nfs/dbraw/zinc/29/95/89/209299589.db2.gz DLXBPHYEKYDLGP-UHFFFAOYSA-N 0 3 320.305 1.495 20 5 DDBDHN O=[N+]([O-])c1ccccc1/C=C\CNCCN1CCCOCC1 ZINC000349373454 283913412 /nfs/dbraw/zinc/91/34/12/283913412.db2.gz WRHPRICQXAZTSI-UTCJRWHESA-N 0 3 305.378 1.920 20 5 DDBDHN CCCc1n[nH]c(C(=O)NC[C@@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC000264698900 204086877 /nfs/dbraw/zinc/08/68/77/204086877.db2.gz VVWYBIJBFQBSDC-SECBINFHSA-N 0 3 309.370 1.483 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264939354 204286263 /nfs/dbraw/zinc/28/62/63/204286263.db2.gz VJMUCCSPRPEXSX-NSHDSACASA-N 0 3 302.334 1.900 20 5 DDBDHN C[C@@]1(CO)CCC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000351525465 284361917 /nfs/dbraw/zinc/36/19/17/284361917.db2.gz SKMZSYQXKOZZBE-ZFWWWQNUSA-N 0 3 307.350 1.674 20 5 DDBDHN Cc1c([C@@H](C)NCC2(C(N)=O)CCOCC2)cccc1[N+](=O)[O-] ZINC000153157967 248299662 /nfs/dbraw/zinc/29/96/62/248299662.db2.gz LHRBXUNTENFOJX-GFCCVEGCSA-N 0 3 321.377 1.836 20 5 DDBDHN CC(C)[C@H](CCO)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000273937985 211191703 /nfs/dbraw/zinc/19/17/03/211191703.db2.gz CYXPUKZINAWZAG-FZMZJTMJSA-N 0 3 309.366 1.918 20 5 DDBDHN CN(C)Cc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c(F)c1 ZINC000412555572 224052609 /nfs/dbraw/zinc/05/26/09/224052609.db2.gz BZMSGCHMLUZWOY-UHFFFAOYSA-N 0 3 321.312 1.631 20 5 DDBDHN [NH3+]C1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000036265762 406978287 /nfs/dbraw/zinc/97/82/87/406978287.db2.gz KBKPLPSWMWGZDE-UHFFFAOYSA-N 0 3 305.743 1.016 20 5 DDBDHN CN1CCC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000078572711 407034552 /nfs/dbraw/zinc/03/45/52/407034552.db2.gz GGEGAQUAOXFEJY-LLVKDONJSA-N 0 3 313.379 1.215 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](n2cccn2)C1 ZINC000090524937 407168254 /nfs/dbraw/zinc/16/82/54/407168254.db2.gz OUDCIMBOEZKJMN-ZDUSSCGKSA-N 0 3 317.349 1.290 20 5 DDBDHN CC(=O)N1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055900361 407208012 /nfs/dbraw/zinc/20/80/12/407208012.db2.gz GGCYQRRXPLCZFV-UHFFFAOYSA-N 0 3 321.377 1.918 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1N(C)C ZINC000271019439 407473319 /nfs/dbraw/zinc/47/33/19/407473319.db2.gz HTLVLBULCOQFDK-WCBMZHEXSA-N 0 3 315.420 1.774 20 5 DDBDHN CS[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000271122562 407526289 /nfs/dbraw/zinc/52/62/89/407526289.db2.gz LBYGTYVTOWNOMU-UWVGGRQHSA-N 0 3 315.420 1.774 20 5 DDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000115437993 407679533 /nfs/dbraw/zinc/67/95/33/407679533.db2.gz PEUCKJHWAOFQQQ-LLVKDONJSA-N 0 3 306.366 1.591 20 5 DDBDHN Cc1ccc([C@H](C)NCC2(C(N)=O)CCOCC2)cc1[N+](=O)[O-] ZINC000153146458 407762906 /nfs/dbraw/zinc/76/29/06/407762906.db2.gz SPNLSTWGDBBTBA-LBPRGKRZSA-N 0 3 321.377 1.836 20 5 DDBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272124845 407784284 /nfs/dbraw/zinc/78/42/84/407784284.db2.gz ACKFBYGOXNLQCR-SNVBAGLBSA-N 0 3 309.370 1.131 20 5 DDBDHN CNCc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000237141747 407800110 /nfs/dbraw/zinc/80/01/10/407800110.db2.gz IEGXGEMMWQINAY-UHFFFAOYSA-N 0 3 303.322 1.458 20 5 DDBDHN COCCCN(C)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153792641 407903459 /nfs/dbraw/zinc/90/34/59/407903459.db2.gz MIIKYEDQKAFBNF-UHFFFAOYSA-N 0 3 324.381 1.993 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000268147752 407913177 /nfs/dbraw/zinc/91/31/77/407913177.db2.gz FKWCDIKLEIEZFC-OTYXRUKQSA-N 0 3 307.325 1.946 20 5 DDBDHN CCOC(=O)c1ccnc(NC[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000133474562 407847793 /nfs/dbraw/zinc/84/77/93/407847793.db2.gz MLHTZLQPTWIMHC-SNVBAGLBSA-N 0 3 308.338 1.673 20 5 DDBDHN CCN(C)CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272525897 407961567 /nfs/dbraw/zinc/96/15/67/407961567.db2.gz LXQJSOKPHORXSM-HNNXBMFYSA-N 0 3 317.393 1.959 20 5 DDBDHN CN(CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CC1 ZINC000272447291 407926730 /nfs/dbraw/zinc/92/67/30/407926730.db2.gz QCSUVTWCOIYCHV-UHFFFAOYSA-N 0 3 307.306 1.148 20 5 DDBDHN Cc1nn(CCC(=O)N2CCN[C@H](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000262783586 407928065 /nfs/dbraw/zinc/92/80/65/407928065.db2.gz LWOBADIZPQBIAJ-MWLCHTKSSA-N 0 3 309.370 1.007 20 5 DDBDHN C[C@@H](CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N(C)C ZINC000272952871 408018475 /nfs/dbraw/zinc/01/84/75/408018475.db2.gz GNPQYVYEJOCMMC-HZMBPMFUSA-N 0 3 320.349 1.154 20 5 DDBDHN CCN(C)CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154753738 408079002 /nfs/dbraw/zinc/07/90/02/408079002.db2.gz FZDURLJKZVVNKR-UHFFFAOYSA-N 0 3 302.334 1.825 20 5 DDBDHN C[C@]1(O)CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182325360 408125221 /nfs/dbraw/zinc/12/52/21/408125221.db2.gz VCZWPRXSMCASAO-WFASDCNBSA-N 0 3 310.350 1.181 20 5 DDBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CCOCC1 ZINC000156159878 408239807 /nfs/dbraw/zinc/23/98/07/408239807.db2.gz ZYIARUVATJWEHK-UHFFFAOYSA-N 0 3 307.350 1.552 20 5 DDBDHN CCCCNC(=O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176207986 408309817 /nfs/dbraw/zinc/30/98/17/408309817.db2.gz ZNWQGUUAQHEMDH-UHFFFAOYSA-N 0 3 323.397 1.420 20 5 DDBDHN COc1cc(OCC(=O)N(C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000176380046 408351395 /nfs/dbraw/zinc/35/13/95/408351395.db2.gz FZHSRBYZNXQTTO-UHFFFAOYSA-N 0 3 311.338 1.002 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000247511976 408484762 /nfs/dbraw/zinc/48/47/62/408484762.db2.gz VTHTYBKRYNZQCH-AAEUAGOBSA-N 0 3 323.397 1.431 20 5 DDBDHN COc1cccc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000192690353 408633155 /nfs/dbraw/zinc/63/31/55/408633155.db2.gz CVCKGRKQBODRJU-QWRGUYRKSA-N 0 3 319.361 1.958 20 5 DDBDHN C[C@H]1CN(CCCNC(=O)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000277343466 408922994 /nfs/dbraw/zinc/92/29/94/408922994.db2.gz BDMHSISYKDYSSX-ZDUSSCGKSA-N 0 3 321.377 1.826 20 5 DDBDHN COCC(C)(C)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000292099538 408980756 /nfs/dbraw/zinc/98/07/56/408980756.db2.gz HUFMFAYEKOQQBW-GFCCVEGCSA-N 0 3 312.366 1.691 20 5 DDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)C12CCCN1CCC2 ZINC000283184529 409105783 /nfs/dbraw/zinc/10/57/83/409105783.db2.gz HHTMASAVINDZQA-UHFFFAOYSA-N 0 3 303.362 1.882 20 5 DDBDHN CC(C)N1CCC(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000280061063 409254739 /nfs/dbraw/zinc/25/47/39/409254739.db2.gz ZCZYLJUITBEDEH-GFCCVEGCSA-N 0 3 312.347 1.378 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000284201015 409295513 /nfs/dbraw/zinc/29/55/13/409295513.db2.gz ZOQJEOBCJYYYOO-LBPRGKRZSA-N 0 3 319.361 1.914 20 5 DDBDHN Cc1cn(C[C@@H](O)CN2CCc3ccccc3C2)nc1[N+](=O)[O-] ZINC000362330339 164155921 /nfs/dbraw/zinc/15/59/21/164155921.db2.gz PSJLOTRDHNHEIG-HNNXBMFYSA-N 0 3 316.361 1.519 20 5 DDBDHN C[C@@H]1CCOCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000373280174 164169244 /nfs/dbraw/zinc/16/92/44/164169244.db2.gz JMGOGFHUOUVIAQ-OLZOCXBDSA-N 0 3 310.350 1.445 20 5 DDBDHN Cc1nn(C)c(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000408128957 164236410 /nfs/dbraw/zinc/23/64/10/164236410.db2.gz MLEWTVLSYRLYIP-GXSJLCMTSA-N 0 3 309.370 1.049 20 5 DDBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCN1C ZINC000345075455 409616741 /nfs/dbraw/zinc/61/67/41/409616741.db2.gz ODSZVTPOHWWGEL-CQSZACIVSA-N 0 3 320.393 1.873 20 5 DDBDHN CN(CCN(C)C1CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000354074615 409630990 /nfs/dbraw/zinc/63/09/90/409630990.db2.gz IMSCUVGKAAJTHM-UHFFFAOYSA-N 0 3 309.341 1.829 20 5 DDBDHN O=C(CNC1(CO)CCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000305203670 409726607 /nfs/dbraw/zinc/72/66/07/409726607.db2.gz FXHZZUYNXYHUBU-UHFFFAOYSA-N 0 3 319.361 1.379 20 5 DDBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000346123380 409800392 /nfs/dbraw/zinc/80/03/92/409800392.db2.gz AULNMSJGZPKEHD-WDEREUQCSA-N 0 3 307.354 1.027 20 5 DDBDHN COc1ccc(CN2CCO[C@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000332321991 410065667 /nfs/dbraw/zinc/06/56/67/410065667.db2.gz RORRSKDNHWUOAB-ZBFHGGJFSA-N 0 3 321.377 1.508 20 5 DDBDHN COc1ccc(CN2CCO[C@@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000332321985 410066173 /nfs/dbraw/zinc/06/61/73/410066173.db2.gz RORRSKDNHWUOAB-GOEBONIOSA-N 0 3 321.377 1.508 20 5 DDBDHN CN(C)[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000298745184 410379057 /nfs/dbraw/zinc/37/90/57/410379057.db2.gz YAPWAWYTSYRZKA-ZDUSSCGKSA-N 0 3 317.349 1.210 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358407955 410462684 /nfs/dbraw/zinc/46/26/84/410462684.db2.gz GCOLWDDGDUCFRG-BMIGLBTASA-N 0 3 321.352 1.875 20 5 DDBDHN Cn1c(C(=O)NC[C@@H]2CCCCN2C2CC2)ccc1[N+](=O)[O-] ZINC000347319733 410466988 /nfs/dbraw/zinc/46/69/88/410466988.db2.gz OKCOCRYHROZTGE-LBPRGKRZSA-N 0 3 306.366 1.680 20 5 DDBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000352107488 410484402 /nfs/dbraw/zinc/48/44/02/410484402.db2.gz QJVRAQWAWAWXRM-CQSZACIVSA-N 0 3 313.329 1.166 20 5 DDBDHN Cc1ccnc(N2CCN([C@@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000301250332 410684544 /nfs/dbraw/zinc/68/45/44/410684544.db2.gz BVLXVJYAUHBORM-CQSZACIVSA-N 0 3 319.409 1.514 20 5 DDBDHN CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@@H]1CCN(C2CC2)C1 ZINC000347928159 410795545 /nfs/dbraw/zinc/79/55/45/410795545.db2.gz UUJBQVVWBLMHSQ-LLVKDONJSA-N 0 3 322.340 1.625 20 5 DDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N1CCC[C@@H](C)C1 ZINC000330586038 410801313 /nfs/dbraw/zinc/80/13/13/410801313.db2.gz SIRJJKNKNLOYKY-NEPJUHHUSA-N 0 3 308.382 1.784 20 5 DDBDHN NC(C(=O)NCCNc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000353156155 410814255 /nfs/dbraw/zinc/81/42/55/410814255.db2.gz VDCBWGHNTGRBJO-SECBINFHSA-N 0 3 306.244 1.013 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343851578 410748514 /nfs/dbraw/zinc/74/85/14/410748514.db2.gz DMPRQEQLFFAHNJ-JSGCOSHPSA-N 0 3 320.393 1.919 20 5 DDBDHN CCN1CCC(N(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000330645660 410847509 /nfs/dbraw/zinc/84/75/09/410847509.db2.gz YYNUYMGPESZTCU-UHFFFAOYSA-N 0 3 309.370 1.193 20 5 DDBDHN CCN(CC)CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000337596976 410883748 /nfs/dbraw/zinc/88/37/48/410883748.db2.gz KCHMUOBYWOQSNT-UHFFFAOYSA-N 0 3 305.338 1.429 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2CCN(C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000348517814 410996080 /nfs/dbraw/zinc/99/60/80/410996080.db2.gz YCAPDEDQGWVHGM-JTQLQIEISA-N 0 3 309.370 1.437 20 5 DDBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H](O)C(F)F ZINC000341365957 411025435 /nfs/dbraw/zinc/02/54/35/411025435.db2.gz RRAYGEDYLFSVET-GZMMTYOYSA-N 0 3 317.292 1.528 20 5 DDBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356451577 411039354 /nfs/dbraw/zinc/03/93/54/411039354.db2.gz WTHBDLYEHCOUTL-IJLUTSLNSA-N 0 3 323.397 1.425 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2CN2CCCC2)n1 ZINC000191790398 418522957 /nfs/dbraw/zinc/52/29/57/418522957.db2.gz FZEKVBZEBWRGSH-GFCCVEGCSA-N 0 3 321.381 1.512 20 5 DDBDHN C[C@@H]1CCCCN1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290507292 418576720 /nfs/dbraw/zinc/57/67/20/418576720.db2.gz LGIHTFAFNWQDHY-SNVBAGLBSA-N 0 3 307.354 1.375 20 5 DDBDHN CCN1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000362832180 418760160 /nfs/dbraw/zinc/76/01/60/418760160.db2.gz WIYVQNWLBHFVRN-UHFFFAOYSA-N 0 3 317.349 2.541 20 5 DDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000364468281 418777922 /nfs/dbraw/zinc/77/79/22/418777922.db2.gz ZOLKBZIFPFNPDL-KGLIPLIRSA-N 0 3 305.334 1.188 20 5 DDBDHN CCCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000411170664 418875637 /nfs/dbraw/zinc/87/56/37/418875637.db2.gz CCEOLHJQAUJDKM-UHFFFAOYSA-N 0 3 322.365 1.511 20 5 DDBDHN CN(C)C(=O)C1(NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000411916673 419486274 /nfs/dbraw/zinc/48/62/74/419486274.db2.gz WPYRQDLIQRSEFL-UHFFFAOYSA-N 0 3 320.349 1.134 20 5 DDBDHN COc1ccc(CN[C@H](CO)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000411993535 419552113 /nfs/dbraw/zinc/55/21/13/419552113.db2.gz LNHJITFQZPTNJN-CHWSQXEVSA-N 0 3 310.350 1.481 20 5 DDBDHN CC(C)N1CCCC[C@@H]1Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC000412995633 419765547 /nfs/dbraw/zinc/76/55/47/419765547.db2.gz ZYKFKHWZSKVALH-LLVKDONJSA-N 0 3 322.365 1.118 20 5 DDBDHN NCc1cn([C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000415135509 419961197 /nfs/dbraw/zinc/96/11/97/419961197.db2.gz WSFOQLKRFPNEHG-HNNXBMFYSA-N 0 3 316.365 1.482 20 5 DDBDHN CN(C)CC[C@](C)(O)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000420057436 420106508 /nfs/dbraw/zinc/10/65/08/420106508.db2.gz ZWUUUNNISCKHMB-LBPRGKRZSA-N 0 3 301.368 1.089 20 5 DDBDHN COCCNCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423718591 420141080 /nfs/dbraw/zinc/14/10/80/420141080.db2.gz CWWNPBQDLMHVKQ-UHFFFAOYSA-N 0 3 307.350 1.322 20 5 DDBDHN C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCN1 ZINC000420342665 420222770 /nfs/dbraw/zinc/22/27/70/420222770.db2.gz XQCWPPZXNDEXOT-VIFPVBQESA-N 0 3 312.757 1.480 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CCN(C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000433748450 420254229 /nfs/dbraw/zinc/25/42/29/420254229.db2.gz LCBQWOIFOLYZEF-SNVBAGLBSA-N 0 3 309.370 1.608 20 5 DDBDHN CCc1ccccc1[C@H](N)CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000423970861 420287242 /nfs/dbraw/zinc/28/72/42/420287242.db2.gz GLSNAHYNLQCAKS-CQSZACIVSA-N 0 3 317.349 1.170 20 5 DDBDHN CC(C)[C@@H]1CN(C)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000425482001 420395633 /nfs/dbraw/zinc/39/56/33/420395633.db2.gz QOPBZUXPMDCMDY-AWEZNQCLSA-N 0 3 308.382 1.029 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCC[C@@]1(C)CO ZINC000492892904 420700508 /nfs/dbraw/zinc/70/05/08/420700508.db2.gz PHNPNZBDXRMFSQ-CJNGLKHVSA-N 0 3 321.377 1.982 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)NCc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000454283926 420830302 /nfs/dbraw/zinc/83/03/02/420830302.db2.gz XOZCSZPYNTVNTI-OCCSQVGLSA-N 0 3 304.350 1.440 20 5 DDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CNCCC1(F)F ZINC000449662902 421050403 /nfs/dbraw/zinc/05/04/03/421050403.db2.gz HMKYMQDHEVZKKO-LBPRGKRZSA-N 0 3 313.304 1.641 20 5 DDBDHN C[C@@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000455426538 421012155 /nfs/dbraw/zinc/01/21/55/421012155.db2.gz DEBUJATWAWTBJI-NSHDSACASA-N 0 3 309.370 1.256 20 5 DDBDHN CNc1nc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000456019964 421089570 /nfs/dbraw/zinc/08/95/70/421089570.db2.gz IOKUWNFUAOTOEZ-BXKDBHETSA-N 0 3 319.365 1.244 20 5 DDBDHN C[C@@H]1CN(CCO)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449786393 421082157 /nfs/dbraw/zinc/08/21/57/421082157.db2.gz NMYODXAENJIQKC-KXQLTZBTSA-N 0 3 305.378 1.606 20 5 DDBDHN CC(COC(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000496814243 421322469 /nfs/dbraw/zinc/32/24/69/421322469.db2.gz ANGJKBMQUWLWDG-QMTHXVAHSA-N 0 3 316.354 1.842 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C)C[C@@H]1CN ZINC000562743619 421409321 /nfs/dbraw/zinc/40/93/21/421409321.db2.gz DCNKVLCQVSDNFE-LBPRGKRZSA-N 0 3 307.354 1.010 20 5 DDBDHN CN[C@@H](C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000515670796 421514366 /nfs/dbraw/zinc/51/43/66/421514366.db2.gz XJUPZFISLAHWOD-NSHDSACASA-N 0 3 307.350 1.573 20 5 DDBDHN CCN1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000516835995 421569231 /nfs/dbraw/zinc/56/92/31/421569231.db2.gz GKKVBKSTEDSBQK-UHFFFAOYSA-N 0 3 321.333 1.538 20 5 DDBDHN COCCN(C)CCNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000567915531 421616695 /nfs/dbraw/zinc/61/66/95/421616695.db2.gz VSWGQARBZQNDHE-UHFFFAOYSA-N 0 3 312.370 1.767 20 5 DDBDHN C[C@@H]1C[C@H](CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000554446021 421640631 /nfs/dbraw/zinc/64/06/31/421640631.db2.gz WZZJRKOKFUQTTN-ZIAGYGMSSA-N 0 3 320.393 1.927 20 5 DDBDHN COC(=O)c1cc(C)nc(NC[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000557572542 421777184 /nfs/dbraw/zinc/77/71/84/421777184.db2.gz WHMFRNVJGNVYKA-LLVKDONJSA-N 0 3 322.365 1.839 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@@H](C)C1 ZINC000572425039 421786632 /nfs/dbraw/zinc/78/66/32/421786632.db2.gz GLWAAVQQFGRMAY-LLVKDONJSA-N 0 3 307.350 1.675 20 5 DDBDHN CC1(C)C(=O)N[C@@H]1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000573621891 421990143 /nfs/dbraw/zinc/99/01/43/421990143.db2.gz PXCMUFBUDAMCNN-CYBMUJFWSA-N 0 3 321.381 1.028 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@@H]1C(=O)NC ZINC000345819384 272343794 /nfs/dbraw/zinc/34/37/94/272343794.db2.gz PPWOPJJKURYVNF-KBPBESRZSA-N 0 3 321.377 1.998 20 5 DDBDHN COC(=O)c1cnc(N(C)CCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000189390498 274008162 /nfs/dbraw/zinc/00/81/62/274008162.db2.gz BCLLVCJTQWEIPT-UHFFFAOYSA-N 0 3 308.338 1.307 20 5 DDBDHN CCS(=O)(=O)C[C@H](C)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449138136 276389075 /nfs/dbraw/zinc/38/90/75/276389075.db2.gz HGWKBIXLHSDJMH-RYUDHWBXSA-N 0 3 314.407 1.939 20 5 DDBDHN CCN(CCNC(=O)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000102006553 281047074 /nfs/dbraw/zinc/04/70/74/281047074.db2.gz AGUCQQWPUDWSCC-UHFFFAOYSA-N 0 3 306.366 1.878 20 5 DDBDHN Cc1nn(C)c(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288382071 293699343 /nfs/dbraw/zinc/69/93/43/293699343.db2.gz LUXDJURGMBVELM-CMPLNLGQSA-N 0 3 321.381 1.336 20 5 DDBDHN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000364350384 300382143 /nfs/dbraw/zinc/38/21/43/300382143.db2.gz XTEZEFSDJIXDSR-HUUCEWRRSA-N 0 3 321.381 1.267 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000368596675 301061489 /nfs/dbraw/zinc/06/14/89/301061489.db2.gz VVHQXTMTTFQXKN-SWLSCSKDSA-N 0 3 303.362 1.690 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000370634060 301375274 /nfs/dbraw/zinc/37/52/74/301375274.db2.gz IFVGKSLNTWJIMB-ZDUSSCGKSA-N 0 3 319.361 1.914 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C(C)(C)CC[NH3+] ZINC000397171954 302352463 /nfs/dbraw/zinc/35/24/63/302352463.db2.gz FFPWJADPIFIWGI-UHFFFAOYSA-N 0 3 301.368 1.309 20 5 DDBDHN COc1ccc(CC(=O)N(C)CCN2CCCC2)cc1[N+](=O)[O-] ZINC000524257328 302903959 /nfs/dbraw/zinc/90/39/59/302903959.db2.gz IIBCUJYPOWYXDS-UHFFFAOYSA-N 0 3 321.377 1.700 20 5 DDBDHN CC(C)(O)CN1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000366687347 307079692 /nfs/dbraw/zinc/07/96/92/307079692.db2.gz MXNLFEOLZDSWJE-UHFFFAOYSA-N 0 3 321.377 1.514 20 5 DDBDHN O=C(CCN[C@@H]1CC[S@](=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000564848270 308008426 /nfs/dbraw/zinc/00/84/26/308008426.db2.gz DTCFSVSCUYNWST-UZJPJQLHSA-N 0 3 311.363 1.034 20 5 DDBDHN CCn1nnc(C)c1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000576343331 308307849 /nfs/dbraw/zinc/30/78/49/308307849.db2.gz RSGBBOCNKDLMRB-UHFFFAOYSA-N 0 3 305.338 1.683 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(C3CC3)C2)n1 ZINC000576762992 308338164 /nfs/dbraw/zinc/33/81/64/308338164.db2.gz KBQAZJFDCIZIRV-SNVBAGLBSA-N 0 3 307.354 1.025 20 5 DDBDHN CN1CC[C@@H](Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 ZINC000577371156 308382895 /nfs/dbraw/zinc/38/28/95/308382895.db2.gz QCUXFOWPIWFNHI-SNVBAGLBSA-N 0 3 304.306 1.363 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCC(F)(F)F)c1 ZINC000579344044 308524413 /nfs/dbraw/zinc/52/44/13/308524413.db2.gz RGWHSSBQWMVERA-SNVBAGLBSA-N 0 3 308.256 1.877 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC[NH2+]C(C)C ZINC000036299693 337352858 /nfs/dbraw/zinc/35/28/58/337352858.db2.gz YBIXRXVIISYJID-UHFFFAOYSA-N 0 3 315.395 1.570 20 5 DDBDHN C[C@@H](O)[C@H]1C[C@H](C)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000443349075 533859265 /nfs/dbraw/zinc/85/92/65/533859265.db2.gz SYPVCIUBNNRCJE-YRGRVCCFSA-N 0 3 309.366 1.238 20 5 DDBDHN COC(=O)c1cc(NC(=O)[C@H]2C[C@H](C)CCN2)cc([N+](=O)[O-])c1 ZINC000422998206 533885906 /nfs/dbraw/zinc/88/59/06/533885906.db2.gz CPCBBABHLKBHEW-NOZJJQNGSA-N 0 3 321.333 1.708 20 5 DDBDHN CC[NH+](CC)[C@@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736532390 598498809 /nfs/dbraw/zinc/49/88/09/598498809.db2.gz CPKCUURLEFSULX-VIFPVBQESA-N 0 3 320.357 1.312 20 5 DDBDHN CC[NH+](CC)[C@@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736532390 598498811 /nfs/dbraw/zinc/49/88/11/598498811.db2.gz CPKCUURLEFSULX-VIFPVBQESA-N 0 3 320.357 1.312 20 5 DDBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@H+](C)C1CC1 ZINC000736027085 598500845 /nfs/dbraw/zinc/50/08/45/598500845.db2.gz XABOFAGOOXGYJF-QMMMGPOBSA-N 0 3 318.341 1.065 20 5 DDBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@@H+](C)C1CC1 ZINC000736027085 598500846 /nfs/dbraw/zinc/50/08/46/598500846.db2.gz XABOFAGOOXGYJF-QMMMGPOBSA-N 0 3 318.341 1.065 20 5 DDBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@H+](C)C1CC1 ZINC000736027085 598500847 /nfs/dbraw/zinc/50/08/47/598500847.db2.gz XABOFAGOOXGYJF-QMMMGPOBSA-N 0 3 318.341 1.065 20 5 DDBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@@H+](C)C1CC1 ZINC000736027085 598500848 /nfs/dbraw/zinc/50/08/48/598500848.db2.gz XABOFAGOOXGYJF-QMMMGPOBSA-N 0 3 318.341 1.065 20 5 DDBDHN C[NH+](C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736755698 598506497 /nfs/dbraw/zinc/50/64/97/598506497.db2.gz DEBFOEREWJBJKV-NSHDSACASA-N 0 3 317.353 1.305 20 5 DDBDHN C[NH+](C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736755698 598506499 /nfs/dbraw/zinc/50/64/99/598506499.db2.gz DEBFOEREWJBJKV-NSHDSACASA-N 0 3 317.353 1.305 20 5 DDBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1CCN(C2CC2)C1 ZINC000746882330 700043335 /nfs/dbraw/zinc/04/33/35/700043335.db2.gz LQOUHRLHVGCPGK-JTQLQIEISA-N 0 3 323.324 1.466 20 5 DDBDHN COCCN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000160425891 697317438 /nfs/dbraw/zinc/31/74/38/697317438.db2.gz HEEPGAQGWSHIOA-UHFFFAOYSA-N 0 3 315.757 1.556 20 5 DDBDHN CN1CCN(CCCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804331641 701178987 /nfs/dbraw/zinc/17/89/87/701178987.db2.gz RFCLFRLRBRACHN-UHFFFAOYSA-N 0 3 323.353 1.552 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]2[C@H](O)c2ccccc2)c1 ZINC000879245411 706627344 /nfs/dbraw/zinc/62/73/44/706627344.db2.gz XLWALMHTLCZDBB-JKSUJKDBSA-N 0 3 316.361 1.989 20 5 DDBDHN CC(COC(=O)c1cnc(OCc2ccccc2)cn1)[N+](=O)[O-] ZINC000813111172 702297293 /nfs/dbraw/zinc/29/72/93/702297293.db2.gz PSAJXIWWAFDWGE-NSHDSACASA-N 0 3 317.301 1.878 20 5 DDBDHN CC(COC(=O)C[C@H](c1ccccc1)N1CCOC1=O)[N+](=O)[O-] ZINC000813113654 702298042 /nfs/dbraw/zinc/29/80/42/702298042.db2.gz SCFRUERSHTZPRH-WCQYABFASA-N 0 3 322.317 1.778 20 5 DDBDHN CCS(=O)(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813114249 702299472 /nfs/dbraw/zinc/29/94/72/702299472.db2.gz OHPWHBLCARRYKB-VIFPVBQESA-N 0 3 301.320 1.302 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2noc(C[C@H]3CSCCN3)n2)s1 ZINC000843218894 702844191 /nfs/dbraw/zinc/84/41/91/702844191.db2.gz JGBYCBAASNQBHL-ZETCQYMHSA-N 0 3 312.376 1.954 20 5 DDBDHN NC(=O)c1ccc(CN2CC[C@@H]3CSC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000879561540 706718149 /nfs/dbraw/zinc/71/81/49/706718149.db2.gz QFXBGHGIWHEHGK-CHWSQXEVSA-N 0 3 321.402 1.879 20 5 DDBDHN CC(C)[C@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000879601134 706734067 /nfs/dbraw/zinc/73/40/67/706734067.db2.gz JXZNRKNEBDPHJX-CVEARBPZSA-N 0 3 307.394 1.900 20 5 DDBDHN COCCN1CCC(OC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000847881402 703480102 /nfs/dbraw/zinc/48/01/02/703480102.db2.gz KPTDECQWFIAGNH-UHFFFAOYSA-N 0 3 308.334 1.862 20 5 DDBDHN CC(C)[C@@H](C(=O)OCC(C)[N+](=O)[O-])N1Cc2ccccc2C1=O ZINC000851036599 703774961 /nfs/dbraw/zinc/77/49/61/703774961.db2.gz KVBOPUPVNXJEAU-FZMZJTMJSA-N 0 3 320.345 1.875 20 5 DDBDHN CC[C@H]([NH3+])C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764889 704621852 /nfs/dbraw/zinc/62/18/52/704621852.db2.gz DANMPTANBGRHGP-QMMMGPOBSA-N 0 3 303.265 1.420 20 5 DDBDHN O=C(CCN1CC=C[C@@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000880488785 706992045 /nfs/dbraw/zinc/99/20/45/706992045.db2.gz MAXCSNSEVZQFHI-LLVKDONJSA-N 0 3 309.297 1.295 20 5 DDBDHN CO[C@H]1CN(C)[C@@](C)(COC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000861343130 705434645 /nfs/dbraw/zinc/43/46/45/705434645.db2.gz YYEATNIWWZEMQO-IAQYHMDHSA-N 0 3 323.349 1.443 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000827137221 705938067 /nfs/dbraw/zinc/93/80/67/705938067.db2.gz VHAHOYQPYMMQOU-QLFBSQMISA-N 0 3 303.362 1.909 20 5 DDBDHN CS[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H]1N(C)C ZINC000827426505 705998070 /nfs/dbraw/zinc/99/80/70/705998070.db2.gz SAWUMMKBIUZZTE-WDEREUQCSA-N 0 3 303.428 1.326 20 5 DDBDHN C[C@@H](NC[C@H](O)COC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000880095338 706877113 /nfs/dbraw/zinc/87/71/13/706877113.db2.gz XWIDHAGSALNVLJ-HZSPNIEDSA-N 0 3 324.377 1.802 20 5 DDBDHN O=[N+]([O-])c1c(F)nccc1N1CCC(CN2CCOCC2)CC1 ZINC000881813313 707375652 /nfs/dbraw/zinc/37/56/52/707375652.db2.gz AABJIJJFHUPNJG-UHFFFAOYSA-N 0 3 324.356 1.678 20 5 DDBDHN Cc1nn(CN2C[C@@H]3COC[C@@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000872785591 707601328 /nfs/dbraw/zinc/60/13/28/707601328.db2.gz FKGMBANDEOVGJW-TXEJJXNPSA-N 0 3 302.334 1.789 20 5 DDBDHN CCN1CC[C@@H]1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000883360982 707984672 /nfs/dbraw/zinc/98/46/72/707984672.db2.gz QGWFEDDNPGTOBR-GFCCVEGCSA-N 0 3 307.350 1.550 20 5 DDBDHN COc1c(O)ccc(CN[C@H]2COC[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000898380076 708627883 /nfs/dbraw/zinc/62/78/83/708627883.db2.gz LHBUTHWEBUJVNZ-RYUDHWBXSA-N 0 3 308.334 1.824 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN1C ZINC000928456453 713204873 /nfs/dbraw/zinc/20/48/73/713204873.db2.gz RPLYOWIDVQDINW-GWCFXTLKSA-N 0 3 318.377 1.992 20 5 DDBDHN C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CN(C)CCN1C ZINC000895246835 711464619 /nfs/dbraw/zinc/46/46/19/711464619.db2.gz QNLVKDDNNJISRN-YGRLFVJLSA-N 0 3 318.381 1.517 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000914290942 713371616 /nfs/dbraw/zinc/37/16/16/713371616.db2.gz FIQKQXVWVFYDJR-ZWNOBZJWSA-N 0 3 322.365 1.495 20 5 DDBDHN CC[C@H](CO)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000916570485 713458293 /nfs/dbraw/zinc/45/82/93/713458293.db2.gz GJCSJKAZWRHGNL-MRVPVSSYSA-N 0 3 301.730 1.547 20 5 DDBDHN CC(C)N1CCC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000929407749 713604703 /nfs/dbraw/zinc/60/47/03/713604703.db2.gz HCTQLHOSXZKNOF-OAHLLOKOSA-N 0 3 320.393 1.996 20 5 DDBDHN Cc1cc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)c(N)c([N+](=O)[O-])c1 ZINC000923279122 714295309 /nfs/dbraw/zinc/29/53/09/714295309.db2.gz FOHFECAQWBNCKI-NWDGAFQWSA-N 0 3 318.377 1.794 20 5 DDBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(Cc2ccns2)CC1 ZINC001005382280 749933433 /nfs/dbraw/zinc/93/34/33/749933433.db2.gz PHSFYXCSJBAVKG-CHWSQXEVSA-N 0 3 324.406 1.231 20 5 DDBDHN O=C(CCc1c[nH]cn1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001128986401 750687877 /nfs/dbraw/zinc/68/78/77/750687877.db2.gz VIBBGSNOKXNDAS-UHFFFAOYSA-N 0 3 317.349 1.157 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)cn1 ZINC001212581751 762087681 /nfs/dbraw/zinc/08/76/81/762087681.db2.gz YDBUUOPMTYXHPQ-UHFFFAOYSA-N 0 3 324.300 1.748 20 5 DDBDHN CCN(CC)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001097185100 756957587 /nfs/dbraw/zinc/95/75/87/756957587.db2.gz QRMZERBKXUUZQI-TXEJJXNPSA-N 0 3 321.381 1.391 20 5 DDBDHN C[C@@H](Nc1ncc2cccc([N+](=O)[O-])c2n1)[C@H]1CNCCO1 ZINC001170566654 768172675 /nfs/dbraw/zinc/17/26/75/768172675.db2.gz AXNLIHASULEWHD-BXKDBHETSA-N 0 3 303.322 1.327 20 5 DDBDHN Cc1nnccc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001130864897 767770952 /nfs/dbraw/zinc/77/09/52/767770952.db2.gz KLSNJCABUQLTEU-UHFFFAOYSA-N 0 3 315.333 1.213 20 5 DDBDHN CC(C)(O)CC(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001266589024 836504106 /nfs/dbraw/zinc/50/41/06/836504106.db2.gz JLNMYRAGPJKJFR-JOCQHMNTSA-N 0 3 321.377 1.493 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001150119813 862098855 /nfs/dbraw/zinc/09/88/55/862098855.db2.gz LJLLJXDRMCAQIV-OTYXRUKQSA-N 0 3 304.350 1.390 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cscn1 ZINC001124737145 859798265 /nfs/dbraw/zinc/79/82/65/859798265.db2.gz KXAQSZPYPMRUJO-UHFFFAOYSA-N 0 3 306.347 1.571 20 5 DDBDHN COC(=O)c1ccnc(N2C[C@H]3[C@H](C2)CCCN3C)c1[N+](=O)[O-] ZINC001157265911 863694964 /nfs/dbraw/zinc/69/49/64/863694964.db2.gz LIBVLZJHMNBHNH-JQWIXIFHSA-N 0 3 320.349 1.307 20 5 DDBDHN CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC001331284353 864987559 /nfs/dbraw/zinc/98/75/59/864987559.db2.gz ZOPVMUBHPUBLEY-LBPRGKRZSA-N 0 3 320.393 1.875 20 5 DDBDHN C[C@H](Nc1cnc2ccc([N+](=O)[O-])cc2n1)[C@H]1CNCCO1 ZINC001159497453 865350525 /nfs/dbraw/zinc/35/05/25/865350525.db2.gz OAUOGJYFEDVDLK-TVQRCGJNSA-N 0 3 303.322 1.327 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])c(-n2cnc(CN)c2)cc1OC ZINC001162304517 867429812 /nfs/dbraw/zinc/42/98/12/867429812.db2.gz VAISUVSCWSZWKM-UHFFFAOYSA-N 0 3 306.278 1.034 20 5 DDBDHN CNc1cc([N+](=O)[O-])cnc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001163645437 868588238 /nfs/dbraw/zinc/58/82/38/868588238.db2.gz VRVNXILHXLAYIW-DZGCQCFKSA-N 0 3 321.381 1.745 20 5 DDBDHN O=[N+]([O-])c1cnc(N2CCN[C@@H](c3ccc(O)cc3)C2)c(F)c1 ZINC001164036189 868905844 /nfs/dbraw/zinc/90/58/44/868905844.db2.gz BKLDZXKMHALVBX-CQSZACIVSA-N 0 3 318.308 1.985 20 5 DDBDHN O=C1NCCC12CCN(Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC001336841232 869176983 /nfs/dbraw/zinc/17/69/83/869176983.db2.gz FUIPFHUWRSVOLD-UHFFFAOYSA-N 0 3 307.325 1.836 20 5 DDBDHN CCN(CC)C(=O)[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001164622304 869331819 /nfs/dbraw/zinc/33/18/19/869331819.db2.gz FRWDOEVLZCUBRM-SNVBAGLBSA-N 0 3 306.366 1.867 20 5 DDBDHN COC[C@]1(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCCCN1 ZINC001341741970 871798616 /nfs/dbraw/zinc/79/86/16/871798616.db2.gz WICZNGDCHHJNMJ-LRDDRELGSA-N 0 3 321.377 1.931 20 5 DDBDHN CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCN(C(C)(C)CC)CC1 ZINC001356353197 879010395 /nfs/dbraw/zinc/01/03/95/879010395.db2.gz YLMMCRZHHMKNTM-GFCCVEGCSA-N 0 3 324.429 1.946 20 5 DDBDHN CCN(CCO)CCNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001234581680 888118378 /nfs/dbraw/zinc/11/83/78/888118378.db2.gz IQALNDMNAPUFGZ-UHFFFAOYSA-N 0 3 324.381 1.017 20 5 DDBDHN COc1ccc(OCCN2CC[C@@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000248969477 282122302 /nfs/dbraw/zinc/12/23/02/282122302.db2.gz SKIBTXCYIIUYPB-RISCZKNCSA-N 0 3 310.350 1.685 20 5 DDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451624713 231141508 /nfs/dbraw/zinc/14/15/08/231141508.db2.gz BADDLCDEHNSWDT-TYNCELHUSA-N 0 3 318.377 1.558 20 5 DDBDHN CC[C@@H](CNS(C)(=O)=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000295025750 529493739 /nfs/dbraw/zinc/49/37/39/529493739.db2.gz LDQAVTAVURHXNH-LBPRGKRZSA-N 0 3 315.395 1.321 20 5 DDBDHN [NH3+]C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000087384142 185223294 /nfs/dbraw/zinc/22/32/94/185223294.db2.gz XRZDRJHRVIDZDN-JTQLQIEISA-N 0 3 319.770 1.264 20 5 DDBDHN COCCCN(C)CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255414109 282255546 /nfs/dbraw/zinc/25/55/46/282255546.db2.gz DSVZRLHBDONWON-TWGQIWQCSA-N 0 3 321.377 1.693 20 5 DDBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(O)c1 ZINC000181580279 199321801 /nfs/dbraw/zinc/32/18/01/199321801.db2.gz BIXWRIRFRARFLP-IINYFYTJSA-N 0 3 306.322 1.209 20 5 DDBDHN CN1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000292352946 529811707 /nfs/dbraw/zinc/81/17/07/529811707.db2.gz VOFNPVNQVFLDJQ-HNNXBMFYSA-N 0 3 307.325 1.902 20 5 DDBDHN Cc1nn(CCC(=O)NC(C)(C)CN(C)C)c(C)c1[N+](=O)[O-] ZINC000457203218 232012999 /nfs/dbraw/zinc/01/29/99/232012999.db2.gz IMIPHLCNZAMIEY-UHFFFAOYSA-N 0 3 311.386 1.255 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000299526827 530058050 /nfs/dbraw/zinc/05/80/50/530058050.db2.gz CNVIWFLRLGHIKQ-LLVKDONJSA-N 0 3 302.334 1.900 20 5 DDBDHN CCN1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000286770073 219157327 /nfs/dbraw/zinc/15/73/27/219157327.db2.gz ZUBHWUABKQBPCV-ZIAGYGMSSA-N 0 3 323.393 1.361 20 5 DDBDHN COCCN1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000141554981 186030641 /nfs/dbraw/zinc/03/06/41/186030641.db2.gz ULQROACAYCWQJB-UHFFFAOYSA-N 0 3 322.365 1.139 20 5 DDBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](OCCO)C2)c1 ZINC000172298875 198074543 /nfs/dbraw/zinc/07/45/43/198074543.db2.gz QHRMWKLIQDYILM-HNNXBMFYSA-N 0 3 310.350 1.447 20 5 DDBDHN CN1CCC[C@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000074160856 353296498 /nfs/dbraw/zinc/29/64/98/353296498.db2.gz AQVFYWMBYALQID-CYBMUJFWSA-N 0 3 320.393 1.778 20 5 DDBDHN C[C@H]1CCCN(CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000079914614 353581918 /nfs/dbraw/zinc/58/19/18/353581918.db2.gz OXQIHQHUSVPXJH-NSHDSACASA-N 0 3 306.366 1.838 20 5 DDBDHN C[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000093333663 353895736 /nfs/dbraw/zinc/89/57/36/353895736.db2.gz NDMHONBHJREZFC-RISCZKNCSA-N 0 3 307.350 1.626 20 5 DDBDHN CN(CCCN(C)C(=O)c1c[nH]nc1[N+](=O)[O-])Cc1ccco1 ZINC000588774919 354936215 /nfs/dbraw/zinc/93/62/15/354936215.db2.gz WJBBXWCHQMIRKD-UHFFFAOYSA-N 0 3 321.337 1.505 20 5 DDBDHN COc1ccc(CC(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590044220 355042455 /nfs/dbraw/zinc/04/24/55/355042455.db2.gz ISKOCPSNGZIHLT-GXTWGEPZSA-N 0 3 319.361 1.308 20 5 DDBDHN C[C@H](C(=O)N1CC[C@H]2CN(C)C[C@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000590045687 355043728 /nfs/dbraw/zinc/04/37/28/355043728.db2.gz SVRKMGJNYXVODN-ZIBATOQPSA-N 0 3 321.352 2.000 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC000590444722 355098750 /nfs/dbraw/zinc/09/87/50/355098750.db2.gz KEKZHHWPPQVFME-MEBBXXQBSA-N 0 3 314.345 1.852 20 5 DDBDHN CN1CC[C@@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000590720119 355155349 /nfs/dbraw/zinc/15/53/49/355155349.db2.gz UICIKPOQOHBTCY-SCZZXKLOSA-N 0 3 305.363 1.740 20 5 DDBDHN C[C@@H](C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000590776499 355176379 /nfs/dbraw/zinc/17/63/79/355176379.db2.gz OWMSTCBPFPZDDC-OSAQELSMSA-N 0 3 303.362 1.861 20 5 DDBDHN O=C([C@H]1CNCCC1(F)F)N1CCc2c1cccc2[N+](=O)[O-] ZINC000591667806 355357780 /nfs/dbraw/zinc/35/77/80/355357780.db2.gz ANQGPJXNBMWJHB-SNVBAGLBSA-N 0 3 311.288 1.729 20 5 DDBDHN CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000592431088 355581380 /nfs/dbraw/zinc/58/13/80/355581380.db2.gz ZMRFPCLIEJIXMN-GWCFXTLKSA-N 0 3 316.379 1.118 20 5 DDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000593448167 355888107 /nfs/dbraw/zinc/88/81/07/355888107.db2.gz IQKQNKYXDNUXEO-CQSZACIVSA-N 0 3 321.352 1.973 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCCC[C@@H]1CO ZINC000594017223 356089856 /nfs/dbraw/zinc/08/98/56/356089856.db2.gz VQWCGWKJPHVLBY-ZIAGYGMSSA-N 0 3 324.377 1.571 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CN)C(F)(F)F ZINC000594452089 356222628 /nfs/dbraw/zinc/22/26/28/356222628.db2.gz XIVBEDHXJOCTSF-SECBINFHSA-N 0 3 307.228 1.223 20 5 DDBDHN O=[N+]([O-])c1cc2c(nc1N1CCN3C[C@H](O)C[C@H]3C1)CCCC2 ZINC000594603721 356261530 /nfs/dbraw/zinc/26/15/30/356261530.db2.gz MDMFUQCUNHFNNA-QWHCGFSZSA-N 0 3 318.377 1.124 20 5 DDBDHN C[C@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)C1(CO)CC1 ZINC000594967889 356365475 /nfs/dbraw/zinc/36/54/75/356365475.db2.gz AGEWQASENKYPPZ-JTQLQIEISA-N 0 3 308.334 1.617 20 5 DDBDHN COCC1(NCc2ccc([N+](=O)[O-])cc2OC)CCOCC1 ZINC000595498946 356519672 /nfs/dbraw/zinc/51/96/72/356519672.db2.gz HYHHAGUDGNNSIX-UHFFFAOYSA-N 0 3 310.350 1.889 20 5 DDBDHN C[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1CCO ZINC000595695905 356612402 /nfs/dbraw/zinc/61/24/02/356612402.db2.gz JBFUFRFUZJUKGA-FZMZJTMJSA-N 0 3 321.377 1.677 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595744150 356632174 /nfs/dbraw/zinc/63/21/74/356632174.db2.gz TVXJDOXJUXFWST-RSUWNVLCSA-N 0 3 324.377 1.283 20 5 DDBDHN Cc1ccc(NC(=O)c2cn[n-]c2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595923676 356706499 /nfs/dbraw/zinc/70/64/99/356706499.db2.gz AWZRCFXZVCOOTK-JTQLQIEISA-N 0 3 315.333 1.956 20 5 DDBDHN CC(C)CN1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596052364 356754038 /nfs/dbraw/zinc/75/40/38/356754038.db2.gz DJVJXWPEWKPESB-UHFFFAOYSA-N 0 3 306.366 1.472 20 5 DDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000596816516 356984695 /nfs/dbraw/zinc/98/46/95/356984695.db2.gz JDNDLTZQVKXMJB-JTQLQIEISA-N 0 3 307.354 1.406 20 5 DDBDHN CC(=O)NCC[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000347670950 283251035 /nfs/dbraw/zinc/25/10/35/283251035.db2.gz YDJLZRQJVRLCTL-CYBMUJFWSA-N 0 3 309.370 1.030 20 5 DDBDHN COc1c(C(=O)N2CCN[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000598571968 357637230 /nfs/dbraw/zinc/63/72/30/357637230.db2.gz ITRDOMWHZDOUQY-GFCCVEGCSA-N 0 3 307.350 1.673 20 5 DDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)Nc1ccc([N+](=O)[O-])cc1F ZINC000598916405 357757373 /nfs/dbraw/zinc/75/73/73/357757373.db2.gz YFMVEMLCJGEYSR-YUMQZZPRSA-N 0 3 300.265 1.555 20 5 DDBDHN CC[C@H]1CN(C)CCCN1c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000601192550 358441121 /nfs/dbraw/zinc/44/11/21/358441121.db2.gz WRZFDEIKWGJSEF-ZDUSSCGKSA-N 0 3 320.393 1.875 20 5 DDBDHN CS[C@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000602797270 359199156 /nfs/dbraw/zinc/19/91/56/359199156.db2.gz IBPQQAYJLGVXTI-RYUDHWBXSA-N 0 3 313.427 1.077 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281153034 216115474 /nfs/dbraw/zinc/11/54/74/216115474.db2.gz FQZXGBYUFUHSQA-OCCSQVGLSA-N 0 3 305.334 1.834 20 5 DDBDHN CC[C@@H](CN1CCCC1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000609833272 360353820 /nfs/dbraw/zinc/35/38/20/360353820.db2.gz FVHUSXLVXQMZAU-ZDUSSCGKSA-N 0 3 321.377 1.964 20 5 DDBDHN Cc1cnc(N2CCCN(C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000610489135 360450003 /nfs/dbraw/zinc/45/00/03/360450003.db2.gz FTQYOOWDKKMGBF-AWEZNQCLSA-N 0 3 320.393 1.989 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](n2ccnc2)C1 ZINC000611185063 360652831 /nfs/dbraw/zinc/65/28/31/360652831.db2.gz HAEWWYZKLCMALE-CYBMUJFWSA-N 0 3 317.349 1.290 20 5 DDBDHN COc1cc(CNCC2=CCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000271856168 209271367 /nfs/dbraw/zinc/27/13/67/209271367.db2.gz UXNZJOJAEPAUBO-UHFFFAOYSA-N 0 3 321.377 1.964 20 5 DDBDHN Cc1ccc([C@@H](C)NC(=O)[C@H](N)C2CCOCC2)cc1[N+](=O)[O-] ZINC000261884880 203143640 /nfs/dbraw/zinc/14/36/40/203143640.db2.gz UZGSTQGRRLGZJX-IAQYHMDHSA-N 0 3 321.377 1.834 20 5 DDBDHN O=C(N[C@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])cc1Cl ZINC000449658768 284245529 /nfs/dbraw/zinc/24/55/29/284245529.db2.gz UIOYTHRHRJVDMG-JTQLQIEISA-N 0 3 319.695 1.975 20 5 DDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCN1C ZINC000282728791 217206371 /nfs/dbraw/zinc/20/63/71/217206371.db2.gz LAZWGSFMDIEBQJ-OAHLLOKOSA-N 0 3 320.393 1.873 20 5 DDBDHN C[C@@H](c1ccc(F)cc1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266416827 205331396 /nfs/dbraw/zinc/33/13/96/205331396.db2.gz HORHLHQYLUZQQV-NHYWBVRUSA-N 0 3 322.340 1.984 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC1CC(F)(F)C1 ZINC000567043450 304194374 /nfs/dbraw/zinc/19/43/74/304194374.db2.gz XFDIPQICPOPHRQ-SNVBAGLBSA-N 0 3 302.277 1.722 20 5 DDBDHN NC(=O)C[C@@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000339136978 250309326 /nfs/dbraw/zinc/30/93/26/250309326.db2.gz NVMKYTOOKRRBMK-LBPRGKRZSA-N 0 3 307.350 1.704 20 5 DDBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000341058941 251360422 /nfs/dbraw/zinc/36/04/22/251360422.db2.gz LQGPPCVYYBMZBX-CHWSQXEVSA-N 0 3 323.397 1.561 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc2c(c1)CNCC2 ZINC000269228983 207350908 /nfs/dbraw/zinc/35/09/08/207350908.db2.gz VBHALQAQMAQJLZ-UHFFFAOYSA-N 0 3 315.333 1.384 20 5 DDBDHN COc1ccc(CNc2ccn(CCN(C)C)n2)cc1[N+](=O)[O-] ZINC000119835609 195046562 /nfs/dbraw/zinc/04/65/62/195046562.db2.gz QFLZLJDZOWFPFM-UHFFFAOYSA-N 0 3 319.365 1.974 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN(CCO)[C@H]2CCc3ccccc32)n1 ZINC000176242618 285167991 /nfs/dbraw/zinc/16/79/91/285167991.db2.gz FRUCHYSLPTTYSD-HNNXBMFYSA-N 0 3 316.361 1.773 20 5 DDBDHN C[C@@H](NC(=O)N1CCOC2(CNC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000417128017 533127783 /nfs/dbraw/zinc/12/77/83/533127783.db2.gz HIDZTWNUZDOXBD-LLVKDONJSA-N 0 3 320.349 1.040 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCCNCC1 ZINC000417191737 533221006 /nfs/dbraw/zinc/22/10/06/533221006.db2.gz ZYHBGMLRRROPRJ-UHFFFAOYSA-N 0 3 308.338 1.108 20 5 DDBDHN COc1cc(C(=O)N2CC[C@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000292364528 533525469 /nfs/dbraw/zinc/52/54/69/533525469.db2.gz WHDZNWWUSNGCOW-INIZCTEOSA-N 0 3 319.361 1.771 20 5 DDBDHN COc1ccc(CNC(=O)N2C[C@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000417199858 533604603 /nfs/dbraw/zinc/60/46/03/533604603.db2.gz ZGJWATASVFFTFV-QWRGUYRKSA-N 0 3 322.365 1.495 20 5 DDBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCC1(O)CCOCC1 ZINC000084440061 407089490 /nfs/dbraw/zinc/08/94/90/407089490.db2.gz SEEZJHJCFSFBAL-UHFFFAOYSA-N 0 3 300.742 1.879 20 5 DDBDHN COC(=O)[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000066832886 407260366 /nfs/dbraw/zinc/26/03/66/407260366.db2.gz JLMMPGPZUXHHML-LBPRGKRZSA-N 0 3 308.334 1.859 20 5 DDBDHN C[C@H]1C[C@@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000123324416 407325620 /nfs/dbraw/zinc/32/56/20/407325620.db2.gz QWGILHCXAKEIEZ-STQMWFEESA-N 0 3 321.377 1.915 20 5 DDBDHN CC(=O)NC[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000067412547 407272945 /nfs/dbraw/zinc/27/29/45/407272945.db2.gz NSHJEQRPDLPIMG-AWEZNQCLSA-N 0 3 321.377 1.822 20 5 DDBDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000122487498 407302879 /nfs/dbraw/zinc/30/28/79/407302879.db2.gz USYKPTQJSFXTNJ-GFCCVEGCSA-N 0 3 324.381 1.191 20 5 DDBDHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000126131509 407405983 /nfs/dbraw/zinc/40/59/83/407405983.db2.gz IZKUHTCNYOHYDS-JTQLQIEISA-N 0 3 307.325 1.948 20 5 DDBDHN CN1CCN([C@@H]2CCCCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000127027037 407426056 /nfs/dbraw/zinc/42/60/56/407426056.db2.gz FXPCDCBJBWTJIZ-OAHLLOKOSA-N 0 3 319.409 1.596 20 5 DDBDHN CCN1CCN([C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000112917733 407444155 /nfs/dbraw/zinc/44/41/55/407444155.db2.gz VQEFANGUPPZSAW-ZDUSSCGKSA-N 0 3 320.393 1.351 20 5 DDBDHN CC(C)(C)[C@H](C[NH3+])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000261596110 407544780 /nfs/dbraw/zinc/54/47/80/407544780.db2.gz AQYXHKIZXAMRRA-NSHDSACASA-N 0 3 301.368 1.247 20 5 DDBDHN CC(C)(C)[C@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236682158 407750298 /nfs/dbraw/zinc/75/02/98/407750298.db2.gz QFZPLHUJHUADFZ-CQSZACIVSA-N 0 3 320.393 1.617 20 5 DDBDHN CN1CCC[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000153195311 407776871 /nfs/dbraw/zinc/77/68/71/407776871.db2.gz XBZSQMVLVPEEKY-CQSZACIVSA-N 0 3 305.378 1.985 20 5 DDBDHN CC(C)(CCS(C)(=O)=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000174637697 407973170 /nfs/dbraw/zinc/97/31/70/407973170.db2.gz XHWSHIIBZSWJIS-UHFFFAOYSA-N 0 3 300.380 1.898 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000272428618 407914440 /nfs/dbraw/zinc/91/44/40/407914440.db2.gz HJCOHNICAFFRFT-CHWSQXEVSA-N 0 3 321.381 1.042 20 5 DDBDHN C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1n1ccnc1 ZINC000245563804 408019624 /nfs/dbraw/zinc/01/96/24/408019624.db2.gz DBNCRLPUSOSBBL-CHWSQXEVSA-N 0 3 304.354 1.571 20 5 DDBDHN C[C@H](N[C@H](CC(N)=O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000181934275 408057402 /nfs/dbraw/zinc/05/74/02/408057402.db2.gz GRWSKKQOZHZGRM-XHDPSFHLSA-N 0 3 321.377 1.916 20 5 DDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000121239887 408168510 /nfs/dbraw/zinc/16/85/10/408168510.db2.gz KRXSLTVHWKYVIE-STQMWFEESA-N 0 3 321.377 1.772 20 5 DDBDHN CCCCNC(=O)[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221405 408315201 /nfs/dbraw/zinc/31/52/01/408315201.db2.gz CHWIDDVXVJJSMS-CYBMUJFWSA-N 0 3 323.397 1.420 20 5 DDBDHN NC(=O)CCN(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176199582 408306037 /nfs/dbraw/zinc/30/60/37/408306037.db2.gz PSDZWBUNXSVSHC-UHFFFAOYSA-N 0 3 317.349 1.169 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000246627080 408306089 /nfs/dbraw/zinc/30/60/89/408306089.db2.gz AQCXSAHEEAAVIC-MWLCHTKSSA-N 0 3 322.287 1.427 20 5 DDBDHN COCCN1CCC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173541958 162347847 /nfs/dbraw/zinc/34/78/47/162347847.db2.gz GJWRKIAQVCEZEK-HNNXBMFYSA-N 0 3 321.377 1.364 20 5 DDBDHN CC(C)N1CCC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000274466377 408416667 /nfs/dbraw/zinc/41/66/67/408416667.db2.gz KRKSQUOFAIIPAE-GFCCVEGCSA-N 0 3 309.370 1.170 20 5 DDBDHN CC(C)N1CCC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000274505627 408432060 /nfs/dbraw/zinc/43/20/60/408432060.db2.gz PZGDAKWDDVMJFT-LBPRGKRZSA-N 0 3 306.366 1.780 20 5 DDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000247523648 408486921 /nfs/dbraw/zinc/48/69/21/408486921.db2.gz WPZVXRQXTAEJLT-IUODEOHRSA-N 0 3 321.377 1.772 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177131096 408528150 /nfs/dbraw/zinc/52/81/50/408528150.db2.gz IPPDAVNWHXXDAH-DGCLKSJQSA-N 0 3 303.362 1.879 20 5 DDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176866516 408461666 /nfs/dbraw/zinc/46/16/66/408461666.db2.gz FGQZCAKNIMSQHN-JQWIXIFHSA-N 0 3 306.366 1.589 20 5 DDBDHN CN1CCN(CCC(C)(C)NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000184180259 408564108 /nfs/dbraw/zinc/56/41/08/408564108.db2.gz XKPJHOBJANNHGV-UHFFFAOYSA-N 0 3 324.381 1.334 20 5 DDBDHN NC1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000160909074 408536734 /nfs/dbraw/zinc/53/67/34/408536734.db2.gz ARDDCQOWASYMHB-UHFFFAOYSA-N 0 3 305.334 1.456 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000177162518 408538628 /nfs/dbraw/zinc/53/86/28/408538628.db2.gz GXZLDTRBHQKFAE-GXSJLCMTSA-N 0 3 304.350 1.653 20 5 DDBDHN CN1CC[C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000264697663 408543831 /nfs/dbraw/zinc/54/38/31/408543831.db2.gz SQUZSEYDZLHAHP-JTQLQIEISA-N 0 3 302.334 1.758 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C[NH3+])C2CC2)c1[N+](=O)[O-] ZINC000193294241 408709352 /nfs/dbraw/zinc/70/93/52/408709352.db2.gz TYIUNYNLYPACMT-LLVKDONJSA-N 0 3 313.379 1.227 20 5 DDBDHN CN(C)C/C=C/C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000265640993 408726578 /nfs/dbraw/zinc/72/65/78/408726578.db2.gz LYHCITYKEHPGOY-QPJJXVBHSA-N 0 3 318.377 1.361 20 5 DDBDHN CN(C)CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000194707235 408793552 /nfs/dbraw/zinc/79/35/52/408793552.db2.gz FUZWTQFTBVPCLI-UHFFFAOYSA-N 0 3 323.397 1.514 20 5 DDBDHN C[C@@H](CN1CCCCCC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000185429595 408806287 /nfs/dbraw/zinc/80/62/87/408806287.db2.gz QBFCPVRHJFQZFI-NSHDSACASA-N 0 3 309.370 1.323 20 5 DDBDHN CC(C)N1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000276191481 408824711 /nfs/dbraw/zinc/82/47/11/408824711.db2.gz IHQNGUUENJMOSD-NSHDSACASA-N 0 3 306.366 1.780 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000285754062 408856752 /nfs/dbraw/zinc/85/67/52/408856752.db2.gz KCJBPZNPLNBSJG-DGCLKSJQSA-N 0 3 321.381 1.185 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCOC[C@@H]1C ZINC000277297250 408914400 /nfs/dbraw/zinc/91/44/00/408914400.db2.gz CFCPFXQQBDEHCD-CMPLNLGQSA-N 0 3 323.349 1.557 20 5 DDBDHN COc1cc(C(=O)NCCN2CCCC2)cc([N+](=O)[O-])c1C ZINC000191285703 163180114 /nfs/dbraw/zinc/18/01/14/163180114.db2.gz BDEBCJZMHYEHSE-UHFFFAOYSA-N 0 3 307.350 1.737 20 5 DDBDHN Nc1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000277585744 408971963 /nfs/dbraw/zinc/97/19/63/408971963.db2.gz RXIFLFXTBKHNHI-ZDUSSCGKSA-N 0 3 318.377 1.924 20 5 DDBDHN CSC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000292297393 409019716 /nfs/dbraw/zinc/01/97/16/409019716.db2.gz CXSYZMMMOCSARM-GFCCVEGCSA-N 0 3 311.407 1.832 20 5 DDBDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000293638749 409152553 /nfs/dbraw/zinc/15/25/53/409152553.db2.gz JMTSGVJSMPYBGP-BXUZGUMPSA-N 0 3 307.350 1.122 20 5 DDBDHN CC(C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000283491102 409165754 /nfs/dbraw/zinc/16/57/54/409165754.db2.gz FEKZSLKCTLPNPD-JTQLQIEISA-N 0 3 314.363 1.029 20 5 DDBDHN CN(CC1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284113185 409278128 /nfs/dbraw/zinc/27/81/28/409278128.db2.gz UMWBOVJGYUUNMH-UHFFFAOYSA-N 0 3 324.356 1.730 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCOC1(C)C ZINC000295166920 409354388 /nfs/dbraw/zinc/35/43/88/409354388.db2.gz GALSIHFCGARVGU-ZDUSSCGKSA-N 0 3 307.350 1.999 20 5 DDBDHN O=[N+]([O-])c1c(NC[C@@H]2CN3CCC[C@@H]3CO2)nc2sccn21 ZINC000316905080 164024580 /nfs/dbraw/zinc/02/45/80/164024580.db2.gz XYHZFJRXEWLBRM-NXEZZACHSA-N 0 3 323.378 1.579 20 5 DDBDHN CC1CCN(C[C@H](O)CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000303981670 409555352 /nfs/dbraw/zinc/55/53/52/409555352.db2.gz GAOBLSSNNSOKOZ-OAHLLOKOSA-N 0 3 321.377 1.417 20 5 DDBDHN C[C@H]1CCN(C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000354007495 409595742 /nfs/dbraw/zinc/59/57/42/409595742.db2.gz QDQWECMOTXLDPT-LBPRGKRZSA-N 0 3 307.350 1.526 20 5 DDBDHN CS[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000342699382 409824547 /nfs/dbraw/zinc/82/45/47/409824547.db2.gz IFBTZDNRDDHWCZ-RYUDHWBXSA-N 0 3 324.406 1.176 20 5 DDBDHN CCc1n[nH]c(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000346144005 409818541 /nfs/dbraw/zinc/81/85/41/409818541.db2.gz UCIWFUGLJSCOKH-GHMZBOCLSA-N 0 3 323.397 1.873 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCNc1ccncc1 ZINC000346346541 409932050 /nfs/dbraw/zinc/93/20/50/409932050.db2.gz IKAOJXHOWXQQPQ-UHFFFAOYSA-N 0 3 315.333 1.954 20 5 DDBDHN Cc1n[nH]c(C(=O)NC[C@H](C)N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000354665354 410001645 /nfs/dbraw/zinc/00/16/45/410001645.db2.gz QLWMGJWPHVGUCC-ZJUUUORDSA-N 0 3 309.370 1.619 20 5 DDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N1CCCC[C@H]1C ZINC000343076668 410125430 /nfs/dbraw/zinc/12/54/30/410125430.db2.gz NHECTAVUUKKFOV-VXGBXAGGSA-N 0 3 308.382 1.926 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCCN1C ZINC000343472889 410479551 /nfs/dbraw/zinc/47/95/51/410479551.db2.gz ZGDWPQBAXGHDIO-STQMWFEESA-N 0 3 320.393 1.630 20 5 DDBDHN Cc1sc(C(=O)NC[C@@](C)(O)CCN(C)C)cc1[N+](=O)[O-] ZINC000352124956 410499111 /nfs/dbraw/zinc/49/91/11/410499111.db2.gz CBUSVEKGBDTYKD-ZDUSSCGKSA-N 0 3 315.395 1.397 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](N2CC=CC2)C1 ZINC000301449454 410724367 /nfs/dbraw/zinc/72/43/67/410724367.db2.gz LALNLNBCNSGZNK-CYBMUJFWSA-N 0 3 316.361 1.405 20 5 DDBDHN CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@H]1CCN(C2CC2)C1 ZINC000347928160 410795326 /nfs/dbraw/zinc/79/53/26/410795326.db2.gz UUJBQVVWBLMHSQ-NSHDSACASA-N 0 3 322.340 1.625 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C)[C@@H](O)C1 ZINC000330652072 410849751 /nfs/dbraw/zinc/84/97/51/410849751.db2.gz KLMZZELQQXHDAC-DOMZBBRYSA-N 0 3 321.377 1.935 20 5 DDBDHN CCN(C)CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353494859 411029923 /nfs/dbraw/zinc/02/99/23/411029923.db2.gz GHELZFQKHSRGEV-OAHLLOKOSA-N 0 3 317.393 1.959 20 5 DDBDHN CN(CCc1ccccc1O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000344230935 411042721 /nfs/dbraw/zinc/04/27/21/411042721.db2.gz YYCHRQHRAPDORL-AWEZNQCLSA-N 0 3 320.349 1.032 20 5 DDBDHN NC1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000295812847 225266510 /nfs/dbraw/zinc/26/65/10/225266510.db2.gz UECKHOWAVJCWSZ-UHFFFAOYSA-N 0 3 304.350 1.125 20 5 DDBDHN C[C@H]1COCCN1CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000374173167 418500176 /nfs/dbraw/zinc/50/01/76/418500176.db2.gz HETUWDNFOSHJLS-ZDUSSCGKSA-N 0 3 323.397 1.149 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)CC(C)C)n1 ZINC000191804023 222110250 /nfs/dbraw/zinc/11/02/50/222110250.db2.gz KMFBQOVHXKOUQN-UHFFFAOYSA-N 0 3 311.386 1.471 20 5 DDBDHN COC(=O)C[C@@]1(NC/C=C\c2ccccc2[N+](=O)[O-])CCOC1 ZINC000361740267 418703810 /nfs/dbraw/zinc/70/38/10/418703810.db2.gz HDMAIKLHBFDECB-LEXSJLIMSA-N 0 3 320.345 1.920 20 5 DDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368216278 418704425 /nfs/dbraw/zinc/70/44/25/418704425.db2.gz RCUCUXWXLVVIEF-UWVGGRQHSA-N 0 3 310.329 1.091 20 5 DDBDHN COCc1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000390921667 418756170 /nfs/dbraw/zinc/75/61/70/418756170.db2.gz HSEXDCKVRNJPID-OAHLLOKOSA-N 0 3 320.349 1.088 20 5 DDBDHN Cc1c(CN[C@@H](C2CC2)[C@@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000423071726 227336448 /nfs/dbraw/zinc/33/64/48/227336448.db2.gz ICDMGJUOXPJSFQ-HOTGVXAUSA-N 0 3 305.378 1.760 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCCN([C@@H](C)CO)CC1 ZINC000364922016 418822230 /nfs/dbraw/zinc/82/22/30/418822230.db2.gz LUSBLPVFAFVWCZ-AWEZNQCLSA-N 0 3 307.394 1.792 20 5 DDBDHN O=C1NC[C@@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]12 ZINC000365655246 418890154 /nfs/dbraw/zinc/89/01/54/418890154.db2.gz IHTQXHIZRLQKBK-KBUVRSHFSA-N 0 3 301.346 1.676 20 5 DDBDHN CC(C)(NC[C@H](O)CN1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000429229195 419990657 /nfs/dbraw/zinc/99/06/57/419990657.db2.gz GZMNJNOSQJZKMA-ZDUSSCGKSA-N 0 3 323.393 1.113 20 5 DDBDHN CC1(C)CCCN[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423729227 420146630 /nfs/dbraw/zinc/14/66/30/420146630.db2.gz UQMTVWQWNWKYTE-LBPRGKRZSA-N 0 3 317.349 2.188 20 5 DDBDHN CN(C(=O)CN1C[C@H]2CCC[C@@H](C1)N2)c1ccc([N+](=O)[O-])cc1 ZINC000420351556 420229987 /nfs/dbraw/zinc/22/99/87/420229987.db2.gz XHDJXZNXPRVMKN-BETUJISGSA-N 0 3 318.377 1.384 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])c1 ZINC000420469945 420305936 /nfs/dbraw/zinc/30/59/36/420305936.db2.gz WHHASRKAJPJZNT-LBPRGKRZSA-N 0 3 315.395 1.555 20 5 DDBDHN CS[C@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000420598116 420326554 /nfs/dbraw/zinc/32/65/54/420326554.db2.gz BOWADWBAMBMFQR-NEPJUHHUSA-N 0 3 324.406 1.176 20 5 DDBDHN CCN1CCCC[C@H]1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000439162719 420482611 /nfs/dbraw/zinc/48/26/11/420482611.db2.gz ZUOPFRSNRSMDFD-NSHDSACASA-N 0 3 306.366 1.980 20 5 DDBDHN CO[C@H]1C[C@@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000451497518 420602274 /nfs/dbraw/zinc/60/22/74/420602274.db2.gz MTFPVWVGBVVIKQ-KGLIPLIRSA-N 0 3 321.377 1.961 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-]CC2=CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000440843705 420612368 /nfs/dbraw/zinc/61/23/68/420612368.db2.gz LYMLNEKAARHVLH-UHFFFAOYSA-N 0 3 311.363 1.101 20 5 DDBDHN CCO[C@@H]1CCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000452010160 420617923 /nfs/dbraw/zinc/61/79/23/420617923.db2.gz DMUOMWKYJVJETE-TZMCWYRMSA-N 0 3 307.350 1.741 20 5 DDBDHN CCN1CC[C@H](NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493700483 420919163 /nfs/dbraw/zinc/91/91/63/420919163.db2.gz XREIQTVPRSKORQ-AGLBCWCQSA-N 0 3 307.325 1.958 20 5 DDBDHN CC(C)[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCN1C ZINC000487084096 421001386 /nfs/dbraw/zinc/00/13/86/421001386.db2.gz JDARCFMHSUJSTC-LLVKDONJSA-N 0 3 304.354 1.414 20 5 DDBDHN CN(C)CCO[C@@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000450392269 421192283 /nfs/dbraw/zinc/19/22/83/421192283.db2.gz SKZZLVKLJBQKFJ-GFCCVEGCSA-N 0 3 319.365 1.628 20 5 DDBDHN C[C@@]1(CO)CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000546104472 421285456 /nfs/dbraw/zinc/28/54/56/421285456.db2.gz KHFGXGRUUMSMHX-ZFWWWQNUSA-N 0 3 310.350 1.181 20 5 DDBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000516490537 421548249 /nfs/dbraw/zinc/54/82/49/421548249.db2.gz TYMIBVISCYULJZ-NSHDSACASA-N 0 3 321.381 1.422 20 5 DDBDHN CC(=O)NCCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000563883721 421552192 /nfs/dbraw/zinc/55/21/92/421552192.db2.gz WBKNKDCSKNYUIX-UHFFFAOYSA-N 0 3 322.365 1.300 20 5 DDBDHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000570826066 421672176 /nfs/dbraw/zinc/67/21/76/421672176.db2.gz YPRAOLZBOGRWJA-LLVKDONJSA-N 0 3 323.397 1.948 20 5 DDBDHN CN(C)C[C@@H]1CCCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000521518909 421790313 /nfs/dbraw/zinc/79/03/13/421790313.db2.gz UYDPRADEBIYBSK-LBPRGKRZSA-N 0 3 309.370 1.124 20 5 DDBDHN O=[N+]([O-])c1ccc2c(ccnc2NCCN2CC[C@H](O)C2)c1 ZINC000599199229 422404442 /nfs/dbraw/zinc/40/44/42/422404442.db2.gz HNEOJGJYVNLVJP-ZDUSSCGKSA-N 0 3 302.334 1.622 20 5 DDBDHN COc1c(C(=O)NC2(CN(C)C)CCC2)cccc1[N+](=O)[O-] ZINC000341945791 271254139 /nfs/dbraw/zinc/25/41/39/271254139.db2.gz KBXIEVJBPNEBGD-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN COC(=O)[C@@](C)(O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000343997907 271928702 /nfs/dbraw/zinc/92/87/02/271928702.db2.gz YDNUFDCETJTWJP-HNNXBMFYSA-N 0 3 310.350 1.729 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](O)C[C@H]1C ZINC000340904202 274118733 /nfs/dbraw/zinc/11/87/33/274118733.db2.gz JAGOJEHLMOKFGU-PWSUYJOCSA-N 0 3 323.349 1.387 20 5 DDBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@H]1N1CCCC1 ZINC000275831722 274183448 /nfs/dbraw/zinc/18/34/48/274183448.db2.gz OFRMZEQPXRNZIC-VXGBXAGGSA-N 0 3 309.395 1.401 20 5 DDBDHN C[C@@H](CO)[C@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000295726219 274228765 /nfs/dbraw/zinc/22/87/65/274228765.db2.gz LOJZTZIVEOIQLD-QWRGUYRKSA-N 0 3 307.350 1.090 20 5 DDBDHN CC(C)[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N(C)C ZINC000278155000 275666473 /nfs/dbraw/zinc/66/64/73/275666473.db2.gz OTNUQVHONPHHSR-AWEZNQCLSA-N 0 3 319.365 1.674 20 5 DDBDHN CCN1CCCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000287531620 276165395 /nfs/dbraw/zinc/16/53/95/276165395.db2.gz VQDKRMKFBRJXRO-UHFFFAOYSA-N 0 3 322.365 1.617 20 5 DDBDHN Cc1n[nH]c(C(=O)N(C)C(C)(C)CN2CCCC2)c1[N+](=O)[O-] ZINC000416332062 280187119 /nfs/dbraw/zinc/18/71/19/280187119.db2.gz FEGAFSBDOIODMP-UHFFFAOYSA-N 0 3 309.370 1.573 20 5 DDBDHN CN(C)CCc1ccccc1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000354200303 298361324 /nfs/dbraw/zinc/36/13/24/298361324.db2.gz SVFRHKWKZOKBKC-UHFFFAOYSA-N 0 3 317.349 1.685 20 5 DDBDHN CCCN1CCCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000363443246 300268664 /nfs/dbraw/zinc/26/86/64/300268664.db2.gz VLECRNJRYZBLGQ-UHFFFAOYSA-N 0 3 309.370 1.044 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C[C@H]21 ZINC000364307976 300373067 /nfs/dbraw/zinc/37/30/67/300373067.db2.gz NTTLXUNWYNSWHL-QMTHXVAHSA-N 0 3 304.350 1.343 20 5 DDBDHN Nc1ccc(NC2CCN([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000367837392 300894345 /nfs/dbraw/zinc/89/43/45/300894345.db2.gz XDBNTBZVHAMUKN-CYBMUJFWSA-N 0 3 306.366 1.842 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2c2ccccn2)c1 ZINC000530963065 303222760 /nfs/dbraw/zinc/22/27/60/303222760.db2.gz BJBIZILWCHPDFY-DZGCQCFKSA-N 0 3 317.349 1.384 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000357667895 306904746 /nfs/dbraw/zinc/90/47/46/306904746.db2.gz QNZSGMYQBQUEJZ-NSHDSACASA-N 0 3 315.395 1.522 20 5 DDBDHN COC(=O)[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000366655090 307078663 /nfs/dbraw/zinc/07/86/63/307078663.db2.gz PPHGCWNJCJYTCS-ZIAGYGMSSA-N 0 3 322.361 1.759 20 5 DDBDHN Nc1c(C(=O)N2CCC[C@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000371854997 307159005 /nfs/dbraw/zinc/15/90/05/307159005.db2.gz YNOWGOPPISNCLE-LBPRGKRZSA-N 0 3 318.377 1.877 20 5 DDBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@]1(F)CCNC1 ZINC000376789804 307256654 /nfs/dbraw/zinc/25/66/54/307256654.db2.gz MQGGLDNXFUIKLW-CYBMUJFWSA-N 0 3 315.732 1.908 20 5 DDBDHN O=C1NCC[C@@H]1CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000561470246 307926885 /nfs/dbraw/zinc/92/68/85/307926885.db2.gz BFHBYHOCGAJQCI-CYBMUJFWSA-N 0 3 318.377 1.243 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCC(F)(F)F ZINC000575981834 308284470 /nfs/dbraw/zinc/28/44/70/308284470.db2.gz ZLBJFQIEKWYJCB-VIFPVBQESA-N 0 3 308.256 1.877 20 5 DDBDHN CCOC(=O)CC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1C ZINC000385427966 325754159 /nfs/dbraw/zinc/75/41/59/325754159.db2.gz MHNLRAAHFNUVNF-CYBMUJFWSA-N 0 3 310.350 1.697 20 5 DDBDHN NC[C@@H]1c2ccccc2CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000582789374 337166446 /nfs/dbraw/zinc/16/64/46/337166446.db2.gz XSLZRBZNEGTKRX-OAHLLOKOSA-N 0 3 301.350 1.349 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCc3cn[nH]c3)C2)nc1 ZINC000459386770 534882536 /nfs/dbraw/zinc/88/25/36/534882536.db2.gz YOMQYNYVMYDKKM-GFCCVEGCSA-N 0 3 302.338 1.442 20 5 DDBDHN CC[NH+](CC)[C@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736532389 598498498 /nfs/dbraw/zinc/49/84/98/598498498.db2.gz CPKCUURLEFSULX-SECBINFHSA-N 0 3 320.357 1.312 20 5 DDBDHN CC[NH+](CC)[C@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736532389 598498500 /nfs/dbraw/zinc/49/85/00/598498500.db2.gz CPKCUURLEFSULX-SECBINFHSA-N 0 3 320.357 1.312 20 5 DDBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@@H+]1C ZINC000820665055 599589605 /nfs/dbraw/zinc/58/96/05/599589605.db2.gz DLEOMGJHWNNZIY-IUCAKERBSA-N 0 3 318.341 1.065 20 5 DDBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1C ZINC000820665055 599589607 /nfs/dbraw/zinc/58/96/07/599589607.db2.gz DLEOMGJHWNNZIY-IUCAKERBSA-N 0 3 318.341 1.065 20 5 DDBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1C ZINC000820665055 599589609 /nfs/dbraw/zinc/58/96/09/599589609.db2.gz DLEOMGJHWNNZIY-IUCAKERBSA-N 0 3 318.341 1.065 20 5 DDBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1C ZINC000820665055 599589611 /nfs/dbraw/zinc/58/96/11/599589611.db2.gz DLEOMGJHWNNZIY-IUCAKERBSA-N 0 3 318.341 1.065 20 5 DDBDHN CCCc1n[nH]c(C(=O)NCCN2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000773196438 697726611 /nfs/dbraw/zinc/72/66/11/697726611.db2.gz FFSIYVXBEIUUTA-JTQLQIEISA-N 0 3 309.370 1.485 20 5 DDBDHN O=C(CCN1C[C@@H]2C[C@]2(CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782618723 698752035 /nfs/dbraw/zinc/75/20/35/698752035.db2.gz OKBGYCILPRLILP-ZUZCIYMTSA-N 0 3 323.324 1.377 20 5 DDBDHN C[C@@H]1CCCN1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000742240120 699869513 /nfs/dbraw/zinc/86/95/13/699869513.db2.gz IXCMNUAFRWCGJD-SECBINFHSA-N 0 3 310.329 1.530 20 5 DDBDHN C[C@H]1CCCN1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000742240124 699869526 /nfs/dbraw/zinc/86/95/26/699869526.db2.gz IXCMNUAFRWCGJD-VIFPVBQESA-N 0 3 310.329 1.530 20 5 DDBDHN O=C(CN[C@H](CCO)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000771801500 701331375 /nfs/dbraw/zinc/33/13/75/701331375.db2.gz SDBHTNJGUKQAIQ-CQSZACIVSA-N 0 3 319.361 1.235 20 5 DDBDHN Cc1c(NC(=O)[C@@H](C)N[C@@H](CO)C2CC2)cccc1[N+](=O)[O-] ZINC000771814613 701332639 /nfs/dbraw/zinc/33/26/39/701332639.db2.gz ATGBZBUVSMMCTF-MFKMUULPSA-N 0 3 307.350 1.591 20 5 DDBDHN CCc1nc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1ccccc1F ZINC000813100757 702290181 /nfs/dbraw/zinc/29/01/81/702290181.db2.gz WNLJAZHSIOJLHH-VIFPVBQESA-N 0 3 322.296 1.791 20 5 DDBDHN CCc1ccccc1N1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813105519 702292995 /nfs/dbraw/zinc/29/29/95/702292995.db2.gz NWBASFDADONMAQ-AAEUAGOBSA-N 0 3 320.345 1.810 20 5 DDBDHN CCS(=O)(=O)c1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105104 702293288 /nfs/dbraw/zinc/29/32/88/702293288.db2.gz JNZQPCAYFRFUPE-SNVBAGLBSA-N 0 3 315.347 1.231 20 5 DDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1N1CCNC1=O ZINC000813107670 702293907 /nfs/dbraw/zinc/29/39/07/702293907.db2.gz QDJLDBHCKWJFFK-JTQLQIEISA-N 0 3 307.306 1.347 20 5 DDBDHN CC(COC(=O)c1ccn(-c2c(F)cccc2F)n1)[N+](=O)[O-] ZINC000813108892 702294985 /nfs/dbraw/zinc/29/49/85/702294985.db2.gz BSSQTYVZMMJURS-QMMMGPOBSA-N 0 3 311.244 1.973 20 5 DDBDHN CC(=O)N[C@@H](CC(=O)OCC(C)[N+](=O)[O-])c1ccc(C)cc1 ZINC000813108427 702295191 /nfs/dbraw/zinc/29/51/91/702295191.db2.gz FTTZVNQVEOIMRM-FZMZJTMJSA-N 0 3 308.334 1.771 20 5 DDBDHN CC(COC(=O)CCn1cc(Br)cn1)[N+](=O)[O-] ZINC000813111145 702297115 /nfs/dbraw/zinc/29/71/15/702297115.db2.gz OPNLFDVQQKXJBM-ZETCQYMHSA-N 0 3 306.116 1.244 20 5 DDBDHN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112280 702298067 /nfs/dbraw/zinc/29/80/67/702298067.db2.gz OWMOPJZQMMQFKO-XFDQCWFDSA-N 0 3 316.379 1.453 20 5 DDBDHN Cc1c(-c2noc(C[C@H]3CNCCO3)n2)cccc1[N+](=O)[O-] ZINC000843238771 702847712 /nfs/dbraw/zinc/84/77/12/702847712.db2.gz YYXCVZTWQKEDGS-JTQLQIEISA-N 0 3 304.306 1.484 20 5 DDBDHN C[C@H](CO)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000844417155 703028557 /nfs/dbraw/zinc/02/85/57/703028557.db2.gz SGDMYDVTKVHEOD-WBMJQRKESA-N 0 3 308.378 1.969 20 5 DDBDHN CC([C@@H](OC(=O)[C@@H]1CCC(=O)N1C)c1ccccc1F)[N+](=O)[O-] ZINC000845881855 703211957 /nfs/dbraw/zinc/21/19/57/703211957.db2.gz MMZRXQKZRJGRND-LJWDBELGSA-N 0 3 324.308 1.696 20 5 DDBDHN CC(COC(=O)[C@@H]1c2ccccc2C(=O)OC1(C)C)[N+](=O)[O-] ZINC000870378475 704015252 /nfs/dbraw/zinc/01/52/52/704015252.db2.gz XFHXDFZFGCOXDA-SKDRFNHKSA-N 0 3 307.302 1.928 20 5 DDBDHN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCOC2(CNC2)C1 ZINC000853246087 704224023 /nfs/dbraw/zinc/22/40/23/704224023.db2.gz SBNDHTDZWGUBEO-UHFFFAOYSA-N 0 3 311.725 1.063 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CCN(C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871153056 704232518 /nfs/dbraw/zinc/23/25/18/704232518.db2.gz DOOZUKHONCKKGV-UHFFFAOYSA-N 0 3 309.370 1.437 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CCN(C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871153056 704232521 /nfs/dbraw/zinc/23/25/21/704232521.db2.gz DOOZUKHONCKKGV-UHFFFAOYSA-N 0 3 309.370 1.437 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000820873754 704340992 /nfs/dbraw/zinc/34/09/92/704340992.db2.gz GUYKLJPLJCJWSS-NSHDSACASA-N 0 3 321.381 1.042 20 5 DDBDHN Cc1cc(C(=O)N2CCN[C@H](C(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000856484882 704530732 /nfs/dbraw/zinc/53/07/32/704530732.db2.gz JDBFVVUFNILXCK-LBPRGKRZSA-N 0 3 306.366 1.555 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)c(N)c([N+](=O)[O-])c1 ZINC000874839116 705194995 /nfs/dbraw/zinc/19/49/95/705194995.db2.gz TUIMWCDHTLGSAI-CHWSQXEVSA-N 0 3 318.377 1.794 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874842037 705196957 /nfs/dbraw/zinc/19/69/57/705196957.db2.gz ZNFYMKGSWSYDER-MNOVXSKESA-N 0 3 307.354 1.189 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874842037 705196958 /nfs/dbraw/zinc/19/69/58/705196958.db2.gz ZNFYMKGSWSYDER-MNOVXSKESA-N 0 3 307.354 1.189 20 5 DDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000874843459 705198564 /nfs/dbraw/zinc/19/85/64/705198564.db2.gz NMZLDTOULMOHFI-LSDHHAIUSA-N 0 3 318.377 1.702 20 5 DDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000874850679 705202995 /nfs/dbraw/zinc/20/29/95/705202995.db2.gz VUUDOEHAABRUPN-GJZGRUSLSA-N 0 3 303.362 1.832 20 5 DDBDHN CC(C)CN(CCN(C)C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825721418 705721730 /nfs/dbraw/zinc/72/17/30/705721730.db2.gz NBZCVADUDQAJEM-HNNXBMFYSA-N 0 3 323.393 1.674 20 5 DDBDHN CCN1CCCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865619160 706479336 /nfs/dbraw/zinc/47/93/36/706479336.db2.gz DCRQJOJEMOCCMO-UHFFFAOYSA-N 0 3 309.341 1.831 20 5 DDBDHN Nc1c(F)c(N2CC[C@@H]3[C@H]2CCCN3CCO)ccc1[N+](=O)[O-] ZINC000897221447 708259510 /nfs/dbraw/zinc/25/95/10/708259510.db2.gz NBLFYSJHYRECOP-GHMZBOCLSA-N 0 3 324.356 1.352 20 5 DDBDHN CN(C)C[C@@H](CO)Nc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000884509080 708318741 /nfs/dbraw/zinc/31/87/41/708318741.db2.gz WCGZVPOSWJJKOV-QMMMGPOBSA-N 0 3 307.272 1.948 20 5 DDBDHN CN(CCO)CCNc1c(Br)cccc1[N+](=O)[O-] ZINC000884826289 708388686 /nfs/dbraw/zinc/38/86/86/708388686.db2.gz VIAUHOMUVUYBJB-UHFFFAOYSA-N 0 3 318.171 1.693 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCN1C ZINC000928444790 713198906 /nfs/dbraw/zinc/19/89/06/713198906.db2.gz MLGGHNJTRINTNB-ONGXEEELSA-N 0 3 302.334 1.899 20 5 DDBDHN CN(CC1CN(C)C1)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000894540936 711171796 /nfs/dbraw/zinc/17/17/96/711171796.db2.gz QGTKPAFYFJANIU-UHFFFAOYSA-N 0 3 316.361 1.445 20 5 DDBDHN CN1CC[C@@H]1CNc1nc(NC[C@@H]2CCN2C)ccc1[N+](=O)[O-] ZINC000895770302 711601405 /nfs/dbraw/zinc/60/14/05/711601405.db2.gz LUBOMHMXXRLYHB-NWDGAFQWSA-N 0 3 320.397 1.222 20 5 DDBDHN CC(C)(CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000916572412 713458714 /nfs/dbraw/zinc/45/87/14/713458714.db2.gz GHJWHJXANNUUGU-UHFFFAOYSA-N 0 3 301.730 1.547 20 5 DDBDHN C[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000932348339 714315724 /nfs/dbraw/zinc/31/57/24/714315724.db2.gz MVJBYCKZTWJVDC-JSGCOSHPSA-N 0 3 310.350 1.445 20 5 DDBDHN CCC1(CC)CNC(=O)[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000933291452 714555973 /nfs/dbraw/zinc/55/59/73/714555973.db2.gz WXYLSOPLVIYSMJ-CQSZACIVSA-N 0 3 321.377 1.868 20 5 DDBDHN C/C(=C\C(=O)NC[C@@H]1C[C@@H](O)CN1C)c1ccc([N+](=O)[O-])cc1 ZINC000924982052 714714917 /nfs/dbraw/zinc/71/49/17/714714917.db2.gz OPLBNAWKSQZRGY-PFYGFVOHSA-N 0 3 319.361 1.179 20 5 DDBDHN O=C(CCc1cnc[nH]1)NCCNCc1csc([N+](=O)[O-])c1 ZINC001128986006 750681112 /nfs/dbraw/zinc/68/11/12/750681112.db2.gz AZQFVTARDLSEES-UHFFFAOYSA-N 0 3 323.378 1.218 20 5 DDBDHN COC(=O)Cc1ccc(-n2ccc([C@H](C)N)n2)cc1[N+](=O)[O-] ZINC001169232493 762293329 /nfs/dbraw/zinc/29/33/29/762293329.db2.gz FWUGKJVSCLKBMP-VIFPVBQESA-N 0 3 304.306 1.516 20 5 DDBDHN CCOC(=O)c1ccc(-n2ccc([C@H](C)N)n2)c([N+](=O)[O-])c1 ZINC001169235649 762300252 /nfs/dbraw/zinc/30/02/52/762300252.db2.gz YXCMKUINHDZDAD-VIFPVBQESA-N 0 3 304.306 1.977 20 5 DDBDHN COc1ncc([N+](=O)[O-])c(N2CCCc3ccc(CN)nc32)n1 ZINC001169584498 762544521 /nfs/dbraw/zinc/54/45/21/762544521.db2.gz QXLYECDOMZWKKE-UHFFFAOYSA-N 0 3 316.321 1.331 20 5 DDBDHN Cc1c(CN[C@@H](C)[C@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC001120040840 758199147 /nfs/dbraw/zinc/19/91/47/758199147.db2.gz PWSMXUJXVKSHKC-AAEUAGOBSA-N 0 3 312.391 1.816 20 5 DDBDHN CC(=O)N1CCC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CNC3)C1 ZINC001168779012 761754820 /nfs/dbraw/zinc/75/48/20/761754820.db2.gz FZWYNENUZVEWRH-LBPRGKRZSA-N 0 3 318.377 1.868 20 5 DDBDHN CCCN(C)CC(=O)N(C)CCCNc1ncccc1[N+](=O)[O-] ZINC001109496377 763754990 /nfs/dbraw/zinc/75/49/90/763754990.db2.gz RQEIRQBWVSQSLM-UHFFFAOYSA-N 0 3 323.397 1.592 20 5 DDBDHN CCOC(=O)c1cc(N[C@@H](C)[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001170574707 768225657 /nfs/dbraw/zinc/22/56/57/768225657.db2.gz NYVKHNDMPGVFKD-IINYFYTJSA-N 0 3 323.349 1.560 20 5 DDBDHN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(Cc2cncs2)CC1 ZINC001045437273 766305796 /nfs/dbraw/zinc/30/57/96/766305796.db2.gz KZODUJRBLJGQFD-VXGBXAGGSA-N 0 3 324.406 1.279 20 5 DDBDHN CCc1nocc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001133484946 769905294 /nfs/dbraw/zinc/90/52/94/769905294.db2.gz NOIXGEOKWGALOI-UHFFFAOYSA-N 0 3 318.333 1.665 20 5 DDBDHN Cc1ccn(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)n1 ZINC001134002129 770537877 /nfs/dbraw/zinc/53/78/77/770537877.db2.gz KGWYPKQEXJGGPB-UHFFFAOYSA-N 0 3 317.349 1.006 20 5 DDBDHN Cc1[nH]cnc1CC(=O)NCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001093777254 775101254 /nfs/dbraw/zinc/10/12/54/775101254.db2.gz ZKZZRDMQROPEMC-UHFFFAOYSA-N 0 3 317.349 1.706 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H]2CCNC2=O)c1F ZINC001173175623 777034368 /nfs/dbraw/zinc/03/43/68/777034368.db2.gz CAIZCIOBMMOJAP-PSASIEDQSA-N 0 3 311.313 1.152 20 5 DDBDHN Cc1cc(NCCN(C)C(=O)CN2CCCC2)ncc1[N+](=O)[O-] ZINC001101633535 777330047 /nfs/dbraw/zinc/33/00/47/777330047.db2.gz XDZFEPNWDOKNEX-UHFFFAOYSA-N 0 3 321.381 1.264 20 5 DDBDHN CCCN(C)CC(=O)N(C)CCNc1ccccc1[N+](=O)[O-] ZINC001101704707 777415087 /nfs/dbraw/zinc/41/50/87/777415087.db2.gz XWFNQPSJONLTKV-UHFFFAOYSA-N 0 3 308.382 1.807 20 5 DDBDHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cocn1 ZINC001268437891 840187404 /nfs/dbraw/zinc/18/74/04/840187404.db2.gz AXJALHISHHISGS-UHFFFAOYSA-N 0 3 318.333 1.835 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NCCN1CCN(C)C(C)(C)C1 ZINC001326449238 861379018 /nfs/dbraw/zinc/37/90/18/861379018.db2.gz KWFAHXZEXWGBQC-UHFFFAOYSA-N 0 3 307.398 1.158 20 5 DDBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1c2ccccc2nc1[C@@H](C)N ZINC001155255766 861902780 /nfs/dbraw/zinc/90/27/80/861902780.db2.gz WMJXLKVRZOBAIZ-SNVBAGLBSA-N 0 3 313.317 1.895 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001150119815 862099973 /nfs/dbraw/zinc/09/99/73/862099973.db2.gz LJLLJXDRMCAQIV-YMTOWFKASA-N 0 3 304.350 1.390 20 5 DDBDHN Nc1nc(N[C@H]2CCCC[C@@]23CNCCO3)ccc1[N+](=O)[O-] ZINC001155826742 862481690 /nfs/dbraw/zinc/48/16/90/862481690.db2.gz PSBYOLMJJACTSN-SMDDNHRTSA-N 0 3 307.354 1.285 20 5 DDBDHN C[NH+](C)[C@@H]1CC[C@@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]2C1 ZINC001333874920 867101126 /nfs/dbraw/zinc/10/11/26/867101126.db2.gz DCHXNAOIEJINDD-IJLUTSLNSA-N 0 3 306.366 1.862 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CN2CCC1CC2 ZINC001163393456 868411998 /nfs/dbraw/zinc/41/19/98/868411998.db2.gz ZIKGHIZUCTXTAW-AWEZNQCLSA-N 0 3 305.334 1.888 20 5 DDBDHN O=[N+]([O-])c1cc2c(ncnc2N2CC(N[C@@H]3CCOC3)C2)s1 ZINC001472888319 878324247 /nfs/dbraw/zinc/32/42/47/878324247.db2.gz HITQVWSGJWVXGT-MRVPVSSYSA-N 0 3 321.362 1.167 20 5 DDBDHN COC(=O)[C@@H](O[C@@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC001223644523 881039848 /nfs/dbraw/zinc/03/98/48/881039848.db2.gz VHJWCLKWPXEDKR-RISCZKNCSA-N 0 3 308.334 1.920 20 5 DDBDHN COC(=O)c1cnc(O[C@@H]2CCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC001233863026 887398715 /nfs/dbraw/zinc/39/87/15/887398715.db2.gz UUMVVFRAYCLXKE-LLVKDONJSA-N 0 3 309.322 1.638 20 5 DDBDHN CN1CCC(Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC001234363208 887907723 /nfs/dbraw/zinc/90/77/23/887907723.db2.gz YVCHCTCLJKMTGD-UHFFFAOYSA-N 0 3 321.377 1.904 20 5 DDBDHN CCc1n[nH]c(C(=O)N(C)C2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000331308988 529465142 /nfs/dbraw/zinc/46/51/42/529465142.db2.gz YDBOCQGXGZNGIC-UHFFFAOYSA-N 0 3 309.370 1.437 20 5 DDBDHN CCc1[nH]nc(C(=O)N(C)C2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000331308988 529465144 /nfs/dbraw/zinc/46/51/44/529465144.db2.gz YDBOCQGXGZNGIC-UHFFFAOYSA-N 0 3 309.370 1.437 20 5 DDBDHN CN1C(=O)CC[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000424203316 530041181 /nfs/dbraw/zinc/04/11/81/530041181.db2.gz KBUCXEYXRCEWOA-FVOPLDGLSA-N 0 3 303.318 1.345 20 5 DDBDHN CCn1ccc(CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000616786193 362818786 /nfs/dbraw/zinc/81/87/86/362818786.db2.gz NXBYJUKGJFPNBT-CQSZACIVSA-N 0 3 307.354 1.106 20 5 DDBDHN C[C@@H]1[C@H](N(C)C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000601227821 358455815 /nfs/dbraw/zinc/45/58/15/358455815.db2.gz WPPMBDMHPGURDE-ZWNOBZJWSA-N 0 3 320.349 1.084 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CC[C@H](C)C1 ZINC000617353072 363066880 /nfs/dbraw/zinc/06/68/80/363066880.db2.gz USZZUBHCSOQZES-NSHDSACASA-N 0 3 307.350 1.675 20 5 DDBDHN CN1CCN(C(C)(C)CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000037562654 352297028 /nfs/dbraw/zinc/29/70/28/352297028.db2.gz GDBYNOGGXZUDOS-UHFFFAOYSA-N 0 3 312.439 1.772 20 5 DDBDHN COc1ccc(CC(=O)NC[C@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000068195973 353095521 /nfs/dbraw/zinc/09/55/21/353095521.db2.gz DCGFADAGLZPPHE-NSHDSACASA-N 0 3 321.377 1.745 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(Cl)s2)c1 ZINC000071308413 353192578 /nfs/dbraw/zinc/19/25/78/353192578.db2.gz UBVXKSFOIULNPW-SECBINFHSA-N 0 3 316.770 1.657 20 5 DDBDHN CCCN1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000074074008 353289427 /nfs/dbraw/zinc/28/94/27/353289427.db2.gz WBQLHEXWVFULBK-UHFFFAOYSA-N 0 3 320.393 1.951 20 5 DDBDHN CCN1CCN(CCCNc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074740456 353327809 /nfs/dbraw/zinc/32/78/09/353327809.db2.gz GGUOUHPVIVRLNB-UHFFFAOYSA-N 0 3 307.398 1.738 20 5 DDBDHN CN(CCN1CCCC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000112746589 353974584 /nfs/dbraw/zinc/97/45/84/353974584.db2.gz NFWKWUIJIXSMRB-UHFFFAOYSA-N 0 3 306.366 1.832 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H](CO)CC2)c1 ZINC000293114307 354454090 /nfs/dbraw/zinc/45/40/90/354454090.db2.gz LVKSBXOYNPTBIA-ZFWWWQNUSA-N 0 3 324.377 1.429 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C[C@@H](C)[NH3+])cc1C ZINC000320756189 354529424 /nfs/dbraw/zinc/52/94/24/354529424.db2.gz WNKUKTKPDNVEGU-MNOVXSKESA-N 0 3 315.395 1.616 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3CCC[C@@H]3C2)c1 ZINC000316903138 354506958 /nfs/dbraw/zinc/50/69/58/354506958.db2.gz PAOXBICMQAWGIS-GFCCVEGCSA-N 0 3 305.334 1.666 20 5 DDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H](CO)CN1CCCC1 ZINC000588870004 354945225 /nfs/dbraw/zinc/94/52/25/354945225.db2.gz SDJDNTOTMORMLB-AWEZNQCLSA-N 0 3 321.377 1.100 20 5 DDBDHN C[C@@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CN1C1CC1 ZINC000589584122 355002107 /nfs/dbraw/zinc/00/21/07/355002107.db2.gz GCANXYHTCVQIKG-SKDRFNHKSA-N 0 3 306.366 1.706 20 5 DDBDHN C[C@H](C(=O)N1CC[C@H]2CN(C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000590045606 355043354 /nfs/dbraw/zinc/04/33/54/355043354.db2.gz SKKDWERJXVPTKH-CORIIIEPSA-N 0 3 303.362 1.861 20 5 DDBDHN COC[C@@]1(CO)CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590763173 355171032 /nfs/dbraw/zinc/17/10/32/355171032.db2.gz PFROAHRSGSYUOW-INIZCTEOSA-N 0 3 324.377 1.695 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000591534392 355324370 /nfs/dbraw/zinc/32/43/70/355324370.db2.gz AHTTUCVQQBOUDM-IUODEOHRSA-N 0 3 303.362 1.988 20 5 DDBDHN C[C@H](C[S@](C)=O)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591760704 355379680 /nfs/dbraw/zinc/37/96/80/355379680.db2.gz PTSRWDSEZFCDCO-UZJPJQLHSA-N 0 3 313.379 1.280 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cnc3c(c2)CNCC3)n1 ZINC000591681418 355360952 /nfs/dbraw/zinc/36/09/52/355360952.db2.gz UOMPDDBPFZUQQY-UHFFFAOYSA-N 0 3 316.321 1.104 20 5 DDBDHN CN(CCN1CCCCC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000593111540 355802597 /nfs/dbraw/zinc/80/25/97/355802597.db2.gz FZGSSLJGLYREMC-UHFFFAOYSA-N 0 3 320.393 1.951 20 5 DDBDHN CN(C)C[C@@H]1CCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593448897 355887944 /nfs/dbraw/zinc/88/79/44/355887944.db2.gz QSLCCTRXGCSRJR-ZDUSSCGKSA-N 0 3 309.341 1.829 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000593485966 355900510 /nfs/dbraw/zinc/90/05/10/355900510.db2.gz DRZSJBMUUCYXHG-MFKMUULPSA-N 0 3 309.341 1.875 20 5 DDBDHN C[C@@H](O)CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594055360 356101633 /nfs/dbraw/zinc/10/16/33/356101633.db2.gz KZDXKESHWMJTCX-RISCZKNCSA-N 0 3 310.350 1.180 20 5 DDBDHN C[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000594503448 356238778 /nfs/dbraw/zinc/23/87/78/356238778.db2.gz WPPDNACTMDYSLI-SGIREYDYSA-N 0 3 305.378 1.891 20 5 DDBDHN C[C@H](CO)[C@@H]1CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595679781 356608074 /nfs/dbraw/zinc/60/80/74/356608074.db2.gz YCZWQXSMSAQCKQ-RISCZKNCSA-N 0 3 321.377 1.677 20 5 DDBDHN C[C@@H](CO)[C@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595679067 356606772 /nfs/dbraw/zinc/60/67/72/356606772.db2.gz UTICLVPURXOESR-GXTWGEPZSA-N 0 3 309.366 1.239 20 5 DDBDHN Nc1c(F)c(NCCCN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000596085914 356767298 /nfs/dbraw/zinc/76/72/98/356767298.db2.gz ODUKXAPQBYTRRZ-UHFFFAOYSA-N 0 3 312.345 1.575 20 5 DDBDHN C[N@H+](CC1CC1)C[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596146669 356791287 /nfs/dbraw/zinc/79/12/87/356791287.db2.gz GVQHFHOUTSFLNJ-GFCCVEGCSA-N 0 3 306.366 1.864 20 5 DDBDHN C[N@@H+](CC1CC1)C[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596146669 356791289 /nfs/dbraw/zinc/79/12/89/356791289.db2.gz GVQHFHOUTSFLNJ-GFCCVEGCSA-N 0 3 306.366 1.864 20 5 DDBDHN CC[C@@H]1CN(CC)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596257505 356835241 /nfs/dbraw/zinc/83/52/41/356835241.db2.gz PCUWOVRNECHJDS-LLVKDONJSA-N 0 3 306.366 1.614 20 5 DDBDHN C[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000598643497 357666317 /nfs/dbraw/zinc/66/63/17/357666317.db2.gz LMUYIPKAVOKOKM-IPYPFGDCSA-N 0 3 324.377 1.285 20 5 DDBDHN CCOC(=O)C[C@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000599412831 357925695 /nfs/dbraw/zinc/92/56/95/357925695.db2.gz OWWAEGBLIQTIMQ-ZDUSSCGKSA-N 0 3 310.350 1.383 20 5 DDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602492652 359013567 /nfs/dbraw/zinc/01/35/67/359013567.db2.gz WCNKQMROEGHOPW-STQMWFEESA-N 0 3 321.352 1.833 20 5 DDBDHN C[C@@H]1CC[C@@H](NCCc2ccc([N+](=O)[O-])cc2)CS1(=O)=O ZINC000602712509 359142323 /nfs/dbraw/zinc/14/23/23/359142323.db2.gz YWZKBMQYHYJFBD-DGCLKSJQSA-N 0 3 312.391 1.693 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CO)CN2CCCC2)c1 ZINC000603052623 359378407 /nfs/dbraw/zinc/37/84/07/359378407.db2.gz JXPAAPVHUXYCBF-GFCCVEGCSA-N 0 3 307.350 1.090 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCN(C)C1CC1 ZINC000186744402 200002089 /nfs/dbraw/zinc/00/20/89/200002089.db2.gz LDAJJRSCQMRKSL-UHFFFAOYSA-N 0 3 320.393 1.868 20 5 DDBDHN CC1(C)CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1CCO ZINC000618585345 363682527 /nfs/dbraw/zinc/68/25/27/363682527.db2.gz ADATTXVWKMAFJX-UHFFFAOYSA-N 0 3 319.365 1.364 20 5 DDBDHN CC[C@H](CN1CCCC1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000609851222 360356358 /nfs/dbraw/zinc/35/63/58/360356358.db2.gz WTPVTQKFJHQJJA-CYBMUJFWSA-N 0 3 321.377 1.964 20 5 DDBDHN Cc1nn(C[C@H](O)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000611508422 360741221 /nfs/dbraw/zinc/74/12/21/360741221.db2.gz FYQBMAJBLHZOSG-CQSZACIVSA-N 0 3 304.350 1.593 20 5 DDBDHN CN1CC=C(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271969863 209347683 /nfs/dbraw/zinc/34/76/83/209347683.db2.gz MPQDHBOOWYVKAN-UHFFFAOYSA-N 0 3 305.334 1.352 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](CCO)C1 ZINC000612070174 360909164 /nfs/dbraw/zinc/90/91/64/360909164.db2.gz DAYJUXDTKYMMGY-KGLIPLIRSA-N 0 3 324.377 1.429 20 5 DDBDHN COCC1(N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000612110819 360923077 /nfs/dbraw/zinc/92/30/77/360923077.db2.gz YIYXVOWGQGXLHK-GFCCVEGCSA-N 0 3 310.350 1.445 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN[C@@]2(CO)CCCc3ccccc32)n1 ZINC000281462965 216316547 /nfs/dbraw/zinc/31/65/47/216316547.db2.gz BBAINUSUXDMBJR-MRXNPFEDSA-N 0 3 316.361 1.605 20 5 DDBDHN CC[C@H]1CN(C)CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000619578383 364070503 /nfs/dbraw/zinc/07/05/03/364070503.db2.gz HAPQTGJOXYQHPT-ZDUSSCGKSA-N 0 3 320.393 1.949 20 5 DDBDHN Cc1ccccc1OC[C@H](O)CNCCn1cc([N+](=O)[O-])cn1 ZINC000566115192 304119954 /nfs/dbraw/zinc/11/99/54/304119954.db2.gz ONHXOAHZHTTZQQ-CQSZACIVSA-N 0 3 320.349 1.129 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCN(CCOC)C1 ZINC000264603652 204023097 /nfs/dbraw/zinc/02/30/97/204023097.db2.gz NZPABKNCSPSSHY-AWEZNQCLSA-N 0 3 323.393 1.804 20 5 DDBDHN CCN1CCCC[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000264683938 204077284 /nfs/dbraw/zinc/07/72/84/204077284.db2.gz LFYNKGWMZAZFTH-CQSZACIVSA-N 0 3 321.377 1.964 20 5 DDBDHN CCc1n[nH]c(C(=O)NCCN2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000264662031 204060587 /nfs/dbraw/zinc/06/05/87/204060587.db2.gz IUSDWRGZJSJFBV-SNVBAGLBSA-N 0 3 309.370 1.485 20 5 DDBDHN C[C@@H](N[C@@H](C)Cn1cccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000264887422 204241768 /nfs/dbraw/zinc/24/17/68/204241768.db2.gz SKAVQUWZVZPWHH-NWDGAFQWSA-N 0 3 317.349 1.797 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CCN(C2CC2)CC1 ZINC000043963247 183390509 /nfs/dbraw/zinc/39/05/09/183390509.db2.gz DXXMHBICOVDMNJ-UHFFFAOYSA-N 0 3 304.350 1.655 20 5 DDBDHN CC(C)[C@H](CCO)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000274061202 211318387 /nfs/dbraw/zinc/31/83/87/211318387.db2.gz QIYDQGMHJIIGJF-AWEZNQCLSA-N 0 3 309.366 1.554 20 5 DDBDHN CN1CCC(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000060855818 184156884 /nfs/dbraw/zinc/15/68/84/184156884.db2.gz XDNRTVYUOQFWGB-UHFFFAOYSA-N 0 3 308.294 1.327 20 5 DDBDHN Cc1n[nH]c(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000341074351 251366568 /nfs/dbraw/zinc/36/65/68/251366568.db2.gz WYCQAHFZVMYWTI-UWVGGRQHSA-N 0 3 309.370 1.619 20 5 DDBDHN Cc1nn(C)c(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000269104754 207243412 /nfs/dbraw/zinc/24/34/12/207243412.db2.gz BLXKJRCGHSHNLZ-RYUDHWBXSA-N 0 3 321.381 1.193 20 5 DDBDHN CN(C)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccs1 ZINC000158986604 197315945 /nfs/dbraw/zinc/31/59/45/197315945.db2.gz VOYFWODXDZUECJ-QMMMGPOBSA-N 0 3 309.351 1.412 20 5 DDBDHN COC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272947510 210333440 /nfs/dbraw/zinc/33/34/40/210333440.db2.gz PCTGBBPUVLVRKL-LBPRGKRZSA-N 0 3 310.350 1.445 20 5 DDBDHN CN(C(=O)C1CCN(C2CC2)CC1)c1ccc([N+](=O)[O-])nc1 ZINC000288756283 220394098 /nfs/dbraw/zinc/39/40/98/220394098.db2.gz IKNPKANNULUINS-UHFFFAOYSA-N 0 3 304.350 1.827 20 5 DDBDHN CO[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451539474 533415814 /nfs/dbraw/zinc/41/58/14/533415814.db2.gz FISFUGJRPFNBHY-DUVNUKRYSA-N 0 3 324.377 1.691 20 5 DDBDHN Cc1n[nH]c(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000299503934 533665974 /nfs/dbraw/zinc/66/59/74/533665974.db2.gz DPBYZWLSUSXWOT-JTQLQIEISA-N 0 3 323.397 1.867 20 5 DDBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCCN(CC2CCC2)CC1 ZINC000568487945 304295520 /nfs/dbraw/zinc/29/55/20/304295520.db2.gz VFTOYSYVWQQVKY-UHFFFAOYSA-N 0 3 306.366 1.871 20 5 DDBDHN CC[C@H](CO)NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353210562 285598479 /nfs/dbraw/zinc/59/84/79/285598479.db2.gz PVDZZPSVBXPPLM-LLVKDONJSA-N 0 3 312.322 1.007 20 5 DDBDHN COC(=O)COc1ccc(CN[C@@H]2CO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000569845073 304382303 /nfs/dbraw/zinc/38/23/03/304382303.db2.gz MTNKSPBELRJTSX-PWSUYJOCSA-N 0 3 324.333 1.414 20 5 DDBDHN Cc1c(C(=O)NC2CCN(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000054533924 407185717 /nfs/dbraw/zinc/18/57/17/407185717.db2.gz UZJJGCLMORFTIN-UHFFFAOYSA-N 0 3 322.321 1.635 20 5 DDBDHN COc1ccc(CNCC2(OC)CCOCC2)cc1[N+](=O)[O-] ZINC000123175121 407321687 /nfs/dbraw/zinc/32/16/87/407321687.db2.gz XIEQANKQOAZMDW-UHFFFAOYSA-N 0 3 310.350 1.889 20 5 DDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000123867565 407340900 /nfs/dbraw/zinc/34/09/00/407340900.db2.gz DABDPOJEZDMEFF-ZDUSSCGKSA-N 0 3 315.757 1.291 20 5 DDBDHN O=C1[C@@H](NCCn2cccn2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109133134 407395180 /nfs/dbraw/zinc/39/51/80/407395180.db2.gz VHYIJQGKKTVZDO-AWEZNQCLSA-N 0 3 315.333 1.186 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCNC[C@H]2c2cccc(F)c2)c1 ZINC000261826370 407630999 /nfs/dbraw/zinc/63/09/99/407630999.db2.gz SPNONFJXMRXDFH-HNNXBMFYSA-N 0 3 319.340 1.577 20 5 DDBDHN C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000272548228 407975150 /nfs/dbraw/zinc/97/51/50/407975150.db2.gz KLNPVQDSCIRHCM-NEPJUHHUSA-N 0 3 307.350 1.573 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268261568 407976499 /nfs/dbraw/zinc/97/64/99/407976499.db2.gz ZJLIJBMCKPXAKK-LDYMZIIASA-N 0 3 307.354 1.093 20 5 DDBDHN C[C@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)N(C)C ZINC000272561459 407986986 /nfs/dbraw/zinc/98/69/86/407986986.db2.gz PVQLYTGOTVGJHF-SSDOTTSWSA-N 0 3 309.351 1.279 20 5 DDBDHN CC[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000273121058 408064757 /nfs/dbraw/zinc/06/47/57/408064757.db2.gz HMMOILAFVIHNSM-BZPMIXESSA-N 0 3 310.350 1.037 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](CO)C1 ZINC000182171086 408086489 /nfs/dbraw/zinc/08/64/89/408086489.db2.gz TYTJKUCFSCMHCS-STQMWFEESA-N 0 3 310.350 1.039 20 5 DDBDHN CN1CCC(CC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000273262529 408130641 /nfs/dbraw/zinc/13/06/41/408130641.db2.gz YEGKQKXBIWCICI-UHFFFAOYSA-N 0 3 305.378 1.985 20 5 DDBDHN CN(C)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000137054313 408139443 /nfs/dbraw/zinc/13/94/43/408139443.db2.gz LZBOFVNJAVNIEN-NSHDSACASA-N 0 3 321.312 1.490 20 5 DDBDHN CC1CCC(N2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000176246726 408322928 /nfs/dbraw/zinc/32/29/28/408322928.db2.gz ALAMLKCVPPPOTH-UHFFFAOYSA-N 0 3 321.425 1.988 20 5 DDBDHN CC(C)[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000247237139 408436108 /nfs/dbraw/zinc/43/61/08/408436108.db2.gz DKFYHXZEQKVNIN-OLZOCXBDSA-N 0 3 314.411 1.226 20 5 DDBDHN CC(C)(C)C1=CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000270386475 408513288 /nfs/dbraw/zinc/51/32/88/408513288.db2.gz RJHLFQJIERXJRQ-AWEZNQCLSA-N 0 3 308.382 1.830 20 5 DDBDHN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCN1C[C@H](C)O ZINC000247438242 408469568 /nfs/dbraw/zinc/46/95/68/408469568.db2.gz ZLMUXWNHUOOKLZ-ZFWWWQNUSA-N 0 3 307.394 1.872 20 5 DDBDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000160382753 408475500 /nfs/dbraw/zinc/47/55/00/408475500.db2.gz RMXGBVGCPQYSHY-AWEZNQCLSA-N 0 3 307.350 1.171 20 5 DDBDHN Cc1ccnc(N(C)CCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000265272680 408598926 /nfs/dbraw/zinc/59/89/26/408598926.db2.gz UZRMVNOORUMMCF-UHFFFAOYSA-N 0 3 307.398 1.372 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000177154555 408537522 /nfs/dbraw/zinc/53/75/22/408537522.db2.gz XZBJJXOBUOCYFP-KOLCDFICSA-N 0 3 304.350 1.532 20 5 DDBDHN COc1cccc(C(=O)N2CCN3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000192532333 408605872 /nfs/dbraw/zinc/60/58/72/408605872.db2.gz QMHAKDDIBYTJLU-LLVKDONJSA-N 0 3 305.334 1.524 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)N2CCCNCC2)c1[N+](=O)[O-] ZINC000193232618 408705684 /nfs/dbraw/zinc/70/56/84/408705684.db2.gz LWYQBNBLVWLODS-UHFFFAOYSA-N 0 3 313.379 1.196 20 5 DDBDHN CC[C@H]1CCCCN1CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270859338 408712312 /nfs/dbraw/zinc/71/23/12/408712312.db2.gz ZOOOJOXTTRFXPD-NSHDSACASA-N 0 3 309.370 1.323 20 5 DDBDHN CC(C)(C)[C@@H](CO)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000193107771 408693612 /nfs/dbraw/zinc/69/36/12/408693612.db2.gz IFXLOIBAVSLQMA-CQSZACIVSA-N 0 3 321.377 1.481 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CCN(C)CC2)c1 ZINC000280878940 408851153 /nfs/dbraw/zinc/85/11/53/408851153.db2.gz CJCAOHPHCNDCJW-UHFFFAOYSA-N 0 3 321.377 1.883 20 5 DDBDHN O=[N+]([O-])c1cnc(NC[C@H]2CN3CCC[C@@H]3CO2)c(Cl)c1 ZINC000227650796 163339454 /nfs/dbraw/zinc/33/94/54/163339454.db2.gz JFLGLJUACKKVPX-KOLCDFICSA-N 0 3 312.757 1.918 20 5 DDBDHN CCC[C@@]1(CO)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000277755317 409005798 /nfs/dbraw/zinc/00/57/98/409005798.db2.gz LULBGMZOUHTLOJ-HNNXBMFYSA-N 0 3 309.366 1.384 20 5 DDBDHN C[C@H](N[C@H]1CCOC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000277900429 409031743 /nfs/dbraw/zinc/03/17/43/409031743.db2.gz OXZJRPDDRNPVKG-MJVIPROJSA-N 0 3 307.350 1.936 20 5 DDBDHN CN1CCN(CCNCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000282327488 409035196 /nfs/dbraw/zinc/03/51/96/409035196.db2.gz LIWAROWMNRRPFP-UHFFFAOYSA-N 0 3 306.410 1.710 20 5 DDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000288590578 409171123 /nfs/dbraw/zinc/17/11/23/409171123.db2.gz YBGGPJKZVBMZRW-NEPJUHHUSA-N 0 3 318.377 1.876 20 5 DDBDHN CN(C)CCn1nccc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000294148888 409248851 /nfs/dbraw/zinc/24/88/51/409248851.db2.gz RKGWGSUQECKANZ-UHFFFAOYSA-N 0 3 318.337 1.187 20 5 DDBDHN COCCOC[C@@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000295299179 409420258 /nfs/dbraw/zinc/42/02/58/409420258.db2.gz JXPQGKOYLOSRIS-HNNXBMFYSA-N 0 3 312.366 1.093 20 5 DDBDHN CNc1c(C(=O)NCCN2CCCCC2)cccc1[N+](=O)[O-] ZINC000316993349 164025509 /nfs/dbraw/zinc/02/55/09/164025509.db2.gz JTHCADPCSMOQHV-UHFFFAOYSA-N 0 3 306.366 1.852 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)CN(C)C)c1 ZINC000346132844 409810854 /nfs/dbraw/zinc/81/08/54/409810854.db2.gz IVRPQNBJNKVBCV-GFCCVEGCSA-N 0 3 309.366 1.738 20 5 DDBDHN Cc1c(NC(=O)[C@@H](C)N2CCCN(C)CC2)cccc1[N+](=O)[O-] ZINC000298087951 410109038 /nfs/dbraw/zinc/10/90/38/410109038.db2.gz PZWPFJRQRDEMLI-CYBMUJFWSA-N 0 3 320.393 1.868 20 5 DDBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCN(C)CC1 ZINC000298642896 410327160 /nfs/dbraw/zinc/32/71/60/410327160.db2.gz RVFUXRIOZCZBOE-LBPRGKRZSA-N 0 3 306.366 1.559 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343459817 410471410 /nfs/dbraw/zinc/47/14/10/410471410.db2.gz SHYHHJKYZNGYOU-FZMZJTMJSA-N 0 3 307.350 1.573 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@H]1N(C)C ZINC000330500929 410730813 /nfs/dbraw/zinc/73/08/13/410730813.db2.gz RWYCROKTSOGYGG-CHWSQXEVSA-N 0 3 324.406 1.416 20 5 DDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N1CCC(C)CC1 ZINC000330583219 410799046 /nfs/dbraw/zinc/79/90/46/410799046.db2.gz VDZDXTYUCMZNPN-GFCCVEGCSA-N 0 3 308.382 1.784 20 5 DDBDHN CC[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])N1CCCC1 ZINC000290593413 221769424 /nfs/dbraw/zinc/76/94/24/221769424.db2.gz XVCHCLVGBWBFHB-JTQLQIEISA-N 0 3 307.354 1.375 20 5 DDBDHN O=[N+]([O-])c1cnn([C@@H]2CCCN(CCCn3ccnc3)C2)c1 ZINC000373581163 418442273 /nfs/dbraw/zinc/44/22/73/418442273.db2.gz DLFGYDZYNYUHGP-CYBMUJFWSA-N 0 3 304.354 1.715 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)n1 ZINC000191678737 222107573 /nfs/dbraw/zinc/10/75/73/222107573.db2.gz WECAAVLCWGPBQZ-VXGBXAGGSA-N 0 3 321.381 1.368 20 5 DDBDHN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1[C@@H]1CCCO1 ZINC000367724745 418627622 /nfs/dbraw/zinc/62/76/22/418627622.db2.gz HFQBKASWMWDLAD-IHRRRGAJSA-N 0 3 324.381 1.042 20 5 DDBDHN CN(CCc1ccccc1[N+](=O)[O-])CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000375628048 418666133 /nfs/dbraw/zinc/66/61/33/418666133.db2.gz APAVTBIDDIQSDH-IYBDPMFKSA-N 0 3 319.405 1.932 20 5 DDBDHN C[C@H]1OCC[C@@H]1N(CCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000361588127 418687083 /nfs/dbraw/zinc/68/70/83/418687083.db2.gz XQZHCFNGGAAHAH-CJNGLKHVSA-N 0 3 324.377 1.835 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCO[C@H]2CCC[C@H]21 ZINC000372352674 418860061 /nfs/dbraw/zinc/86/00/61/418860061.db2.gz ZYEKAFWAMKQYQB-KGLIPLIRSA-N 0 3 307.350 1.400 20 5 DDBDHN COc1cc(CNCC2(N(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000418110669 419538523 /nfs/dbraw/zinc/53/85/23/419538523.db2.gz CHBHTTGBQLANQP-UHFFFAOYSA-N 0 3 309.366 1.796 20 5 DDBDHN C[C@@H]1C[C@H](O)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000412040780 419580901 /nfs/dbraw/zinc/58/09/01/419580901.db2.gz KOTBOXWRTBVDEL-KWCYVHTRSA-N 0 3 310.350 1.037 20 5 DDBDHN Cc1ccc(C)c(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000429299015 419998728 /nfs/dbraw/zinc/99/87/28/419998728.db2.gz FLPJYTHNUMXETE-INIZCTEOSA-N 0 3 318.377 1.901 20 5 DDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1)CNCC2 ZINC000429343088 420006370 /nfs/dbraw/zinc/00/63/70/420006370.db2.gz BIODENAYGXHLHS-UHFFFAOYSA-N 0 3 301.306 1.076 20 5 DDBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429770344 420046440 /nfs/dbraw/zinc/04/64/40/420046440.db2.gz FJKNWLRGAXBMCO-MNOVXSKESA-N 0 3 320.349 1.038 20 5 DDBDHN CCOc1ccc([C@H](C)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423550556 420079421 /nfs/dbraw/zinc/07/94/21/420079421.db2.gz FQCURCUGPJNMRL-AAEUAGOBSA-N 0 3 309.366 1.633 20 5 DDBDHN C[C@H]1CCN[C@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000423830166 420215534 /nfs/dbraw/zinc/21/55/34/420215534.db2.gz TWKWKVXVBANWRW-AAEUAGOBSA-N 0 3 321.381 1.343 20 5 DDBDHN O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@@H](c4nc[nH]n4)C3)nc2c1 ZINC000425555121 420417688 /nfs/dbraw/zinc/41/76/88/420417688.db2.gz XKISTDSHLXGQEI-SECBINFHSA-N 0 3 313.321 1.579 20 5 DDBDHN COc1cccc(CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000438786477 420465789 /nfs/dbraw/zinc/46/57/89/420465789.db2.gz YMHPKXXFIWLTHO-CQSZACIVSA-N 0 3 320.349 1.293 20 5 DDBDHN CC1CCN(CCNc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439099690 420479214 /nfs/dbraw/zinc/47/92/14/420479214.db2.gz OKBZHVPJPOQXLV-UHFFFAOYSA-N 0 3 306.366 1.838 20 5 DDBDHN CCN1CCN(CC(C)(C)Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000450921190 420561636 /nfs/dbraw/zinc/56/16/36/420561636.db2.gz FITABUYSZGRFSX-UHFFFAOYSA-N 0 3 307.398 1.818 20 5 DDBDHN CN(C)CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000442542485 420686106 /nfs/dbraw/zinc/68/61/06/420686106.db2.gz PNKWMCNNPJANRJ-UHFFFAOYSA-N 0 3 320.349 1.086 20 5 DDBDHN C[C@H](CN(C)CCn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000459803598 420878057 /nfs/dbraw/zinc/87/80/57/420878057.db2.gz JYQDBDVVDOSTBT-LLVKDONJSA-N 0 3 312.370 1.701 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1 ZINC000449430238 421011248 /nfs/dbraw/zinc/01/12/48/421011248.db2.gz BVOPQTGUJLKBIW-IMJJTQAJSA-N 0 3 306.362 1.957 20 5 DDBDHN C[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)N(C)C ZINC000455434910 421014153 /nfs/dbraw/zinc/01/41/53/421014153.db2.gz RQKABYYLKJPRMU-LBPRGKRZSA-N 0 3 308.382 1.729 20 5 DDBDHN CNc1nc(C(=O)N2CC[C@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000456071884 421096273 /nfs/dbraw/zinc/09/62/73/421096273.db2.gz TXGGSLWQMBYWCT-HNNXBMFYSA-N 0 3 319.365 1.199 20 5 DDBDHN CC(C)[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1C ZINC000488012768 421063249 /nfs/dbraw/zinc/06/32/49/421063249.db2.gz UYKPOJNDOMZEAV-HNNXBMFYSA-N 0 3 320.393 1.466 20 5 DDBDHN CN(C)CCO[C@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000450392271 421191947 /nfs/dbraw/zinc/19/19/47/421191947.db2.gz SKZZLVKLJBQKFJ-LBPRGKRZSA-N 0 3 319.365 1.628 20 5 DDBDHN C[C@H]1CN(C2CCOCC2)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000450483682 421202506 /nfs/dbraw/zinc/20/25/06/421202506.db2.gz JWZOTTMKVKLWLF-LBPRGKRZSA-N 0 3 306.366 1.679 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCN(C3CC3)C2)n1 ZINC000561143776 421308050 /nfs/dbraw/zinc/30/80/50/421308050.db2.gz HVASKMYVXCWKIE-JTQLQIEISA-N 0 3 320.349 1.673 20 5 DDBDHN C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000548058509 421394549 /nfs/dbraw/zinc/39/45/49/421394549.db2.gz RIADYHQBPWQEQU-WDEREUQCSA-N 0 3 321.381 1.422 20 5 DDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)N1CCC[C@H](C)C1 ZINC000518772204 421667326 /nfs/dbraw/zinc/66/73/26/421667326.db2.gz ZYNLXLMVKZXSSG-NWDGAFQWSA-N 0 3 308.382 1.784 20 5 DDBDHN CN(C)Cc1ccccc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000556811396 421740999 /nfs/dbraw/zinc/74/09/99/421740999.db2.gz QSKCMAIOCYOJPT-UHFFFAOYSA-N 0 3 317.349 1.882 20 5 DDBDHN O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCCN4CCCC[C@H]34)nn21 ZINC000594602483 422352650 /nfs/dbraw/zinc/35/26/50/422352650.db2.gz QSPYHSOGWXNCFB-VXGBXAGGSA-N 0 3 316.365 2.066 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@]2(CCCOC2)C1 ZINC000341577007 271126033 /nfs/dbraw/zinc/12/60/33/271126033.db2.gz MGTIZMYRDGTDPE-MRXNPFEDSA-N 0 3 321.377 1.649 20 5 DDBDHN CCCN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000342270711 271362184 /nfs/dbraw/zinc/36/21/84/271362184.db2.gz WATFJOTWQRWERB-UHFFFAOYSA-N 0 3 321.381 1.520 20 5 DDBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)CN1C1CC1 ZINC000133535796 274395085 /nfs/dbraw/zinc/39/50/85/274395085.db2.gz DVHHENDGNCALHP-RKDXNWHRSA-N 0 3 305.338 1.126 20 5 DDBDHN CN1CC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000264724731 277134596 /nfs/dbraw/zinc/13/45/96/277134596.db2.gz YIZGJJHDQTZMRV-JTQLQIEISA-N 0 3 321.333 1.048 20 5 DDBDHN CN1CC[C@@]2(CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292307932 277159502 /nfs/dbraw/zinc/15/95/02/277159502.db2.gz NDSGJJRGPBQLAQ-MRXNPFEDSA-N 0 3 319.361 1.528 20 5 DDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000364452438 300398887 /nfs/dbraw/zinc/39/88/87/300398887.db2.gz FFKIFNHVHFXAQD-LLVKDONJSA-N 0 3 318.377 1.924 20 5 DDBDHN O=[N+]([O-])c1cccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000369234877 301148034 /nfs/dbraw/zinc/14/80/34/301148034.db2.gz GCSQBHFHGIFESZ-CVEARBPZSA-N 0 3 305.378 1.626 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1C(=N)NO ZINC000374176489 301774201 /nfs/dbraw/zinc/77/42/01/301774201.db2.gz RBKRJRLRIWAJBG-LBPRGKRZSA-N 0 3 308.338 1.914 20 5 DDBDHN CC(C)[C@]1(CO)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000377651845 302203896 /nfs/dbraw/zinc/20/38/96/302203896.db2.gz KGAWZKZZVPQTKD-JKSUJKDBSA-N 0 3 308.378 1.969 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CN(C)CCN1C ZINC000531970539 303268198 /nfs/dbraw/zinc/26/81/98/303268198.db2.gz CRTUHCUNKJGXHM-DZGCQCFKSA-N 0 3 306.410 1.800 20 5 DDBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000558732703 303781722 /nfs/dbraw/zinc/78/17/22/303781722.db2.gz SAWVJSBYYXJRRP-GFCCVEGCSA-N 0 3 317.349 1.221 20 5 DDBDHN Cc1cc([C@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)n[nH]1 ZINC000363366753 307026663 /nfs/dbraw/zinc/02/66/63/307026663.db2.gz JRRSYQMPHPLBTH-LBPRGKRZSA-N 0 3 304.354 1.702 20 5 DDBDHN Cc1cc([C@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)[nH]n1 ZINC000363366753 307026664 /nfs/dbraw/zinc/02/66/64/307026664.db2.gz JRRSYQMPHPLBTH-LBPRGKRZSA-N 0 3 304.354 1.702 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)cc1F ZINC000367275839 307091240 /nfs/dbraw/zinc/09/12/40/307091240.db2.gz YSPQGEICEFKHTD-HZPDHXFCSA-N 0 3 323.368 1.765 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@](O)(C3CC3)C2)c1 ZINC000373907805 307198047 /nfs/dbraw/zinc/19/80/47/307198047.db2.gz GQMQEIDHNYGMMN-ZBFHGGJFSA-N 0 3 322.361 1.181 20 5 DDBDHN C[C@H]1CCN(CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000565959803 308039443 /nfs/dbraw/zinc/03/94/43/308039443.db2.gz TUVSDFDDUUNSQC-NSHDSACASA-N 0 3 304.350 1.216 20 5 DDBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000576610776 308327316 /nfs/dbraw/zinc/32/73/16/308327316.db2.gz PPCGYPSVCCBADJ-NSHDSACASA-N 0 3 309.370 1.275 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](N3CCCC3)C2)n1 ZINC000391412678 336957758 /nfs/dbraw/zinc/95/77/58/336957758.db2.gz WBCIKZFXCPQLCN-NSHDSACASA-N 0 3 320.349 1.451 20 5 DDBDHN C[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000305762765 534031625 /nfs/dbraw/zinc/03/16/25/534031625.db2.gz NDMHONBHJREZFC-BXUZGUMPSA-N 0 3 307.350 1.626 20 5 DDBDHN CCN1C[C@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000330825865 527969489 /nfs/dbraw/zinc/96/94/89/527969489.db2.gz IITFEEWEBYUZRJ-STQMWFEESA-N 0 3 320.393 1.948 20 5 DDBDHN CCOC(=O)[C@H]1NCC[C@@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000422795718 528089228 /nfs/dbraw/zinc/08/92/28/528089228.db2.gz WJFMQIBSNFUSBB-JSGCOSHPSA-N 0 3 307.350 1.021 20 5 DDBDHN CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736569966 598628120 /nfs/dbraw/zinc/62/81/20/598628120.db2.gz LTRSPIFMSNMUKB-UHFFFAOYSA-N 0 3 317.353 1.307 20 5 DDBDHN CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736569966 598628122 /nfs/dbraw/zinc/62/81/22/598628122.db2.gz LTRSPIFMSNMUKB-UHFFFAOYSA-N 0 3 317.353 1.307 20 5 DDBDHN CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736569966 598628124 /nfs/dbraw/zinc/62/81/24/598628124.db2.gz LTRSPIFMSNMUKB-UHFFFAOYSA-N 0 3 317.353 1.307 20 5 DDBDHN CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736569966 598628125 /nfs/dbraw/zinc/62/81/25/598628125.db2.gz LTRSPIFMSNMUKB-UHFFFAOYSA-N 0 3 317.353 1.307 20 5 DDBDHN CN(C[C@@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736846696 598797534 /nfs/dbraw/zinc/79/75/34/598797534.db2.gz ALQRNZIWPALNDW-SNVBAGLBSA-N 0 3 317.353 1.163 20 5 DDBDHN CN(C[C@@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736846696 598797535 /nfs/dbraw/zinc/79/75/35/598797535.db2.gz ALQRNZIWPALNDW-SNVBAGLBSA-N 0 3 317.353 1.163 20 5 DDBDHN CN(C[C@@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736846696 598797536 /nfs/dbraw/zinc/79/75/36/598797536.db2.gz ALQRNZIWPALNDW-SNVBAGLBSA-N 0 3 317.353 1.163 20 5 DDBDHN CN(C[C@@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736846696 598797537 /nfs/dbraw/zinc/79/75/37/598797537.db2.gz ALQRNZIWPALNDW-SNVBAGLBSA-N 0 3 317.353 1.163 20 5 DDBDHN CC(COC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000797279327 700002754 /nfs/dbraw/zinc/00/27/54/700002754.db2.gz KKMOBYFQUJZOEE-ZDCRXTMVSA-N 0 3 314.338 1.593 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](c2ccccn2)C1 ZINC000799197736 700127946 /nfs/dbraw/zinc/12/79/46/700127946.db2.gz HWWXMFINDHZMAN-CYBMUJFWSA-N 0 3 314.345 1.641 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCN(CC3CC3)CC2)cc1 ZINC000776277381 698091055 /nfs/dbraw/zinc/09/10/55/698091055.db2.gz NUVQVLUCSWBIET-INIZCTEOSA-N 0 3 305.378 1.656 20 5 DDBDHN CN1CCN(CCCNc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000743287584 699905768 /nfs/dbraw/zinc/90/57/68/699905768.db2.gz HLAFGWIFSXXPBN-UHFFFAOYSA-N 0 3 318.381 1.292 20 5 DDBDHN CC(COC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1)[N+](=O)[O-] ZINC000813105962 702293108 /nfs/dbraw/zinc/29/31/08/702293108.db2.gz WNBBMVREASLXOK-QWRGUYRKSA-N 0 3 300.355 1.480 20 5 DDBDHN COc1ccc(C2(C(=O)OCC(C)[N+](=O)[O-])CCOCC2)cc1 ZINC000813105777 702293349 /nfs/dbraw/zinc/29/33/49/702293349.db2.gz ULDPIIAFSLDAAQ-GFCCVEGCSA-N 0 3 323.345 1.952 20 5 DDBDHN CC(COC(=O)c1cnnn1-c1ccccc1Cl)[N+](=O)[O-] ZINC000813108319 702295557 /nfs/dbraw/zinc/29/55/57/702295557.db2.gz XLWRAMGIOMFRSP-MRVPVSSYSA-N 0 3 310.697 1.743 20 5 DDBDHN CC(COC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000813115617 702300019 /nfs/dbraw/zinc/30/00/19/702300019.db2.gz WKAOECHMWHOBSH-WDEREUQCSA-N 0 3 316.354 1.842 20 5 DDBDHN O=C(NC[C@@H]1CNCCO1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233402 702396930 /nfs/dbraw/zinc/39/69/30/702396930.db2.gz SPYNZVVNGBTTPR-QMMMGPOBSA-N 0 3 314.729 1.358 20 5 DDBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1Cc1ccccc1 ZINC000817740119 702466630 /nfs/dbraw/zinc/46/66/30/702466630.db2.gz VSSDXMYYIRULGE-LLVKDONJSA-N 0 3 318.333 1.711 20 5 DDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC(=O)N(C)C1 ZINC000846920834 703351935 /nfs/dbraw/zinc/35/19/35/703351935.db2.gz OHDNONXBUJAWFG-KGLIPLIRSA-N 0 3 307.350 1.181 20 5 DDBDHN CC(C)(O)C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000879627505 706743470 /nfs/dbraw/zinc/74/34/70/706743470.db2.gz IENQEUKIJOMURP-UHFFFAOYSA-N 0 3 309.366 1.239 20 5 DDBDHN COC(=O)[C@H]1C[C@@H](N(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852695531 704101638 /nfs/dbraw/zinc/10/16/38/704101638.db2.gz AKLUASHTLRPSKU-YUTCNCBUSA-N 0 3 308.334 1.512 20 5 DDBDHN Cc1cc(Cl)c(C(=O)N[C@H](CO)CN(C)C)cc1[N+](=O)[O-] ZINC000854463215 704401374 /nfs/dbraw/zinc/40/13/74/704401374.db2.gz ANVBNBPUEPFVFV-VIFPVBQESA-N 0 3 315.757 1.209 20 5 DDBDHN C[C@@H](CN1CCCCC1)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824969646 705569375 /nfs/dbraw/zinc/56/93/75/705569375.db2.gz HQAMCANBYBNADM-SWLSCSKDSA-N 0 3 321.377 1.619 20 5 DDBDHN Cc1nccnc1[C@H](C)NC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877828605 706225940 /nfs/dbraw/zinc/22/59/40/706225940.db2.gz MRSRCFCXTZBYCF-UNXYVOJBSA-N 0 3 302.338 1.944 20 5 DDBDHN Cn1cc(CN[C@@H]2CCc3ccccc3OC2)c([N+](=O)[O-])n1 ZINC000878563659 706428832 /nfs/dbraw/zinc/42/88/32/706428832.db2.gz XUWVVIRUDZTNFG-CYBMUJFWSA-N 0 3 302.334 1.812 20 5 DDBDHN CC1(C)CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2COC[C@@H]21 ZINC000832779266 706981881 /nfs/dbraw/zinc/98/18/81/706981881.db2.gz XRTXKDJKJWBEET-ZNMIVQPWSA-N 0 3 306.362 1.985 20 5 DDBDHN CC1(C)[C@H]2[C@H](CCCN2CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1O ZINC000872259607 707352623 /nfs/dbraw/zinc/35/26/23/707352623.db2.gz YMOHCHLOSOFCAR-CFVMTHIKSA-N 0 3 321.377 1.238 20 5 DDBDHN Nc1ccc(N2CC[C@H]3[C@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC000897219936 708258034 /nfs/dbraw/zinc/25/80/34/708258034.db2.gz QIXSAFORLSYVGA-QWHCGFSZSA-N 0 3 306.366 1.212 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000897221369 708259317 /nfs/dbraw/zinc/25/93/17/708259317.db2.gz MBDSGDKSQTZXHM-CHWSQXEVSA-N 0 3 323.397 1.155 20 5 DDBDHN CC(COC(=O)c1c(C(F)F)nc2cnccn21)[N+](=O)[O-] ZINC000893047786 710546855 /nfs/dbraw/zinc/54/68/55/710546855.db2.gz ONFIYLYMAVCVCB-ZCFIWIBFSA-N 0 3 300.221 1.489 20 5 DDBDHN C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CCN1C ZINC000928438601 713195911 /nfs/dbraw/zinc/19/59/11/713195911.db2.gz GIDSEGYKKFEHRN-JOYOIKCWSA-N 0 3 324.356 1.622 20 5 DDBDHN COc1cc([C@H](C)N[C@@H](C)Cn2cncn2)cc([N+](=O)[O-])c1 ZINC000903083154 711026807 /nfs/dbraw/zinc/02/68/07/711026807.db2.gz AEVWOLKCTHSYRO-QWRGUYRKSA-N 0 3 305.338 1.934 20 5 DDBDHN C[C@]1(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CN2CCC1CC2 ZINC000912373398 711297465 /nfs/dbraw/zinc/29/74/65/711297465.db2.gz CIWOTYQFCMQDIO-INIZCTEOSA-N 0 3 321.352 1.877 20 5 DDBDHN C[C@@H]1COC[C@@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000905868332 712170482 /nfs/dbraw/zinc/17/04/82/712170482.db2.gz RPATVSWMOZZJEW-HONMWMINSA-N 0 3 305.334 1.325 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000914325478 713378844 /nfs/dbraw/zinc/37/88/44/713378844.db2.gz LECWURGBXPVETF-RISCZKNCSA-N 0 3 306.366 1.529 20 5 DDBDHN COC(=O)COc1ccc(CN[C@@H]2COC[C@H]2C)cc1[N+](=O)[O-] ZINC000922641358 714108913 /nfs/dbraw/zinc/10/89/13/714108913.db2.gz GZJLPMVRJXEWND-ZYHUDNBSSA-N 0 3 324.333 1.271 20 5 DDBDHN COc1cc(C(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)ccc1[N+](=O)[O-] ZINC000923294844 714300496 /nfs/dbraw/zinc/30/04/96/714300496.db2.gz OUCRWJOKNJXYRL-OLZOCXBDSA-N 0 3 319.361 1.912 20 5 DDBDHN O=C1NC[C@H](O)CC12CCN(Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000932840224 714423961 /nfs/dbraw/zinc/42/39/61/714423961.db2.gz WIAKXVIOJIMOTP-CQSZACIVSA-N 0 3 319.361 1.058 20 5 DDBDHN Cc1[nH]nc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1C ZINC001125039508 748808196 /nfs/dbraw/zinc/80/81/96/748808196.db2.gz JGEKYZXRVPAATP-UHFFFAOYSA-N 0 3 317.349 1.454 20 5 DDBDHN O=C(c1ccco1)N1CCCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169037072 762192573 /nfs/dbraw/zinc/19/25/73/762192573.db2.gz IOZMOAPQUFWNIL-KBPBESRZSA-N 0 3 321.377 1.873 20 5 DDBDHN O=[N+]([O-])c1ccnc(-c2nc(-c3ccc4c(n3)CCNC4)no2)c1 ZINC001212580658 761829642 /nfs/dbraw/zinc/82/96/42/761829642.db2.gz UGGIUCMODXOCNL-UHFFFAOYSA-N 0 3 324.300 1.748 20 5 DDBDHN C[C@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@@H]1CNCCO1 ZINC001170565667 768164712 /nfs/dbraw/zinc/16/47/12/768164712.db2.gz WBEBBEDUXKQDTG-HZMBPMFUSA-N 0 3 302.334 1.932 20 5 DDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](O)[C@](C)(CO)C1 ZINC001173222731 777055763 /nfs/dbraw/zinc/05/57/63/777055763.db2.gz UZRGCJRGYOHNDL-KCXAZCMYSA-N 0 3 308.378 1.591 20 5 DDBDHN CN(C)Cc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c(F)c1 ZINC001299306203 849319704 /nfs/dbraw/zinc/31/97/04/849319704.db2.gz JABOYNYYQKDIGU-UHFFFAOYSA-N 0 3 307.285 1.771 20 5 DDBDHN Cc1ncc([N+](=O)[O-])c(N2CCNC[C@@H]2c2cccs2)n1 ZINC001156098434 862718556 /nfs/dbraw/zinc/71/85/56/862718556.db2.gz PTANBJPOHQSWRU-SNVBAGLBSA-N 0 3 305.363 1.906 20 5 DDBDHN NCc1nn(-c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])c2ccccc12 ZINC001156855417 863398571 /nfs/dbraw/zinc/39/85/71/863398571.db2.gz ILKHKLROXWRNQB-UHFFFAOYSA-N 0 3 319.708 1.679 20 5 DDBDHN Cc1nc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)co1 ZINC001157018357 863520675 /nfs/dbraw/zinc/52/06/75/863520675.db2.gz NTSMROOTVXOXNX-UHFFFAOYSA-N 0 3 324.362 1.862 20 5 DDBDHN COC(=O)c1ccnc(N2C[C@H]3CCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157265913 863694800 /nfs/dbraw/zinc/69/48/00/863694800.db2.gz LIBVLZJHMNBHNH-ZYHUDNBSSA-N 0 3 320.349 1.307 20 5 DDBDHN Cc1cc(Cl)c([N+](=O)[O-])c(N[C@H](C)[C@@H]2CNCCO2)n1 ZINC001159496601 865347960 /nfs/dbraw/zinc/34/79/60/865347960.db2.gz KMARNQSBCSORJP-SCZZXKLOSA-N 0 3 300.746 1.740 20 5 DDBDHN Cc1nc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)sc1C ZINC001323438136 866610876 /nfs/dbraw/zinc/61/08/76/866610876.db2.gz VPGRYFRCDJQWMP-GHMZBOCLSA-N 0 3 324.406 1.164 20 5 DDBDHN COc1cc(NCCCN2CCN(C)CC2)cc([N+](=O)[O-])c1C ZINC001161708574 866920987 /nfs/dbraw/zinc/92/09/87/866920987.db2.gz NSQIYSPFZGARHB-UHFFFAOYSA-N 0 3 322.409 1.961 20 5 DDBDHN O=[N+]([O-])c1c(F)cccc1N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001335116698 868075440 /nfs/dbraw/zinc/07/54/40/868075440.db2.gz JMWMXWUYEKKRKK-STQMWFEESA-N 0 3 309.341 1.769 20 5 DDBDHN COC(=O)Cc1ccc(N[C@H]2CN3CCC2CC3)cc1[N+](=O)[O-] ZINC001163394546 868414082 /nfs/dbraw/zinc/41/40/82/868414082.db2.gz HGLWWGIMOVFPKN-AWEZNQCLSA-N 0 3 319.361 1.816 20 5 DDBDHN CC(C)(C(=O)N[C@@H]1COC2(CNC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001340617452 871237790 /nfs/dbraw/zinc/23/77/90/871237790.db2.gz XQAAHNSCXNVKOW-LBPRGKRZSA-N 0 3 319.361 1.120 20 5 DDBDHN COc1c([O-])ccc(C[NH2+][C@H](C)Cc2cnn(C)c2)c1[N+](=O)[O-] ZINC001308769027 871528548 /nfs/dbraw/zinc/52/85/48/871528548.db2.gz WHBRKKUVNQFQDT-SNVBAGLBSA-N 0 3 320.349 1.763 20 5 DDBDHN CCC(C)(C)N1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC1 ZINC001341358498 871618986 /nfs/dbraw/zinc/61/89/86/871618986.db2.gz GVMRWMHKKFXSOL-NSHDSACASA-N 0 3 310.402 1.463 20 5 DDBDHN CN(C)CCONC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001351000914 876007434 /nfs/dbraw/zinc/00/74/34/876007434.db2.gz BPQPSASJKSODKD-UHFFFAOYSA-N 0 3 321.255 1.837 20 5 DDBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1[n-]c(=S)nc2ccccc21 ZINC001228764969 883658066 /nfs/dbraw/zinc/65/80/66/883658066.db2.gz KEGFLVNEAFXFOT-SNVBAGLBSA-O 0 3 322.410 1.281 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H](F)[C@@H](N)C2)c1F ZINC001246523990 892676008 /nfs/dbraw/zinc/67/60/08/892676008.db2.gz CVYZHGGKYKCIFA-GDPRMGEGSA-N 0 3 315.320 1.655 20 5 DDBDHN CNC(=O)CN(C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254474970 896457115 /nfs/dbraw/zinc/45/71/15/896457115.db2.gz WZECBCMCCKZCBZ-UHFFFAOYSA-N 0 3 306.366 1.241 20 5 DDBDHN COC(=O)[C@H]1[C@@H]2CN([C@@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC001254558374 896501250 /nfs/dbraw/zinc/50/12/50/896501250.db2.gz FUOYAEFTABCYJB-MUYACECFSA-N 0 3 304.346 1.877 20 5 DDBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NOCCN(C)C ZINC001261740425 899746172 /nfs/dbraw/zinc/74/61/72/899746172.db2.gz AYOPZLWVOKRLNK-UHFFFAOYSA-N 0 3 313.379 1.930 20 5 DDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC(=O)N(C)C1 ZINC000358083233 299070773 /nfs/dbraw/zinc/07/07/73/299070773.db2.gz KFWPYUCGLUJDII-PWSUYJOCSA-N 0 3 320.349 1.132 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CO)C(C)(C)C ZINC000278578156 214250405 /nfs/dbraw/zinc/25/04/05/214250405.db2.gz CMCBAHPUPMMTNI-ZDUSSCGKSA-N 0 3 309.366 1.838 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000614934636 362084968 /nfs/dbraw/zinc/08/49/68/362084968.db2.gz AVLKBCQZAONQOU-SNVBAGLBSA-N 0 3 308.338 1.819 20 5 DDBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(O)c1 ZINC000181580263 199322073 /nfs/dbraw/zinc/32/20/73/199322073.db2.gz BIXWRIRFRARFLP-YGRLFVJLSA-N 0 3 306.322 1.209 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])[C@H]2C1 ZINC000272768230 210172790 /nfs/dbraw/zinc/17/27/90/210172790.db2.gz WYWNPNRHLXLBQG-MFKMUULPSA-N 0 3 305.338 1.548 20 5 DDBDHN CN(C)CCc1ccccc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286743406 219141985 /nfs/dbraw/zinc/14/19/85/219141985.db2.gz JEDYFUFQAJFJEG-UHFFFAOYSA-N 0 3 303.322 1.674 20 5 DDBDHN CCn1ccc(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000616786190 362818880 /nfs/dbraw/zinc/81/88/80/362818880.db2.gz NXBYJUKGJFPNBT-AWEZNQCLSA-N 0 3 307.354 1.106 20 5 DDBDHN CCOC(=O)CC[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000564860008 304020699 /nfs/dbraw/zinc/02/06/99/304020699.db2.gz LQBXZTWZFNPFOV-SMDDNHRTSA-N 0 3 310.350 1.950 20 5 DDBDHN CCN1CCC(N(C(=O)Cn2ccc([N+](=O)[O-])n2)C2CC2)CC1 ZINC000057372286 352812621 /nfs/dbraw/zinc/81/26/21/352812621.db2.gz QHEQYLXSTVMMGT-UHFFFAOYSA-N 0 3 321.381 1.267 20 5 DDBDHN C[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000063732920 352922221 /nfs/dbraw/zinc/92/22/21/352922221.db2.gz HHELKOIJJFHDNZ-GFCCVEGCSA-N 0 3 307.350 1.574 20 5 DDBDHN CN(CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000066053538 352976235 /nfs/dbraw/zinc/97/62/35/352976235.db2.gz VGZAYJPVIQYCMZ-UHFFFAOYSA-N 0 3 316.361 1.760 20 5 DDBDHN C[C@H]1[C@H](C)N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000331908271 234263051 /nfs/dbraw/zinc/26/30/51/234263051.db2.gz ALQZSRQGYVHPQL-UWVGGRQHSA-N 0 3 317.349 1.636 20 5 DDBDHN CC(=O)NC[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000067412506 353047520 /nfs/dbraw/zinc/04/75/20/353047520.db2.gz SANZDKMMPVOXTM-CQSZACIVSA-N 0 3 321.377 1.822 20 5 DDBDHN COCCCN(C)CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000174186076 198302801 /nfs/dbraw/zinc/30/28/01/198302801.db2.gz TYGHSUTZQLRCKA-UHFFFAOYSA-N 0 3 324.381 1.993 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](C(F)(F)F)C2)c1 ZINC000174657025 198366739 /nfs/dbraw/zinc/36/67/39/198366739.db2.gz AQCXSAHEEAAVIC-GXSJLCMTSA-N 0 3 322.287 1.427 20 5 DDBDHN CN(C)[C@H]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000080491744 353611752 /nfs/dbraw/zinc/61/17/52/353611752.db2.gz HCANTSOJBTXLMY-AWEZNQCLSA-N 0 3 320.393 1.873 20 5 DDBDHN COC(=O)C[C@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090524758 353795102 /nfs/dbraw/zinc/79/51/02/353795102.db2.gz CNGDYGUXHPAYFH-GFCCVEGCSA-N 0 3 323.349 1.174 20 5 DDBDHN C[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000093333664 353895784 /nfs/dbraw/zinc/89/57/84/353895784.db2.gz NDMHONBHJREZFC-FZMZJTMJSA-N 0 3 307.350 1.626 20 5 DDBDHN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCN(CC2CC2)C1 ZINC000108307524 353950007 /nfs/dbraw/zinc/95/00/07/353950007.db2.gz FXEWKQXZKNJNNV-ZDUSSCGKSA-N 0 3 318.377 1.607 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CCCCC3)C2)n1 ZINC000332183399 234613804 /nfs/dbraw/zinc/61/38/04/234613804.db2.gz VZENQYBWDKPBHP-LBPRGKRZSA-N 0 3 321.381 1.512 20 5 DDBDHN O=C(Cc1ccccc1[N+](=O)[O-])N1CCCN(C2CC2)CC1 ZINC000149240344 354172132 /nfs/dbraw/zinc/17/21/32/354172132.db2.gz FMRJKIIQLVIOCC-UHFFFAOYSA-N 0 3 303.362 1.834 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CNCC2 ZINC000316371388 354502355 /nfs/dbraw/zinc/50/23/55/354502355.db2.gz VGHDIYVSDATMKY-UHFFFAOYSA-N 0 3 300.318 1.831 20 5 DDBDHN CCOc1cc(N2CCO[C@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000585783574 354842184 /nfs/dbraw/zinc/84/21/84/354842184.db2.gz BDAHJNKVCRXLMR-CABCVRRESA-N 0 3 321.377 1.903 20 5 DDBDHN CN1CCC[C@@H](N2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)C1 ZINC000587979574 354888975 /nfs/dbraw/zinc/88/89/75/354888975.db2.gz LTMAFOJHUCCGMG-CYBMUJFWSA-N 0 3 322.384 1.950 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000589941442 355033806 /nfs/dbraw/zinc/03/38/06/355033806.db2.gz INYUWYGNPWEOTJ-TVQRCGJNSA-N 0 3 308.313 1.902 20 5 DDBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000590589571 355122115 /nfs/dbraw/zinc/12/21/15/355122115.db2.gz PFNTTWIFGWSBMV-GXFFZTMASA-N 0 3 313.379 1.308 20 5 DDBDHN CNc1ccc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590441579 355095579 /nfs/dbraw/zinc/09/55/79/355095579.db2.gz DAKPKNWYHNDAFA-FZMZJTMJSA-N 0 3 304.350 1.413 20 5 DDBDHN [NH3+][C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000592382120 355571117 /nfs/dbraw/zinc/57/11/17/355571117.db2.gz KBKPLPSWMWGZDE-KNVOCYPGSA-N 0 3 305.743 1.016 20 5 DDBDHN CCCN(C(=O)c1n[nH]c(CC)c1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000592830452 355706010 /nfs/dbraw/zinc/70/60/10/355706010.db2.gz FEGSWKWHMNSGHK-SNVBAGLBSA-N 0 3 309.370 1.437 20 5 DDBDHN COc1ccc(CN[C@H]2CCc3c(nnn3C)C2)cc1[N+](=O)[O-] ZINC000594515256 356241640 /nfs/dbraw/zinc/24/16/40/356241640.db2.gz LXQWYTYPVOPIDH-NSHDSACASA-N 0 3 317.349 1.379 20 5 DDBDHN Cc1cc(C)cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000594716746 356294464 /nfs/dbraw/zinc/29/44/64/356294464.db2.gz VEEPBMGMXILNGO-HNNXBMFYSA-N 0 3 304.350 1.559 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1([NH3+])CCCC1 ZINC000595119828 356386040 /nfs/dbraw/zinc/38/60/40/356386040.db2.gz IYOLZKNWXGIYKN-UHFFFAOYSA-N 0 3 313.379 1.453 20 5 DDBDHN CS[C@H]1CN(Cc2onc(C)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000595403928 356480389 /nfs/dbraw/zinc/48/03/89/356480389.db2.gz NHAPSZBTMISFLL-KOLCDFICSA-N 0 3 300.384 1.369 20 5 DDBDHN C[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1CCO ZINC000595695903 356611908 /nfs/dbraw/zinc/61/19/08/356611908.db2.gz JBFUFRFUZJUKGA-BXUZGUMPSA-N 0 3 321.377 1.677 20 5 DDBDHN O=C1CC[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000595744231 356632499 /nfs/dbraw/zinc/63/24/99/356632499.db2.gz UUBOYUKBTWJOIP-DOMZBBRYSA-N 0 3 319.361 1.574 20 5 DDBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@H]3CNCCO3)CC2)cc1 ZINC000595886666 356692006 /nfs/dbraw/zinc/69/20/06/356692006.db2.gz XXCBFFJEUDUMQH-MRXNPFEDSA-N 0 3 321.377 1.426 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@]2(C)CC[NH2+]C2)c1[N+](=O)[O-] ZINC000596052217 356753922 /nfs/dbraw/zinc/75/39/22/356753922.db2.gz UVCIMWDUPCNRBY-ZDUSSCGKSA-N 0 3 313.379 1.242 20 5 DDBDHN CN1CCN(CCCNc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596063113 356758056 /nfs/dbraw/zinc/75/80/56/356758056.db2.gz SEXXPNVIZGEKPG-UHFFFAOYSA-N 0 3 313.789 1.115 20 5 DDBDHN CC[NH+](CC)CCO[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596153352 356793402 /nfs/dbraw/zinc/79/34/02/356793402.db2.gz ULPSNRIERMYEIY-GFCCVEGCSA-N 0 3 324.381 1.633 20 5 DDBDHN CN(Cc1ccccc1)C1CN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596231172 356825423 /nfs/dbraw/zinc/82/54/23/356825423.db2.gz GVEOVAVXAURPEH-UHFFFAOYSA-N 0 3 313.361 1.893 20 5 DDBDHN C[C@@H](NCc1nc(C[NH3+])cc(=O)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000596653917 356943371 /nfs/dbraw/zinc/94/33/71/356943371.db2.gz MIRMZTGNCPDWAN-SECBINFHSA-N 0 3 303.322 1.400 20 5 DDBDHN CCCN1CC[C@H](Nc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000596517346 356903152 /nfs/dbraw/zinc/90/31/52/356903152.db2.gz NQNOLCCVRDPQSX-NSHDSACASA-N 0 3 308.338 1.673 20 5 DDBDHN COC(=O)c1ccc(CNCCn2cc([N+](=O)[O-])cn2)cc1F ZINC000597063101 357051897 /nfs/dbraw/zinc/05/18/97/357051897.db2.gz NLWHIKOVVPMKEL-UHFFFAOYSA-N 0 3 322.296 1.507 20 5 DDBDHN CCC(CC)(CN)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915781 357757535 /nfs/dbraw/zinc/75/75/35/357757535.db2.gz OPXLTMGTGQDPKH-UHFFFAOYSA-N 0 3 308.338 1.167 20 5 DDBDHN COC(=O)CCNC(=O)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000599008387 357792447 /nfs/dbraw/zinc/79/24/47/357792447.db2.gz OOKMBUVTIMKCPW-UHFFFAOYSA-N 0 3 323.349 1.062 20 5 DDBDHN NC(=O)[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000599002448 357789595 /nfs/dbraw/zinc/78/95/95/357789595.db2.gz AXZCSYJKYKXJKM-XWEPSHTISA-N 0 3 315.276 1.550 20 5 DDBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1(C)COC1 ZINC000599574056 357980337 /nfs/dbraw/zinc/98/03/37/357980337.db2.gz NDXJBNHZDCHPBR-ZDUSSCGKSA-N 0 3 310.350 1.303 20 5 DDBDHN Cc1cc(S(=O)(=O)NCCN(C)C(C)C)c([N+](=O)[O-])s1 ZINC000601400205 358536113 /nfs/dbraw/zinc/53/61/13/358536113.db2.gz WHPWPSNTHUPPFT-UHFFFAOYSA-N 0 3 321.424 1.583 20 5 DDBDHN Cc1c(CNC[C@@H](O)C[C@](C)(O)C2CC2)cccc1[N+](=O)[O-] ZINC000601963272 358755034 /nfs/dbraw/zinc/75/50/34/358755034.db2.gz DYWDRYMLMCEFFW-HOCLYGCPSA-N 0 3 308.378 1.905 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccc(F)c2F)c1 ZINC000601969344 358758580 /nfs/dbraw/zinc/75/85/80/358758580.db2.gz QJTZLAKXJNHMHP-LLVKDONJSA-N 0 3 312.276 1.220 20 5 DDBDHN CCN(CCO)CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000185484107 199857641 /nfs/dbraw/zinc/85/76/41/199857641.db2.gz KIFLCEUNJCVUPF-UHFFFAOYSA-N 0 3 324.381 1.647 20 5 DDBDHN Cn1cc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484126 359009835 /nfs/dbraw/zinc/00/98/35/359009835.db2.gz HPIFYHOSWNSOLR-DOMZBBRYSA-N 0 3 319.409 1.777 20 5 DDBDHN COC[C@]1(C(=O)NCc2cccc([N+](=O)[O-])c2C)CCCCN1 ZINC000602498765 359015640 /nfs/dbraw/zinc/01/56/40/359015640.db2.gz KRTZQTWRDBTBLW-INIZCTEOSA-N 0 3 321.377 1.678 20 5 DDBDHN C[C@@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)N(C)C ZINC000602587471 359057754 /nfs/dbraw/zinc/05/77/54/359057754.db2.gz HPIYWNAXMMEQHE-LLVKDONJSA-N 0 3 321.381 1.025 20 5 DDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000602696282 359132228 /nfs/dbraw/zinc/13/22/28/359132228.db2.gz KUWLCXOCSFBDJG-CYBMUJFWSA-N 0 3 320.393 1.189 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3ncc[nH]3)CC2)cn1 ZINC000602731606 359154015 /nfs/dbraw/zinc/15/40/15/359154015.db2.gz OBGLQFSJMNTUHM-UHFFFAOYSA-N 0 3 302.338 1.472 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCOCC2(CCOCC2)C1 ZINC000602807884 359204486 /nfs/dbraw/zinc/20/44/86/359204486.db2.gz XBPSVEMIRYUSCC-UHFFFAOYSA-N 0 3 324.381 1.229 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000602873306 359256948 /nfs/dbraw/zinc/25/69/48/359256948.db2.gz IVTBKGYKECRNED-CYBMUJFWSA-N 0 3 309.414 1.762 20 5 DDBDHN Cn1cc(C[C@@H]2CCC[C@@H]2NCc2cn(C)nc2[N+](=O)[O-])cn1 ZINC000602894405 359278132 /nfs/dbraw/zinc/27/81/32/359278132.db2.gz GMXZYSMTSRUUJT-JSGCOSHPSA-N 0 3 318.381 1.563 20 5 DDBDHN CCO[C@H]1C[C@@](N)(C(=O)NCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000186736566 200000106 /nfs/dbraw/zinc/00/01/06/200000106.db2.gz SBUYMKNSCYIPBS-XJKSGUPXSA-N 0 3 321.377 1.744 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCN(C(C)C)C2)n1 ZINC000281072516 216061234 /nfs/dbraw/zinc/06/12/34/216061234.db2.gz AQDHWBWORIBIPL-JTQLQIEISA-N 0 3 308.338 1.671 20 5 DDBDHN CN1CCC[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000604532824 359761940 /nfs/dbraw/zinc/76/19/40/359761940.db2.gz NPZHTUREJKGCAC-GFCCVEGCSA-N 0 3 307.350 1.550 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H](CC(N)=O)C1CCCCC1 ZINC000348370332 283485682 /nfs/dbraw/zinc/48/56/82/283485682.db2.gz VQECSNJJOIQEQN-NSHDSACASA-N 0 3 309.370 1.242 20 5 DDBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H](F)CN1 ZINC000188533381 200262378 /nfs/dbraw/zinc/26/23/78/200262378.db2.gz FZFPIAWAWNXTIR-GXTWGEPZSA-N 0 3 309.341 1.734 20 5 DDBDHN CNC(=O)[C@@]1(C)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000281208478 216154016 /nfs/dbraw/zinc/15/40/16/216154016.db2.gz SHYKSTFTRNIZQO-HNNXBMFYSA-N 0 3 307.350 1.432 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000609478983 360311244 /nfs/dbraw/zinc/31/12/44/360311244.db2.gz AHTAGLBHKYBWAI-LLVKDONJSA-N 0 3 321.381 1.485 20 5 DDBDHN COCCN1CCC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000610239877 360395449 /nfs/dbraw/zinc/39/54/49/360395449.db2.gz AQMAGFYUVPQLAH-CQSZACIVSA-N 0 3 321.377 1.364 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](C(F)F)C1 ZINC000612110344 360923385 /nfs/dbraw/zinc/92/33/85/360923385.db2.gz DLVXILPDBGJFGS-MNOVXSKESA-N 0 3 316.304 1.922 20 5 DDBDHN COCCN1CCC(NC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000359160478 299343211 /nfs/dbraw/zinc/34/32/11/299343211.db2.gz NKBAXKUWSDBWQS-UHFFFAOYSA-N 0 3 321.377 1.744 20 5 DDBDHN CCOc1ccc([C@H](C)N[C@@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000349206367 283873940 /nfs/dbraw/zinc/87/39/40/283873940.db2.gz ACIQIVNYTDENKS-CMPLNLGQSA-N 0 3 307.350 1.923 20 5 DDBDHN O=[N+]([O-])c1cccc(OCCN2CCNC[C@@H]2C(F)F)c1 ZINC000566242496 304132268 /nfs/dbraw/zinc/13/22/68/304132268.db2.gz TZUGSNZVLGDAPZ-GFCCVEGCSA-N 0 3 301.293 1.513 20 5 DDBDHN C[C@H](CCN1CCN(C)CC1)NCc1ccc([N+](=O)[O-])cc1F ZINC000349851185 284077435 /nfs/dbraw/zinc/07/74/35/284077435.db2.gz NJJCXJTWNYORFY-CYBMUJFWSA-N 0 3 324.400 1.850 20 5 DDBDHN CCC[C@@](C)(N)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000262636046 203360671 /nfs/dbraw/zinc/36/06/71/203360671.db2.gz ZKTBCIIGIPYFTD-CQSZACIVSA-N 0 3 309.322 1.837 20 5 DDBDHN CN(CCCN1CCN(C)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000264676932 204071115 /nfs/dbraw/zinc/07/11/15/204071115.db2.gz VXTIUBJNHBKXFC-UHFFFAOYSA-N 0 3 310.373 1.808 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000341009063 251333734 /nfs/dbraw/zinc/33/37/34/251333734.db2.gz AHJGRHFAVIKMMT-AAEUAGOBSA-N 0 3 306.366 1.877 20 5 DDBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000272969443 210352432 /nfs/dbraw/zinc/35/24/32/210352432.db2.gz BETPXVWPUCPMJR-KBPBESRZSA-N 0 3 324.377 1.835 20 5 DDBDHN C[C@H](CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N(C)C ZINC000272952904 210339629 /nfs/dbraw/zinc/33/96/29/210339629.db2.gz GNPQYVYEJOCMMC-QMTHXVAHSA-N 0 3 320.349 1.154 20 5 DDBDHN COc1cc(CN2CCC[C@H](CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000352541498 285127788 /nfs/dbraw/zinc/12/77/88/285127788.db2.gz YNGFMXZCKXMYHB-LLVKDONJSA-N 0 3 307.350 1.691 20 5 DDBDHN Cc1nn(C)c(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000352869379 285348172 /nfs/dbraw/zinc/34/81/72/285348172.db2.gz WJXRSTUEQCBWKN-QWRGUYRKSA-N 0 3 323.397 1.629 20 5 DDBDHN CN1CCC(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000120975298 195274637 /nfs/dbraw/zinc/27/46/37/195274637.db2.gz RMAAPHIAMKMFMI-UHFFFAOYSA-N 0 3 314.345 1.967 20 5 DDBDHN CC(C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000294143094 533237530 /nfs/dbraw/zinc/23/75/30/533237530.db2.gz PMFLMBDSRINWOX-VIFPVBQESA-N 0 3 314.363 1.379 20 5 DDBDHN COc1cc(C(=O)NC[C@H]2CCCN2C)c([N+](=O)[O-])cc1F ZINC000294869977 533539043 /nfs/dbraw/zinc/53/90/43/533539043.db2.gz BVXZDLKSWYBXOS-SECBINFHSA-N 0 3 311.313 1.567 20 5 DDBDHN C[C@@H]1CCN[C@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000570035722 304391198 /nfs/dbraw/zinc/39/11/98/304391198.db2.gz OLLAPTWTLWHMSI-RISCZKNCSA-N 0 3 307.350 1.478 20 5 DDBDHN Cc1cccc(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000266575922 407567265 /nfs/dbraw/zinc/56/72/65/407567265.db2.gz LWRSROHMIWCUHC-HNNXBMFYSA-N 0 3 304.350 1.593 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(Cc2cccs2)C2CC2)c1 ZINC000075597178 406935622 /nfs/dbraw/zinc/93/56/22/406935622.db2.gz VWJMOCYLQUUBMO-ZDUSSCGKSA-N 0 3 322.390 1.878 20 5 DDBDHN CN1CCC(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000078473415 407029862 /nfs/dbraw/zinc/02/98/62/407029862.db2.gz JMAMFYNCJUEJIX-UHFFFAOYSA-N 0 3 320.393 1.997 20 5 DDBDHN CN1CCC(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000041488232 407007267 /nfs/dbraw/zinc/00/72/67/407007267.db2.gz XMUHIABXJPHNDU-UHFFFAOYSA-N 0 3 321.381 1.400 20 5 DDBDHN CN(C)Cc1cccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000052674908 407155501 /nfs/dbraw/zinc/15/55/01/407155501.db2.gz YSGPPUXFAZLNDA-UHFFFAOYSA-N 0 3 303.322 1.492 20 5 DDBDHN CC(C)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C1CCN(C)CC1 ZINC000053231212 407165847 /nfs/dbraw/zinc/16/58/47/407165847.db2.gz NVGYLDVUNJDCCP-UHFFFAOYSA-N 0 3 323.397 1.370 20 5 DDBDHN COc1ccc(CN[C@H](C)CC[S@](C)=O)cc1[N+](=O)[O-] ZINC000125569927 407392121 /nfs/dbraw/zinc/39/21/21/407392121.db2.gz BBMJNFKHTOZSKP-CFMSYZGJSA-N 0 3 300.380 1.850 20 5 DDBDHN Cc1c(CN2CCNC[C@@H]2c2nccn2C)cccc1[N+](=O)[O-] ZINC000261665613 407573292 /nfs/dbraw/zinc/57/32/92/407573292.db2.gz BJJSLQQJLSWCIE-OAHLLOKOSA-N 0 3 315.377 1.783 20 5 DDBDHN CN(C)[C@@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000170833355 407523962 /nfs/dbraw/zinc/52/39/62/407523962.db2.gz CIBHVYQBROWGJF-CQSZACIVSA-N 0 3 306.366 1.483 20 5 DDBDHN CN1CCN(CCCNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000266658229 407594608 /nfs/dbraw/zinc/59/46/08/407594608.db2.gz ZREFVZBEXLVYGQ-UHFFFAOYSA-N 0 3 324.410 1.353 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(C)CC[NH2+]CC1 ZINC000229626595 407668090 /nfs/dbraw/zinc/66/80/90/407668090.db2.gz TWZGWESKSLQJIP-UHFFFAOYSA-N 0 3 313.379 1.324 20 5 DDBDHN Cc1ccc(NC(=O)C(=O)NCCN(C)C(C)C)cc1[N+](=O)[O-] ZINC000118123667 407900499 /nfs/dbraw/zinc/90/04/99/407900499.db2.gz LCAUKPIPKYGUSF-UHFFFAOYSA-N 0 3 322.365 1.298 20 5 DDBDHN CC(C)(O)C(C)(C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000272561134 407982145 /nfs/dbraw/zinc/98/21/45/407982145.db2.gz IQUIDKZEDFXPGF-UHFFFAOYSA-N 0 3 321.377 1.623 20 5 DDBDHN CN1CCC(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272466334 407934147 /nfs/dbraw/zinc/93/41/47/407934147.db2.gz DYUKWPKVHMATAT-UHFFFAOYSA-N 0 3 313.304 1.897 20 5 DDBDHN C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000273060357 408037520 /nfs/dbraw/zinc/03/75/20/408037520.db2.gz YJKRMQOLEQXAJS-LBPRGKRZSA-N 0 3 318.377 1.773 20 5 DDBDHN COCCO[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000189679182 408076869 /nfs/dbraw/zinc/07/68/69/408076869.db2.gz ANMSTFJXXAVZQI-OAHLLOKOSA-N 0 3 310.350 1.711 20 5 DDBDHN CCN(CCNC(=O)CCn1cc([N+](=O)[O-])nc1C)C1CC1 ZINC000263771657 408249194 /nfs/dbraw/zinc/24/91/94/408249194.db2.gz SVOJBFXAWVGCKE-UHFFFAOYSA-N 0 3 309.370 1.090 20 5 DDBDHN Cn1cccc1[C@@H]1CCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246465375 408264360 /nfs/dbraw/zinc/26/43/60/408264360.db2.gz AKJYTKNBPAHZKU-HIFRSBDPSA-N 0 3 319.365 1.328 20 5 DDBDHN C[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000190335279 408223080 /nfs/dbraw/zinc/22/30/80/408223080.db2.gz XTJXPORVIIWHPV-CORIIIEPSA-N 0 3 310.350 1.037 20 5 DDBDHN COc1ccc(OCCN2CC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183197113 408349413 /nfs/dbraw/zinc/34/94/13/408349413.db2.gz MVDYXJUNXOXCFN-NEPJUHHUSA-N 0 3 310.350 1.685 20 5 DDBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000264063692 408358579 /nfs/dbraw/zinc/35/85/79/408358579.db2.gz ABFQRJLITPWJCP-NSHDSACASA-N 0 3 315.395 1.603 20 5 DDBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000158853233 408364449 /nfs/dbraw/zinc/36/44/49/408364449.db2.gz PRPHRYSDOXCDLX-YPMHNXCESA-N 0 3 323.397 1.371 20 5 DDBDHN C[C@H](NC[C@@H](O)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000173363983 162333913 /nfs/dbraw/zinc/33/39/13/162333913.db2.gz NIBOYQRJFCWBAX-SMDDNHRTSA-N 0 3 307.350 1.229 20 5 DDBDHN CCN(CCO)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000183952266 408517843 /nfs/dbraw/zinc/51/78/43/408517843.db2.gz JCDCBLURZXKSJR-VMPITWQZSA-N 0 3 307.350 1.038 20 5 DDBDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000160382892 408476951 /nfs/dbraw/zinc/47/69/51/408476951.db2.gz RMXGBVGCPQYSHY-CQSZACIVSA-N 0 3 307.350 1.171 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2c2ccncc2)c1 ZINC000270544552 408573095 /nfs/dbraw/zinc/57/30/95/408573095.db2.gz MBWJOXNFVCFQGS-GJZGRUSLSA-N 0 3 317.349 1.384 20 5 DDBDHN CN(C)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1 ZINC000160922440 408539763 /nfs/dbraw/zinc/53/97/63/408539763.db2.gz DIAVOYFGDXIBKY-NSHDSACASA-N 0 3 303.322 1.351 20 5 DDBDHN CN(C)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000160922440 408539768 /nfs/dbraw/zinc/53/97/68/408539768.db2.gz DIAVOYFGDXIBKY-NSHDSACASA-N 0 3 303.322 1.351 20 5 DDBDHN CS[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000270472329 408541582 /nfs/dbraw/zinc/54/15/82/408541582.db2.gz MASCERNFDFQXOA-KBPBESRZSA-N 0 3 323.418 1.641 20 5 DDBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000270921551 408740909 /nfs/dbraw/zinc/74/09/09/408740909.db2.gz KBJMQWKYCNCAQE-NSHDSACASA-N 0 3 320.393 1.979 20 5 DDBDHN CC[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000270840119 408701027 /nfs/dbraw/zinc/70/10/27/408701027.db2.gz DXEKGTVXRFHTLQ-UXIGCNINSA-N 0 3 310.350 1.037 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000164563870 408801070 /nfs/dbraw/zinc/80/10/70/408801070.db2.gz DWCUXHPOLMRTLQ-QWHCGFSZSA-N 0 3 321.381 1.042 20 5 DDBDHN CCCc1n[nH]c(C(=O)NCC2(N(C)C)CCC2)c1[N+](=O)[O-] ZINC000276106235 408821273 /nfs/dbraw/zinc/82/12/73/408821273.db2.gz ZQBVPYUGQBRWQP-UHFFFAOYSA-N 0 3 309.370 1.485 20 5 DDBDHN CC(C)N(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000291730413 408914736 /nfs/dbraw/zinc/91/47/36/408914736.db2.gz JNQUXPVYRWGIOO-GJZGRUSLSA-N 0 3 324.377 1.834 20 5 DDBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H](c1ccccc1)N(C)C ZINC000285984763 408901705 /nfs/dbraw/zinc/90/17/05/408901705.db2.gz FZONWUZDTCOFLD-QMTHXVAHSA-N 0 3 317.349 1.739 20 5 DDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000287309699 409018107 /nfs/dbraw/zinc/01/81/07/409018107.db2.gz UQXVOSVOEOHPIQ-BXUZGUMPSA-N 0 3 318.377 1.876 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CO)C1CCCC1 ZINC000289410366 409266289 /nfs/dbraw/zinc/26/62/89/409266289.db2.gz AYVLVHFOPQEKCG-OAHLLOKOSA-N 0 3 321.377 1.982 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCOCCN(C)C)c1 ZINC000318984141 164033921 /nfs/dbraw/zinc/03/39/21/164033921.db2.gz KITNLGLMVCOZDF-UHFFFAOYSA-N 0 3 311.338 1.372 20 5 DDBDHN COc1cc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000347017737 164097411 /nfs/dbraw/zinc/09/74/11/164097411.db2.gz UVAAOQWECWAIQV-ZDUSSCGKSA-N 0 3 319.361 1.912 20 5 DDBDHN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(CCCO)C1 ZINC000295476801 409500411 /nfs/dbraw/zinc/50/04/11/409500411.db2.gz NUORGDHDSIICAQ-CQSZACIVSA-N 0 3 321.377 1.100 20 5 DDBDHN CN(C[C@@H]1CCCN(C)C1)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342406694 409603280 /nfs/dbraw/zinc/60/32/80/409603280.db2.gz HWYPSNYELUMMQM-LLVKDONJSA-N 0 3 306.366 1.472 20 5 DDBDHN C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])[n-]3)CC2)CCO1 ZINC000345051013 409608545 /nfs/dbraw/zinc/60/85/45/409608545.db2.gz JFTCDUUAMAJHTE-LLVKDONJSA-N 0 3 322.365 1.248 20 5 DDBDHN C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])[n-]3)CC2)CCO1 ZINC000345051013 409608554 /nfs/dbraw/zinc/60/85/54/409608554.db2.gz JFTCDUUAMAJHTE-LLVKDONJSA-N 0 3 322.365 1.248 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1N1CCCC1 ZINC000331665097 409749682 /nfs/dbraw/zinc/74/96/82/409749682.db2.gz YUWXFRLMEKMZGC-QWHCGFSZSA-N 0 3 324.406 1.575 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(CC3CCOCC3)CC2)cn1 ZINC000332408581 410134489 /nfs/dbraw/zinc/13/44/89/410134489.db2.gz YXFGPTDCPHDKRU-UHFFFAOYSA-N 0 3 306.366 1.538 20 5 DDBDHN COc1cc(C(=O)NC[C@H](C)N(C)C)c([N+](=O)[O-])cc1OC ZINC000298367147 410199165 /nfs/dbraw/zinc/19/91/65/410199165.db2.gz SNDBCCTXTPFGAW-VIFPVBQESA-N 0 3 311.338 1.292 20 5 DDBDHN C[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])N(C)C ZINC000298489816 410252765 /nfs/dbraw/zinc/25/27/65/410252765.db2.gz XOICACVGKJRPHR-SNVBAGLBSA-N 0 3 306.366 1.849 20 5 DDBDHN CN(C)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000351901112 410325862 /nfs/dbraw/zinc/32/58/62/410325862.db2.gz WCUGKILJOAXRBG-UHFFFAOYSA-N 0 3 310.354 1.106 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000355202254 410375579 /nfs/dbraw/zinc/37/55/79/410375579.db2.gz YJWRBINQBYSTTL-VIFPVBQESA-N 0 3 314.773 1.998 20 5 DDBDHN C[C@H](CN(C)C)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000355202252 410377032 /nfs/dbraw/zinc/37/70/32/410377032.db2.gz YJWRBINQBYSTTL-SECBINFHSA-N 0 3 314.773 1.998 20 5 DDBDHN CCc1ccc(C(=O)NC[C@@](C)(O)CCN(C)C)cc1[N+](=O)[O-] ZINC000352110374 410487294 /nfs/dbraw/zinc/48/72/94/410487294.db2.gz BSGLUTASBFUULU-INIZCTEOSA-N 0 3 323.393 1.590 20 5 DDBDHN CCN1C[C@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000330569426 410785595 /nfs/dbraw/zinc/78/55/95/410785595.db2.gz MCUIDYLCPHOQLE-OLZOCXBDSA-N 0 3 320.393 1.948 20 5 DDBDHN C[C@@H]1CCCCN1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301947444 410836782 /nfs/dbraw/zinc/83/67/82/410836782.db2.gz YALMSGCNRAFHPW-LLVKDONJSA-N 0 3 304.354 1.924 20 5 DDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)N1CCC[C@H](C)C1 ZINC000356150101 410864424 /nfs/dbraw/zinc/86/44/24/410864424.db2.gz HTHWUJYCCXUDRA-QWRGUYRKSA-N 0 3 309.370 1.179 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C)C[C@H]1C ZINC000330671870 410865332 /nfs/dbraw/zinc/86/53/32/410865332.db2.gz NHCSOZBDFQKIHE-CYBMUJFWSA-N 0 3 320.393 1.868 20 5 DDBDHN Cc1c([C@H](C)NC[C@H]2CN(C)CCN2C)cccc1[N+](=O)[O-] ZINC000330673531 410865440 /nfs/dbraw/zinc/86/54/40/410865440.db2.gz HKGPOMFCILMVPH-KBPBESRZSA-N 0 3 306.410 1.800 20 5 DDBDHN C[C@@H]1[C@H](C(F)(F)F)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000348288523 410899485 /nfs/dbraw/zinc/89/94/85/410899485.db2.gz WMCXNNYDUBSTDS-DVVUODLYSA-N 0 3 322.287 1.425 20 5 DDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cncn1C ZINC000353567366 411067343 /nfs/dbraw/zinc/06/73/43/411067343.db2.gz NMYXQTKTVATCQF-NSHDSACASA-N 0 3 317.349 1.835 20 5 DDBDHN COC(=O)c1cc(C)nc(NC[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000341841960 411069347 /nfs/dbraw/zinc/06/93/47/411069347.db2.gz KOBXYTPCJJNQJE-JTQLQIEISA-N 0 3 308.338 1.591 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N(C)C[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000331250739 411041629 /nfs/dbraw/zinc/04/16/29/411041629.db2.gz ZYWNFEGAXGSVJG-JTQLQIEISA-N 0 3 309.370 1.608 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N(C)C[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000331250739 411041634 /nfs/dbraw/zinc/04/16/34/411041634.db2.gz ZYWNFEGAXGSVJG-JTQLQIEISA-N 0 3 309.370 1.608 20 5 DDBDHN COC(=O)COc1ccc(CNCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000353741285 411121330 /nfs/dbraw/zinc/12/13/30/411121330.db2.gz STYHFKXYYSVIMM-UHFFFAOYSA-N 0 3 324.333 1.151 20 5 DDBDHN CC(=O)N[C@@H](C)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000360311203 411125861 /nfs/dbraw/zinc/12/58/61/411125861.db2.gz SRTXSRVBUGHNDI-NSHDSACASA-N 0 3 309.370 1.028 20 5 DDBDHN CC[C@@](C)(NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(N)=O ZINC000177128078 221843930 /nfs/dbraw/zinc/84/39/30/221843930.db2.gz HAHUELBGZMXOOU-OAHLLOKOSA-N 0 3 322.365 1.475 20 5 DDBDHN CN1CCC[C@@H](N2CCN(c3ncc([N+](=O)[O-])s3)CC2)C1 ZINC000375590781 418658550 /nfs/dbraw/zinc/65/85/50/418658550.db2.gz JJSTYWYIFIFHHD-LLVKDONJSA-N 0 3 311.411 1.268 20 5 DDBDHN COc1cc(CNC(C)(C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000411999789 419557760 /nfs/dbraw/zinc/55/77/60/419557760.db2.gz SUQZGQNYMLZYIW-UHFFFAOYSA-N 0 3 323.393 1.804 20 5 DDBDHN CC(C)(NC[C@@H](O)CN1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000429229194 419990623 /nfs/dbraw/zinc/99/06/23/419990623.db2.gz GZMNJNOSQJZKMA-CYBMUJFWSA-N 0 3 323.393 1.113 20 5 DDBDHN COCCNCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423467598 420057370 /nfs/dbraw/zinc/05/73/70/420057370.db2.gz APLSITSXFNBXEN-UHFFFAOYSA-N 0 3 318.333 1.109 20 5 DDBDHN C[C@@]1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCCCN1 ZINC000423824034 420208992 /nfs/dbraw/zinc/20/89/92/420208992.db2.gz IXSLCPBNQQNMSP-HNNXBMFYSA-N 0 3 304.350 1.407 20 5 DDBDHN Cc1cc(NC2CCN([C@@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC000301733467 229858711 /nfs/dbraw/zinc/85/87/11/229858711.db2.gz UEJLEGJFQXCWCV-CYBMUJFWSA-N 0 3 306.366 1.963 20 5 DDBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000457120165 420621530 /nfs/dbraw/zinc/62/15/30/420621530.db2.gz NTUJWDPMLKJMSV-NSHDSACASA-N 0 3 324.356 1.871 20 5 DDBDHN O=C(CCN[C@H](CO)[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000447918606 420820070 /nfs/dbraw/zinc/82/00/70/420820070.db2.gz ZTNNTQHZZBYKID-ZIAGYGMSSA-N 0 3 323.349 1.053 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCCN1CCCO ZINC000450601296 421216247 /nfs/dbraw/zinc/21/62/47/421216247.db2.gz YITFPXLKQQLBSD-LBPRGKRZSA-N 0 3 311.386 1.378 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCCCN1CCO ZINC000450612630 421217141 /nfs/dbraw/zinc/21/71/41/421217141.db2.gz KFLJYXPBXLZHQT-LBPRGKRZSA-N 0 3 311.386 1.378 20 5 DDBDHN C[C@@H]1C[C@H](C)CN(CCSc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000565243505 421596914 /nfs/dbraw/zinc/59/69/14/421596914.db2.gz YWSBREKYFUVBDA-AOOOYVTPSA-N 0 3 311.411 2.037 20 5 DDBDHN CC(C)(C)OCCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571516375 421721647 /nfs/dbraw/zinc/72/16/47/421721647.db2.gz MNZGQIXKFILAJB-GFCCVEGCSA-N 0 3 312.366 1.739 20 5 DDBDHN CN(C)[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1cccc(F)c1 ZINC000590569351 422321265 /nfs/dbraw/zinc/32/12/65/422321265.db2.gz QMKIHCURTQINJH-CYBMUJFWSA-N 0 3 319.340 2.426 20 5 DDBDHN COCCCN(C)CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611705620 422478529 /nfs/dbraw/zinc/47/85/29/422478529.db2.gz GDRZGRZZTQTLJF-UHFFFAOYSA-N 0 3 319.365 1.918 20 5 DDBDHN COCCN1CCC(Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000341848062 271221949 /nfs/dbraw/zinc/22/19/49/271221949.db2.gz USSQVGWZDSKBNA-UHFFFAOYSA-N 0 3 322.365 1.216 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CCCN1C ZINC000345328973 272220456 /nfs/dbraw/zinc/22/04/56/272220456.db2.gz VEJKXJXFHXAEQJ-NEPJUHHUSA-N 0 3 306.366 1.606 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(N2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000267386599 274118366 /nfs/dbraw/zinc/11/83/66/274118366.db2.gz MPPJNMBTEPNLRS-ZDUSSCGKSA-N 0 3 321.377 1.762 20 5 DDBDHN C[C@H](N[C@@H](C)[C@@H]1CCOC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000266320083 274518391 /nfs/dbraw/zinc/51/83/91/274518391.db2.gz RVGDKYMPBQVQQS-SDDRHHMPSA-N 0 3 307.350 1.936 20 5 DDBDHN CCC[C@]1(CO)CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000277653833 276053719 /nfs/dbraw/zinc/05/37/19/276053719.db2.gz DFIYREIQWVKNCT-MRXNPFEDSA-N 0 3 321.377 1.821 20 5 DDBDHN CN1CCC[C@@]2(CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292664757 277072625 /nfs/dbraw/zinc/07/26/25/277072625.db2.gz CSDOWAYRXXZSDI-MRXNPFEDSA-N 0 3 318.377 1.616 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC1(S(C)(=O)=O)CC1 ZINC000449296102 279382086 /nfs/dbraw/zinc/38/20/86/279382086.db2.gz XVLCHMXURLQPIG-LLVKDONJSA-N 0 3 312.391 1.693 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H]1CCO ZINC000426230006 280375794 /nfs/dbraw/zinc/37/57/94/280375794.db2.gz JTHPGXCFCIDNLL-OLZOCXBDSA-N 0 3 310.350 1.181 20 5 DDBDHN NC(=O)c1ccc(CN2CCC[C@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000362454462 300067740 /nfs/dbraw/zinc/06/77/40/300067740.db2.gz QNQJGKAMIONJMU-UONOGXRCSA-N 0 3 319.361 1.695 20 5 DDBDHN COCCO[C@@H]1COCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000362530026 300087578 /nfs/dbraw/zinc/08/75/78/300087578.db2.gz UZXZRUVGODPHLU-LSDHHAIUSA-N 0 3 310.350 1.505 20 5 DDBDHN CN(c1ncc([N+](=O)[O-])cn1)C1CCN(c2ccncc2)CC1 ZINC000363888203 300321264 /nfs/dbraw/zinc/32/12/64/300321264.db2.gz PFBHQCLMSLQHTN-UHFFFAOYSA-N 0 3 314.349 1.885 20 5 DDBDHN CN1CC[C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C[C@@H]21 ZINC000364300795 300372213 /nfs/dbraw/zinc/37/22/13/300372213.db2.gz GURFOZRAFNSNMS-UWVGGRQHSA-N 0 3 307.379 1.834 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000375994949 302021147 /nfs/dbraw/zinc/02/11/47/302021147.db2.gz OJLALPCUDGNNMF-SCRDCRAPSA-N 0 3 308.382 1.844 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000235753973 302048806 /nfs/dbraw/zinc/04/88/06/302048806.db2.gz LYXHXMCKXNASLG-WDEREUQCSA-N 0 3 313.379 1.322 20 5 DDBDHN CN1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000378310175 302310567 /nfs/dbraw/zinc/31/05/67/302310567.db2.gz UHKFMKLURDJEOO-VXGBXAGGSA-N 0 3 315.333 1.146 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cnc2c(c1)CNCC2 ZINC000362634845 307023201 /nfs/dbraw/zinc/02/32/01/307023201.db2.gz LPICONGTNIKGQV-UHFFFAOYSA-N 0 3 312.329 1.817 20 5 DDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cccc2c1CNCC2 ZINC000367507437 307095665 /nfs/dbraw/zinc/09/56/65/307095665.db2.gz LXGUKILJUHBSEU-UHFFFAOYSA-N 0 3 315.333 1.466 20 5 DDBDHN COc1cc(C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000376642894 307251199 /nfs/dbraw/zinc/25/11/99/307251199.db2.gz MLLUEUZLLUSESB-SMDDNHRTSA-N 0 3 319.361 1.770 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000377645106 307275500 /nfs/dbraw/zinc/27/55/00/307275500.db2.gz BNGGDEYZRINVDP-ZFWWWQNUSA-N 0 3 315.377 1.863 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000378474488 307288798 /nfs/dbraw/zinc/28/87/98/307288798.db2.gz RBEOYIPRHRRNOW-HZMBPMFUSA-N 0 3 307.325 1.900 20 5 DDBDHN COc1ccc(F)cc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000563707437 307979683 /nfs/dbraw/zinc/97/96/83/307979683.db2.gz OWUIZVILNHJOEY-CYBMUJFWSA-N 0 3 324.312 1.090 20 5 DDBDHN Cc1cc(CCNC[C@H](O)COc2cccc([N+](=O)[O-])c2)on1 ZINC000568621017 308124471 /nfs/dbraw/zinc/12/44/71/308124471.db2.gz QECLVKUXJKSWGT-ZDUSSCGKSA-N 0 3 321.333 1.463 20 5 DDBDHN O=C1N=NCN1C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000576930146 308349900 /nfs/dbraw/zinc/34/99/00/308349900.db2.gz AEPDMFOQTJZVSP-UHFFFAOYSA-N 0 3 317.349 1.772 20 5 DDBDHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000443349072 533823793 /nfs/dbraw/zinc/82/37/93/533823793.db2.gz SYPVCIUBNNRCJE-BZPMIXESSA-N 0 3 309.366 1.238 20 5 DDBDHN COc1cc(CN[C@@H]2CCCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000445765507 533896986 /nfs/dbraw/zinc/89/69/86/533896986.db2.gz MAFUONCQOBJYKD-VXGBXAGGSA-N 0 3 307.350 1.737 20 5 DDBDHN C[C@H](NC[C@H](O)c1cnn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294640347 533903195 /nfs/dbraw/zinc/90/31/95/533903195.db2.gz GHIQXAKNWXQHQZ-XPTSAGLGSA-N 0 3 305.338 1.295 20 5 DDBDHN CCN(C)C(=O)CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331351480 527727124 /nfs/dbraw/zinc/72/71/24/527727124.db2.gz WLYDIKJFUNJQGN-RYUDHWBXSA-N 0 3 309.370 1.343 20 5 DDBDHN CC(C)N1CC[C@H](N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000452123215 529076575 /nfs/dbraw/zinc/07/65/75/529076575.db2.gz VIKUPPZXNZFQNA-ZDUSSCGKSA-N 0 3 320.393 1.948 20 5 DDBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1CCN(C2CC2)C1 ZINC000746882332 700043486 /nfs/dbraw/zinc/04/34/86/700043486.db2.gz LQOUHRLHVGCPGK-SNVBAGLBSA-N 0 3 323.324 1.466 20 5 DDBDHN CC(=O)NC[C@@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580559 698120705 /nfs/dbraw/zinc/12/07/05/698120705.db2.gz WJWWKQOYHIPELB-XJKSGUPXSA-N 0 3 321.377 1.476 20 5 DDBDHN COc1ccc(CNC(=O)C2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000763030587 700920765 /nfs/dbraw/zinc/92/07/65/700920765.db2.gz RJXHAENYLANIAP-UHFFFAOYSA-N 0 3 307.350 1.704 20 5 DDBDHN COc1cccc(C(=O)NCCN2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000770739795 701292838 /nfs/dbraw/zinc/29/28/38/701292838.db2.gz MFGNFBCSIRNLQU-LLVKDONJSA-N 0 3 307.350 1.818 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]2[C@@H](O)c2ccccc2)c1 ZINC000879245409 706627401 /nfs/dbraw/zinc/62/74/01/706627401.db2.gz XLWALMHTLCZDBB-HOTGVXAUSA-N 0 3 316.361 1.989 20 5 DDBDHN CC(COC(=O)c1ccccc1S[C@@H](C)C(N)=O)[N+](=O)[O-] ZINC000813101970 702291136 /nfs/dbraw/zinc/29/11/36/702291136.db2.gz MGPJIRUSJABTGA-BDAKNGLRSA-N 0 3 312.347 1.475 20 5 DDBDHN Cc1cc(S(C)(=O)=O)cc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813110517 702296394 /nfs/dbraw/zinc/29/63/94/702296394.db2.gz CFQAEOQSTOZTFU-SECBINFHSA-N 0 3 315.347 1.529 20 5 DDBDHN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813110384 702296456 /nfs/dbraw/zinc/29/64/56/702296456.db2.gz ZHNARCPKWDFHDX-SRVKXCTJSA-N 0 3 300.355 1.480 20 5 DDBDHN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113943 702299188 /nfs/dbraw/zinc/29/91/88/702299188.db2.gz WTJWLKBJMDEEGR-HZMBPMFUSA-N 0 3 306.318 1.168 20 5 DDBDHN CO[C@@H]1CC[C@H](N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000851716915 703835493 /nfs/dbraw/zinc/83/54/93/703835493.db2.gz OGOPZLSYAFUAGV-GXTWGEPZSA-N 0 3 306.366 1.679 20 5 DDBDHN CC(C)(C)N1C[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000819127598 704072915 /nfs/dbraw/zinc/07/29/15/704072915.db2.gz UYNWJHZBBBLZCP-OCCSQVGLSA-N 0 3 321.377 1.617 20 5 DDBDHN CCC[C@@H](C)C(=O)NCCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819330491 704108535 /nfs/dbraw/zinc/10/85/35/704108535.db2.gz SSJCRPZEVBZZPW-DOMZBBRYSA-N 0 3 323.393 1.770 20 5 DDBDHN CC(C)(CCC(=O)NC1CCN([C@@H]2CCOC2)CC1)[N+](=O)[O-] ZINC000856098888 704513463 /nfs/dbraw/zinc/51/34/63/704513463.db2.gz VJRATEKZVQWNOK-CYBMUJFWSA-N 0 3 313.398 1.191 20 5 DDBDHN CC[NH2+][C@H](C)C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857768229 704623160 /nfs/dbraw/zinc/62/31/60/704623160.db2.gz OAKXCJKQOUTAGR-SECBINFHSA-N 0 3 317.292 1.681 20 5 DDBDHN C[C@H](CN1CCCCC1)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824969645 705569419 /nfs/dbraw/zinc/56/94/19/705569419.db2.gz HQAMCANBYBNADM-IUODEOHRSA-N 0 3 321.377 1.619 20 5 DDBDHN C[C@H]1CCCN(CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825098961 705599474 /nfs/dbraw/zinc/59/94/74/705599474.db2.gz RAHWASLORUWKMO-SWLSCSKDSA-N 0 3 321.377 1.476 20 5 DDBDHN C/C(=C\C(=O)NCCN1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000863319833 705900376 /nfs/dbraw/zinc/90/03/76/705900376.db2.gz PIANAICXVPDSEJ-HBIYDYFMSA-N 0 3 319.361 1.181 20 5 DDBDHN COC[C@]1(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CCCCN1 ZINC000877240697 706029968 /nfs/dbraw/zinc/02/99/68/706029968.db2.gz GVJGHHGFSDPXCS-INIZCTEOSA-N 0 3 321.377 1.678 20 5 DDBDHN CCN1CC[C@H]1CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000883361035 707984464 /nfs/dbraw/zinc/98/44/64/707984464.db2.gz RNDNLUFTWPSQAV-LBPRGKRZSA-N 0 3 309.366 1.796 20 5 DDBDHN C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCN1C ZINC000928438656 713195937 /nfs/dbraw/zinc/19/59/37/713195937.db2.gz GVYAKOOSOLDLNT-GXFFZTMASA-N 0 3 314.345 1.965 20 5 DDBDHN CN(C)c1ccnc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000905524618 712064439 /nfs/dbraw/zinc/06/44/39/712064439.db2.gz KFIUFXKJNNRSSA-INIZCTEOSA-N 0 3 316.361 1.879 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC[C@H]1CNC(=O)C1 ZINC000922782267 714146330 /nfs/dbraw/zinc/14/63/30/714146330.db2.gz QSGHECDBTKPLBT-LLVKDONJSA-N 0 3 307.350 1.609 20 5 DDBDHN O=C1OCC[C@@]12CCN(CCOc1ccccc1[N+](=O)[O-])C2 ZINC001198810552 747619568 /nfs/dbraw/zinc/61/95/68/747619568.db2.gz MIHWBCPFLRBZEH-OAHLLOKOSA-N 0 3 306.318 1.613 20 5 DDBDHN CN1CCN(C(=N)Nc2cnc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001157915099 767283845 /nfs/dbraw/zinc/28/38/45/767283845.db2.gz PCZCANGOVBAKLU-UHFFFAOYSA-N 0 3 315.337 1.132 20 5 DDBDHN O=C(C1CC1)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001048636853 769604983 /nfs/dbraw/zinc/60/49/83/769604983.db2.gz XDLBZRLQNRABDD-GASCZTMLSA-N 0 3 315.373 1.895 20 5 DDBDHN Cc1nc(C)c(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC001133989911 770530467 /nfs/dbraw/zinc/53/04/67/770530467.db2.gz YUBRGHIOZMJNOR-UHFFFAOYSA-N 0 3 317.349 1.454 20 5 DDBDHN Cc1nc(NCCNC(=O)C2(N(C)C)CCC2)ccc1[N+](=O)[O-] ZINC001093926907 775219395 /nfs/dbraw/zinc/21/93/95/775219395.db2.gz PXPMISWHAQPTNC-UHFFFAOYSA-N 0 3 321.381 1.311 20 5 DDBDHN CCN(C)C(C)(C)C(=O)NCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001093952396 775260530 /nfs/dbraw/zinc/26/05/30/775260530.db2.gz AACHZQBOIOGXHL-UHFFFAOYSA-N 0 3 323.397 1.557 20 5 DDBDHN CCN(CC)CC(=O)NCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094441902 775877444 /nfs/dbraw/zinc/87/74/44/775877444.db2.gz IUFGOENAUBNLEG-UHFFFAOYSA-N 0 3 309.370 1.250 20 5 DDBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cncnc1 ZINC001266681885 836659637 /nfs/dbraw/zinc/65/96/37/836659637.db2.gz GOUYXGHVRJYWJV-UHFFFAOYSA-N 0 3 315.333 1.247 20 5 DDBDHN CN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(C)C1 ZINC001326489241 861403714 /nfs/dbraw/zinc/40/37/14/861403714.db2.gz PLPNIQUVRHFISD-KGLIPLIRSA-N 0 3 307.350 1.181 20 5 DDBDHN C[C@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC001121931337 858638411 /nfs/dbraw/zinc/63/84/11/858638411.db2.gz KVMKYGLJOVNOFP-QWRGUYRKSA-N 0 3 309.341 1.875 20 5 DDBDHN Cc1nn(C)cc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001124960501 859855601 /nfs/dbraw/zinc/85/56/01/859855601.db2.gz DMRQDLGJRNLHJR-UHFFFAOYSA-N 0 3 317.349 1.156 20 5 DDBDHN COc1nc(N2CCN[C@H](c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001157759121 864109422 /nfs/dbraw/zinc/10/94/22/864109422.db2.gz JCRNERZNGBFDHP-LBPRGKRZSA-N 0 3 315.333 1.544 20 5 DDBDHN C[C@@H](Nc1nccc2cc([N+](=O)[O-])ccc21)[C@H]1CNCCO1 ZINC001159499651 865353431 /nfs/dbraw/zinc/35/34/31/865353431.db2.gz BBJQJSCILDQGAE-QMTHXVAHSA-N 0 3 302.334 1.932 20 5 DDBDHN CN1CCCC[C@@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001337533172 869528120 /nfs/dbraw/zinc/52/81/20/869528120.db2.gz AWCYICGDJKFHPU-GFCCVEGCSA-N 0 3 309.341 1.877 20 5 DDBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)c[nH]1 ZINC001317612670 871203136 /nfs/dbraw/zinc/20/31/36/871203136.db2.gz VWXFTAWFRDWJBF-UHFFFAOYSA-N 0 3 320.324 1.924 20 5 DDBDHN CCn1ncc(Br)c1C(=O)OCC(C)[N+](=O)[O-] ZINC001343651520 872701580 /nfs/dbraw/zinc/70/15/80/872701580.db2.gz QOIIUWZZIDFICZ-LURJTMIESA-N 0 3 306.116 1.488 20 5 DDBDHN CC(COC(=O)[C@H]1CCN(Cc2ccccc2)C1=O)[N+](=O)[O-] ZINC001344996369 873214455 /nfs/dbraw/zinc/21/44/55/873214455.db2.gz DVKLRPXJESHXHL-YPMHNXCESA-N 0 3 306.318 1.244 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCc2nncn2CC1 ZINC001254553496 896499388 /nfs/dbraw/zinc/49/93/88/896499388.db2.gz WDLGOACBEBESKM-GFCCVEGCSA-N 0 3 301.350 1.676 20 5 DDBDHN CN1CCCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001262653900 900286241 /nfs/dbraw/zinc/28/62/41/900286241.db2.gz SNFWAPWLJSKNBW-CYBMUJFWSA-N 0 3 307.350 1.574 20 5 DDBDHN COC[C@H](C)OC[C@@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000278442465 214156909 /nfs/dbraw/zinc/15/69/09/214156909.db2.gz WKHUCHBOKGRWHE-XQQFMLRXSA-N 0 3 312.366 1.658 20 5 DDBDHN Cc1[nH]cnc1CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000278741284 214368123 /nfs/dbraw/zinc/36/81/23/214368123.db2.gz VAYRFJJUCPZBIL-UHFFFAOYSA-N 0 3 303.322 1.397 20 5 DDBDHN COC[C@]1(CO)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000451935506 231240720 /nfs/dbraw/zinc/24/07/20/231240720.db2.gz WEYLLFFOUADFER-OAHLLOKOSA-N 0 3 310.350 1.304 20 5 DDBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCCN1CCCO ZINC000452345773 231354181 /nfs/dbraw/zinc/35/41/81/231354181.db2.gz FTSXFBRLCFOOHM-CQSZACIVSA-N 0 3 321.377 1.100 20 5 DDBDHN CN(C)CCN(C)c1ncc([N+](=O)[O-])cc1Br ZINC000267257644 282305569 /nfs/dbraw/zinc/30/55/69/282305569.db2.gz POXIPVHMDLVJEP-UHFFFAOYSA-N 0 3 303.160 1.750 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](O)CC1 ZINC000293025974 282361319 /nfs/dbraw/zinc/36/13/19/282361319.db2.gz FVSVUIIQRSXRBT-CHWSQXEVSA-N 0 3 310.350 1.181 20 5 DDBDHN CCOC1CC(N(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000287000831 219263422 /nfs/dbraw/zinc/26/34/22/219263422.db2.gz QBKCTQBSSWMQDW-BBBYJDLNSA-N 0 3 324.377 1.834 20 5 DDBDHN CN(C)CC(C)(C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000459544710 233295988 /nfs/dbraw/zinc/29/59/88/233295988.db2.gz FFNWCAJRBSHDBS-UHFFFAOYSA-N 0 3 320.393 1.414 20 5 DDBDHN COc1cc(C(=O)NCCN2CCCC2)c([N+](=O)[O-])cc1OC ZINC000072634386 191205336 /nfs/dbraw/zinc/20/53/36/191205336.db2.gz PKZNCZCYGAGPIH-UHFFFAOYSA-N 0 3 323.349 1.438 20 5 DDBDHN CCN1CCN(C[C@@H](C)CNc2ccncc2[N+](=O)[O-])CC1 ZINC000060380151 352869844 /nfs/dbraw/zinc/86/98/44/352869844.db2.gz MMESHNQJVOFVTO-ZDUSSCGKSA-N 0 3 307.398 1.675 20 5 DDBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CC1 ZINC000066631300 353008913 /nfs/dbraw/zinc/00/89/13/353008913.db2.gz WJGLSPVBSYFTFO-UHFFFAOYSA-N 0 3 321.333 1.190 20 5 DDBDHN CCN(C)CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000068468055 353113344 /nfs/dbraw/zinc/11/33/44/353113344.db2.gz JGSLDYQFMWJVID-UHFFFAOYSA-N 0 3 304.350 1.617 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000068226859 353097511 /nfs/dbraw/zinc/09/75/11/353097511.db2.gz KVLSOTTXTCJKNJ-NWDGAFQWSA-N 0 3 323.397 1.336 20 5 DDBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000069502710 353164454 /nfs/dbraw/zinc/16/44/54/353164454.db2.gz XIQBPKSNGCSNLQ-CQSZACIVSA-N 0 3 321.377 1.744 20 5 DDBDHN CNC(=O)c1ccc(NCCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000076921337 353442766 /nfs/dbraw/zinc/44/27/66/353442766.db2.gz RKMKTOFYNOEGCR-UHFFFAOYSA-N 0 3 306.366 1.852 20 5 DDBDHN CCCCNC(=O)[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174836897 198391462 /nfs/dbraw/zinc/39/14/62/198391462.db2.gz OHJZKUWNNXVGAB-ZDUSSCGKSA-N 0 3 323.397 1.420 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000123283675 354031115 /nfs/dbraw/zinc/03/11/15/354031115.db2.gz XXQJZJATVWMMMR-GHMZBOCLSA-N 0 3 313.379 1.451 20 5 DDBDHN COCCN(C)C[C@@H](O)COc1cc(C)c([N+](=O)[O-])cc1F ZINC000319560817 354522494 /nfs/dbraw/zinc/52/24/94/354522494.db2.gz PEGUEGSAJUBZRW-LLVKDONJSA-N 0 3 316.329 1.360 20 5 DDBDHN Cc1c(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588860602 354943731 /nfs/dbraw/zinc/94/37/31/354943731.db2.gz JYQOATUSLJYVOG-OLZOCXBDSA-N 0 3 319.361 1.184 20 5 DDBDHN CN(C)C[C@@H](CO)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000588863809 354944414 /nfs/dbraw/zinc/94/44/14/354944414.db2.gz UNLFOROYELNLCY-LBPRGKRZSA-N 0 3 323.393 1.545 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)CCN2CCCC2)c1 ZINC000589518378 354999111 /nfs/dbraw/zinc/99/91/11/354999111.db2.gz KKBSJCQKOUTPEX-UHFFFAOYSA-N 0 3 321.377 1.909 20 5 DDBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000589528901 355000197 /nfs/dbraw/zinc/00/01/97/355000197.db2.gz PIRJBWZSHDOVNU-LLVKDONJSA-N 0 3 317.349 1.568 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C1 ZINC000590442265 355096858 /nfs/dbraw/zinc/09/68/58/355096858.db2.gz FCGFGKYRIZNOIE-JOYOIKCWSA-N 0 3 319.317 1.100 20 5 DDBDHN CN(C[C@@H]1CCCN1C)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000591464147 355317028 /nfs/dbraw/zinc/31/70/28/355317028.db2.gz AVSXBHWGDRRQFX-JTQLQIEISA-N 0 3 317.349 1.774 20 5 DDBDHN Cc1ccc(CN2CN(CCN(C)C)C(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592523785 355611681 /nfs/dbraw/zinc/61/16/81/355611681.db2.gz BSYQCWLPIGLTRE-ZDUSSCGKSA-N 0 3 320.393 1.455 20 5 DDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000592525278 355613112 /nfs/dbraw/zinc/61/31/12/355613112.db2.gz OCBPUOZMDXZDRK-GFCCVEGCSA-N 0 3 306.366 1.147 20 5 DDBDHN CC(C)[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCN1 ZINC000592543789 355622804 /nfs/dbraw/zinc/62/28/04/355622804.db2.gz KHYLKFSZTXCVJK-LLVKDONJSA-N 0 3 321.333 1.394 20 5 DDBDHN CN1C[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000593744193 355983620 /nfs/dbraw/zinc/98/36/20/355983620.db2.gz OYEHHHVRNWBVSO-SWLSCSKDSA-N 0 3 321.352 1.829 20 5 DDBDHN NC[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(F)(F)F ZINC000594450987 356221848 /nfs/dbraw/zinc/22/18/48/356221848.db2.gz ANGCHWFKUNJMCV-SNVBAGLBSA-N 0 3 317.223 1.960 20 5 DDBDHN NC[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000594451062 356222027 /nfs/dbraw/zinc/22/20/27/356222027.db2.gz FTVUELDAROXFCJ-SNVBAGLBSA-N 0 3 320.271 1.403 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@]1(OCCO)CCOC1 ZINC000594973554 356366968 /nfs/dbraw/zinc/36/69/68/356366968.db2.gz GGCQJBRHBLOXLI-HNNXBMFYSA-N 0 3 310.350 1.161 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](CO)[C@H]1CCOC1 ZINC000595055150 356377546 /nfs/dbraw/zinc/37/75/46/356377546.db2.gz UCFYIRKTLJWLEM-RWMBFGLXSA-N 0 3 324.377 1.899 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000595524098 356532607 /nfs/dbraw/zinc/53/26/07/356532607.db2.gz XMKQZMOYYHEVIY-CQSZACIVSA-N 0 3 320.393 1.921 20 5 DDBDHN CN(C)CC1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000596248627 356831805 /nfs/dbraw/zinc/83/18/05/356831805.db2.gz ZVQZMZAFGCLAFP-UHFFFAOYSA-N 0 3 319.408 1.058 20 5 DDBDHN C[C@@H](CN1CCC(C)CC1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000596488504 356894658 /nfs/dbraw/zinc/89/46/58/356894658.db2.gz QLMDYJQVRONRIF-NSHDSACASA-N 0 3 321.381 1.621 20 5 DDBDHN CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000596517248 356903312 /nfs/dbraw/zinc/90/33/12/356903312.db2.gz FYLUBQKUVKETCW-HNNXBMFYSA-N 0 3 320.393 1.873 20 5 DDBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCN(C)C1 ZINC000597943988 357393047 /nfs/dbraw/zinc/39/30/47/357393047.db2.gz BMJVVPBLGFJEHV-GFCCVEGCSA-N 0 3 307.350 1.770 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000598342279 357545910 /nfs/dbraw/zinc/54/59/10/357545910.db2.gz LMTQFWSEDHHXSP-LLVKDONJSA-N 0 3 307.350 1.818 20 5 DDBDHN CCCN1CC[C@H](NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000598342230 357546023 /nfs/dbraw/zinc/54/60/23/357546023.db2.gz KVKWQOOGZHPOQW-ZDUSSCGKSA-N 0 3 321.377 1.746 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCN1CC[C@@H](O)C1 ZINC000599007192 357791011 /nfs/dbraw/zinc/79/10/11/357791011.db2.gz BXZMAWXQLYMNFF-CQSZACIVSA-N 0 3 309.366 1.150 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599102388 357815532 /nfs/dbraw/zinc/81/55/32/357815532.db2.gz FBQUFBQXGMKNDA-GHMZBOCLSA-N 0 3 313.379 1.322 20 5 DDBDHN NC(=O)[C@@H]1CCCN1CCCNCc1ccccc1[N+](=O)[O-] ZINC000598991028 357785404 /nfs/dbraw/zinc/78/54/04/357785404.db2.gz SPBBCNRTJAZUPZ-AWEZNQCLSA-N 0 3 306.366 1.024 20 5 DDBDHN CCOC(=O)C[C@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000599353591 357905713 /nfs/dbraw/zinc/90/57/13/357905713.db2.gz JQVZWORFZLATKR-YPMHNXCESA-N 0 3 310.350 1.868 20 5 DDBDHN C[C@@H](CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N(C)C ZINC000272952890 295966000 /nfs/dbraw/zinc/96/60/00/295966000.db2.gz GNPQYVYEJOCMMC-IINYFYTJSA-N 0 3 320.349 1.154 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN2C2CCCCC2)n1 ZINC000600229968 358163766 /nfs/dbraw/zinc/16/37/66/358163766.db2.gz MFWIODXSOJTAKM-GFCCVEGCSA-N 0 3 321.381 1.465 20 5 DDBDHN CN(CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCC1 ZINC000600825038 358326948 /nfs/dbraw/zinc/32/69/48/358326948.db2.gz GGBYEFFSRWIOOU-UHFFFAOYSA-N 0 3 321.381 1.439 20 5 DDBDHN CCCNC(=O)C1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602768341 359176387 /nfs/dbraw/zinc/17/63/87/359176387.db2.gz UJROKIOQNFWRQG-UHFFFAOYSA-N 0 3 323.397 1.338 20 5 DDBDHN Cn1cc(CN[C@H]2CCCC[C@H]2N2CCOCC2)c([N+](=O)[O-])n1 ZINC000602813891 359209150 /nfs/dbraw/zinc/20/91/50/359209150.db2.gz AKBASYCXCCPUAZ-UONOGXRCSA-N 0 3 323.397 1.061 20 5 DDBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCCNC1 ZINC000237663770 202322392 /nfs/dbraw/zinc/32/23/92/202322392.db2.gz DBPWTHJLBINBMB-LLVKDONJSA-N 0 3 313.379 1.242 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)CNC2 ZINC000188733685 200296892 /nfs/dbraw/zinc/29/68/92/200296892.db2.gz RPMJOGJORSXVCH-UHFFFAOYSA-N 0 3 312.329 1.831 20 5 DDBDHN CC[C@@H](CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000609878268 360360043 /nfs/dbraw/zinc/36/00/43/360360043.db2.gz UUEUBAKPXNSHEG-LBPRGKRZSA-N 0 3 306.366 1.902 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](C(F)F)C2)c1 ZINC000611180228 360652008 /nfs/dbraw/zinc/65/20/08/360652008.db2.gz VGILWVDWTVSJCA-JQWIXIFHSA-N 0 3 316.304 1.922 20 5 DDBDHN C[C@](CO)(NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000611185111 360652738 /nfs/dbraw/zinc/65/27/38/360652738.db2.gz DDXBKQCCIQGIPE-MRXNPFEDSA-N 0 3 317.345 1.254 20 5 DDBDHN CN(C)CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359070190 299319856 /nfs/dbraw/zinc/31/98/56/299319856.db2.gz YAIPCFLYAOQRNL-UHFFFAOYSA-N 0 3 303.265 1.488 20 5 DDBDHN Cc1n[nH]c(C(=O)NC2CC(N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000619451612 364018318 /nfs/dbraw/zinc/01/83/18/364018318.db2.gz XNRNYDQFPOYFON-UHFFFAOYSA-N 0 3 307.354 1.373 20 5 DDBDHN CC[C@H]1CN(C)CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000619566997 364063676 /nfs/dbraw/zinc/06/36/76/364063676.db2.gz GUILFSCCCUILBY-ZDUSSCGKSA-N 0 3 321.377 1.916 20 5 DDBDHN C[C@H]1NCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H]1C ZINC000262724530 203392769 /nfs/dbraw/zinc/39/27/69/203392769.db2.gz GSSVGOCMRBYTDN-MNOVXSKESA-N 0 3 318.377 1.992 20 5 DDBDHN CCC(CC)(CCO)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000282512757 217053695 /nfs/dbraw/zinc/05/36/95/217053695.db2.gz SDSIVESQOWTJJB-UHFFFAOYSA-N 0 3 309.366 1.725 20 5 DDBDHN Cc1cc(C(=O)N[C@H](CO)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000288403074 220135338 /nfs/dbraw/zinc/13/53/38/220135338.db2.gz GEEBCGYZTIHARJ-AWEZNQCLSA-N 0 3 321.377 1.480 20 5 DDBDHN C[C@H](NC[C@H](O)COC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000567123738 304198696 /nfs/dbraw/zinc/19/86/96/304198696.db2.gz ASLNBIVQSVQECH-RCBQFDQVSA-N 0 3 324.377 1.802 20 5 DDBDHN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000274117922 211371691 /nfs/dbraw/zinc/37/16/91/211371691.db2.gz WPBHUJDBUXUFCO-RYUDHWBXSA-N 0 3 307.350 1.572 20 5 DDBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000341058939 251360892 /nfs/dbraw/zinc/36/08/92/251360892.db2.gz LQGPPCVYYBMZBX-BETUJISGSA-N 0 3 323.397 1.561 20 5 DDBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000119856485 195050279 /nfs/dbraw/zinc/05/02/79/195050279.db2.gz LZDSXWDIFKBHCT-CHWSQXEVSA-N 0 3 312.391 1.772 20 5 DDBDHN CN(C)CCn1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000119999746 195077522 /nfs/dbraw/zinc/07/75/22/195077522.db2.gz TWJHVEYIPBPIQQ-UHFFFAOYSA-N 0 3 321.312 1.744 20 5 DDBDHN CCN1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000158224408 197255431 /nfs/dbraw/zinc/25/54/31/197255431.db2.gz NEVZBIZSDICJLY-UHFFFAOYSA-N 0 3 320.393 1.869 20 5 DDBDHN COC(=O)CC1(NCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000120415091 195161738 /nfs/dbraw/zinc/16/17/38/195161738.db2.gz RDGCDPGOHOKRIP-UHFFFAOYSA-N 0 3 308.334 1.797 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000352802449 285311396 /nfs/dbraw/zinc/31/13/96/285311396.db2.gz DVDCZMFZFCWYNN-XHDPSFHLSA-N 0 3 321.352 1.829 20 5 DDBDHN Cc1nn(C)c(C(=O)NC[C@H](C)N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000352869378 285348136 /nfs/dbraw/zinc/34/81/36/285348136.db2.gz WJXRSTUEQCBWKN-MNOVXSKESA-N 0 3 323.397 1.629 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@](C)(CO)C(C)C ZINC000352914596 285384352 /nfs/dbraw/zinc/38/43/52/285384352.db2.gz PRGYYLWGBRRHER-HNNXBMFYSA-N 0 3 309.366 1.838 20 5 DDBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000330799326 533592856 /nfs/dbraw/zinc/59/28/56/533592856.db2.gz BUCIWOFYJSZYAG-SNVBAGLBSA-N 0 3 321.381 1.374 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1CCCC[C@@H]1C ZINC000068203271 406622729 /nfs/dbraw/zinc/62/27/29/406622729.db2.gz JITQFLYFCGNLKI-NSHDSACASA-N 0 3 309.370 1.090 20 5 DDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])NCCN1CCCC1 ZINC000073418217 406889893 /nfs/dbraw/zinc/88/98/93/406889893.db2.gz JJUBPDZXCYMCBQ-UHFFFAOYSA-N 0 3 306.366 1.609 20 5 DDBDHN COCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000078508396 407031373 /nfs/dbraw/zinc/03/13/73/407031373.db2.gz IPAGBRMGJYLVKK-UHFFFAOYSA-N 0 3 309.366 1.553 20 5 DDBDHN CN1CCC(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000089421263 407133498 /nfs/dbraw/zinc/13/34/98/407133498.db2.gz TYWZFDJMFXBBRF-UHFFFAOYSA-N 0 3 303.322 1.751 20 5 DDBDHN C[C@@H]1C[C@@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000123324177 407325677 /nfs/dbraw/zinc/32/56/77/407325677.db2.gz QWGILHCXAKEIEZ-OLZOCXBDSA-N 0 3 321.377 1.915 20 5 DDBDHN CN1CCC[C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000108566547 407388368 /nfs/dbraw/zinc/38/83/68/407388368.db2.gz WZPLDULUABCJAH-ZDUSSCGKSA-N 0 3 306.366 1.736 20 5 DDBDHN C[C@H]1C[C@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN1C ZINC000127915525 407479658 /nfs/dbraw/zinc/47/96/58/407479658.db2.gz DMVIHVFDNNADGT-CMPLNLGQSA-N 0 3 306.366 1.732 20 5 DDBDHN CN(C)[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000151853224 407515092 /nfs/dbraw/zinc/51/50/92/407515092.db2.gz IAOAUJSZYOHJIC-CYBMUJFWSA-N 0 3 309.341 1.829 20 5 DDBDHN NC(=O)NC(=O)CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153276868 407792416 /nfs/dbraw/zinc/79/24/16/407792416.db2.gz QBZOEIAQIWFSBQ-UHFFFAOYSA-N 0 3 306.322 1.144 20 5 DDBDHN COc1cc(CNC[C@H]2CCCN2C)c([N+](=O)[O-])cc1OC ZINC000237277851 407808929 /nfs/dbraw/zinc/80/89/29/407808929.db2.gz CUPRTEHPFSMQJY-GFCCVEGCSA-N 0 3 309.366 1.796 20 5 DDBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180525366 407898167 /nfs/dbraw/zinc/89/81/67/407898167.db2.gz DZCPSLWURQJLGZ-SNVBAGLBSA-N 0 3 307.354 1.176 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN(C)C(C)C ZINC000118123670 407899640 /nfs/dbraw/zinc/89/96/40/407899640.db2.gz LIKNQBDRJXYMEC-UHFFFAOYSA-N 0 3 322.365 1.298 20 5 DDBDHN C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000272548232 407974484 /nfs/dbraw/zinc/97/44/84/407974484.db2.gz KLNPVQDSCIRHCM-RYUDHWBXSA-N 0 3 307.350 1.573 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](CO)C1 ZINC000182171069 408085345 /nfs/dbraw/zinc/08/53/45/408085345.db2.gz TYTJKUCFSCMHCS-QWHCGFSZSA-N 0 3 310.350 1.039 20 5 DDBDHN CCc1n[nH]c(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000263666827 408198160 /nfs/dbraw/zinc/19/81/60/408198160.db2.gz LCJKLHUCUXTDBR-GHMZBOCLSA-N 0 3 323.397 1.731 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269549196 408351494 /nfs/dbraw/zinc/35/14/94/408351494.db2.gz XJARPNMCFVNIPB-WDEREUQCSA-N 0 3 323.397 1.854 20 5 DDBDHN CC(C)N1CCC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000274433779 408403718 /nfs/dbraw/zinc/40/37/18/408403718.db2.gz GHVURZFCBMBNIY-LLVKDONJSA-N 0 3 324.356 1.919 20 5 DDBDHN Cc1ccc(NCCCNC(=O)[C@H]2CCCCN2)c([N+](=O)[O-])c1 ZINC000160482701 408487392 /nfs/dbraw/zinc/48/73/92/408487392.db2.gz OOUPLWHAXIXYPT-CQSZACIVSA-N 0 3 320.393 1.964 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CCCC3)C2)n1 ZINC000191797460 408493297 /nfs/dbraw/zinc/49/32/97/408493297.db2.gz LVQCQUQTXGXUMR-NSHDSACASA-N 0 3 307.354 1.122 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000177052907 408508303 /nfs/dbraw/zinc/50/83/03/408508303.db2.gz MAQJNIZZMIJFJP-DGCLKSJQSA-N 0 3 303.362 1.879 20 5 DDBDHN CO[C@@H](C)[C@H](C)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000191715175 408475368 /nfs/dbraw/zinc/47/53/68/408475368.db2.gz DUVLAODOPVRKNJ-COPLHBTASA-N 0 3 307.350 1.713 20 5 DDBDHN COc1cc(CNCC2(CO)CCC2)c([N+](=O)[O-])cc1OC ZINC000184373993 408601366 /nfs/dbraw/zinc/60/13/66/408601366.db2.gz GOIIXVQMVXOQOX-UHFFFAOYSA-N 0 3 310.350 1.864 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177205431 408552994 /nfs/dbraw/zinc/55/29/94/408552994.db2.gz YFHHWYWDYAIPOT-GHMZBOCLSA-N 0 3 319.361 1.958 20 5 DDBDHN Cc1nn(CCC(=O)NCC2(N(C)C)CCC2)c(C)c1[N+](=O)[O-] ZINC000275706495 408654880 /nfs/dbraw/zinc/65/48/80/408654880.db2.gz CDMJOLSGDHNWKX-UHFFFAOYSA-N 0 3 323.397 1.399 20 5 DDBDHN NC(=O)[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184842479 408701517 /nfs/dbraw/zinc/70/15/17/408701517.db2.gz XNRNVBAXEMRIKI-QWRGUYRKSA-N 0 3 320.349 1.167 20 5 DDBDHN CCN1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000185166041 408772942 /nfs/dbraw/zinc/77/29/42/408772942.db2.gz KEKVVFRLYNGMML-UHFFFAOYSA-N 0 3 324.356 1.700 20 5 DDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000189460033 163101956 /nfs/dbraw/zinc/10/19/56/163101956.db2.gz ZXSDTJMDVLHYGU-LLVKDONJSA-N 0 3 313.423 1.933 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN[C@]2(CO)CCCc3ccccc32)c1 ZINC000281731982 408919976 /nfs/dbraw/zinc/91/99/76/408919976.db2.gz PVOODNGOKMTOIR-INIZCTEOSA-N 0 3 316.361 1.605 20 5 DDBDHN C[C@@H](CN(C)C)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000286419743 408982016 /nfs/dbraw/zinc/98/20/16/408982016.db2.gz MXVIGPLTOPKJGL-JTQLQIEISA-N 0 3 306.366 1.849 20 5 DDBDHN COC[C@H](NCCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000279091239 409147913 /nfs/dbraw/zinc/14/79/13/409147913.db2.gz PIGBTSGQRFHKNK-GJZGRUSLSA-N 0 3 310.350 1.757 20 5 DDBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H](CO)[C@@H]1CCOC1 ZINC000280262660 409280676 /nfs/dbraw/zinc/28/06/76/409280676.db2.gz JYDXLIMJKBUPFG-PWSUYJOCSA-N 0 3 314.769 1.983 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN(C[C@H](C)O)C[C@H]1C ZINC000284269185 409307809 /nfs/dbraw/zinc/30/78/09/409307809.db2.gz GUUBLVWFPPMXQL-KGLIPLIRSA-N 0 3 307.394 1.790 20 5 DDBDHN COc1ccc(CN[C@@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000295134031 409336872 /nfs/dbraw/zinc/33/68/72/409336872.db2.gz OXOHKEVZNGZZSU-CQSZACIVSA-N 0 3 323.393 1.540 20 5 DDBDHN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CCN(C2CC2)C1 ZINC000295255411 409399548 /nfs/dbraw/zinc/39/95/48/409399548.db2.gz FNNBPGDCEZCLCJ-NSHDSACASA-N 0 3 318.377 1.733 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000317055390 164025506 /nfs/dbraw/zinc/02/55/06/164025506.db2.gz HPAACSPRULOOBT-LLVKDONJSA-N 0 3 306.366 1.851 20 5 DDBDHN CNc1c(C(=O)N2CCC[C@@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000317388606 164026786 /nfs/dbraw/zinc/02/67/86/164026786.db2.gz FOJCNLVHAMJIQT-LLVKDONJSA-N 0 3 306.366 1.803 20 5 DDBDHN CN(C)CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000192808324 306726037 /nfs/dbraw/zinc/72/60/37/306726037.db2.gz XXJBVHQXIVUSOE-UHFFFAOYSA-N 0 3 303.322 1.072 20 5 DDBDHN CCNC(=O)[C@H](NCCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC000339323479 410094191 /nfs/dbraw/zinc/09/41/91/410094191.db2.gz LDAMVHDTRFXIFX-CQSZACIVSA-N 0 3 309.366 1.724 20 5 DDBDHN CN(C)CC[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000352111828 410486944 /nfs/dbraw/zinc/48/69/44/410486944.db2.gz NNVVEFMPXRPIBS-LBPRGKRZSA-N 0 3 301.368 1.089 20 5 DDBDHN CN(CCNC(=O)c1ccc([N+](=O)[O-])n1C)Cc1ccccc1 ZINC000347406526 410527864 /nfs/dbraw/zinc/52/78/64/410527864.db2.gz JIVHYPKQILZKDV-UHFFFAOYSA-N 0 3 316.361 1.795 20 5 DDBDHN COC1CC(N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000352209575 410548280 /nfs/dbraw/zinc/54/82/80/410548280.db2.gz CARKFRSAMJYRSB-OTTFEQOBSA-N 0 3 310.350 1.444 20 5 DDBDHN C[C@@H]1[C@H](C)N(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000343719440 410647213 /nfs/dbraw/zinc/64/72/13/410647213.db2.gz CZLLPQJUQRXBKB-RDBSUJKOSA-N 0 3 323.393 1.359 20 5 DDBDHN CS[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000330500415 410731037 /nfs/dbraw/zinc/73/10/37/410731037.db2.gz OSJDYFNCPLIRIM-KGLIPLIRSA-N 0 3 323.418 1.641 20 5 DDBDHN COc1cc(CN2CCN(C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000337375109 410744916 /nfs/dbraw/zinc/74/49/16/410744916.db2.gz ZVPPBUKJRAWFPF-OLZOCXBDSA-N 0 3 323.393 1.490 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000347936530 410801270 /nfs/dbraw/zinc/80/12/70/410801270.db2.gz CUWZULOLKDWPIQ-GFCCVEGCSA-N 0 3 309.370 1.089 20 5 DDBDHN CC(C)[C@@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)N(C)C ZINC000348195207 410850504 /nfs/dbraw/zinc/85/05/04/410850504.db2.gz LJOHLCBDJUVMDP-HNNXBMFYSA-N 0 3 321.377 1.771 20 5 DDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)N1CCCC[C@@H]1C ZINC000356149519 410864015 /nfs/dbraw/zinc/86/40/15/410864015.db2.gz HCCQAEIFKJKYQX-QWRGUYRKSA-N 0 3 309.370 1.321 20 5 DDBDHN CNc1c(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000360954385 418553197 /nfs/dbraw/zinc/55/31/97/418553197.db2.gz MMZGEIXVVCUSKK-MNOVXSKESA-N 0 3 318.377 1.992 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnn1CCN(C)C ZINC000293916410 418581029 /nfs/dbraw/zinc/58/10/29/418581029.db2.gz ARLMUTUJNOJIBI-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000291035609 222089062 /nfs/dbraw/zinc/08/90/62/222089062.db2.gz ZHDAHUICKLLSCK-SECBINFHSA-N 0 3 305.338 1.151 20 5 DDBDHN C[C@@H]1CCOCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000374992226 418585221 /nfs/dbraw/zinc/58/52/21/418585221.db2.gz WLEHDDKDNVWDMB-TZMCWYRMSA-N 0 3 310.350 1.445 20 5 DDBDHN Cc1c(NC(=O)CCN2C[C@H]3[C@H](CO)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000367840266 418644844 /nfs/dbraw/zinc/64/48/44/418644844.db2.gz PVIMJAQEIRQQGS-ITGUQSILSA-N 0 3 319.361 1.402 20 5 DDBDHN CN1CC[C@@](O)(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000358056815 418653240 /nfs/dbraw/zinc/65/32/40/418653240.db2.gz BQPBHOINOVFAMS-CYBMUJFWSA-N 0 3 313.741 1.045 20 5 DDBDHN C[C@H]1CCN[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000422939802 227270915 /nfs/dbraw/zinc/27/09/15/227270915.db2.gz RVDKKUXTYYBYPX-SMDDNHRTSA-N 0 3 306.366 1.511 20 5 DDBDHN Cn1ccnc1[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000365651416 418888749 /nfs/dbraw/zinc/88/87/49/418888749.db2.gz VYDNMSQSNIDZPW-GFCCVEGCSA-N 0 3 304.354 1.404 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000365668953 418892580 /nfs/dbraw/zinc/89/25/80/418892580.db2.gz FRJSIHHGNJGEEN-CHWSQXEVSA-N 0 3 319.361 1.496 20 5 DDBDHN O=[N+]([O-])c1ccn(C2CCN(CCO[C@H]3CCCCO3)CC2)n1 ZINC000365866542 418917363 /nfs/dbraw/zinc/91/73/63/418917363.db2.gz CAOUAOJSMYBBSA-HNNXBMFYSA-N 0 3 324.381 1.971 20 5 DDBDHN C[C@@H]1C[C@H](CO)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000420948117 419377864 /nfs/dbraw/zinc/37/78/64/419377864.db2.gz VJWNIIKPZQWSPE-IPYPFGDCSA-N 0 3 324.377 1.285 20 5 DDBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1CCCN1C ZINC000420991712 419430182 /nfs/dbraw/zinc/43/01/82/419430182.db2.gz ALMKDELMWJXZSQ-GFCCVEGCSA-N 0 3 303.366 1.997 20 5 DDBDHN COc1cc(C[NH2+]C2CCN(OC)CC2)c([N+](=O)[O-])cc1[O-] ZINC000421391201 419594431 /nfs/dbraw/zinc/59/44/31/419594431.db2.gz AAKMQNHENAFJBB-UHFFFAOYSA-N 0 3 311.338 1.424 20 5 DDBDHN Cc1cc(OCC(=O)N(C)C[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000421711529 419698510 /nfs/dbraw/zinc/69/85/10/419698510.db2.gz OOGHTXGXFTZLEY-CYBMUJFWSA-N 0 3 321.377 1.835 20 5 DDBDHN O=[N+]([O-])c1ccc(CNCC2(N3CCOCC3)CC2)c(F)c1 ZINC000434789533 229332704 /nfs/dbraw/zinc/33/27/04/229332704.db2.gz YJYSKCVVTSNIMH-UHFFFAOYSA-N 0 3 309.341 1.688 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)CC[NH3+])c1C ZINC000422551935 419958911 /nfs/dbraw/zinc/95/89/11/419958911.db2.gz GDBXLCIMBBVVSV-UHFFFAOYSA-N 0 3 315.395 1.617 20 5 DDBDHN C[C@@H]1CC[C@@H](N(CCO)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000429794230 420049395 /nfs/dbraw/zinc/04/93/95/420049395.db2.gz WTQKGLWUFBGJIV-BXUZGUMPSA-N 0 3 321.377 1.677 20 5 DDBDHN CN(C)C1(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000416309685 420323319 /nfs/dbraw/zinc/32/33/19/420323319.db2.gz BUPHAGYTKTYTKQ-UONOGXRCSA-N 0 3 303.362 1.909 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-]C2(C)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000420444268 420291738 /nfs/dbraw/zinc/29/17/38/420291738.db2.gz BZIOXIGUSLDWMX-UHFFFAOYSA-N 0 3 313.379 1.324 20 5 DDBDHN CC(C)c1ccc(C(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423994909 420298840 /nfs/dbraw/zinc/29/88/40/420298840.db2.gz IVFWNNZGXXKKHH-LBPRGKRZSA-N 0 3 307.350 1.436 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CCN(C)C1 ZINC000416498111 420395317 /nfs/dbraw/zinc/39/53/17/420395317.db2.gz WLEZEPWPBOQXRX-LLVKDONJSA-N 0 3 313.379 1.133 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@@H]21 ZINC000453026065 420704501 /nfs/dbraw/zinc/70/45/01/420704501.db2.gz FJMMGNAWSFQIOB-PELKAZGASA-N 0 3 308.313 1.092 20 5 DDBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000479532345 420980225 /nfs/dbraw/zinc/98/02/25/420980225.db2.gz NHBPIMQDGNFRNL-LLVKDONJSA-N 0 3 308.382 1.736 20 5 DDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000456167615 421111717 /nfs/dbraw/zinc/11/17/17/421111717.db2.gz NHDIOSKPWYIHHD-WCQYABFASA-N 0 3 319.361 1.770 20 5 DDBDHN Cn1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000517922812 421633333 /nfs/dbraw/zinc/63/33/33/421633333.db2.gz TWRANUFVLBILPK-CQSZACIVSA-N 0 3 305.334 1.463 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000518313423 421647003 /nfs/dbraw/zinc/64/70/03/421647003.db2.gz AVAQGOUMYAXZHL-ZDUSSCGKSA-N 0 3 322.365 1.367 20 5 DDBDHN Cc1c(NC(=O)N2CCN(C)C[C@@H]2CN)cccc1[N+](=O)[O-] ZINC000519812473 421729670 /nfs/dbraw/zinc/72/96/70/421729670.db2.gz WITRAABETRWRNH-NSHDSACASA-N 0 3 307.354 1.010 20 5 DDBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000520366852 421747280 /nfs/dbraw/zinc/74/72/80/421747280.db2.gz IUZCQOXOYSTCJD-RYUDHWBXSA-N 0 3 308.382 1.784 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343451718 271776859 /nfs/dbraw/zinc/77/68/59/271776859.db2.gz OLEBVOQRUXOEFW-CHWSQXEVSA-N 0 3 321.377 1.963 20 5 DDBDHN Cc1c(CC(=O)NCCOCCN(C)C)cccc1[N+](=O)[O-] ZINC000345941560 272371017 /nfs/dbraw/zinc/37/10/17/272371017.db2.gz VQOXNNMMLYQVDA-UHFFFAOYSA-N 0 3 309.366 1.140 20 5 DDBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H](C)C1 ZINC000346244108 272440988 /nfs/dbraw/zinc/44/09/88/272440988.db2.gz UNJPEFOYRLLDEA-SDDRHHMPSA-N 0 3 321.381 1.131 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000269549189 276040384 /nfs/dbraw/zinc/04/03/84/276040384.db2.gz XJARPNMCFVNIPB-MNOVXSKESA-N 0 3 323.397 1.854 20 5 DDBDHN C[C@H](CN1CCOCC1)N(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000279763104 279316837 /nfs/dbraw/zinc/31/68/37/279316837.db2.gz RSTWUHWVSBAOHP-CQSZACIVSA-N 0 3 307.394 1.790 20 5 DDBDHN CN(C)CCN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000353934939 298319275 /nfs/dbraw/zinc/31/92/75/298319275.db2.gz RYAILHOHBAMZFY-UHFFFAOYSA-N 0 3 307.310 1.115 20 5 DDBDHN O=[N+]([O-])c1c[nH]c(-c2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)c1 ZINC000357932437 299024182 /nfs/dbraw/zinc/02/41/82/299024182.db2.gz IIAGGMPYICEATD-AOOOYVTPSA-N 0 3 316.321 1.828 20 5 DDBDHN COCCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CC[C@@H](C)C1 ZINC000362153848 300017817 /nfs/dbraw/zinc/01/78/17/300017817.db2.gz GIWMKFKJKPWSKO-ZIAGYGMSSA-N 0 3 323.393 1.894 20 5 DDBDHN COCCO[C@@H]1COCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000362530025 300087543 /nfs/dbraw/zinc/08/75/43/300087543.db2.gz UZXZRUVGODPHLU-HUUCEWRRSA-N 0 3 310.350 1.505 20 5 DDBDHN CC[C@H](C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N(C)C ZINC000368411467 301021669 /nfs/dbraw/zinc/02/16/69/301021669.db2.gz IAEKNOBUSRWOBN-DGCLKSJQSA-N 0 3 309.370 1.295 20 5 DDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)N1CCC(C)CC1 ZINC000520868749 302868206 /nfs/dbraw/zinc/86/82/06/302868206.db2.gz UZVBJEQVAJKOKG-GFCCVEGCSA-N 0 3 308.382 1.784 20 5 DDBDHN Cc1cc(N2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000368532644 307104408 /nfs/dbraw/zinc/10/44/08/307104408.db2.gz JTZYGJSRWYPFPJ-HOTGVXAUSA-N 0 3 305.378 1.939 20 5 DDBDHN O=C1OCC[C@@H]1CCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369004145 307114251 /nfs/dbraw/zinc/11/42/51/307114251.db2.gz YNPZAOVNUMJLEU-RYUDHWBXSA-N 0 3 308.338 1.381 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC([C@H]2CCOC2)C1 ZINC000373633731 307193267 /nfs/dbraw/zinc/19/32/67/307193267.db2.gz BWLFPKJQOWIUND-GXTWGEPZSA-N 0 3 322.361 1.303 20 5 DDBDHN COC(=O)[C@]12CCC[C@@H]1CN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC000374695378 307211787 /nfs/dbraw/zinc/21/17/87/307211787.db2.gz FNIMJXROSTXSGG-RISCZKNCSA-N 0 3 308.338 1.066 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000376663592 307252380 /nfs/dbraw/zinc/25/23/80/307252380.db2.gz LJGVZJBHDXMSEJ-CMPLNLGQSA-N 0 3 320.349 1.170 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000376663592 307252381 /nfs/dbraw/zinc/25/23/81/307252381.db2.gz LJGVZJBHDXMSEJ-CMPLNLGQSA-N 0 3 320.349 1.170 20 5 DDBDHN CC(COC(=O)CN(C)C(=O)OCc1ccccc1)[N+](=O)[O-] ZINC000495610821 307311682 /nfs/dbraw/zinc/31/16/82/307311682.db2.gz JMCIGSGGNGHVBD-LLVKDONJSA-N 0 3 310.306 1.463 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCC1=CCCOC1 ZINC000570836159 308181931 /nfs/dbraw/zinc/18/19/31/308181931.db2.gz BWIJSXYFWSNWHN-ZDUSSCGKSA-N 0 3 308.334 1.271 20 5 DDBDHN CN(C)[C@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000577387677 308384890 /nfs/dbraw/zinc/38/48/90/308384890.db2.gz PUCJITVWAKVBTD-KBPBESRZSA-N 0 3 321.377 1.006 20 5 DDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H](N2CCCCC2)C1 ZINC000365211391 325733180 /nfs/dbraw/zinc/73/31/80/325733180.db2.gz OQSQMYXGHBLGRZ-ZDUSSCGKSA-N 0 3 321.381 1.268 20 5 DDBDHN C[C@@H]1CN(CCCCNc2c([N+](=O)[O-])ncn2C)C[C@H](C)O1 ZINC000443951542 534463194 /nfs/dbraw/zinc/46/31/94/534463194.db2.gz KETYGTSUHUEGKC-TXEJJXNPSA-N 0 3 311.386 1.630 20 5 DDBDHN CN(c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000736859243 599120075 /nfs/dbraw/zinc/12/00/75/599120075.db2.gz XVELZNCXMDJXKQ-NSHDSACASA-N 0 3 317.353 1.305 20 5 DDBDHN Cc1ncccc1CN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000981136885 697015320 /nfs/dbraw/zinc/01/53/20/697015320.db2.gz KGKZKWXBGLAUAB-HUUCEWRRSA-N 0 3 318.377 1.090 20 5 DDBDHN Cc1c(C(=O)NCCN2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193666489 697676398 /nfs/dbraw/zinc/67/63/98/697676398.db2.gz ASWKAQXWPNWOGG-UHFFFAOYSA-N 0 3 322.321 1.637 20 5 DDBDHN COC(=O)[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000787326590 699206075 /nfs/dbraw/zinc/20/60/75/699206075.db2.gz IMCGWWXDCBCSOX-HONMWMINSA-N 0 3 308.334 1.512 20 5 DDBDHN Cc1nn(C)c(NC2CCN(C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000725787766 699333963 /nfs/dbraw/zinc/33/39/63/699333963.db2.gz MMBGPQPFXXMTIN-ZDUSSCGKSA-N 0 3 323.397 1.692 20 5 DDBDHN Cc1c(NNC(=S)NC2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000727982274 699434344 /nfs/dbraw/zinc/43/43/44/699434344.db2.gz YYQYNMCZAWUWBI-UHFFFAOYSA-N 0 3 323.422 1.788 20 5 DDBDHN COc1c(C(=O)NCCN2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000795270998 699855059 /nfs/dbraw/zinc/85/50/59/699855059.db2.gz PNFDDHCXADJCES-LLVKDONJSA-N 0 3 307.350 1.818 20 5 DDBDHN CCCc1[n-]nc(C(=O)OCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000796268613 699922618 /nfs/dbraw/zinc/92/26/18/699922618.db2.gz UQQBRBQKVPJMNI-UHFFFAOYSA-N 0 3 310.354 1.913 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCC[C@@H]1C ZINC000756519255 700625188 /nfs/dbraw/zinc/62/51/88/700625188.db2.gz HVNLLUPRCPSXLW-NSHDSACASA-N 0 3 307.350 1.818 20 5 DDBDHN CC[C@H]1CN(C)CCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000840093264 701965475 /nfs/dbraw/zinc/96/54/75/701965475.db2.gz IZTDFTPIHRKOCW-NSHDSACASA-N 0 3 320.349 1.486 20 5 DDBDHN CN1CCN(C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000866214456 706651452 /nfs/dbraw/zinc/65/14/52/706651452.db2.gz OLSIZQPNEYNIDI-UHFFFAOYSA-N 0 3 304.394 1.811 20 5 DDBDHN CC(COC(=O)CN1c2ccccc2O[C@@H](C)C1=O)[N+](=O)[O-] ZINC000813113623 702298443 /nfs/dbraw/zinc/29/84/43/702298443.db2.gz HEFBROYRXDZWRH-UWVGGRQHSA-N 0 3 308.290 1.009 20 5 DDBDHN O=C(NC[C@H]1CNCCO1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233401 702396979 /nfs/dbraw/zinc/39/69/79/702396979.db2.gz SPYNZVVNGBTTPR-MRVPVSSYSA-N 0 3 314.729 1.358 20 5 DDBDHN CO[C@H]1CC[C@@H](N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000851716917 703835772 /nfs/dbraw/zinc/83/57/72/703835772.db2.gz OGOPZLSYAFUAGV-OCCSQVGLSA-N 0 3 306.366 1.679 20 5 DDBDHN Cc1nc([C@H]2CCOC2)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000870376343 704014792 /nfs/dbraw/zinc/01/47/92/704014792.db2.gz GUJPYCGKYYPURF-APPZFPTMSA-N 0 3 300.336 1.777 20 5 DDBDHN COc1ccc(CNC[C@H](O)c2ccccn2)cc1[N+](=O)[O-] ZINC000853062238 704190906 /nfs/dbraw/zinc/19/09/06/704190906.db2.gz ODQQCXFNPDOKNM-AWEZNQCLSA-N 0 3 303.318 1.822 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000820272083 704250594 /nfs/dbraw/zinc/25/05/94/704250594.db2.gz JGIOFBOYOXQOLY-HNKHHVNMSA-N 0 3 315.373 1.861 20 5 DDBDHN CC([C@H](OC(=O)[C@@H]1COC(=O)N1)c1ccccc1F)[N+](=O)[O-] ZINC000860854674 705301471 /nfs/dbraw/zinc/30/14/71/705301471.db2.gz GAYPFJLYRDRTAF-GGVZMXCHSA-N 0 3 312.253 1.184 20 5 DDBDHN COC(=O)[C@@H]1OCC[C@@H]1CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000877727574 706191513 /nfs/dbraw/zinc/19/15/13/706191513.db2.gz ZULXIUQAMZJOCS-BXUZGUMPSA-N 0 3 324.333 1.271 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(c2cn[nH]c2)CC1 ZINC000878027531 706267970 /nfs/dbraw/zinc/26/79/70/706267970.db2.gz IBJAFOAGKOOBIY-UHFFFAOYSA-N 0 3 304.354 1.702 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CC23CCC3)cc1 ZINC000872252059 707350107 /nfs/dbraw/zinc/35/01/07/707350107.db2.gz RBGXFYGHWQKYKF-ZDUSSCGKSA-N 0 3 310.375 1.901 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)cnc1N1C[C@@H]2CCCN2C[C@@H]1CO ZINC000872757400 707586764 /nfs/dbraw/zinc/58/67/64/707586764.db2.gz BCNCIRJOIGEMCE-WDEREUQCSA-N 0 3 312.757 1.289 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H](O)c1cnn(C)c1 ZINC000873061304 707713854 /nfs/dbraw/zinc/71/38/54/707713854.db2.gz RJGVWCHKYBGZQT-HNNXBMFYSA-N 0 3 304.350 1.768 20 5 DDBDHN CN(CCO)CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000884824770 708388282 /nfs/dbraw/zinc/38/82/82/708388282.db2.gz MZPMTSMUDGRHEK-UHFFFAOYSA-N 0 3 319.159 1.088 20 5 DDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCC2)C1 ZINC000912922140 713125251 /nfs/dbraw/zinc/12/52/51/713125251.db2.gz OFVPZCHQFRDFMJ-ZDUSSCGKSA-N 0 3 318.377 1.703 20 5 DDBDHN CN1C[C@H]2CCN(c3c([N+](=O)[O-])c(C(F)(F)F)nn3C)[C@H]2C1 ZINC000893936009 710892102 /nfs/dbraw/zinc/89/21/02/710892102.db2.gz TYNZPZWGTDGQJQ-SFYZADRCSA-N 0 3 319.287 1.487 20 5 DDBDHN C[C@H]1[C@@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CCN1C ZINC000895735269 711590455 /nfs/dbraw/zinc/59/04/55/711590455.db2.gz CBRDJOPBCDHFMI-BQBZGAKWSA-N 0 3 307.276 1.852 20 5 DDBDHN CN(C)c1ccnc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000905526212 712065422 /nfs/dbraw/zinc/06/54/22/712065422.db2.gz UQWYWQSHSRCKLT-MRXNPFEDSA-N 0 3 316.361 1.879 20 5 DDBDHN COc1ccc(C(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)cc1[N+](=O)[O-] ZINC000923312296 714307431 /nfs/dbraw/zinc/30/74/31/714307431.db2.gz DJVZJGAIECRGOF-OLZOCXBDSA-N 0 3 319.361 1.912 20 5 DDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(CCc3ccccn3)CC2)C1 ZINC001169027419 762183300 /nfs/dbraw/zinc/18/33/00/762183300.db2.gz PKSRSXRYQWTLNO-NVXWUHKLSA-N 0 3 318.421 1.687 20 5 DDBDHN COc1cccc(N2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169039542 762193541 /nfs/dbraw/zinc/19/35/41/762193541.db2.gz QXUVXHPGIQXBHM-ZIAGYGMSSA-N 0 3 320.393 1.658 20 5 DDBDHN NCc1cnnn1-c1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001169310497 762357936 /nfs/dbraw/zinc/35/79/36/762357936.db2.gz YPXZJKHALNXBEU-UHFFFAOYSA-N 0 3 313.277 1.217 20 5 DDBDHN CS(=O)(=O)C1CC(NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001119942657 758138640 /nfs/dbraw/zinc/13/86/40/758138640.db2.gz DDAMMWVPGDYTLZ-UHFFFAOYSA-N 0 3 314.363 1.139 20 5 DDBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccon1 ZINC001020008762 760420046 /nfs/dbraw/zinc/42/00/46/760420046.db2.gz DEQNDTVKNDAOHK-HAQNSBGRSA-N 0 3 316.317 1.633 20 5 DDBDHN COc1ccc(C[C@H](C)NCCS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC001170298946 766227535 /nfs/dbraw/zinc/22/75/35/766227535.db2.gz OOHFDKHDBYKVNS-JTQLQIEISA-N 0 3 316.379 1.169 20 5 DDBDHN Cc1nc(C)c(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001133988225 770528053 /nfs/dbraw/zinc/52/80/53/770528053.db2.gz AFWYIZOTMILGPL-UHFFFAOYSA-N 0 3 317.349 1.454 20 5 DDBDHN CCCN(C)CC(=O)NCCCNc1ncc([N+](=O)[O-])cc1C ZINC001094517123 775973209 /nfs/dbraw/zinc/97/32/09/775973209.db2.gz DUFRUZMNRWDNCM-UHFFFAOYSA-N 0 3 323.397 1.558 20 5 DDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](CN(C)C)C1 ZINC001173221209 777053459 /nfs/dbraw/zinc/05/34/59/777053459.db2.gz GIQLIJCMEUEEAR-CZUORRHYSA-N 0 3 307.394 1.788 20 5 DDBDHN O=[N+]([O-])c1cnn(CCNCc2ccnn2-c2ccncc2)c1 ZINC001178064320 778846489 /nfs/dbraw/zinc/84/64/89/778846489.db2.gz CNFKZYDYXYIPEH-UHFFFAOYSA-N 0 3 313.321 1.162 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCOC3(CNC3)C2)c1C ZINC001119299408 781398601 /nfs/dbraw/zinc/39/86/01/781398601.db2.gz MRVRLWHBELMNDT-UHFFFAOYSA-N 0 3 305.334 1.026 20 5 DDBDHN Nc1cc(N2CCN(CC3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC001337869077 869664650 /nfs/dbraw/zinc/66/46/50/869664650.db2.gz NTOOOWXDWPZMRV-UHFFFAOYSA-N 0 3 321.381 1.121 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@@H](c3ncccn3)C2)cc1 ZINC001308111073 871470896 /nfs/dbraw/zinc/47/08/96/871470896.db2.gz BMDWUSCEEIVSQE-UKRRQHHQSA-N 0 3 314.345 1.908 20 5 DDBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](O)COC1CCOCC1 ZINC001356534106 879091378 /nfs/dbraw/zinc/09/13/78/879091378.db2.gz WJGXEFYZFUGXML-CYBMUJFWSA-N 0 3 310.350 1.241 20 5 DDBDHN O=C1CCNC[C@H]1N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246297300 892522517 /nfs/dbraw/zinc/52/25/17/892522517.db2.gz YZHHXQSTXOOHKA-UKRRQHHQSA-N 0 3 303.362 1.363 20 5 DDBDHN CC[C@](N)(CO)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469386 896456722 /nfs/dbraw/zinc/45/67/22/896456722.db2.gz LTHVKZOGYBALLJ-OAHLLOKOSA-N 0 3 308.382 1.211 20 5 DDBDHN CN(C)C[C@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254593159 896520817 /nfs/dbraw/zinc/52/08/17/896520817.db2.gz JOYLAIHKOCGSSM-CVEARBPZSA-N 0 3 305.378 1.324 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261930466 899833507 /nfs/dbraw/zinc/83/35/07/899833507.db2.gz FOGSMMGTFHWSNE-CQSZACIVSA-N 0 3 304.350 1.714 20 5 DDBDHN CC[C@@H]1CN(CC)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000451741336 529388634 /nfs/dbraw/zinc/38/86/34/529388634.db2.gz OFSZVRMVGBKRGG-CYBMUJFWSA-N 0 3 308.382 1.173 20 5 DDBDHN COC[C@H](C)OC[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000278215831 214027473 /nfs/dbraw/zinc/02/74/73/214027473.db2.gz DMUSHDAZGROOJD-HUBLWGQQSA-N 0 3 312.366 1.658 20 5 DDBDHN CC1(C)CN(C/C=C\c2ccccc2[N+](=O)[O-])CCN1CCO ZINC000615140538 362170182 /nfs/dbraw/zinc/17/01/82/362170182.db2.gz VUUORYIRWNUDOA-ALCCZGGFSA-N 0 3 319.405 1.997 20 5 DDBDHN Cc1ccc(CN2CCN(CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000615140433 362170319 /nfs/dbraw/zinc/17/03/19/362170319.db2.gz JXVUGBFZUWARTD-UHFFFAOYSA-N 0 3 307.394 1.792 20 5 DDBDHN CN(C)C[C@@](C)(O)CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255492422 282259882 /nfs/dbraw/zinc/25/98/82/282259882.db2.gz WCBCRDSLQQTCLR-LZNQSLFOSA-N 0 3 307.350 1.037 20 5 DDBDHN Cc1nn(CCC(=O)N(C)CCN2CCCC2)c(C)c1[N+](=O)[O-] ZINC000103116569 185432923 /nfs/dbraw/zinc/43/29/23/185432923.db2.gz VJTGRJVRYOQLMB-UHFFFAOYSA-N 0 3 323.397 1.352 20 5 DDBDHN COc1cc(CNCCN2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000279621659 215012470 /nfs/dbraw/zinc/01/24/70/215012470.db2.gz AWEZEBZBFZDKJR-UHFFFAOYSA-N 0 3 321.377 1.964 20 5 DDBDHN C[C@@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000173035840 198179701 /nfs/dbraw/zinc/17/97/01/198179701.db2.gz DCMLURFGFIHLTE-LBPRGKRZSA-N 0 3 320.393 1.630 20 5 DDBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000057553460 352820479 /nfs/dbraw/zinc/82/04/79/352820479.db2.gz BAWATORFZUOABX-LLVKDONJSA-N 0 3 305.334 1.327 20 5 DDBDHN C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000057713379 352826191 /nfs/dbraw/zinc/82/61/91/352826191.db2.gz UXFKKSOWYPLXEK-LBPRGKRZSA-N 0 3 320.393 1.996 20 5 DDBDHN CCN1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000063680581 352919075 /nfs/dbraw/zinc/91/90/75/352919075.db2.gz ZUZGDRPKYMFIOE-UHFFFAOYSA-N 0 3 310.329 1.530 20 5 DDBDHN C[C@@H](NCCOCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000173444192 198216008 /nfs/dbraw/zinc/21/60/08/198216008.db2.gz VABBPLKZTDUUJO-LLVKDONJSA-N 0 3 316.379 1.307 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCN(C)C)C1CCCC1 ZINC000068467972 353113538 /nfs/dbraw/zinc/11/35/38/353113538.db2.gz OLLRHFQKBNCBLT-UHFFFAOYSA-N 0 3 323.397 1.433 20 5 DDBDHN COc1ccc(CC(=O)N[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000069397355 353160181 /nfs/dbraw/zinc/16/01/81/353160181.db2.gz XHXSNAHXZAJCCI-LBPRGKRZSA-N 0 3 319.361 1.499 20 5 DDBDHN COc1ccc(CNCC(C)(C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000106465829 353939315 /nfs/dbraw/zinc/93/93/15/353939315.db2.gz IFWXPLXNXRABJJ-UHFFFAOYSA-N 0 3 323.393 1.804 20 5 DDBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1COC[C@@H]1O ZINC000601292054 358481329 /nfs/dbraw/zinc/48/13/29/358481329.db2.gz QHEBJQCMLXXVOP-LOWVWBTDSA-N 0 3 312.391 1.815 20 5 DDBDHN CCN(C)C[C@@H](O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000320555841 354528005 /nfs/dbraw/zinc/52/80/05/354528005.db2.gz KMCGRARFCWNMID-LLVKDONJSA-N 0 3 305.334 1.834 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@]1(C)CCO[C@H]1C ZINC000494226100 235008820 /nfs/dbraw/zinc/00/88/20/235008820.db2.gz FOVWWFZEIGOMDJ-XHDPSFHLSA-N 0 3 307.350 1.999 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000590047003 355043294 /nfs/dbraw/zinc/04/32/94/355043294.db2.gz SCONKIOSKQMRRM-ZFWWWQNUSA-N 0 3 303.362 1.690 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CCc3nc[nH]c3C2)c1[N+](=O)[O-] ZINC000590378157 355079112 /nfs/dbraw/zinc/07/91/12/355079112.db2.gz GNXXSYUEJZGUKU-UHFFFAOYSA-N 0 3 304.310 1.363 20 5 DDBDHN NC(=O)CC1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000591503855 355322044 /nfs/dbraw/zinc/32/20/44/355322044.db2.gz WRFYFRXQDDRJFM-UHFFFAOYSA-N 0 3 321.333 1.111 20 5 DDBDHN Cc1cnccc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591761408 355379589 /nfs/dbraw/zinc/37/95/89/355379589.db2.gz ICZQAEYUUWQZDL-OAHLLOKOSA-N 0 3 317.345 1.828 20 5 DDBDHN CC1(C)CNCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000591678341 355359890 /nfs/dbraw/zinc/35/98/90/355359890.db2.gz PHKNQBMIQIPHRU-UHFFFAOYSA-N 0 3 303.322 1.295 20 5 DDBDHN CN1CCC[C@@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593454271 355889398 /nfs/dbraw/zinc/88/93/98/355889398.db2.gz HCVOQSPUFQHIRA-NSHDSACASA-N 0 3 309.341 1.734 20 5 DDBDHN O=[N+]([O-])c1ccc2ccnc(N3CCN4C[C@H](O)C[C@H]4C3)c2c1 ZINC000594603877 356262736 /nfs/dbraw/zinc/26/27/36/356262736.db2.gz OJBQRGQCELYUBO-UONOGXRCSA-N 0 3 314.345 1.398 20 5 DDBDHN Cc1cc(C)cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000594716747 356294530 /nfs/dbraw/zinc/29/45/30/356294530.db2.gz VEEPBMGMXILNGO-OAHLLOKOSA-N 0 3 304.350 1.559 20 5 DDBDHN COC[C@H](CC[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-])OC ZINC000594954324 356363890 /nfs/dbraw/zinc/36/38/90/356363890.db2.gz FRCCAJGRDABVRI-NSHDSACASA-N 0 3 314.338 1.450 20 5 DDBDHN C[C@H](CO)[C@H]1CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595679779 356607880 /nfs/dbraw/zinc/60/78/80/356607880.db2.gz YCZWQXSMSAQCKQ-BXUZGUMPSA-N 0 3 321.377 1.677 20 5 DDBDHN C[C@@H](O)[C@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595771469 356645945 /nfs/dbraw/zinc/64/59/45/356645945.db2.gz PJEUYFDCULYJAL-OSAQELSMSA-N 0 3 310.350 1.180 20 5 DDBDHN C[C@H](N[C@H]1C[C@@H](O)C12CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595783626 356650677 /nfs/dbraw/zinc/65/06/77/356650677.db2.gz SIQRHYQFYJEKIE-LEWSCRJBSA-N 0 3 319.361 1.815 20 5 DDBDHN NC(=O)c1cc(N2CCN(C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000596073257 356762837 /nfs/dbraw/zinc/76/28/37/356762837.db2.gz JQZQTWHONRBYJR-UHFFFAOYSA-N 0 3 318.377 1.758 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596163185 356797873 /nfs/dbraw/zinc/79/78/73/356797873.db2.gz QDQGZGPQBRBEEW-ZANVPECISA-N 0 3 304.350 1.588 20 5 DDBDHN CN(C)C[C@H](CO)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000596242939 356829549 /nfs/dbraw/zinc/82/95/49/356829549.db2.gz GNURUDXNVMQNKG-SSDOTTSWSA-N 0 3 308.260 1.343 20 5 DDBDHN CC(C)(C)N1CC[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000596336605 356860039 /nfs/dbraw/zinc/86/00/39/356860039.db2.gz QOKRCLBIWHKDKU-VIFPVBQESA-N 0 3 307.354 1.373 20 5 DDBDHN C[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000599111012 357819221 /nfs/dbraw/zinc/81/92/21/357819221.db2.gz VYYFNQVVWAXLAW-OIBJUYFYSA-N 0 3 319.770 1.277 20 5 DDBDHN C[C@]1(CO)CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000599622315 357995713 /nfs/dbraw/zinc/99/57/13/357995713.db2.gz DRZNZHUGNUTMJB-IYBDPMFKSA-N 0 3 324.377 1.286 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CO[C@@H](C2CC2)C1 ZINC000600759496 358309612 /nfs/dbraw/zinc/30/96/12/358309612.db2.gz ZNVKKOGIDTZNNF-XJKCOSOUSA-N 0 3 322.361 1.492 20 5 DDBDHN CN(C)CCn1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000601002505 358377174 /nfs/dbraw/zinc/37/71/74/358377174.db2.gz OJEXQZBAGZNYIP-UHFFFAOYSA-N 0 3 317.349 1.283 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C[C@H]1CCC(=O)N1)C(C)C ZINC000602845300 359233143 /nfs/dbraw/zinc/23/31/43/359233143.db2.gz HKBGJMGJFCJPDG-GFCCVEGCSA-N 0 3 309.370 1.089 20 5 DDBDHN Cc1ccsc1[C@H](CO)NCCn1c(C)ncc1[N+](=O)[O-] ZINC000602810167 359207014 /nfs/dbraw/zinc/20/70/14/359207014.db2.gz FFHSELRJPAJPAP-NSHDSACASA-N 0 3 310.379 1.793 20 5 DDBDHN Cn1cc(C[C@H]2CCC[C@H]2NCc2cn(C)nc2[N+](=O)[O-])cn1 ZINC000602894410 359278589 /nfs/dbraw/zinc/27/85/89/359278589.db2.gz GMXZYSMTSRUUJT-TZMCWYRMSA-N 0 3 318.381 1.563 20 5 DDBDHN C[C@](CO)(NCCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000602962647 359325536 /nfs/dbraw/zinc/32/55/36/359325536.db2.gz NFHFSCYZNUJSKR-MRXNPFEDSA-N 0 3 323.393 1.114 20 5 DDBDHN C[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000237586217 202293234 /nfs/dbraw/zinc/29/32/34/202293234.db2.gz XYBURMXBSGIMJS-RYUDHWBXSA-N 0 3 306.366 1.606 20 5 DDBDHN Cc1ccc([C@H](C)NC(=O)CNC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000237634101 202311867 /nfs/dbraw/zinc/31/18/67/202311867.db2.gz PYRVEXMZSZAJQT-JSGCOSHPSA-N 0 3 321.377 1.849 20 5 DDBDHN CC[C@H](CN1CCCC1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000611598463 360774941 /nfs/dbraw/zinc/77/49/41/360774941.db2.gz BBQREICVURZLOB-LLVKDONJSA-N 0 3 307.354 1.408 20 5 DDBDHN O=C1CNC(=O)N1CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193286607 201020004 /nfs/dbraw/zinc/02/00/04/201020004.db2.gz ICRUSAJKUPAQED-ZDUSSCGKSA-N 0 3 318.333 1.114 20 5 DDBDHN C[C@@H](CN(C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000271813581 209236655 /nfs/dbraw/zinc/23/66/55/209236655.db2.gz MKEXWSMFUKTXEF-NSHDSACASA-N 0 3 316.365 1.899 20 5 DDBDHN C[C@]1(CO)CCC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000351525462 284361896 /nfs/dbraw/zinc/36/18/96/284361896.db2.gz SKMZSYQXKOZZBE-DZGCQCFKSA-N 0 3 307.350 1.674 20 5 DDBDHN COc1ccc(NC(=O)CN[C@@H](C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000274046684 211303129 /nfs/dbraw/zinc/30/31/29/211303129.db2.gz OZZIDMQYHTVYKQ-QWRGUYRKSA-N 0 3 323.349 1.557 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284669831 218124981 /nfs/dbraw/zinc/12/49/81/218124981.db2.gz GUTZNXJURBHRSG-KGLIPLIRSA-N 0 3 307.350 1.400 20 5 DDBDHN CCNC(=O)C[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000284794154 218181680 /nfs/dbraw/zinc/18/16/80/218181680.db2.gz OERPLHXNHHGJDD-LBPRGKRZSA-N 0 3 309.370 1.172 20 5 DDBDHN Cc1cc(CN(C)C)cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000340332969 251012538 /nfs/dbraw/zinc/01/25/38/251012538.db2.gz OETZHWHYNFAIIX-UHFFFAOYSA-N 0 3 318.337 1.195 20 5 DDBDHN CCN1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000158195248 197252707 /nfs/dbraw/zinc/25/27/07/197252707.db2.gz SMEVHXHHWFRYLQ-UHFFFAOYSA-N 0 3 320.393 1.585 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCN(C)CC1 ZINC000063703188 184286642 /nfs/dbraw/zinc/28/66/42/184286642.db2.gz MBBKRGVCKLUKRU-UHFFFAOYSA-N 0 3 320.393 1.271 20 5 DDBDHN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000270045772 208100554 /nfs/dbraw/zinc/10/05/54/208100554.db2.gz BLNUWMBCSQLXOE-NXEZZACHSA-N 0 3 317.349 1.636 20 5 DDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000286486077 219014246 /nfs/dbraw/zinc/01/42/46/219014246.db2.gz XAPCLNQTMAYVIB-ZYHUDNBSSA-N 0 3 319.365 1.152 20 5 DDBDHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000289482743 221009071 /nfs/dbraw/zinc/00/90/71/221009071.db2.gz IKSMEBMMOAPEGN-LLVKDONJSA-N 0 3 315.395 1.602 20 5 DDBDHN Cc1n[nH]c(C(=O)NCc2cccc(CN(C)C)c2)c1[N+](=O)[O-] ZINC000299505265 533667266 /nfs/dbraw/zinc/66/72/66/533667266.db2.gz DUZXUXWQHZJSRG-UHFFFAOYSA-N 0 3 317.349 1.618 20 5 DDBDHN C[C@@H]1CCN[C@@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000570035637 304391207 /nfs/dbraw/zinc/39/12/07/304391207.db2.gz OLLAPTWTLWHMSI-BXUZGUMPSA-N 0 3 307.350 1.478 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000330747787 286704070 /nfs/dbraw/zinc/70/40/70/286704070.db2.gz GMCYGFRXFPYEME-VXGBXAGGSA-N 0 3 324.406 1.295 20 5 DDBDHN CN1CCC[C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000078572714 407034885 /nfs/dbraw/zinc/03/48/85/407034885.db2.gz GGEGAQUAOXFEJY-NSHDSACASA-N 0 3 313.379 1.215 20 5 DDBDHN CC[NH2+]CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054266184 407181120 /nfs/dbraw/zinc/18/11/20/407181120.db2.gz LTFDIVMEUNHBMC-UHFFFAOYSA-N 0 3 307.759 1.136 20 5 DDBDHN Cc1cc(C(=O)N(CCN(C)C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000104532688 407351418 /nfs/dbraw/zinc/35/14/18/407351418.db2.gz SJBLXYWAZIGZTL-UHFFFAOYSA-N 0 3 322.409 1.469 20 5 DDBDHN O=C(NC[C@H]1CCN(C2CC2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000126131745 407406361 /nfs/dbraw/zinc/40/63/61/407406361.db2.gz IZKUHTCNYOHYDS-SNVBAGLBSA-N 0 3 307.325 1.948 20 5 DDBDHN COC(=O)c1cc(NC(=O)[C@@H](N)CC(C)C)cc([N+](=O)[O-])c1 ZINC000151715149 407482802 /nfs/dbraw/zinc/48/28/02/407482802.db2.gz OEZODYQXSVMKCM-LBPRGKRZSA-N 0 3 309.322 1.693 20 5 DDBDHN COC(=O)C(C)(C)CN[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000151800479 407500126 /nfs/dbraw/zinc/50/01/26/407500126.db2.gz QGISABLISUDQQX-SNVBAGLBSA-N 0 3 323.349 1.711 20 5 DDBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000221691251 407551253 /nfs/dbraw/zinc/55/12/53/407551253.db2.gz KGURSSPIIOIYIP-ZBFHGGJFSA-N 0 3 324.377 1.835 20 5 DDBDHN Cc1c(CN[C@@H](CC(N)=O)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000181952658 306701272 /nfs/dbraw/zinc/70/12/72/306701272.db2.gz KZKLQXFHOUDSOW-AWEZNQCLSA-N 0 3 321.377 1.663 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@@H](C)CN2CCCCCC2)c1[N+](=O)[O-] ZINC000186330952 407640297 /nfs/dbraw/zinc/64/02/97/407640297.db2.gz HFPQVGFDTBPDHP-NSHDSACASA-N 0 3 323.397 1.875 20 5 DDBDHN CC[C@@H](c1ccncc1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000130150762 407657841 /nfs/dbraw/zinc/65/78/41/407657841.db2.gz PWTOXOXDNXDGBV-GJZGRUSLSA-N 0 3 319.365 1.630 20 5 DDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000115443175 407679452 /nfs/dbraw/zinc/67/94/52/407679452.db2.gz RURYAUDFKKENFS-SNVBAGLBSA-N 0 3 324.356 1.730 20 5 DDBDHN O=[N+]([O-])c1cccc(Br)c1OC[C@H]1CNCCO1 ZINC000133526860 407854890 /nfs/dbraw/zinc/85/48/90/407854890.db2.gz UFDBQKZHQXKAPR-MRVPVSSYSA-N 0 3 317.139 1.725 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000268233459 407961701 /nfs/dbraw/zinc/96/17/01/407961701.db2.gz SPFXCJDDDMBGAL-BXUZGUMPSA-N 0 3 318.377 1.606 20 5 DDBDHN C[C@H]1NCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000262774909 407925209 /nfs/dbraw/zinc/92/52/09/407925209.db2.gz KQSGYQVXJGYYBE-MNOVXSKESA-N 0 3 309.391 1.896 20 5 DDBDHN CN(C)CCN(Cc1cccs1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000268371349 408015717 /nfs/dbraw/zinc/01/57/17/408015717.db2.gz YVRIMAIUCVIOHA-UHFFFAOYSA-N 0 3 322.394 1.597 20 5 DDBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000245837972 408075761 /nfs/dbraw/zinc/07/57/61/408075761.db2.gz AWTGRDSSMQMUJK-TUAOUCFPSA-N 0 3 323.397 1.425 20 5 DDBDHN C[C@@H]1CCC[C@H](CO)N1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246258558 408193839 /nfs/dbraw/zinc/19/38/39/408193839.db2.gz KNVDZKVPTDSYKV-BPLDGKMQSA-N 0 3 324.377 1.570 20 5 DDBDHN C[C@@H](NCCCNS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000121262778 408175130 /nfs/dbraw/zinc/17/51/30/408175130.db2.gz VHLRUAWPKVOSRM-SNVBAGLBSA-N 0 3 301.368 1.185 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN(C)C(C)C ZINC000155565941 408180010 /nfs/dbraw/zinc/18/00/10/408180010.db2.gz PDZJSLYYKMVWFO-UHFFFAOYSA-N 0 3 315.395 1.522 20 5 DDBDHN CC(C)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000155572442 408180450 /nfs/dbraw/zinc/18/04/50/408180450.db2.gz BDXZXWQBZSNVKF-UHFFFAOYSA-N 0 3 301.368 1.213 20 5 DDBDHN CCN1CCCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000263834435 408278541 /nfs/dbraw/zinc/27/85/41/408278541.db2.gz ZPXLBEYTPDFFDU-UHFFFAOYSA-N 0 3 323.397 1.352 20 5 DDBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000247320466 408449982 /nfs/dbraw/zinc/44/99/82/408449982.db2.gz SIUOQMCXZLWAGP-AAEUAGOBSA-N 0 3 318.377 1.733 20 5 DDBDHN CCN1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000264422583 408484587 /nfs/dbraw/zinc/48/45/87/408484587.db2.gz RJGMASGNSVJNIF-INIZCTEOSA-N 0 3 304.394 1.811 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000264438489 408491483 /nfs/dbraw/zinc/49/14/83/408491483.db2.gz SGITWAXJAVPEEF-GFCCVEGCSA-N 0 3 309.370 1.042 20 5 DDBDHN CCN(CCO)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000183965032 408519057 /nfs/dbraw/zinc/51/90/57/408519057.db2.gz XKVHFTNAWOIOLE-UHFFFAOYSA-N 0 3 315.757 1.292 20 5 DDBDHN CS[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270490043 408550043 /nfs/dbraw/zinc/55/00/43/408550043.db2.gz OGUYTCVSNYLOLZ-STQMWFEESA-N 0 3 309.391 1.712 20 5 DDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](CO)c1ccccc1 ZINC000270563180 408581816 /nfs/dbraw/zinc/58/18/16/408581816.db2.gz KWJGGVPOJBTJMF-HNNXBMFYSA-N 0 3 317.345 1.422 20 5 DDBDHN Cc1cc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000177170830 408542094 /nfs/dbraw/zinc/54/20/94/408542094.db2.gz KREAXUGTWZHSSU-WDEREUQCSA-N 0 3 318.377 1.840 20 5 DDBDHN C[C@@H](c1cccnc1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270680741 408634520 /nfs/dbraw/zinc/63/45/20/408634520.db2.gz UPNOSDPQCLECKZ-SMDDNHRTSA-N 0 3 305.338 1.240 20 5 DDBDHN CCOC(=O)c1ccnc(NC[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000265584797 408702544 /nfs/dbraw/zinc/70/25/44/408702544.db2.gz OBOSIZLEVXXLSL-SNVBAGLBSA-N 0 3 308.338 1.530 20 5 DDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(C2CCCCC2)CC1 ZINC000178194429 408785099 /nfs/dbraw/zinc/78/50/99/408785099.db2.gz MBUOJRMOTTXYQP-UHFFFAOYSA-N 0 3 321.381 1.268 20 5 DDBDHN COC(=O)c1cnc(NCCN2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000276603370 408891675 /nfs/dbraw/zinc/89/16/75/408891675.db2.gz RKWAURUKTXANDU-LLVKDONJSA-N 0 3 322.365 1.920 20 5 DDBDHN CCN1CCC(Nc2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000286263939 408951599 /nfs/dbraw/zinc/95/15/99/408951599.db2.gz VZOGJPRLUFQPRP-UHFFFAOYSA-N 0 3 308.338 1.673 20 5 DDBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@H](O)Cc1ccccc1 ZINC000293143696 409057893 /nfs/dbraw/zinc/05/78/93/409057893.db2.gz BFNMQSCVKOOZNC-CQSZACIVSA-N 0 3 304.350 1.327 20 5 DDBDHN CN1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)C1 ZINC000293654771 409155077 /nfs/dbraw/zinc/15/50/77/409155077.db2.gz HGFICTNQUPDVLU-OAHLLOKOSA-N 0 3 322.340 1.484 20 5 DDBDHN Cc1nn(C)c(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000294090762 409238535 /nfs/dbraw/zinc/23/85/35/409238535.db2.gz KFYKXYSNIQXZJU-HNNXBMFYSA-N 0 3 321.381 1.195 20 5 DDBDHN CCC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000285449894 409448944 /nfs/dbraw/zinc/44/89/44/409448944.db2.gz ZMDAXFCIGKAQGO-CMPLNLGQSA-N 0 3 306.366 1.839 20 5 DDBDHN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(CCCO)C1 ZINC000295476800 409500323 /nfs/dbraw/zinc/50/03/23/409500323.db2.gz NUORGDHDSIICAQ-AWEZNQCLSA-N 0 3 321.377 1.100 20 5 DDBDHN O=C(COc1ccccc1[N+](=O)[O-])NCCNc1ccncc1 ZINC000338067529 409693399 /nfs/dbraw/zinc/69/33/99/409693399.db2.gz HUXIYJGMFITJBM-UHFFFAOYSA-N 0 3 316.317 1.019 20 5 DDBDHN COc1ccc(C(=O)NCCNc2ccncc2)cc1[N+](=O)[O-] ZINC000338073030 409695149 /nfs/dbraw/zinc/69/51/49/409695149.db2.gz KWBHDSGCTKLQMP-UHFFFAOYSA-N 0 3 316.317 1.262 20 5 DDBDHN CC(=O)N1CCC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000356883318 409688576 /nfs/dbraw/zinc/68/85/76/409688576.db2.gz USIIYUDLRRNCRJ-UHFFFAOYSA-N 0 3 317.349 1.572 20 5 DDBDHN CC(C)N1C[C@H](C)[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000342558957 409722560 /nfs/dbraw/zinc/72/25/60/409722560.db2.gz DSUYZFLCFPZAEQ-GXFFZTMASA-N 0 3 306.366 1.834 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000346189249 409855034 /nfs/dbraw/zinc/85/50/34/409855034.db2.gz FWHBJJHTTFGSIM-NSHDSACASA-N 0 3 317.349 1.460 20 5 DDBDHN CC(C)OCCN1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000354580552 409950191 /nfs/dbraw/zinc/95/01/91/409950191.db2.gz WIZNQWDEARGSFE-UHFFFAOYSA-N 0 3 324.381 1.542 20 5 DDBDHN CN1CCCC(C)(C)[C@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357686994 410185520 /nfs/dbraw/zinc/18/55/20/410185520.db2.gz QVSATNMAJPZSLJ-LLVKDONJSA-N 0 3 321.381 1.621 20 5 DDBDHN CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000347015013 410316229 /nfs/dbraw/zinc/31/62/29/410316229.db2.gz UZWCWBRYIQEHCE-ZDUSSCGKSA-N 0 3 319.361 1.669 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](c2cccnc2)C2CC2)c1 ZINC000347358340 410493497 /nfs/dbraw/zinc/49/34/97/410493497.db2.gz JWNLKVMLVREKCJ-LSDHHAIUSA-N 0 3 317.349 1.288 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H]1CCOC1 ZINC000299246226 410580435 /nfs/dbraw/zinc/58/04/35/410580435.db2.gz KLLWCTKJRBVDIQ-GFCCVEGCSA-N 0 3 323.349 1.653 20 5 DDBDHN Cc1c(CNC(=O)NC[C@@](C)(O)CN(C)C)cccc1[N+](=O)[O-] ZINC000359530806 410715518 /nfs/dbraw/zinc/71/55/18/410715518.db2.gz JHLVAVGGIMXJFT-OAHLLOKOSA-N 0 3 324.381 1.015 20 5 DDBDHN CCN1CCCC[C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301953349 410836352 /nfs/dbraw/zinc/83/63/52/410836352.db2.gz CRRGJRRINQBJNB-LLVKDONJSA-N 0 3 304.354 1.924 20 5 DDBDHN CCN1CCCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000302117852 410839910 /nfs/dbraw/zinc/83/99/10/410839910.db2.gz WUYBNHUOARYGID-UHFFFAOYSA-N 0 3 307.350 1.913 20 5 DDBDHN CC1(C)CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCN1 ZINC000331103066 410950738 /nfs/dbraw/zinc/95/07/38/410950738.db2.gz DXFCXRWCMLEOIF-UHFFFAOYSA-N 0 3 313.304 1.626 20 5 DDBDHN CCN(C)C(=O)CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000360006831 410994053 /nfs/dbraw/zinc/99/40/53/410994053.db2.gz LDNILPFSAXOGAD-NSHDSACASA-N 0 3 322.365 1.380 20 5 DDBDHN COC(=O)COc1ccc(CNC(C)(C)CO)cc1[N+](=O)[O-] ZINC000353738768 411120467 /nfs/dbraw/zinc/12/04/67/411120467.db2.gz NTHKAECXHXUZAA-UHFFFAOYSA-N 0 3 312.322 1.007 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]([NH3+])C2CC2)cc1C ZINC000133150291 196315584 /nfs/dbraw/zinc/31/55/84/196315584.db2.gz MYOXIUBGCMPFSY-NSHDSACASA-N 0 3 313.379 1.227 20 5 DDBDHN C[C@H](CO)N1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000366907709 418535213 /nfs/dbraw/zinc/53/52/13/418535213.db2.gz BEPIGPRCFAWMFM-GFCCVEGCSA-N 0 3 311.357 1.622 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)NCCNC2CC2)c1[N+](=O)[O-] ZINC000193258858 418530112 /nfs/dbraw/zinc/53/01/12/418530112.db2.gz WJOZNTUXJLPAQA-UHFFFAOYSA-N 0 3 313.379 1.242 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)n1 ZINC000191633122 222106445 /nfs/dbraw/zinc/10/64/45/222106445.db2.gz TWCQAYSQYPHLMQ-GHMZBOCLSA-N 0 3 309.370 1.366 20 5 DDBDHN CC1(C)[C@@H](O)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000361414271 418648190 /nfs/dbraw/zinc/64/81/90/418648190.db2.gz ILSFYHKNTIMSRU-RISCZKNCSA-N 0 3 310.350 1.180 20 5 DDBDHN NC(=O)c1ccc(CN2CC[C@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000375278910 418624419 /nfs/dbraw/zinc/62/44/19/418624419.db2.gz MNZFQHHWMCQRTR-INIZCTEOSA-N 0 3 319.361 1.696 20 5 DDBDHN Cc1cc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000372943699 418914819 /nfs/dbraw/zinc/91/48/19/418914819.db2.gz CFPNLPUTFBOTBO-KGLIPLIRSA-N 0 3 319.361 1.496 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425044551 228353736 /nfs/dbraw/zinc/35/37/36/228353736.db2.gz HZDWIOIERJUIHX-SMDDNHRTSA-N 0 3 319.361 1.770 20 5 DDBDHN C[C@@H]1CN(CCO)[C@H](C)CN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000418109210 419539073 /nfs/dbraw/zinc/53/90/73/419539073.db2.gz HXOVKGSHVRNCKP-JFOCPDPESA-N 0 3 319.405 1.995 20 5 DDBDHN CN(C[C@@H]1CCCN1C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000421709142 419692393 /nfs/dbraw/zinc/69/23/93/419692393.db2.gz CRKWUVXYONEQRB-ZDUSSCGKSA-N 0 3 309.341 1.829 20 5 DDBDHN Cc1c(CC(=O)N(C)C[C@@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000421711535 419699847 /nfs/dbraw/zinc/69/98/47/419699847.db2.gz OPCJFYNAAXPLTL-AWEZNQCLSA-N 0 3 305.378 1.998 20 5 DDBDHN CNc1nc(C(=O)N(C)C[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000422032230 419817878 /nfs/dbraw/zinc/81/78/78/419817878.db2.gz FCOASEBGMXDZJM-JTQLQIEISA-N 0 3 307.354 1.198 20 5 DDBDHN CNS(=O)(=O)CCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429235880 419990404 /nfs/dbraw/zinc/99/04/04/419990404.db2.gz GNJPPTXGVGPGBL-UHFFFAOYSA-N 0 3 315.395 1.359 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CN)CC(C)C ZINC000415420088 420057456 /nfs/dbraw/zinc/05/74/56/420057456.db2.gz AMUDRKXAJOEVDY-LLVKDONJSA-N 0 3 322.365 1.331 20 5 DDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CNCCO1 ZINC000415770376 420171448 /nfs/dbraw/zinc/17/14/48/420171448.db2.gz YSLKCAUKAOSYHN-LBPRGKRZSA-N 0 3 308.338 1.267 20 5 DDBDHN COc1cc(C(=O)NCC2(N(C)C)CC2)cc([N+](=O)[O-])c1OC ZINC000416298685 420315015 /nfs/dbraw/zinc/31/50/15/420315015.db2.gz DQBGOTSVKNTRJT-UHFFFAOYSA-N 0 3 323.349 1.436 20 5 DDBDHN Cc1cc(OCC(=O)NCC2(N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000416307249 420323672 /nfs/dbraw/zinc/32/36/72/420323672.db2.gz JTVVMRVCQHGSGR-UHFFFAOYSA-N 0 3 307.350 1.492 20 5 DDBDHN O=C(CCN[C@@H](CO)[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000447918605 420819113 /nfs/dbraw/zinc/81/91/13/420819113.db2.gz ZTNNTQHZZBYKID-UONOGXRCSA-N 0 3 323.349 1.053 20 5 DDBDHN CCOC[C@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000459706770 420852303 /nfs/dbraw/zinc/85/23/03/420852303.db2.gz JEAHJLPCSPMOSU-TZMCWYRMSA-N 0 3 312.370 1.043 20 5 DDBDHN CO[C@@H]1COC[C@@H]1N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000459758299 420866084 /nfs/dbraw/zinc/86/60/84/420866084.db2.gz PSZHKZCGNBMOKY-LEWSCRJBSA-N 0 3 323.349 1.315 20 5 DDBDHN CN[C@H](CC(C)(C)C)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000449170389 420964830 /nfs/dbraw/zinc/96/48/30/420964830.db2.gz QSAPVIXQIFJPLS-GFCCVEGCSA-N 0 3 319.365 2.434 20 5 DDBDHN C[C@@H](NC(=O)NCCOCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000471635102 420934841 /nfs/dbraw/zinc/93/48/41/420934841.db2.gz HYERMXVXEQXGPW-GFCCVEGCSA-N 0 3 324.381 1.533 20 5 DDBDHN CN1CC[C@@](O)(CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450442791 421198411 /nfs/dbraw/zinc/19/84/11/421198411.db2.gz YOSLQIFGEUMMFE-OAHLLOKOSA-N 0 3 302.334 1.622 20 5 DDBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548386066 421431355 /nfs/dbraw/zinc/43/13/55/421431355.db2.gz YGYPHONTTFSNJH-GHMZBOCLSA-N 0 3 321.381 1.422 20 5 DDBDHN C[C@H]1CCN(CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000553556999 421620897 /nfs/dbraw/zinc/62/08/97/421620897.db2.gz QQTHRDVLZRLAFE-LBPRGKRZSA-N 0 3 319.361 1.526 20 5 DDBDHN CC(C)(C)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531630389 421639756 /nfs/dbraw/zinc/63/97/56/421639756.db2.gz POOIWYJSKHMULE-UHFFFAOYSA-N 0 3 306.366 1.936 20 5 DDBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000554599989 421654205 /nfs/dbraw/zinc/65/42/05/421654205.db2.gz PUMHFNUTXAJVQW-NSHDSACASA-N 0 3 309.370 1.275 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCC1(CO)CCOCC1 ZINC000519762222 421724897 /nfs/dbraw/zinc/72/48/97/421724897.db2.gz ASVQRBTWDCFIOZ-AWEZNQCLSA-N 0 3 306.362 1.961 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@H](O)CN(C)C1CC1 ZINC000574982697 422227910 /nfs/dbraw/zinc/22/79/10/422227910.db2.gz HVIOKZCMDZKOCE-AWEZNQCLSA-N 0 3 309.366 1.148 20 5 DDBDHN CN1CCC[C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000108562518 270966949 /nfs/dbraw/zinc/96/69/49/270966949.db2.gz UQLZLLIEQYMZGI-CQSZACIVSA-N 0 3 320.393 1.778 20 5 DDBDHN CC(C)NCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000315772837 271015288 /nfs/dbraw/zinc/01/52/88/271015288.db2.gz RFXGPZDLDACPFH-UHFFFAOYSA-N 0 3 306.366 1.241 20 5 DDBDHN CCS(=O)(=O)C[C@@H](C)NCCc1ccccc1[N+](=O)[O-] ZINC000341716406 271186157 /nfs/dbraw/zinc/18/61/57/271186157.db2.gz YAGXYCZLGZIXOC-LLVKDONJSA-N 0 3 300.380 1.550 20 5 DDBDHN CCN1C[C@@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000346185030 272435019 /nfs/dbraw/zinc/43/50/19/272435019.db2.gz GNBHNVMYNZQDTE-CHWSQXEVSA-N 0 3 308.382 1.171 20 5 DDBDHN CC(C)([NH3+])C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000129650679 275551981 /nfs/dbraw/zinc/55/19/81/275551981.db2.gz ZARKKYCXLKMBGX-UHFFFAOYSA-N 0 3 307.759 1.264 20 5 DDBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC(=O)N(C)C1 ZINC000268884480 278222413 /nfs/dbraw/zinc/22/24/13/278222413.db2.gz WUAPHLDNJQFLGR-CMPLNLGQSA-N 0 3 320.349 1.132 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCS(=O)(=O)C1 ZINC000449164927 279382473 /nfs/dbraw/zinc/38/24/73/279382473.db2.gz RXWMUNHHIRDBJG-DGCLKSJQSA-N 0 3 312.391 1.693 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCS(=O)(=O)C1 ZINC000449164929 279383002 /nfs/dbraw/zinc/38/30/02/279383002.db2.gz RXWMUNHHIRDBJG-YPMHNXCESA-N 0 3 312.391 1.693 20 5 DDBDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354201872 298361414 /nfs/dbraw/zinc/36/14/14/298361414.db2.gz YTBFUOYMUASTKP-NSHDSACASA-N 0 3 309.370 1.558 20 5 DDBDHN Cc1ccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000367461258 300847902 /nfs/dbraw/zinc/84/79/02/300847902.db2.gz UBWYAPNUYYCMIM-NVXWUHKLSA-N 0 3 319.405 1.934 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000367461499 300848321 /nfs/dbraw/zinc/84/83/21/300848321.db2.gz AGFZYXPUTXMSJT-CJNGLKHVSA-N 0 3 319.361 1.750 20 5 DDBDHN CSc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000368194404 300973882 /nfs/dbraw/zinc/97/38/82/300973882.db2.gz QLDLKENEKYIJPA-UWVGGRQHSA-N 0 3 313.354 1.747 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000368595230 301061545 /nfs/dbraw/zinc/06/15/45/301061545.db2.gz SIERBSLNASWEIP-STQMWFEESA-N 0 3 321.381 1.042 20 5 DDBDHN Cc1nc(N2CCCN(CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000370531471 301358067 /nfs/dbraw/zinc/35/80/67/301358067.db2.gz PPPXQZFSDKHVFD-UHFFFAOYSA-N 0 3 307.398 1.372 20 5 DDBDHN CN1CCC2(CCCN2C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000371310222 301448825 /nfs/dbraw/zinc/44/88/25/301448825.db2.gz HZQKIYLOSCJLET-UHFFFAOYSA-N 0 3 318.377 1.877 20 5 DDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000375901207 302013163 /nfs/dbraw/zinc/01/31/63/302013163.db2.gz LCRMPXIPYXJENA-DGCLKSJQSA-N 0 3 304.350 1.689 20 5 DDBDHN COCC(C)(C)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000429274588 302387728 /nfs/dbraw/zinc/38/77/28/302387728.db2.gz SUHPMQZQQOBGRC-ZDUSSCGKSA-N 0 3 312.366 1.691 20 5 DDBDHN CO[C@H]1C[C@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000451497517 302399912 /nfs/dbraw/zinc/39/99/12/302399912.db2.gz MTFPVWVGBVVIKQ-KBPBESRZSA-N 0 3 321.377 1.961 20 5 DDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H](C)C1 ZINC000532134267 303276213 /nfs/dbraw/zinc/27/62/13/303276213.db2.gz VLVVJCLGMXDMNM-VXGBXAGGSA-N 0 3 306.366 1.840 20 5 DDBDHN CN(C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532407716 303285728 /nfs/dbraw/zinc/28/57/28/303285728.db2.gz JVYBCDBCUZWDSC-UHFFFAOYSA-N 0 3 314.345 1.981 20 5 DDBDHN CN1CCC(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000533861468 303323691 /nfs/dbraw/zinc/32/36/91/303323691.db2.gz TZAQEJGGMCOFOJ-UHFFFAOYSA-N 0 3 303.362 1.821 20 5 DDBDHN C[C@H]1CCN(CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000538709535 303389161 /nfs/dbraw/zinc/38/91/61/303389161.db2.gz LQYMPADZIKMSRL-JTQLQIEISA-N 0 3 321.333 1.395 20 5 DDBDHN CCOc1cc(CN[C@@H](CO)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000361605128 307001030 /nfs/dbraw/zinc/00/10/30/307001030.db2.gz VJGBQLZRGWHJEM-AWEZNQCLSA-N 0 3 324.377 1.871 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000367142503 307087064 /nfs/dbraw/zinc/08/70/64/307087064.db2.gz XKUSYUFGUVJORP-QWHCGFSZSA-N 0 3 307.350 1.115 20 5 DDBDHN O=C1OCC[C@H]1CCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369004143 307114348 /nfs/dbraw/zinc/11/43/48/307114348.db2.gz YNPZAOVNUMJLEU-NEPJUHHUSA-N 0 3 308.338 1.381 20 5 DDBDHN O=[N+]([O-])c1cnc(N2CCC[C@@H]2CN2CCC[C@@H]2CO)s1 ZINC000374490955 307209101 /nfs/dbraw/zinc/20/91/01/307209101.db2.gz XWLYQRBPCMUFOL-GHMZBOCLSA-N 0 3 312.395 1.477 20 5 DDBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](CC[NH3+])C(F)F ZINC000383322472 325748966 /nfs/dbraw/zinc/74/89/66/325748966.db2.gz SIGIPRJEHIPWSI-MRVPVSSYSA-N 0 3 323.321 1.164 20 5 DDBDHN COCc1ccccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000390313564 325781407 /nfs/dbraw/zinc/78/14/07/325781407.db2.gz WCTCLTATWPROPA-HNNXBMFYSA-N 0 3 320.349 1.088 20 5 DDBDHN CNc1nc(C(=O)NCCN2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000582530249 337105472 /nfs/dbraw/zinc/10/54/72/337105472.db2.gz MEGHEPXOYKGIJW-SNVBAGLBSA-N 0 3 307.354 1.103 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000582625216 337116106 /nfs/dbraw/zinc/11/61/06/337116106.db2.gz BXOPPKXXXBZPQR-NSHDSACASA-N 0 3 306.366 1.613 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H](n3cncn3)C2)c1 ZINC000372370479 483933268 /nfs/dbraw/zinc/93/32/68/483933268.db2.gz UBSAKUIZRVSRHK-ZIAGYGMSSA-N 0 3 303.322 1.167 20 5 DDBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000452345937 528315261 /nfs/dbraw/zinc/31/52/61/528315261.db2.gz SUCQHIRYUBDZIX-LBPRGKRZSA-N 0 3 323.397 1.569 20 5 DDBDHN CCOCC[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000444657233 528870093 /nfs/dbraw/zinc/87/00/93/528870093.db2.gz KBVXXSFWOBKWDQ-OCCSQVGLSA-N 0 3 324.381 1.264 20 5 DDBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000330930554 529098902 /nfs/dbraw/zinc/09/89/02/529098902.db2.gz PRPHRYSDOXCDLX-WCQYABFASA-N 0 3 323.397 1.371 20 5 DDBDHN O=C1OCC[C@H]1CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000120647298 696698947 /nfs/dbraw/zinc/69/89/47/696698947.db2.gz QAGWSUMBXJLCBW-VXGBXAGGSA-N 0 3 320.349 1.429 20 5 DDBDHN O=[N+]([O-])c1ccc2cnn(CN3CC[C@H](N4CC=CC4)C3)c2c1 ZINC000172930844 697373180 /nfs/dbraw/zinc/37/31/80/697373180.db2.gz MXYJMDFIMYXSQG-HNNXBMFYSA-N 0 3 313.361 1.848 20 5 DDBDHN NC(=O)CC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278357 698091622 /nfs/dbraw/zinc/09/16/22/698091622.db2.gz UZBDLHVEAODZCE-AWEZNQCLSA-N 0 3 307.350 1.216 20 5 DDBDHN CN(C)C(=O)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776574527 698119457 /nfs/dbraw/zinc/11/94/57/698119457.db2.gz IKUNLTIRNRNAOF-OAHLLOKOSA-N 0 3 321.377 1.428 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCOC(=O)C1CCN(C2CC2)CC1 ZINC000788178986 699288075 /nfs/dbraw/zinc/28/80/75/699288075.db2.gz GYKUETLJMDMHCK-UHFFFAOYSA-N 0 3 322.365 1.517 20 5 DDBDHN O=[N+]([O-])c1cnc(NC2CCN(C[C@H]3CCCO3)CC2)nc1 ZINC000760478781 700810395 /nfs/dbraw/zinc/81/03/95/700810395.db2.gz VZMJBGILRQQKLH-CYBMUJFWSA-N 0 3 307.354 1.440 20 5 DDBDHN Cc1c(NC(=O)CCN2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000761074561 700838936 /nfs/dbraw/zinc/83/89/36/700838936.db2.gz CRUHNLGPUIYJJU-LBPRGKRZSA-N 0 3 320.393 1.868 20 5 DDBDHN CCN(CC)CCS(=O)(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000810058367 701717804 /nfs/dbraw/zinc/71/78/04/701717804.db2.gz MYQBXPHHTKESLX-UHFFFAOYSA-N 0 3 320.342 1.784 20 5 DDBDHN CC(COC(=O)C1CCC(OC[C@H]2CCCO2)CC1)[N+](=O)[O-] ZINC000816091364 702011419 /nfs/dbraw/zinc/01/14/19/702011419.db2.gz UBEWHLGXVUFKRI-BLYZHGLHSA-N 0 3 315.366 1.949 20 5 DDBDHN CC(COC(=O)[C@H]1CSCN1C(=O)C(C)(C)C)[N+](=O)[O-] ZINC000813103765 702292175 /nfs/dbraw/zinc/29/21/75/702292175.db2.gz SSAZZTYYROIRFA-DTWKUNHWSA-N 0 3 304.368 1.142 20 5 DDBDHN CC(COC(=O)c1ccccc1CN1CCOCC1)[N+](=O)[O-] ZINC000813105074 702293043 /nfs/dbraw/zinc/29/30/43/702293043.db2.gz JMJUZLOBUDFUMC-GFCCVEGCSA-N 0 3 308.334 1.341 20 5 DDBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)[N+](=O)[O-] ZINC000813107708 702294170 /nfs/dbraw/zinc/29/41/70/702294170.db2.gz URAKLBCCXMNBOJ-GXTWGEPZSA-N 0 3 320.345 1.747 20 5 DDBDHN CC(COC(=O)C1CCN(C(=O)c2ccoc2)CC1)[N+](=O)[O-] ZINC000813114410 702298939 /nfs/dbraw/zinc/29/89/39/702298939.db2.gz RAQHUSOMFUCVFA-SNVBAGLBSA-N 0 3 310.306 1.340 20 5 DDBDHN CC(COC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813114365 702299396 /nfs/dbraw/zinc/29/93/96/702299396.db2.gz QSJZAUDAUJSUGQ-JTQLQIEISA-N 0 3 311.294 1.995 20 5 DDBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H](C)C(=O)NCCF ZINC000866355078 706680114 /nfs/dbraw/zinc/68/01/14/706680114.db2.gz SWGFUQRAOHSBGO-UWVGGRQHSA-N 0 3 315.320 1.729 20 5 DDBDHN C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000843059764 702809815 /nfs/dbraw/zinc/80/98/15/702809815.db2.gz NBEHKXIQRBRCBI-BKDNQFJXSA-N 0 3 308.256 1.530 20 5 DDBDHN COC[C@H](OC)C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000851108025 703780940 /nfs/dbraw/zinc/78/09/40/703780940.db2.gz HZEQXNNMUHQJAB-XDTLVQLUSA-N 0 3 315.297 1.737 20 5 DDBDHN C[C@@]12COC[C@]1(C)CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852462034 704054076 /nfs/dbraw/zinc/05/40/76/704054076.db2.gz DVBMLBUWUZIDOQ-OAGGEKHMSA-N 0 3 306.362 1.987 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000820272081 704250327 /nfs/dbraw/zinc/25/03/27/704250327.db2.gz JGIOFBOYOXQOLY-ARLBYUKCSA-N 0 3 315.373 1.861 20 5 DDBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@H](N2CCC2)C1 ZINC000826949581 705897471 /nfs/dbraw/zinc/89/74/71/705897471.db2.gz JODFKRNILPMATJ-AWEZNQCLSA-N 0 3 321.352 1.973 20 5 DDBDHN COC[C@@H](O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872071219 707287753 /nfs/dbraw/zinc/28/77/53/707287753.db2.gz ZXMVTIIRXADMFQ-KOLCDFICSA-N 0 3 300.380 1.975 20 5 DDBDHN CN(CCNc1c(F)cccc1[N+](=O)[O-])CCOCCO ZINC000882951865 707867820 /nfs/dbraw/zinc/86/78/20/707867820.db2.gz YLMGDUATTKSAOJ-UHFFFAOYSA-N 0 3 301.318 1.087 20 5 DDBDHN Cc1c(CNCC[C@@H]2CCCS2(=O)=O)cccc1[N+](=O)[O-] ZINC000883296305 707967942 /nfs/dbraw/zinc/96/79/42/707967942.db2.gz JOXDOXPSGCWSRT-ZDUSSCGKSA-N 0 3 312.391 1.960 20 5 DDBDHN C[C@@H](CNC(=O)N(C)CCN(C)C)c1ccccc1[N+](=O)[O-] ZINC000897067613 708222619 /nfs/dbraw/zinc/22/26/19/708222619.db2.gz NHRYCZFYRLXMPP-LBPRGKRZSA-N 0 3 308.382 1.901 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H]2CCCN3CCO)c(F)c1 ZINC000897220528 708258648 /nfs/dbraw/zinc/25/86/48/708258648.db2.gz XCDXIFYUDIIXLQ-HUUCEWRRSA-N 0 3 309.341 1.769 20 5 DDBDHN Nc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCCN3CCO)c1 ZINC000897221125 708259321 /nfs/dbraw/zinc/25/93/21/708259321.db2.gz HMEGXJYBBURCKT-QWHCGFSZSA-N 0 3 306.366 1.212 20 5 DDBDHN Cc1ccc(N2CC[C@@H]3[C@@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC000897222600 708259992 /nfs/dbraw/zinc/25/99/92/708259992.db2.gz WCXCMIPNHGEWCN-KGLIPLIRSA-N 0 3 305.378 1.939 20 5 DDBDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886157758 708707620 /nfs/dbraw/zinc/70/76/20/708707620.db2.gz KFGJKHKYDKQAQJ-LBPRGKRZSA-N 0 3 308.382 1.267 20 5 DDBDHN CN(CCO)CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000912612519 713050273 /nfs/dbraw/zinc/05/02/73/713050273.db2.gz RTHOHRHENVZOGH-UHFFFAOYSA-N 0 3 315.757 1.244 20 5 DDBDHN C[C@H]1[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1C ZINC000928453737 713204242 /nfs/dbraw/zinc/20/42/42/713204242.db2.gz PVXJLFAKZKTQIB-GXSJLCMTSA-N 0 3 321.333 1.188 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCN1C ZINC000928455746 713204391 /nfs/dbraw/zinc/20/43/91/713204391.db2.gz UMMYINBGMWZOOQ-MFKMUULPSA-N 0 3 306.366 1.483 20 5 DDBDHN COc1c([O-])ccc(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000895844010 711623528 /nfs/dbraw/zinc/62/35/28/711623528.db2.gz QUPOVPYPHJETEN-DGCLKSJQSA-N 0 3 321.377 1.835 20 5 DDBDHN COc1c([O-])ccc(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000895844010 711623530 /nfs/dbraw/zinc/62/35/30/711623530.db2.gz QUPOVPYPHJETEN-DGCLKSJQSA-N 0 3 321.377 1.835 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(c2ccn(C)n2)CC1 ZINC000932141520 714270111 /nfs/dbraw/zinc/27/01/11/714270111.db2.gz LIAPGPNXMGDLSC-UHFFFAOYSA-N 0 3 318.381 1.713 20 5 DDBDHN Cc1ccn(C)c1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126255686 738776953 /nfs/dbraw/zinc/77/69/53/738776953.db2.gz RFWQGZLIMRZADH-UHFFFAOYSA-N 0 3 316.361 1.761 20 5 DDBDHN COc1ncc([N+](=O)[O-])c(-n2nc(CN)c3ccccc32)n1 ZINC001167695600 736262277 /nfs/dbraw/zinc/26/22/77/736262277.db2.gz KRXLZVODYZJBRV-UHFFFAOYSA-N 0 3 300.278 1.191 20 5 DDBDHN CC(C)SCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001123774816 746819735 /nfs/dbraw/zinc/81/97/35/746819735.db2.gz PHGMIECCGHDFMA-UHFFFAOYSA-N 0 3 311.407 1.942 20 5 DDBDHN COc1ccc(N2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169057472 762211351 /nfs/dbraw/zinc/21/13/51/762211351.db2.gz VUCAIDMSGOIVMH-KBPBESRZSA-N 0 3 320.393 1.658 20 5 DDBDHN O=C(Cc1ncc[nH]1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001169204469 762277391 /nfs/dbraw/zinc/27/73/91/762277391.db2.gz LADHWZJASQCWSC-UHFFFAOYSA-N 0 3 317.349 1.157 20 5 DDBDHN Cc1cc(CN)nn1-c1nccc(Br)c1[N+](=O)[O-] ZINC001163986037 755637837 /nfs/dbraw/zinc/63/78/37/755637837.db2.gz PIJDFXDBJPRNBI-UHFFFAOYSA-N 0 3 312.127 1.705 20 5 DDBDHN COCC(C)(C)C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001131322013 767989529 /nfs/dbraw/zinc/98/95/29/767989529.db2.gz VDFVQUIFSFFMNE-UHFFFAOYSA-N 0 3 309.366 1.473 20 5 DDBDHN C[C@@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)[C@@H]1CNCCO1 ZINC001170568510 768179299 /nfs/dbraw/zinc/17/92/99/768179299.db2.gz IOMXDFURLZYDST-YGRLFVJLSA-N 0 3 306.366 1.657 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC001116230210 780486899 /nfs/dbraw/zinc/48/68/99/780486899.db2.gz URPUVMHRCBKOMS-MNOVXSKESA-N 0 3 318.377 1.992 20 5 DDBDHN O=C1NCCC12CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC001119264607 781386363 /nfs/dbraw/zinc/38/63/63/781386363.db2.gz DOKOXNSWLGHWIF-CQSZACIVSA-N 0 3 319.361 1.230 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1ccon1 ZINC001155144129 861771499 /nfs/dbraw/zinc/77/14/99/861771499.db2.gz YULPPEKFQTZMAE-UHFFFAOYSA-N 0 3 304.306 1.493 20 5 DDBDHN CN(C)CCONC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001328372956 862932963 /nfs/dbraw/zinc/93/29/63/862932963.db2.gz PCXHSPRTTHTDPJ-UHFFFAOYSA-N 0 3 321.255 1.837 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC2(CC1)CNCCO2 ZINC001122235057 858721254 /nfs/dbraw/zinc/72/12/54/858721254.db2.gz XZWPUTCVGLNIDP-UHFFFAOYSA-N 0 3 323.324 1.329 20 5 DDBDHN CC(C)SCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001123775059 859408280 /nfs/dbraw/zinc/40/82/80/859408280.db2.gz UHMRWIXBGJBJST-UHFFFAOYSA-N 0 3 311.407 1.942 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2[C@H](C1)CCCN2C ZINC001157259092 863689248 /nfs/dbraw/zinc/68/92/48/863689248.db2.gz CQCIZUODGUGMID-GWCFXTLKSA-N 0 3 320.349 1.307 20 5 DDBDHN CN1CCN(C(=N)Nc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001157915168 864258269 /nfs/dbraw/zinc/25/82/69/864258269.db2.gz SGAWFCVBLOKGII-UHFFFAOYSA-N 0 3 314.349 1.737 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC001332401691 865813974 /nfs/dbraw/zinc/81/39/74/865813974.db2.gz KHYRDRSRDPNIIW-HUUCEWRRSA-N 0 3 318.377 1.945 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCN(C3CCC3)C2)n1 ZINC001161183198 866429871 /nfs/dbraw/zinc/42/98/71/866429871.db2.gz QMNIDFUKPFFITJ-JTQLQIEISA-N 0 3 320.349 1.815 20 5 DDBDHN CCN1CCN([C@H](C)CNc2c(C)cncc2[N+](=O)[O-])CC1 ZINC001320589327 866863227 /nfs/dbraw/zinc/86/32/27/866863227.db2.gz KTLUUKNKMNFQER-CYBMUJFWSA-N 0 3 307.398 1.158 20 5 DDBDHN Cc1nccn1-c1ccncc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001321903711 867866894 /nfs/dbraw/zinc/86/68/94/867866894.db2.gz MQBCIUUUSLNDLI-UHFFFAOYSA-N 0 3 313.277 1.459 20 5 DDBDHN Cc1nccn1-c1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC001321903711 867866902 /nfs/dbraw/zinc/86/69/02/867866902.db2.gz MQBCIUUUSLNDLI-UHFFFAOYSA-N 0 3 313.277 1.459 20 5 DDBDHN CC(C)(C)N1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC001322678515 868319744 /nfs/dbraw/zinc/31/97/44/868319744.db2.gz UADDEOKURPBAGZ-UHFFFAOYSA-N 0 3 308.382 1.590 20 5 DDBDHN COc1ccc2ncc([N+](=O)[O-])c(N3CC(N(C)C)C3)c2c1 ZINC001337372921 869456896 /nfs/dbraw/zinc/45/68/96/869456896.db2.gz BAQALLVNTCUJTF-UHFFFAOYSA-N 0 3 302.334 1.902 20 5 DDBDHN CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCN(CC(C)C)CC1 ZINC001339468508 870513461 /nfs/dbraw/zinc/51/34/61/870513461.db2.gz WEXJEAWRRWRARC-GFCCVEGCSA-N 0 3 310.402 1.414 20 5 DDBDHN CC(COC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)[N+](=O)[O-] ZINC001348533558 874620376 /nfs/dbraw/zinc/62/03/76/874620376.db2.gz LOELFJVDRPASOF-ZETCQYMHSA-N 0 3 321.255 1.599 20 5 DDBDHN CN(C)C[C@H](CO)Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001353204118 877184142 /nfs/dbraw/zinc/18/41/42/877184142.db2.gz SVUKNKFZLYXQKR-SECBINFHSA-N 0 3 307.272 1.948 20 5 DDBDHN CCCOCC(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001235137572 888431712 /nfs/dbraw/zinc/43/17/12/888431712.db2.gz OOSMUQMEGIJWSF-UHFFFAOYSA-N 0 3 323.393 1.960 20 5 DDBDHN O=C(NCCCN(Cc1cncs1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001266135795 903004878 /nfs/dbraw/zinc/00/48/78/903004878.db2.gz XWRGONRSUIDZRA-CHWSQXEVSA-N 0 3 324.406 1.279 20 5 DDBDHN O=[N+]([O-])c1ccc2[nH]c(CN3CCN(CC4CC4)CC3)nc2c1 ZINC000614261246 361777605 /nfs/dbraw/zinc/77/76/05/361777605.db2.gz DZHHJDBAUTZFTF-UHFFFAOYSA-N 0 3 315.377 1.999 20 5 DDBDHN CN1CC[C@@](O)(CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413244220 529801110 /nfs/dbraw/zinc/80/11/10/529801110.db2.gz ZFBPQJSEUZTPPB-OAHLLOKOSA-N 0 3 302.334 1.622 20 5 DDBDHN CCOC1CC(N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000286721963 219129581 /nfs/dbraw/zinc/12/95/81/219129581.db2.gz GIBLGZJIRVTOHA-ROKHWSDSSA-N 0 3 324.377 1.834 20 5 DDBDHN CN1C(=O)CC[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000424203314 530042554 /nfs/dbraw/zinc/04/25/54/530042554.db2.gz KBUCXEYXRCEWOA-FUEXJSSKSA-N 0 3 303.318 1.345 20 5 DDBDHN CN1CC[C@]2(CCN(c3nc4sccn4c3[N+](=O)[O-])C2)C1 ZINC000292391682 282355495 /nfs/dbraw/zinc/35/54/95/282355495.db2.gz UBIXIYLJJPBOGV-ZDUSSCGKSA-N 0 3 307.379 1.836 20 5 DDBDHN CCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000022992110 352181235 /nfs/dbraw/zinc/18/12/35/352181235.db2.gz MCAWMNWGEQFXJP-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN CN1CCC(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000023421608 352184570 /nfs/dbraw/zinc/18/45/70/352184570.db2.gz RAOXTUOUPCDSJI-UHFFFAOYSA-N 0 3 318.377 1.993 20 5 DDBDHN COCCN(C)CCCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000043346618 352365926 /nfs/dbraw/zinc/36/59/26/352365926.db2.gz NRDFZMGRESHPTJ-UHFFFAOYSA-N 0 3 324.381 1.993 20 5 DDBDHN CCN1CCC(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000048882745 352547224 /nfs/dbraw/zinc/54/72/24/352547224.db2.gz YGJXGLKHJDEGGZ-UHFFFAOYSA-N 0 3 320.349 1.134 20 5 DDBDHN CCN1CCN(C[C@@H](C)CNc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074741736 353327756 /nfs/dbraw/zinc/32/77/56/353327756.db2.gz AFSOFAUEUNBHOT-ZDUSSCGKSA-N 0 3 321.425 1.984 20 5 DDBDHN CN1CC[C@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 ZINC000346297768 283062597 /nfs/dbraw/zinc/06/25/97/283062597.db2.gz PJGCKEOKZKFGMJ-HNNXBMFYSA-N 0 3 307.325 1.902 20 5 DDBDHN CCN(CCN1CCCCCC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000346350123 283070204 /nfs/dbraw/zinc/07/02/04/283070204.db2.gz LJESXIKPMYRADO-UHFFFAOYSA-N 0 3 323.397 1.666 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C1 ZINC000590442268 355096398 /nfs/dbraw/zinc/09/63/98/355096398.db2.gz FCGFGKYRIZNOIE-SKDRFNHKSA-N 0 3 319.317 1.100 20 5 DDBDHN Cc1nn(CCC(=O)N2CCN[C@@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000592248315 355546680 /nfs/dbraw/zinc/54/66/80/355546680.db2.gz YVGNIIFBCGMRAQ-CYBMUJFWSA-N 0 3 323.397 1.255 20 5 DDBDHN CCN(CC)CCn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC000592349611 355564254 /nfs/dbraw/zinc/56/42/54/355564254.db2.gz PDAHJUWARMQJFO-UHFFFAOYSA-N 0 3 306.322 1.753 20 5 DDBDHN COc1cc(C(=O)N[C@H](CN)C(F)(F)F)cc([N+](=O)[O-])c1C ZINC000594451110 356221907 /nfs/dbraw/zinc/22/19/07/356221907.db2.gz JHHVFNIKGRZIOJ-SNVBAGLBSA-N 0 3 321.255 1.531 20 5 DDBDHN NC[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000594451317 356221931 /nfs/dbraw/zinc/22/19/31/356221931.db2.gz KFUFRDYGWRHHJF-JTQLQIEISA-N 0 3 321.255 1.370 20 5 DDBDHN Cc1ccc(CN[C@@H]2CCc3c(nnn3C)C2)cc1[N+](=O)[O-] ZINC000594515582 356241604 /nfs/dbraw/zinc/24/16/04/356241604.db2.gz NVZCBIGCBIPOPX-GFCCVEGCSA-N 0 3 301.350 1.679 20 5 DDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](F)[C@H](N)C2)c1 ZINC000595261350 356424533 /nfs/dbraw/zinc/42/45/33/356424533.db2.gz XMMCPDARWADANX-GHMZBOCLSA-N 0 3 313.354 1.828 20 5 DDBDHN N[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[C@H]1F ZINC000595263905 356425380 /nfs/dbraw/zinc/42/53/80/356425380.db2.gz WRMFITVHIXIURV-VXGBXAGGSA-N 0 3 310.329 1.218 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H]3COC[C@@H]3C2)c1 ZINC000595826597 356665906 /nfs/dbraw/zinc/66/59/06/356665906.db2.gz AWPAMPVMNJOSFM-KCQAQPDRSA-N 0 3 322.361 1.303 20 5 DDBDHN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCOC2(CNC2)C1 ZINC000596099245 356771276 /nfs/dbraw/zinc/77/12/76/356771276.db2.gz QKKKJVTVERYCOL-UHFFFAOYSA-N 0 3 311.725 1.063 20 5 DDBDHN COCCCN(C)CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596140327 356788840 /nfs/dbraw/zinc/78/88/40/356788840.db2.gz GJLZFGCBCDSKFC-UHFFFAOYSA-N 0 3 302.762 1.445 20 5 DDBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000596476845 356892471 /nfs/dbraw/zinc/89/24/71/356892471.db2.gz UGEBBEDYLAMQME-LBPRGKRZSA-N 0 3 308.382 1.784 20 5 DDBDHN C[C@H](CN1CCC(C)CC1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000596816586 356984622 /nfs/dbraw/zinc/98/46/22/356984622.db2.gz KGPGUZMOOLBBEW-GFCCVEGCSA-N 0 3 321.381 1.654 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@@H](C)N[C@@H](C)C1 ZINC000599110038 357818387 /nfs/dbraw/zinc/81/83/87/357818387.db2.gz CPRZJDMDBWBDHS-PHIMTYICSA-N 0 3 307.350 1.876 20 5 DDBDHN O=[N+]([O-])c1c(NCCN2CC[C@@H](O)C2)ccc2cnccc21 ZINC000599175416 357840064 /nfs/dbraw/zinc/84/00/64/357840064.db2.gz ATFBQXVQPDLBNZ-GFCCVEGCSA-N 0 3 302.334 1.622 20 5 DDBDHN Cn1cc(CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)nn1 ZINC000599311723 357888065 /nfs/dbraw/zinc/88/80/65/357888065.db2.gz JXSJARQMDRGRTN-UHFFFAOYSA-N 0 3 301.350 1.930 20 5 DDBDHN COC(=O)[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H]2CCC[C@@H]21 ZINC000599659044 358012696 /nfs/dbraw/zinc/01/26/96/358012696.db2.gz OAXNDBFFFKBLNB-MCIONIFRSA-N 0 3 322.365 1.455 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCC(N2CCCOCC2)CC1 ZINC000600007429 358102329 /nfs/dbraw/zinc/10/23/29/358102329.db2.gz QOOFZBSTGMUEKF-UHFFFAOYSA-N 0 3 323.349 1.515 20 5 DDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCN1C1CCCC1 ZINC000600469596 358232342 /nfs/dbraw/zinc/23/23/42/358232342.db2.gz CQUWBUNZCMNDQL-CYBMUJFWSA-N 0 3 321.381 1.315 20 5 DDBDHN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000348140478 283387201 /nfs/dbraw/zinc/38/72/01/283387201.db2.gz KWPXWTGAVQMREL-CHWSQXEVSA-N 0 3 321.377 1.962 20 5 DDBDHN O=C(N1CCCNCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602424921 358967388 /nfs/dbraw/zinc/96/73/88/358967388.db2.gz MXEREOJNUXQMHY-UHFFFAOYSA-N 0 3 303.362 1.838 20 5 DDBDHN C[C@@H]1C[C@H]1N1C[C@H](NCCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000602560461 359046010 /nfs/dbraw/zinc/04/60/10/359046010.db2.gz ZSBSGUNAZDOFJD-UXIGCNINSA-N 0 3 303.362 1.736 20 5 DDBDHN CO[C@@H]1COCC[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602677331 359120761 /nfs/dbraw/zinc/12/07/61/359120761.db2.gz XOYCOMXDIZTKPU-QMTHXVAHSA-N 0 3 321.333 1.877 20 5 DDBDHN O=C1[C@H](NCCc2ccc([N+](=O)[O-])cc2)C[C@H]2CCCCN12 ZINC000602687835 359125516 /nfs/dbraw/zinc/12/55/16/359125516.db2.gz MTOZMGRVFLMZIM-HUUCEWRRSA-N 0 3 303.362 1.880 20 5 DDBDHN CO[C@H](CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000602733100 359156133 /nfs/dbraw/zinc/15/61/33/359156133.db2.gz TUGOXEQDIPTDNH-APHBMKBZSA-N 0 3 324.377 1.443 20 5 DDBDHN Cn1cc(CN2CCCN(c3ccncc3)CC2)c([N+](=O)[O-])n1 ZINC000602851090 359238234 /nfs/dbraw/zinc/23/82/34/359238234.db2.gz YZFZHPFQCADEKR-UHFFFAOYSA-N 0 3 316.365 1.436 20 5 DDBDHN Cn1cc(CN[C@@H]2CCCC[C@@H]2N2CCOCC2)c([N+](=O)[O-])n1 ZINC000602813890 359209013 /nfs/dbraw/zinc/20/90/13/359209013.db2.gz AKBASYCXCCPUAZ-KGLIPLIRSA-N 0 3 323.397 1.061 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](C(=O)NC(C)C)C1 ZINC000602904260 359283950 /nfs/dbraw/zinc/28/39/50/359283950.db2.gz VRUXAUOCZMLZIR-ZDUSSCGKSA-N 0 3 323.397 1.336 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)C[C@@H]1CCCN1C ZINC000602960196 359322946 /nfs/dbraw/zinc/32/29/46/359322946.db2.gz KKSFRMKPBKXQSU-NSHDSACASA-N 0 3 307.354 1.278 20 5 DDBDHN CN(C)CCc1cn(CCOc2ccccc2[N+](=O)[O-])nn1 ZINC000603200490 359476174 /nfs/dbraw/zinc/47/61/74/359476174.db2.gz IQMJUPGRWYIMAS-UHFFFAOYSA-N 0 3 305.338 1.369 20 5 DDBDHN C[C@@H]1COCCN1C1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000603403026 359618572 /nfs/dbraw/zinc/61/85/72/359618572.db2.gz QRWIAHMHTSLZBM-LLVKDONJSA-N 0 3 322.365 1.385 20 5 DDBDHN CN(C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000604511241 359758928 /nfs/dbraw/zinc/75/89/28/359758928.db2.gz KAXJGFNHGVFRJJ-UHFFFAOYSA-N 0 3 309.351 1.667 20 5 DDBDHN CN(C)CC1(NC(=O)COc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000281122909 216095165 /nfs/dbraw/zinc/09/51/65/216095165.db2.gz SLNGRQBVJHNYGG-UHFFFAOYSA-N 0 3 307.350 1.574 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCCN(C[C@@H]3CCCO3)CC2)nc1 ZINC000610489100 360449561 /nfs/dbraw/zinc/44/95/61/360449561.db2.gz AYZDOHUFMDZDOW-AWEZNQCLSA-N 0 3 306.366 1.681 20 5 DDBDHN C[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000359029747 299311483 /nfs/dbraw/zinc/31/14/83/299311483.db2.gz SOWIHTXJBXYJCS-RYUDHWBXSA-N 0 3 321.381 1.796 20 5 DDBDHN Cc1ccncc1[C@@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000611939627 360862749 /nfs/dbraw/zinc/86/27/49/360862749.db2.gz SAIPGHGIPLZEJM-DGCLKSJQSA-N 0 3 305.338 1.206 20 5 DDBDHN CCO[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000612030392 360894634 /nfs/dbraw/zinc/89/46/34/360894634.db2.gz UMSDEWJTKNQMKR-KBPBESRZSA-N 0 3 324.377 1.835 20 5 DDBDHN C[C@H](Cn1cccn1)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000264836669 204195470 /nfs/dbraw/zinc/19/54/70/204195470.db2.gz FHIFJVCFYWSKBH-VXGBXAGGSA-N 0 3 317.349 1.797 20 5 DDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)Cn1cccn1 ZINC000282557775 217087399 /nfs/dbraw/zinc/08/73/99/217087399.db2.gz YACNZTLJNMTOCI-OAHLLOKOSA-N 0 3 304.350 1.327 20 5 DDBDHN COCCN(CCN(C)C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000104556457 194015744 /nfs/dbraw/zinc/01/57/44/194015744.db2.gz RHSOYUVQVMOJPP-UHFFFAOYSA-N 0 3 324.381 1.043 20 5 DDBDHN COC(=O)[C@@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000340407407 251051902 /nfs/dbraw/zinc/05/19/02/251051902.db2.gz KSMBDZAHCOCBFD-GFCCVEGCSA-N 0 3 308.334 1.859 20 5 DDBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000341052807 251357368 /nfs/dbraw/zinc/35/73/68/251357368.db2.gz FXHDSUSTZANVNR-VXGBXAGGSA-N 0 3 309.370 1.170 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000341062319 251362412 /nfs/dbraw/zinc/36/24/12/251362412.db2.gz PTDMHUDCRINCOH-TXEJJXNPSA-N 0 3 323.397 1.479 20 5 DDBDHN CC1(C)SC[C@@H]1NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567708853 304236069 /nfs/dbraw/zinc/23/60/69/304236069.db2.gz XXRSJUBJDJCURR-AAEUAGOBSA-N 0 3 312.391 1.818 20 5 DDBDHN COc1cc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352404118 285027909 /nfs/dbraw/zinc/02/79/09/285027909.db2.gz CGCLMCGKIYZDIR-JQWIXIFHSA-N 0 3 307.350 1.689 20 5 DDBDHN CCC[C@]1(CO)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000288754319 220394000 /nfs/dbraw/zinc/39/40/00/220394000.db2.gz IGOBWFDBXGGZND-HNNXBMFYSA-N 0 3 309.366 1.241 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC2CC(F)(F)C2)c1 ZINC000568078295 304267185 /nfs/dbraw/zinc/26/71/85/304267185.db2.gz MLJSIOZEJRAUGV-NSHDSACASA-N 0 3 302.277 1.722 20 5 DDBDHN CC(C)[C@](C)(CO)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000352894000 285367721 /nfs/dbraw/zinc/36/77/21/285367721.db2.gz QOYAIRNJFYDKAI-HNNXBMFYSA-N 0 3 310.350 1.958 20 5 DDBDHN C[C@H]1CCN[C@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000570035638 304391447 /nfs/dbraw/zinc/39/14/47/304391447.db2.gz OLLAPTWTLWHMSI-FZMZJTMJSA-N 0 3 307.350 1.478 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)N1CCN(CC)CC1 ZINC000360960361 299783173 /nfs/dbraw/zinc/78/31/73/299783173.db2.gz KUBXSIUFUJEOLK-LBPRGKRZSA-N 0 3 324.429 1.558 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCCC[NH2+]1 ZINC000044492701 407024542 /nfs/dbraw/zinc/02/45/42/407024542.db2.gz BTAOATIAJIKIOO-NSHDSACASA-N 0 3 313.379 1.324 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000081573399 407077577 /nfs/dbraw/zinc/07/75/77/407077577.db2.gz GWEXASAPDQAIKV-KCXAZCMYSA-N 0 3 316.361 1.845 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(Cc2ccncc2)C2CC2)c1 ZINC000124861086 407372011 /nfs/dbraw/zinc/37/20/11/407372011.db2.gz BAPWVLVMJVBGOC-OAHLLOKOSA-N 0 3 317.349 1.212 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](N(C)C)C1 ZINC000109808095 407398104 /nfs/dbraw/zinc/39/81/04/407398104.db2.gz IKEGSGFHYNYGMY-ZDUSSCGKSA-N 0 3 320.393 1.868 20 5 DDBDHN CCCCN(C)CCNC(=O)c1[nH]nc(CCC)c1[N+](=O)[O-] ZINC000112401144 407428139 /nfs/dbraw/zinc/42/81/39/407428139.db2.gz QQZHLJPQQFKRNZ-UHFFFAOYSA-N 0 3 311.386 1.732 20 5 DDBDHN CC(C)CN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000185592444 407457736 /nfs/dbraw/zinc/45/77/36/407457736.db2.gz BBHFTWPBBIMRIZ-LLVKDONJSA-N 0 3 321.381 1.422 20 5 DDBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN2CCC[C@@H]2C1 ZINC000178632977 407520605 /nfs/dbraw/zinc/52/06/05/407520605.db2.gz OTVMHRMIFUDWKR-QWHCGFSZSA-N 0 3 318.377 1.702 20 5 DDBDHN COCCNCCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000271119766 407526131 /nfs/dbraw/zinc/52/61/31/407526131.db2.gz JEIAYBSMRRLEJY-UHFFFAOYSA-N 0 3 324.381 1.139 20 5 DDBDHN C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCOC1 ZINC000266192286 407533513 /nfs/dbraw/zinc/53/35/13/407533513.db2.gz ZBJITSIISFHXKH-WDEREUQCSA-N 0 3 308.334 1.976 20 5 DDBDHN COCCN(C)CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171199289 407628629 /nfs/dbraw/zinc/62/86/29/407628629.db2.gz WPBRHQNSJOCWDS-GFCCVEGCSA-N 0 3 324.381 1.533 20 5 DDBDHN CN(C(=O)CNC1(CO)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000179062987 407711255 /nfs/dbraw/zinc/71/12/55/407711255.db2.gz SUCUDKNGONNVMO-UHFFFAOYSA-N 0 3 307.350 1.452 20 5 DDBDHN CN(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267056446 407733507 /nfs/dbraw/zinc/73/35/07/407733507.db2.gz AVWGRFRTABQBSR-AWEZNQCLSA-N 0 3 309.391 1.762 20 5 DDBDHN CC[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182318293 306703828 /nfs/dbraw/zinc/70/38/28/306703828.db2.gz VCAWSZZXMRKBRZ-JSGCOSHPSA-N 0 3 307.350 1.741 20 5 DDBDHN CN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000153721150 407888043 /nfs/dbraw/zinc/88/80/43/407888043.db2.gz CGXSTGQGPRJLKX-ZDUSSCGKSA-N 0 3 320.393 1.949 20 5 DDBDHN C[C@@H](C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000272554504 407979731 /nfs/dbraw/zinc/97/97/31/407979731.db2.gz PCLGCJPKBBZFDS-VIFPVBQESA-N 0 3 301.293 1.753 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000268158911 407920325 /nfs/dbraw/zinc/92/03/25/407920325.db2.gz HNJFNEJZLORCAO-UFBFGSQYSA-N 0 3 322.340 1.529 20 5 DDBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000245638994 408032326 /nfs/dbraw/zinc/03/23/26/408032326.db2.gz ARJHYFJUWAIJNK-AXFHLTTASA-N 0 3 309.370 1.414 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCN(CC3CCCCC3)CC2)c1 ZINC000174834506 407995936 /nfs/dbraw/zinc/99/59/36/407995936.db2.gz WCKZRMYUDSGBGV-UHFFFAOYSA-N 0 3 321.425 1.989 20 5 DDBDHN COc1cc(C(=O)N2C[C@H](C)NC[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000272589900 407998987 /nfs/dbraw/zinc/99/89/87/407998987.db2.gz PJBRRXIBHNBZRP-UWVGGRQHSA-N 0 3 323.349 1.434 20 5 DDBDHN C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272738697 408012337 /nfs/dbraw/zinc/01/23/37/408012337.db2.gz CLEHEUDGEADIMX-JTQLQIEISA-N 0 3 304.350 1.557 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269333257 408274538 /nfs/dbraw/zinc/27/45/38/408274538.db2.gz AUCGKSRMPUCEEX-WDEREUQCSA-N 0 3 323.397 1.900 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000134916888 162090652 /nfs/dbraw/zinc/09/06/52/162090652.db2.gz KSAGSJCWHRTRND-CZUORRHYSA-N 0 3 319.409 1.740 20 5 DDBDHN CC(=O)NCC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269666825 408384309 /nfs/dbraw/zinc/38/43/09/408384309.db2.gz MAXCLLKMVMXSEC-MRXNPFEDSA-N 0 3 321.377 1.476 20 5 DDBDHN Cc1nc(N[C@@H](C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000274526599 408437312 /nfs/dbraw/zinc/43/73/12/408437312.db2.gz XUQOYQFZNHZADF-LBPRGKRZSA-N 0 3 307.398 1.736 20 5 DDBDHN Cc1c(C(=O)NC[C@H](O)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000160673489 408510963 /nfs/dbraw/zinc/51/09/63/408510963.db2.gz CBEBNCOOSXWGAY-ZDUSSCGKSA-N 0 3 321.377 1.480 20 5 DDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000269923804 408470133 /nfs/dbraw/zinc/47/01/33/408470133.db2.gz QLTCXODEFARGKI-HNNXBMFYSA-N 0 3 320.349 1.119 20 5 DDBDHN CN(C)C/C=C/C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000264621092 408545033 /nfs/dbraw/zinc/54/50/33/408545033.db2.gz LACTWLBHOFPJQT-VMPITWQZSA-N 0 3 318.377 1.361 20 5 DDBDHN Cn1cc(CNC[C@@H](O)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000265213159 408579933 /nfs/dbraw/zinc/57/99/33/408579933.db2.gz DSKWLCKTFQAVTF-OAHLLOKOSA-N 0 3 316.361 1.856 20 5 DDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000184379679 408603991 /nfs/dbraw/zinc/60/39/91/408603991.db2.gz DGVFQXJCGYBHLI-NSHDSACASA-N 0 3 319.365 1.272 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC(OC[C@@H]3CCCO3)CC2)n1 ZINC000177448469 408621362 /nfs/dbraw/zinc/62/13/62/408621362.db2.gz WCLFZAAXZOIKIA-AWEZNQCLSA-N 0 3 324.381 1.451 20 5 DDBDHN Cc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c(CN(C)C)c1 ZINC000270796618 408686570 /nfs/dbraw/zinc/68/65/70/408686570.db2.gz MUEZVQFSBMXUNP-UHFFFAOYSA-N 0 3 317.349 1.951 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249733598 408760475 /nfs/dbraw/zinc/76/04/75/408760475.db2.gz CLDIVELLORBZQE-MNOVXSKESA-N 0 3 323.397 1.487 20 5 DDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1(N(C)C)CCC1 ZINC000276048507 408760998 /nfs/dbraw/zinc/76/09/98/408760998.db2.gz UCDFNERVJSAXSN-UHFFFAOYSA-N 0 3 320.393 1.875 20 5 DDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN(C)CC ZINC000290825381 408839044 /nfs/dbraw/zinc/83/90/44/408839044.db2.gz PBCZREVIBVJNAO-UHFFFAOYSA-N 0 3 322.365 1.164 20 5 DDBDHN C[C@@H]1NCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000277477098 408948806 /nfs/dbraw/zinc/94/88/06/408948806.db2.gz LKPPIFFVINVBSQ-UWVGGRQHSA-N 0 3 311.313 1.322 20 5 DDBDHN CCN1CC[C@H]2OCCN(Cc3csc([N+](=O)[O-])c3)[C@H]2C1 ZINC000293351445 409096988 /nfs/dbraw/zinc/09/69/88/409096988.db2.gz TWECKCWIRXRMQP-QWHCGFSZSA-N 0 3 311.407 1.951 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000294082090 409237933 /nfs/dbraw/zinc/23/79/33/409237933.db2.gz JTDZTCLQKWGBDA-AWEZNQCLSA-N 0 3 307.354 1.184 20 5 DDBDHN Cc1[nH]nc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000294082090 409237934 /nfs/dbraw/zinc/23/79/34/409237934.db2.gz JTDZTCLQKWGBDA-AWEZNQCLSA-N 0 3 307.354 1.184 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CC[C@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000294155094 409251133 /nfs/dbraw/zinc/25/11/33/409251133.db2.gz NRNGRPJOVWPALH-OAHLLOKOSA-N 0 3 321.381 1.438 20 5 DDBDHN CCCN[C@H](C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000295525706 409330599 /nfs/dbraw/zinc/33/05/99/409330599.db2.gz WFGRQZRGEYIIRL-SECBINFHSA-N 0 3 309.322 1.708 20 5 DDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CN(C)C ZINC000290583941 409453607 /nfs/dbraw/zinc/45/36/07/409453607.db2.gz UUHBKCYQXSVESF-JTQLQIEISA-N 0 3 322.365 1.162 20 5 DDBDHN CS[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296233486 409473987 /nfs/dbraw/zinc/47/39/87/409473987.db2.gz KTIWJEMKZCPREF-RYUDHWBXSA-N 0 3 312.391 1.772 20 5 DDBDHN CC[C@H](CNS(C)(=O)=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296506313 409589747 /nfs/dbraw/zinc/58/97/47/409589747.db2.gz PHPRZTZLQVRMNA-CMPLNLGQSA-N 0 3 315.395 1.573 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000342452880 409643309 /nfs/dbraw/zinc/64/33/09/409643309.db2.gz QPLOYVQMBSLFLY-AAEUAGOBSA-N 0 3 319.361 1.573 20 5 DDBDHN CN1CC[C@@H]2OCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC000296854703 409671435 /nfs/dbraw/zinc/67/14/35/409671435.db2.gz UMCMRHATTRNQIO-KBPBESRZSA-N 0 3 317.349 1.380 20 5 DDBDHN C[C@@H]1[C@@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1C ZINC000357041240 409810988 /nfs/dbraw/zinc/81/09/88/409810988.db2.gz QMAHKHJNKVKHEN-GHMZBOCLSA-N 0 3 306.366 1.218 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CCN1C ZINC000357392604 410011092 /nfs/dbraw/zinc/01/10/92/410011092.db2.gz OAOIUFQQRAXKPC-QWHCGFSZSA-N 0 3 320.393 1.996 20 5 DDBDHN C[C@@H]1CCCN(CCNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000298691286 410349042 /nfs/dbraw/zinc/34/90/42/410349042.db2.gz CVJAFCSXMLHQPU-SNVBAGLBSA-N 0 3 307.354 1.233 20 5 DDBDHN C[C@@H]1C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])[n-]2)C[C@@H](C)O1 ZINC000298842985 410420899 /nfs/dbraw/zinc/42/08/99/410420899.db2.gz IMKLYGUKAZJWAE-GHMZBOCLSA-N 0 3 310.354 1.152 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000359595207 410758425 /nfs/dbraw/zinc/75/84/25/410758425.db2.gz OWGLSYRXYFETGJ-MNOVXSKESA-N 0 3 313.427 1.601 20 5 DDBDHN Cc1n[nH]c(C(=O)N(CCN(C)C)C2CCCCC2)c1[N+](=O)[O-] ZINC000347889536 410779052 /nfs/dbraw/zinc/77/90/52/410779052.db2.gz FYLSQLSAXYRSAB-UHFFFAOYSA-N 0 3 323.397 1.963 20 5 DDBDHN Cc1[nH]nc(C(=O)N(CCN(C)C)C2CCCCC2)c1[N+](=O)[O-] ZINC000347889536 410779057 /nfs/dbraw/zinc/77/90/57/410779057.db2.gz FYLSQLSAXYRSAB-UHFFFAOYSA-N 0 3 323.397 1.963 20 5 DDBDHN NC(=O)[C@H]1CCCN1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000301958724 410835286 /nfs/dbraw/zinc/83/52/86/410835286.db2.gz LQJSMYGJTCKFMK-OAHLLOKOSA-N 0 3 318.377 1.513 20 5 DDBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000341068136 410880003 /nfs/dbraw/zinc/88/00/03/410880003.db2.gz YCTMWNUAEPMJRT-TXEJJXNPSA-N 0 3 309.370 1.170 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCCN1CCCC(C)(C)C1 ZINC000331296762 411064743 /nfs/dbraw/zinc/06/47/43/411064743.db2.gz OGVFEFXQMKQDMS-UHFFFAOYSA-N 0 3 309.370 1.180 20 5 DDBDHN COCCCN1CCC(Nc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000295638398 225071657 /nfs/dbraw/zinc/07/16/57/225071657.db2.gz YAVLEIICGFZCRV-UHFFFAOYSA-N 0 3 309.370 1.606 20 5 DDBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](C)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000295865127 225326491 /nfs/dbraw/zinc/32/64/91/225326491.db2.gz YNAJFPUBUHREQJ-USWWRNFRSA-N 0 3 309.366 1.837 20 5 DDBDHN COCCCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCN(C)CC1 ZINC000291289178 222289411 /nfs/dbraw/zinc/28/94/11/222289411.db2.gz SKYBCJAYDMTRQO-UHFFFAOYSA-N 0 3 324.381 1.496 20 5 DDBDHN CNC(=O)C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000361628042 418693720 /nfs/dbraw/zinc/69/37/20/418693720.db2.gz GODGRGXJKIHLCC-CQSZACIVSA-N 0 3 317.349 1.258 20 5 DDBDHN C[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000371350439 418782162 /nfs/dbraw/zinc/78/21/62/418782162.db2.gz RZNLTGNBIGBKAX-KBPBESRZSA-N 0 3 319.409 1.452 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@H]21 ZINC000371559693 418800326 /nfs/dbraw/zinc/80/03/26/418800326.db2.gz AHDIACKQTAIOBH-ZWNOBZJWSA-N 0 3 304.350 1.343 20 5 DDBDHN C[C@@H]1CCN[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000423185238 227391868 /nfs/dbraw/zinc/39/18/68/227391868.db2.gz NDWMHOWAEOTPAW-ABAIWWIYSA-N 0 3 303.362 1.868 20 5 DDBDHN C[C@@H](CO)N1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000364932853 418825307 /nfs/dbraw/zinc/82/53/07/418825307.db2.gz KRYWPAUYNHKPAH-ZDUSSCGKSA-N 0 3 321.377 1.052 20 5 DDBDHN COc1c(C(=O)N(C)C[C@@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000421711926 419696984 /nfs/dbraw/zinc/69/69/84/419696984.db2.gz PKHYHDPDUDAWGP-NSHDSACASA-N 0 3 307.350 1.770 20 5 DDBDHN CNc1nc(C(=O)N(C)C[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000422032233 419818638 /nfs/dbraw/zinc/81/86/38/419818638.db2.gz FCOASEBGMXDZJM-SNVBAGLBSA-N 0 3 307.354 1.198 20 5 DDBDHN COCCNCCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415293551 420010780 /nfs/dbraw/zinc/01/07/80/420010780.db2.gz IVXWKZQDOCXPCQ-UHFFFAOYSA-N 0 3 310.354 1.569 20 5 DDBDHN CNC(=O)[C@@]1(C)CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000430280255 420102355 /nfs/dbraw/zinc/10/23/55/420102355.db2.gz VPRBDNVJBDZSLS-HNNXBMFYSA-N 0 3 307.350 1.561 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H](CO)C1CCOCC1 ZINC000430207142 420090079 /nfs/dbraw/zinc/09/00/79/420090079.db2.gz QFHQBMJUDVUHHO-CQSZACIVSA-N 0 3 310.350 1.481 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)CCC[NH3+])c1[N+](=O)[O-] ZINC000420434441 420283681 /nfs/dbraw/zinc/28/36/81/420283681.db2.gz FCCRBOSAEUMDBZ-LLVKDONJSA-N 0 3 315.395 1.617 20 5 DDBDHN Cc1nn(C)c(C(=O)NCc2ccc3c(c2)CNC3)c1[N+](=O)[O-] ZINC000444259700 230069768 /nfs/dbraw/zinc/06/97/68/230069768.db2.gz YDWIGTGYKWZSMQ-UHFFFAOYSA-N 0 3 315.333 1.170 20 5 DDBDHN CC(C)N1CC[C@@H](N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000452123214 420623283 /nfs/dbraw/zinc/62/32/83/420623283.db2.gz VIKUPPZXNZFQNA-CYBMUJFWSA-N 0 3 320.393 1.948 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000493134898 420765156 /nfs/dbraw/zinc/76/51/56/420765156.db2.gz WAAYCDOUBMNUSO-QEAXDZPNSA-N 0 3 301.346 1.771 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000493157645 420772387 /nfs/dbraw/zinc/77/23/87/420772387.db2.gz OLPNVXGBMRMFLU-DKIZZRPMSA-N 0 3 301.346 1.771 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459657314 420841501 /nfs/dbraw/zinc/84/15/01/420841501.db2.gz FQDQOCPPLVNBHD-KGLIPLIRSA-N 0 3 319.361 1.257 20 5 DDBDHN Cn1cnc(CCN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000447584093 420784234 /nfs/dbraw/zinc/78/42/34/420784234.db2.gz DQVRFEHWRJEUQE-AWEZNQCLSA-N 0 3 301.350 1.933 20 5 DDBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3(CO)CCSCC3)nc2c1 ZINC000459702757 420850528 /nfs/dbraw/zinc/85/05/28/420850528.db2.gz RTBJYIMRFQHQFA-UHFFFAOYSA-N 0 3 322.390 1.819 20 5 DDBDHN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CNCCC1(F)F ZINC000493599521 420894551 /nfs/dbraw/zinc/89/45/51/420894551.db2.gz SYNWPIRHXVPXKH-ZYOFXKKJSA-N 0 3 311.288 1.721 20 5 DDBDHN Cc1nc(NC[C@H](Cc2ccccc2)N(C)C)ncc1[N+](=O)[O-] ZINC000450213030 421164536 /nfs/dbraw/zinc/16/45/36/421164536.db2.gz FPEHAPXFNZTECM-AWEZNQCLSA-N 0 3 315.377 2.278 20 5 DDBDHN CN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000523435962 421238864 /nfs/dbraw/zinc/23/88/64/421238864.db2.gz ZALUSHDFXLQAMH-OAHLLOKOSA-N 0 3 318.377 1.973 20 5 DDBDHN CC(C)N(Cc1ccccn1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000525782933 421300968 /nfs/dbraw/zinc/30/09/68/421300968.db2.gz HBGSRULPXSNCLH-HNNXBMFYSA-N 0 3 319.365 1.458 20 5 DDBDHN Cc1nc(NCCCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000532368736 421657661 /nfs/dbraw/zinc/65/76/61/421657661.db2.gz GLHGFWNLOQYAPA-UHFFFAOYSA-N 0 3 307.398 1.738 20 5 DDBDHN CN1CCN(CCCCNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000571144997 421691307 /nfs/dbraw/zinc/69/13/07/421691307.db2.gz JJXIBHVZOUAIJZ-UHFFFAOYSA-N 0 3 311.361 1.568 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000542778314 421828792 /nfs/dbraw/zinc/82/87/92/421828792.db2.gz KUWDZIAQYYHDGQ-ZFWWWQNUSA-N 0 3 318.377 1.830 20 5 DDBDHN C[C@@H](CN1CCN(C)CC1)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572422985 421786820 /nfs/dbraw/zinc/78/68/20/421786820.db2.gz NYKVOLPWCDIQIX-XJKSGUPXSA-N 0 3 318.421 1.808 20 5 DDBDHN C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000577294244 422384155 /nfs/dbraw/zinc/38/41/55/422384155.db2.gz MGMOGRLPXSVXFO-QWRGUYRKSA-N 0 3 321.381 1.565 20 5 DDBDHN Nc1nccc(C(=O)NC[C@@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000600469294 422411175 /nfs/dbraw/zinc/41/11/75/422411175.db2.gz JCDYSLYCGFVORQ-NSHDSACASA-N 0 3 319.365 1.319 20 5 DDBDHN CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](CN)C1 ZINC000579235364 422730104 /nfs/dbraw/zinc/73/01/04/422730104.db2.gz HRCKGEYTWMUTGR-LBPRGKRZSA-N 0 3 318.333 1.056 20 5 DDBDHN CC(C)C[C@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000320276698 271025486 /nfs/dbraw/zinc/02/54/86/271025486.db2.gz VJWCGBXWKRSOMZ-ZDUSSCGKSA-N 0 3 321.381 1.012 20 5 DDBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1N(C)C ZINC000413204623 274183346 /nfs/dbraw/zinc/18/33/46/274183346.db2.gz JGXOEODFTULHRM-GHMZBOCLSA-N 0 3 300.359 1.611 20 5 DDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC1CCN(C2CC2)CC1 ZINC000298273576 274940283 /nfs/dbraw/zinc/94/02/83/274940283.db2.gz CESADJJEJLUANT-UHFFFAOYSA-N 0 3 305.338 1.127 20 5 DDBDHN O=[N+]([O-])c1c(N2CCCN(C3CC3)CC2)nc2sccn21 ZINC000057857711 275032708 /nfs/dbraw/zinc/03/27/08/275032708.db2.gz ZTGSUYKSITVQNS-UHFFFAOYSA-N 0 3 307.379 1.979 20 5 DDBDHN C[C@@H](CC[NH3+])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000336813460 278231063 /nfs/dbraw/zinc/23/10/63/278231063.db2.gz CNQGBVNAQGVBFB-ZETCQYMHSA-N 0 3 307.759 1.264 20 5 DDBDHN C[C@@H](CN1CCOCC1)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000279723159 278262963 /nfs/dbraw/zinc/26/29/63/278262963.db2.gz MCQSLXKZMJXTSB-AWEZNQCLSA-N 0 3 323.393 1.626 20 5 DDBDHN Cc1c(C(=O)N2CCCNCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000237743252 280205378 /nfs/dbraw/zinc/20/53/78/280205378.db2.gz DTICSVVXHXXHCP-UHFFFAOYSA-N 0 3 322.321 1.555 20 5 DDBDHN CNc1ccc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000323707577 298261479 /nfs/dbraw/zinc/26/14/79/298261479.db2.gz JYZZKQMROPUFIJ-MRXNPFEDSA-N 0 3 318.377 1.804 20 5 DDBDHN CNc1ccc(C(=O)NC[C@@](C)(O)CCN(C)C)cc1[N+](=O)[O-] ZINC000574624717 304668873 /nfs/dbraw/zinc/66/88/73/304668873.db2.gz VKUGALODXZBSGZ-HNNXBMFYSA-N 0 3 324.381 1.069 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000368504816 301043570 /nfs/dbraw/zinc/04/35/70/301043570.db2.gz SDICCRDUEXHITK-CZUORRHYSA-N 0 3 319.361 1.750 20 5 DDBDHN Cc1c(CC(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000368587741 301059338 /nfs/dbraw/zinc/05/93/38/301059338.db2.gz DRYJEIJFSCZHAM-XJKSGUPXSA-N 0 3 317.389 1.998 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000371825247 301503580 /nfs/dbraw/zinc/50/35/80/301503580.db2.gz QTCZJRGJJODYSE-HOTGVXAUSA-N 0 3 305.378 1.939 20 5 DDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)N1CCCC[C@H]1C ZINC000532134480 303276357 /nfs/dbraw/zinc/27/63/57/303276357.db2.gz ZCMFMQXNBZBRBK-VXGBXAGGSA-N 0 3 306.366 1.983 20 5 DDBDHN COC(=O)NCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000496532086 307348504 /nfs/dbraw/zinc/34/85/04/307348504.db2.gz ZJAOVOWUMIOQSH-PRHODGIISA-N 0 3 314.269 1.431 20 5 DDBDHN CC(COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C)[N+](=O)[O-] ZINC000496902900 307367976 /nfs/dbraw/zinc/36/79/76/307367976.db2.gz PFTZKKRANYHQSW-GMTAPVOTSA-N 0 3 316.354 1.840 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(CCCn3ccnc3)CC2)cn1 ZINC000561360009 307926424 /nfs/dbraw/zinc/92/64/24/307926424.db2.gz OTROTBNLFNOYFD-UHFFFAOYSA-N 0 3 316.365 1.399 20 5 DDBDHN O=C(CCN[C@@H]1CC[S@@](=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000564848269 308008386 /nfs/dbraw/zinc/00/83/86/308008386.db2.gz DTCFSVSCUYNWST-LADRHHBVSA-N 0 3 311.363 1.034 20 5 DDBDHN C[C@@H](CN1CCOCC1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577529766 308396478 /nfs/dbraw/zinc/39/64/78/308396478.db2.gz YZOQZTFUZDCTPP-WFASDCNBSA-N 0 3 305.378 1.892 20 5 DDBDHN CC1(C)[C@@H](O)C[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000578080377 308435735 /nfs/dbraw/zinc/43/57/35/308435735.db2.gz VCIPYLUFEUKSNS-KBPBESRZSA-N 0 3 319.361 1.233 20 5 DDBDHN CNc1ccc(C(=O)N[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000580833137 308634641 /nfs/dbraw/zinc/63/46/41/308634641.db2.gz WTMGMRPZDILFDX-NSHDSACASA-N 0 3 314.292 1.364 20 5 DDBDHN CCOC(=O)[C@@H]1NCC[C@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000422795720 527908821 /nfs/dbraw/zinc/90/88/21/527908821.db2.gz WJFMQIBSNFUSBB-TZMCWYRMSA-N 0 3 307.350 1.021 20 5 DDBDHN CC[C@@H](NCCN1C(=O)N[C@H](C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000459392958 529164344 /nfs/dbraw/zinc/16/43/44/529164344.db2.gz XAHILMXUBKWYFG-ZWNOBZJWSA-N 0 3 320.349 1.576 20 5 DDBDHN CC[NH+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736533759 598500496 /nfs/dbraw/zinc/50/04/96/598500496.db2.gz KMBKYTWNCNGPNP-VIFPVBQESA-N 0 3 320.357 1.312 20 5 DDBDHN CC[NH+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736533759 598500498 /nfs/dbraw/zinc/50/04/98/598500498.db2.gz KMBKYTWNCNGPNP-VIFPVBQESA-N 0 3 320.357 1.312 20 5 DDBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@@H+]1C ZINC000820664754 599588648 /nfs/dbraw/zinc/58/86/48/599588648.db2.gz BQDHMOSQSCXTNL-NXEZZACHSA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[N@H+]1C ZINC000820664754 599588651 /nfs/dbraw/zinc/58/86/51/599588651.db2.gz BQDHMOSQSCXTNL-NXEZZACHSA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@@H+]1C ZINC000820664754 599588653 /nfs/dbraw/zinc/58/86/53/599588653.db2.gz BQDHMOSQSCXTNL-NXEZZACHSA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[N@H+]1C ZINC000820664754 599588654 /nfs/dbraw/zinc/58/86/54/599588654.db2.gz BQDHMOSQSCXTNL-NXEZZACHSA-N 0 3 317.353 1.670 20 5 DDBDHN CC(COC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)[N+](=O)[O-] ZINC000797278284 700002627 /nfs/dbraw/zinc/00/26/27/700002627.db2.gz DUWQGXPIEKZCAF-ZNSHCXBVSA-N 0 3 314.338 1.308 20 5 DDBDHN O=[N+]([O-])c1ccc(Br)c(OC[C@@H]2CNCCO2)c1 ZINC000230804169 697784960 /nfs/dbraw/zinc/78/49/60/697784960.db2.gz YFEGHZONILMZBR-VIFPVBQESA-N 0 3 317.139 1.725 20 5 DDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731455911 699529195 /nfs/dbraw/zinc/52/91/95/699529195.db2.gz XGRXQMVBAAUZTA-OCCSQVGLSA-N 0 3 323.324 1.327 20 5 DDBDHN CC(C)(C(=O)OCCN1CCCCC1)n1cc([N+](=O)[O-])cn1 ZINC000770361479 701275260 /nfs/dbraw/zinc/27/52/60/701275260.db2.gz SOWUTYZRHBCZGB-UHFFFAOYSA-N 0 3 310.354 1.556 20 5 DDBDHN CC(C)N(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC(=O)N1 ZINC000839670015 701774542 /nfs/dbraw/zinc/77/45/42/701774542.db2.gz REVCMAGDSHXZLG-UKRRQHHQSA-N 0 3 321.377 1.617 20 5 DDBDHN COc1cc(OCC(=O)OCC(C)[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000813106564 702292987 /nfs/dbraw/zinc/29/29/87/702292987.db2.gz DSKBHVCSUGDCAP-QMMMGPOBSA-N 0 3 314.250 1.191 20 5 DDBDHN Cc1ccc(CN2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813106641 702294121 /nfs/dbraw/zinc/29/41/21/702294121.db2.gz FXUKSBHFRBZBIR-OCCSQVGLSA-N 0 3 320.345 1.552 20 5 DDBDHN Cc1ccc(CN2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813106643 702294477 /nfs/dbraw/zinc/29/44/77/702294477.db2.gz FXUKSBHFRBZBIR-TZMCWYRMSA-N 0 3 320.345 1.552 20 5 DDBDHN CC(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)[N+](=O)[O-] ZINC000813108266 702294895 /nfs/dbraw/zinc/29/48/95/702294895.db2.gz CLZRXRCYOCVUQG-ZJUUUORDSA-N 0 3 310.281 1.387 20 5 DDBDHN CC(COC(=O)CN1c2ccccc2O[C@H](C)C1=O)[N+](=O)[O-] ZINC000813113626 702298449 /nfs/dbraw/zinc/29/84/49/702298449.db2.gz HEFBROYRXDZWRH-VHSXEESVSA-N 0 3 308.290 1.009 20 5 DDBDHN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113946 702299089 /nfs/dbraw/zinc/29/90/89/702299089.db2.gz WTJWLKBJMDEEGR-YGRLFVJLSA-N 0 3 306.318 1.168 20 5 DDBDHN CC1(C)CNCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000818524753 702659065 /nfs/dbraw/zinc/65/90/65/702659065.db2.gz RGZIQGWCAXHWDZ-UHFFFAOYSA-N 0 3 308.294 1.327 20 5 DDBDHN CC([C@H](OC(=O)[C@@H]1COCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845873152 703211434 /nfs/dbraw/zinc/21/14/34/703211434.db2.gz BUOFEQXHVSTHEX-ICCXJUOJSA-N 0 3 313.281 1.491 20 5 DDBDHN Cn1cc([C@H](O)CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000848527953 703561415 /nfs/dbraw/zinc/56/14/15/703561415.db2.gz AUEMPUAATBJHMB-UKRRQHHQSA-N 0 3 302.334 1.639 20 5 DDBDHN Cc1cccc(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)c1[N+](=O)[O-] ZINC000869784698 703852550 /nfs/dbraw/zinc/85/25/50/703852550.db2.gz NBAAFPHGXIPWFC-LBPRGKRZSA-N 0 3 321.377 1.478 20 5 DDBDHN Cc1nc([C@H]2CCOC2)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000870376344 704014870 /nfs/dbraw/zinc/01/48/70/704014870.db2.gz GUJPYCGKYYPURF-CBAPKCEASA-N 0 3 300.336 1.777 20 5 DDBDHN CC(COC(=O)[C@@H]1c2ccccc2C(=O)OC1(C)C)[N+](=O)[O-] ZINC000870378471 704015258 /nfs/dbraw/zinc/01/52/58/704015258.db2.gz XFHXDFZFGCOXDA-CABZTGNLSA-N 0 3 307.302 1.928 20 5 DDBDHN CN(C)c1ncc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)n1C ZINC000819062271 704063688 /nfs/dbraw/zinc/06/36/88/704063688.db2.gz CTVYMNXZLYVRKR-AWEZNQCLSA-N 0 3 319.365 1.218 20 5 DDBDHN CCS(=O)(=O)CCCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819367461 704113923 /nfs/dbraw/zinc/11/39/23/704113923.db2.gz HMFWTGRJZGVJJI-ZDUSSCGKSA-N 0 3 316.379 1.043 20 5 DDBDHN CN(CC1CN(C)C1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000853552744 704266734 /nfs/dbraw/zinc/26/67/34/704266734.db2.gz DOIGLBJDLMRAKG-UHFFFAOYSA-N 0 3 316.365 1.304 20 5 DDBDHN O=[N+]([O-])c1ccn(C2CCN(c3ccnc(CO)c3)CC2)n1 ZINC000858519125 704721608 /nfs/dbraw/zinc/72/16/08/704721608.db2.gz SINYJJJKQZJMEC-UHFFFAOYSA-N 0 3 303.322 1.520 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874848152 705201355 /nfs/dbraw/zinc/20/13/55/705201355.db2.gz RUWYMZWEGNRLQP-ZIAGYGMSSA-N 0 3 304.350 1.607 20 5 DDBDHN Nc1ccc(NC(=O)NCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000824003084 705353205 /nfs/dbraw/zinc/35/32/05/705353205.db2.gz OGJFRFAIPCYILJ-UHFFFAOYSA-N 0 3 307.354 1.784 20 5 DDBDHN CCN1CCCC[C@@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825830353 705735332 /nfs/dbraw/zinc/73/53/32/705735332.db2.gz KNQHOVDEIUKUMP-HUUCEWRRSA-N 0 3 321.377 1.619 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000826970467 705902933 /nfs/dbraw/zinc/90/29/33/705902933.db2.gz MPINPKCLVFHPEF-GMXABZIVSA-N 0 3 319.361 1.370 20 5 DDBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000865057861 706338087 /nfs/dbraw/zinc/33/80/87/706338087.db2.gz FXDTVXVYTQFIDS-QWRGUYRKSA-N 0 3 323.324 1.327 20 5 DDBDHN COC[C@@H](C)OC[C@@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000872249512 707348732 /nfs/dbraw/zinc/34/87/32/707348732.db2.gz WKHUCHBOKGRWHE-AGIUHOORSA-N 0 3 312.366 1.658 20 5 DDBDHN CC(C)C[C@H](CO)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000882916316 707848290 /nfs/dbraw/zinc/84/82/90/707848290.db2.gz MOWFOROWCBPEHM-GFCCVEGCSA-N 0 3 310.350 1.863 20 5 DDBDHN CC(C)C[C@@H](CO)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000882916317 707848449 /nfs/dbraw/zinc/84/84/49/707848449.db2.gz MOWFOROWCBPEHM-LBPRGKRZSA-N 0 3 310.350 1.863 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCCN3CCO)c1 ZINC000897221630 708259564 /nfs/dbraw/zinc/25/95/64/708259564.db2.gz NXPCAXCOMKJUPJ-UONOGXRCSA-N 0 3 305.378 1.939 20 5 DDBDHN Cc1ccc(N2CC[C@H]3[C@@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC000897222597 708260099 /nfs/dbraw/zinc/26/00/99/708260099.db2.gz WCXCMIPNHGEWCN-KBPBESRZSA-N 0 3 305.378 1.939 20 5 DDBDHN O=[N+]([O-])c1cccc(N2CCN(c3ccncc3CO)CC2)c1 ZINC000891862974 710312528 /nfs/dbraw/zinc/31/25/28/710312528.db2.gz ZXUCJYUPPFGGCW-UHFFFAOYSA-N 0 3 314.345 1.809 20 5 DDBDHN COc1c([O-])ccc(CN2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000891864494 710312621 /nfs/dbraw/zinc/31/26/21/710312621.db2.gz REOAMDMRKSSMHC-ZDUSSCGKSA-N 0 3 321.377 1.979 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCN1C ZINC000928434470 713194337 /nfs/dbraw/zinc/19/43/37/713194337.db2.gz DZEZKJQHPJYNKJ-SCZZXKLOSA-N 0 3 307.306 1.146 20 5 DDBDHN COc1c([O-])ccc(CN(C)C[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000894981423 711349438 /nfs/dbraw/zinc/34/94/38/711349438.db2.gz IFUVBUPBGVTVQW-GFCCVEGCSA-N 0 3 309.366 1.835 20 5 DDBDHN COc1c([O-])ccc(CN(C)C[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000894981423 711349442 /nfs/dbraw/zinc/34/94/42/711349442.db2.gz IFUVBUPBGVTVQW-GFCCVEGCSA-N 0 3 309.366 1.835 20 5 DDBDHN O=[N+]([O-])CCNC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000905366550 712017391 /nfs/dbraw/zinc/01/73/91/712017391.db2.gz PBSPRIGQKOVIQP-NSHDSACASA-N 0 3 317.183 1.466 20 5 DDBDHN CC[C@H](CO)NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000916570525 713458398 /nfs/dbraw/zinc/45/83/98/713458398.db2.gz IKRUVSCMDMBRLH-SECBINFHSA-N 0 3 301.730 1.547 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000931609186 714138117 /nfs/dbraw/zinc/13/81/17/714138117.db2.gz DDQFAIYHSHJTTG-TVQRCGJNSA-N 0 3 308.313 1.902 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000931609187 714138144 /nfs/dbraw/zinc/13/81/44/714138144.db2.gz DDQFAIYHSHJTTG-ZANVPECISA-N 0 3 308.313 1.902 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000924956015 714707860 /nfs/dbraw/zinc/70/78/60/714707860.db2.gz WWTUFWRQZMCUEO-JQWIXIFHSA-N 0 3 307.350 1.750 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(C)CCN(C)CC1 ZINC000933991422 714716450 /nfs/dbraw/zinc/71/64/50/714716450.db2.gz DJBDZFVBRUJBOP-UHFFFAOYSA-N 0 3 322.409 1.283 20 5 DDBDHN COc1ccc(CN2CCN(C)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000933998608 714719413 /nfs/dbraw/zinc/71/94/13/714719413.db2.gz LIMDIPCSNNSVGS-UHFFFAOYSA-N 0 3 322.409 1.283 20 5 DDBDHN C/C(=C/C(=O)NCCN(C)CCO)c1ccc([N+](=O)[O-])cc1 ZINC000924997444 714720898 /nfs/dbraw/zinc/72/08/98/714720898.db2.gz HNMSCKKMOPZTJK-QXMHVHEDSA-N 0 3 307.350 1.038 20 5 DDBDHN C[C@H](c1ccc([N+](=O)[O-])cc1)N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000925198597 714773682 /nfs/dbraw/zinc/77/36/82/714773682.db2.gz VTEBIXBOFNECRJ-SKDRFNHKSA-N 0 3 306.322 1.138 20 5 DDBDHN COc1c([O-])ccc(C[NH2+]CC2CC3(C2)OCCO3)c1[N+](=O)[O-] ZINC001183712299 743891583 /nfs/dbraw/zinc/89/15/83/743891583.db2.gz ZUOGCDZSXVWJHS-UHFFFAOYSA-N 0 3 324.333 1.552 20 5 DDBDHN O=C(CC1CCOCC1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125050122 748815478 /nfs/dbraw/zinc/81/54/78/748815478.db2.gz MLBGVUOLCCNSKZ-UHFFFAOYSA-N 0 3 321.377 1.617 20 5 DDBDHN CCOCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001154337612 749725833 /nfs/dbraw/zinc/72/58/33/749725833.db2.gz ZOVJYZMPMIZGGR-UHFFFAOYSA-N 0 3 301.368 1.289 20 5 DDBDHN Cc1cc(N2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)nc(C)n1 ZINC001169027852 762184635 /nfs/dbraw/zinc/18/46/35/762184635.db2.gz RDYVFLNCCWAYPI-GJZGRUSLSA-N 0 3 319.409 1.661 20 5 DDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC(N3CCC(F)(F)CC3)C2)C1 ZINC001169038039 762192713 /nfs/dbraw/zinc/19/27/13/762192713.db2.gz VGKKMPAOXQLRHC-VXGBXAGGSA-N 0 3 303.353 1.847 20 5 DDBDHN COc1ccc(N2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169057474 762210573 /nfs/dbraw/zinc/21/05/73/762210573.db2.gz VUCAIDMSGOIVMH-UONOGXRCSA-N 0 3 320.393 1.658 20 5 DDBDHN C[C@H](N)c1ccn(-c2nccc(Br)c2[N+](=O)[O-])n1 ZINC001169234374 762293421 /nfs/dbraw/zinc/29/34/21/762293421.db2.gz ICNLQWHUHMFKER-LURJTMIESA-N 0 3 312.127 1.958 20 5 DDBDHN Cc1ncc(CN2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001045437429 766306191 /nfs/dbraw/zinc/30/61/91/766306191.db2.gz QXXVBVMTQYRLJX-CHWSQXEVSA-N 0 3 322.365 1.119 20 5 DDBDHN CCC(=O)N1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001048632668 769597206 /nfs/dbraw/zinc/59/72/06/769597206.db2.gz SFQOMSNOTFQSJE-OKILXGFUSA-N 0 3 303.362 1.895 20 5 DDBDHN CC[C@](N)(CO)N[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173192858 777037547 /nfs/dbraw/zinc/03/75/47/777037547.db2.gz RPKAUCNWWRPPOZ-LKFCYVNXSA-N 0 3 315.345 1.320 20 5 DDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(CC(C)(C)O)CC1 ZINC001173236887 777074709 /nfs/dbraw/zinc/07/47/09/777074709.db2.gz FUFLNXKMVZZCPE-CQSZACIVSA-N 0 3 321.421 1.914 20 5 DDBDHN O=C1NCCC12CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC001119264606 781386415 /nfs/dbraw/zinc/38/64/15/781386415.db2.gz DOKOXNSWLGHWIF-AWEZNQCLSA-N 0 3 319.361 1.230 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCn2cc(CNCC3CC3)nn2)cc1 ZINC001119333436 781407610 /nfs/dbraw/zinc/40/76/10/781407610.db2.gz UHUICGRIWYRZHP-UHFFFAOYSA-N 0 3 317.349 1.765 20 5 DDBDHN COc1cc2ncnc(-n3cnc(CN)c3)c2cc1[N+](=O)[O-] ZINC001154906749 861560045 /nfs/dbraw/zinc/56/00/45/861560045.db2.gz NRFTZZPEYQJVIS-UHFFFAOYSA-N 0 3 300.278 1.191 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001150119812 862099330 /nfs/dbraw/zinc/09/93/30/862099330.db2.gz LJLLJXDRMCAQIV-LKFCYVNXSA-N 0 3 304.350 1.390 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001157259095 863688640 /nfs/dbraw/zinc/68/86/40/863688640.db2.gz CQCIZUODGUGMID-ZWNOBZJWSA-N 0 3 320.349 1.307 20 5 DDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001154022541 864331100 /nfs/dbraw/zinc/33/11/00/864331100.db2.gz LBJNKABUFLTMNJ-YUMQZZPRSA-N 0 3 313.745 1.280 20 5 DDBDHN O=[N+]([O-])c1cccc(F)c1Cn1cc(CNCC2CC2)nn1 ZINC001331227995 864954688 /nfs/dbraw/zinc/95/46/88/864954688.db2.gz OESTTZYOFBOJSY-UHFFFAOYSA-N 0 3 305.313 1.873 20 5 DDBDHN C[C@H](Nc1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1)[C@@H]1CNCCO1 ZINC001159499417 865355377 /nfs/dbraw/zinc/35/53/77/865355377.db2.gz PXUDDCGYDIRBIR-LNTXQQRLSA-N 0 3 321.381 1.311 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2nc([C@H]3CN4CCC3CC4)no2)nc1 ZINC001321125410 867338771 /nfs/dbraw/zinc/33/87/71/867338771.db2.gz SQGMWNUDFMYGEN-NSHDSACASA-N 0 3 301.306 1.849 20 5 DDBDHN COc1cc(C(=O)NC[C@H]2CCCCN2C)ccc1[N+](=O)[O-] ZINC001339266723 870430518 /nfs/dbraw/zinc/43/05/18/870430518.db2.gz VXWKGQCZUCTSJX-GFCCVEGCSA-N 0 3 307.350 1.818 20 5 DDBDHN C[C@H]1NCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@H]1C ZINC001340923348 871427691 /nfs/dbraw/zinc/42/76/91/871427691.db2.gz QWUMGQVYOMKFMV-MNOVXSKESA-N 0 3 309.341 1.875 20 5 DDBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CCNC[C@H]2F)n1 ZINC001205219626 871436709 /nfs/dbraw/zinc/43/67/09/871436709.db2.gz SKJUGTHOYRSUQN-JGVFFNPUSA-N 0 3 311.248 1.594 20 5 DDBDHN O=C(N[C@@H]1COC2(CNC2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC001342214867 872075106 /nfs/dbraw/zinc/07/51/06/872075106.db2.gz HOPGWRAGPXVJOQ-QMMMGPOBSA-N 0 3 311.725 1.109 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1N1CCC(N2CCN(C)CC2)CC1 ZINC001351794317 876436261 /nfs/dbraw/zinc/43/62/61/876436261.db2.gz MJVUHJWKMRCGBX-UHFFFAOYSA-N 0 3 319.409 1.514 20 5 DDBDHN CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C(C)(C)C1 ZINC001472059018 877630735 /nfs/dbraw/zinc/63/07/35/877630735.db2.gz RQPYGYMVEUITRT-ZDUSSCGKSA-N 0 3 306.366 1.637 20 5 DDBDHN COc1ccc(CC(=O)NC[C@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC001353895727 877635370 /nfs/dbraw/zinc/63/53/70/877635370.db2.gz WHGZUBQHMLMDGQ-CYBMUJFWSA-N 0 3 321.377 1.746 20 5 DDBDHN Cc1cc([O-])c(Cl)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001233592904 887137019 /nfs/dbraw/zinc/13/70/19/887137019.db2.gz RMKYEGZLRSJUBO-SNVBAGLBSA-O 0 3 302.778 1.717 20 5 DDBDHN O=C(CCO)CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254468271 896453525 /nfs/dbraw/zinc/45/35/25/896453525.db2.gz JBKRHXNAMNWNNR-UHFFFAOYSA-N 0 3 307.350 1.105 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])n1[n-]c(=O)c2c1CC[NH2+]C2 ZINC001254564417 896501580 /nfs/dbraw/zinc/50/15/80/896501580.db2.gz LVOBKOLJUSNCAY-JTQLQIEISA-N 0 3 302.334 1.946 20 5 DDBDHN CN1CCCC[C@@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001262652333 900287099 /nfs/dbraw/zinc/28/70/99/900287099.db2.gz CXAYTRVUFRXTPU-CYBMUJFWSA-N 0 3 320.393 1.997 20 5 DDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1C1CC1 ZINC000278503520 214196371 /nfs/dbraw/zinc/19/63/71/214196371.db2.gz VVHBUINZYQHHKX-HNNXBMFYSA-N 0 3 303.362 1.880 20 5 DDBDHN COCCN(C)CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278524895 214211380 /nfs/dbraw/zinc/21/13/80/214211380.db2.gz ZITUTPAGKKLXPV-UHFFFAOYSA-N 0 3 322.287 1.999 20 5 DDBDHN C[C@H](O)CN1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000249499775 282161358 /nfs/dbraw/zinc/16/13/58/282161358.db2.gz ICOIXYYZYNDWIM-KGLIPLIRSA-N 0 3 323.393 1.361 20 5 DDBDHN CN(C)C[C@](C)(O)CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255380504 282253256 /nfs/dbraw/zinc/25/32/56/282253256.db2.gz UDIJOUIMVYSALH-WUKHSURWSA-N 0 3 307.350 1.037 20 5 DDBDHN CCN(CCNC(=O)CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000171508888 186170222 /nfs/dbraw/zinc/17/02/22/186170222.db2.gz FVIUJPJQOPTEOL-UHFFFAOYSA-N 0 3 321.377 1.964 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(Cl)cc2)c1 ZINC000037883625 352297446 /nfs/dbraw/zinc/29/74/46/352297446.db2.gz RMRNTJYNADSOGY-ZDUSSCGKSA-N 0 3 310.741 1.595 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(CO)CC1 ZINC000052819997 352626377 /nfs/dbraw/zinc/62/63/77/352626377.db2.gz DNYWYINTZALJGL-UHFFFAOYSA-N 0 3 321.377 1.936 20 5 DDBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000065675191 352958141 /nfs/dbraw/zinc/95/81/41/352958141.db2.gz XOGZHPKFVRGPIG-NEPJUHHUSA-N 0 3 309.370 1.028 20 5 DDBDHN CN(CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000066924216 353026050 /nfs/dbraw/zinc/02/60/50/353026050.db2.gz HRNLPCIZNZDHCC-UHFFFAOYSA-N 0 3 303.322 1.295 20 5 DDBDHN CN(C(=O)CCNc1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000066608400 353007706 /nfs/dbraw/zinc/00/77/06/353007706.db2.gz BTNXEFJJLCJRNA-UHFFFAOYSA-N 0 3 320.393 1.949 20 5 DDBDHN O=C1C[C@]2(CN1)CCCN(CCOc1ccccc1[N+](=O)[O-])C2 ZINC000072829607 353218223 /nfs/dbraw/zinc/21/82/23/353218223.db2.gz LPDRYUVCIAXNGD-INIZCTEOSA-N 0 3 319.361 1.576 20 5 DDBDHN CN(C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccccc1 ZINC000074237179 353301900 /nfs/dbraw/zinc/30/19/00/353301900.db2.gz GXODKEKQUJJFEO-LLVKDONJSA-N 0 3 302.338 1.682 20 5 DDBDHN Cc1cc(N2CCCN(CCN(C)C)CC2)ncc1[N+](=O)[O-] ZINC000074747467 353328304 /nfs/dbraw/zinc/32/83/04/353328304.db2.gz MZFYZXZMYOAFFP-UHFFFAOYSA-N 0 3 307.398 1.372 20 5 DDBDHN CN(C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccc(F)cc1 ZINC000076871431 353441932 /nfs/dbraw/zinc/44/19/32/353441932.db2.gz RYXNXXOMUUEDLG-LLVKDONJSA-N 0 3 320.328 1.821 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(CC2CC2)C1 ZINC000108299431 353949644 /nfs/dbraw/zinc/94/96/44/353949644.db2.gz IZGNSAOMMZAHLV-CQSZACIVSA-N 0 3 303.362 1.738 20 5 DDBDHN CN(C)CCn1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000120237929 354009868 /nfs/dbraw/zinc/00/98/68/354009868.db2.gz JXIRQKSBUBOUOJ-UHFFFAOYSA-N 0 3 317.349 1.534 20 5 DDBDHN Cc1cc(C(=O)Nc2cnn(CCN(C)C)c2)cc([N+](=O)[O-])c1 ZINC000130206638 354090650 /nfs/dbraw/zinc/09/06/50/354090650.db2.gz IICNBFSOQTWVET-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN C[C@@H](c1ccccc1)[C@@H](NCCn1cc([N+](=O)[O-])cn1)C(N)=O ZINC000292212654 222913458 /nfs/dbraw/zinc/91/34/58/222913458.db2.gz ONGKGDPNQNNWBJ-SMDDNHRTSA-N 0 3 317.349 1.039 20 5 DDBDHN C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)N(C)C ZINC000587519531 354883207 /nfs/dbraw/zinc/88/32/07/354883207.db2.gz GRUNWJAQRDBWDI-VIFPVBQESA-N 0 3 307.354 1.147 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000590010375 355039028 /nfs/dbraw/zinc/03/90/28/355039028.db2.gz CIDCVFWUCWCRRI-WFASDCNBSA-N 0 3 318.377 1.478 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000590010692 355040566 /nfs/dbraw/zinc/04/05/66/355040566.db2.gz OTTZBKPGGDFLLC-TZMCWYRMSA-N 0 3 318.377 1.478 20 5 DDBDHN COc1cc(CN2CC[C@@H]3CN(C)C[C@@H]32)c([N+](=O)[O-])cc1F ZINC000590011040 355040842 /nfs/dbraw/zinc/04/08/42/355040842.db2.gz GHOUWWSSBDIVIL-YGRLFVJLSA-N 0 3 309.341 1.878 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590972411 355227279 /nfs/dbraw/zinc/22/72/79/355227279.db2.gz QUANIECLBTVHRC-INWMFGNUSA-N 0 3 322.361 1.445 20 5 DDBDHN CC(C)[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCN1 ZINC000592241758 355546159 /nfs/dbraw/zinc/54/61/59/355546159.db2.gz HBMRVVJHLNEOCA-OAHLLOKOSA-N 0 3 305.378 1.984 20 5 DDBDHN CN1CC[C@H](Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000592349566 355564169 /nfs/dbraw/zinc/56/41/69/355564169.db2.gz GKUGKDQXDGANSV-JTQLQIEISA-N 0 3 304.306 1.363 20 5 DDBDHN CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593071882 355787366 /nfs/dbraw/zinc/78/73/66/355787366.db2.gz VMYXVCQUPFIUKS-KBPBESRZSA-N 0 3 324.377 1.835 20 5 DDBDHN COc1ccc(CC(=O)N[C@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594450706 356221971 /nfs/dbraw/zinc/22/19/71/356221971.db2.gz SFNJHLWJUSAJKM-SNVBAGLBSA-N 0 3 321.255 1.152 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H](CO)CC1CC1)OCCO2 ZINC000594982372 356367714 /nfs/dbraw/zinc/36/77/14/356367714.db2.gz DBGBFSLAAMLZIK-LBPRGKRZSA-N 0 3 322.361 1.864 20 5 DDBDHN Cc1c([C@H](C)NC[C@@]2(OCCO)CCOC2)cccc1[N+](=O)[O-] ZINC000595077621 356379088 /nfs/dbraw/zinc/37/90/88/356379088.db2.gz KNHASIAKATZHRR-BBRMVZONSA-N 0 3 324.377 1.722 20 5 DDBDHN CCOc1ccc([C@@H](C)NC[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000595089308 356381291 /nfs/dbraw/zinc/38/12/91/356381291.db2.gz HFPLUGGPRIUPHT-PWSUYJOCSA-N 0 3 307.350 1.923 20 5 DDBDHN COC(=O)[C@H]1C[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000596067692 356760473 /nfs/dbraw/zinc/76/04/73/356760473.db2.gz QHNSZCKYGFELJC-XYPYZODXSA-N 0 3 321.333 1.465 20 5 DDBDHN COc1cc(NCCCN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000596084979 356766826 /nfs/dbraw/zinc/76/68/26/356766826.db2.gz FLXMBWMAHKCGJA-UHFFFAOYSA-N 0 3 309.366 1.862 20 5 DDBDHN CCN1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H]1C ZINC000596176406 356803030 /nfs/dbraw/zinc/80/30/30/356803030.db2.gz FVCYCRMVWFQOGI-GHMZBOCLSA-N 0 3 306.366 1.613 20 5 DDBDHN COC(=O)c1c(Cl)c(N2CC(N(C)C)C2)ccc1[N+](=O)[O-] ZINC000596178484 356803635 /nfs/dbraw/zinc/80/36/35/356803635.db2.gz JGMYDVPQZMKNLU-UHFFFAOYSA-N 0 3 313.741 1.785 20 5 DDBDHN CC[C@H]1CN(CC)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596257506 356835032 /nfs/dbraw/zinc/83/50/32/356835032.db2.gz PCUWOVRNECHJDS-NSHDSACASA-N 0 3 306.366 1.614 20 5 DDBDHN Cc1c([C@@H](C)NCc2nc(C[NH3+])cc(=O)[n-]2)cccc1[N+](=O)[O-] ZINC000596652778 356942541 /nfs/dbraw/zinc/94/25/41/356942541.db2.gz HJGWGGDLYPUSFM-SNVBAGLBSA-N 0 3 317.349 1.708 20 5 DDBDHN COc1cc(C(=O)NCC2=CCN(C)CC2)cc([N+](=O)[O-])c1C ZINC000276883442 213154152 /nfs/dbraw/zinc/15/41/52/213154152.db2.gz SNWYRSFXPSTEKU-UHFFFAOYSA-N 0 3 319.361 1.904 20 5 DDBDHN CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1 ZINC000597944462 357394254 /nfs/dbraw/zinc/39/42/54/357394254.db2.gz CYTDSSJHSUHBJI-ZDUSSCGKSA-N 0 3 307.350 1.526 20 5 DDBDHN C[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000598648526 357668968 /nfs/dbraw/zinc/66/89/68/357668968.db2.gz UCQWXYUOKGHQGN-HZSPNIEDSA-N 0 3 324.377 1.285 20 5 DDBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCN(C2CCCC2)CC1 ZINC000179397625 199027832 /nfs/dbraw/zinc/02/78/32/199027832.db2.gz AYUQMGYPONJATK-UHFFFAOYSA-N 0 3 307.354 1.408 20 5 DDBDHN COC(=O)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@@H]2CCC[C@@H]21 ZINC000599661222 358013555 /nfs/dbraw/zinc/01/35/55/358013555.db2.gz TVCUSCRLCKCBBO-JHJVBQTASA-N 0 3 322.365 1.455 20 5 DDBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(N2CCCOCC2)CC1 ZINC000600006816 358102081 /nfs/dbraw/zinc/10/20/81/358102081.db2.gz IGQNEFQYSMCWPU-UHFFFAOYSA-N 0 3 322.365 1.250 20 5 DDBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2COCCN2)o1 ZINC000600677936 358280531 /nfs/dbraw/zinc/28/05/31/358280531.db2.gz LQOPDIGPWLDLKA-GFCCVEGCSA-N 0 3 317.345 1.933 20 5 DDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCNC1=O ZINC000348101763 283368637 /nfs/dbraw/zinc/36/86/37/283368637.db2.gz KTXHESPETVJTEA-GWCFXTLKSA-N 0 3 320.349 1.180 20 5 DDBDHN CN1CCC[C@H](N2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)C1 ZINC000601115800 358408433 /nfs/dbraw/zinc/40/84/33/358408433.db2.gz CGYCLGUSIHKEKC-ZDUSSCGKSA-N 0 3 323.372 1.345 20 5 DDBDHN Cc1cc(C(=O)NCCNc2ccncc2)cc([N+](=O)[O-])c1 ZINC000358919393 299281207 /nfs/dbraw/zinc/28/12/07/299281207.db2.gz BIVYFGPWFDVLBC-UHFFFAOYSA-N 0 3 300.318 1.562 20 5 DDBDHN CO[C@H]1COCC[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602677332 359120562 /nfs/dbraw/zinc/12/05/62/359120562.db2.gz XOYCOMXDIZTKPU-YGRLFVJLSA-N 0 3 321.333 1.877 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@@H](O)Cc1ccccc1 ZINC000602840408 359229985 /nfs/dbraw/zinc/22/99/85/359229985.db2.gz MWBQJCRIZMZUJH-HNNXBMFYSA-N 0 3 318.377 1.635 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCNC1(C(=O)N(C)C)CCCCC1 ZINC000602843108 359231460 /nfs/dbraw/zinc/23/14/60/359231460.db2.gz UXDSLOACDHVNJO-UHFFFAOYSA-N 0 3 323.397 1.480 20 5 DDBDHN CCN(C(=O)Nc1c(C)cncc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000602959758 359322993 /nfs/dbraw/zinc/32/29/93/359322993.db2.gz FUJNKGFHRZJZBE-NSHDSACASA-N 0 3 307.354 1.278 20 5 DDBDHN CO[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)[C@@](C)(CO)C1 ZINC000602964531 359327520 /nfs/dbraw/zinc/32/75/20/359327520.db2.gz QZKMVBBUWMCDFW-HUUCEWRRSA-N 0 3 310.350 1.445 20 5 DDBDHN Cn1cc(CN2CCNC[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])n1 ZINC000603427134 359634503 /nfs/dbraw/zinc/63/45/03/359634503.db2.gz BIRGUBFQEZLJFO-CQSZACIVSA-N 0 3 319.340 1.614 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H]1CCCS(=O)(=O)C1 ZINC000565726351 304087175 /nfs/dbraw/zinc/08/71/75/304087175.db2.gz RRMSMFCROGRZGY-SMDDNHRTSA-N 0 3 324.402 1.997 20 5 DDBDHN CC(C)(CO)N1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000618584530 363682837 /nfs/dbraw/zinc/68/28/37/363682837.db2.gz UWUCBYHQWHEBFC-UHFFFAOYSA-N 0 3 319.365 1.364 20 5 DDBDHN C[C@@]1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCOC1 ZINC000609600613 360331711 /nfs/dbraw/zinc/33/17/11/360331711.db2.gz MORNOPQUIWFVQR-HNNXBMFYSA-N 0 3 308.334 1.882 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCc3c2cccc3F)c1 ZINC000610336027 360415893 /nfs/dbraw/zinc/41/58/93/360415893.db2.gz FKYKRWUVFMQUSO-IAQYHMDHSA-N 0 3 320.324 1.568 20 5 DDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(C)CC1 ZINC000281249009 216184063 /nfs/dbraw/zinc/18/40/63/216184063.db2.gz UJWWCDFXJMFRKZ-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN C[C@H](O)CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000281389961 216266788 /nfs/dbraw/zinc/26/67/88/216266788.db2.gz GGBLTGDWLZNXDJ-QWRGUYRKSA-N 0 3 319.365 1.362 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1=CCN(C)CC1 ZINC000271894686 209302729 /nfs/dbraw/zinc/30/27/29/209302729.db2.gz FMEDUKSZLQKOHW-UHFFFAOYSA-N 0 3 320.349 1.987 20 5 DDBDHN CN(C)C1(CNC(=O)NCCc2ccccc2[N+](=O)[O-])CCC1 ZINC000275529449 212396412 /nfs/dbraw/zinc/39/64/12/212396412.db2.gz WUTDHBKJLHZPHL-UHFFFAOYSA-N 0 3 320.393 1.921 20 5 DDBDHN CO[C@H]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000267810299 206297777 /nfs/dbraw/zinc/29/77/77/206297777.db2.gz MRRZCRWZOJDWOA-LBPRGKRZSA-N 0 3 307.350 1.953 20 5 DDBDHN CN(C)[C@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000105199258 194083814 /nfs/dbraw/zinc/08/38/14/194083814.db2.gz DRIGKLPHMIXJLG-AWEZNQCLSA-N 0 3 306.366 1.830 20 5 DDBDHN CC[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CCN1C[C@@H](C)O ZINC000105827364 194138821 /nfs/dbraw/zinc/13/88/21/194138821.db2.gz XGBSDKIGFSONRA-YPMHNXCESA-N 0 3 313.423 1.933 20 5 DDBDHN CS[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H]1N(C)C ZINC000340732382 251181875 /nfs/dbraw/zinc/18/18/75/251181875.db2.gz ACMHUUOGKDEPLM-VHSXEESVSA-N 0 3 322.394 1.119 20 5 DDBDHN COCCN(C)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000061376323 184169595 /nfs/dbraw/zinc/16/95/95/184169595.db2.gz RPKYHLDMUHVZLJ-UHFFFAOYSA-N 0 3 301.774 1.916 20 5 DDBDHN COC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272947507 210334420 /nfs/dbraw/zinc/33/44/20/210334420.db2.gz PCTGBBPUVLVRKL-GFCCVEGCSA-N 0 3 310.350 1.445 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)[C@@H](C)[NH3+])c1C ZINC000420450663 292292172 /nfs/dbraw/zinc/29/21/72/292292172.db2.gz YOUBATWYVUFSCT-ZJUUUORDSA-N 0 3 301.368 1.226 20 5 DDBDHN C[NH2+]CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000036298086 406977856 /nfs/dbraw/zinc/97/78/56/406977856.db2.gz XRXLLLLJWSAPAA-UHFFFAOYSA-N 0 3 307.759 1.136 20 5 DDBDHN CCN1CCC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000052556121 407152361 /nfs/dbraw/zinc/15/23/61/407152361.db2.gz HOLXGRGRZUYEFY-ZDUSSCGKSA-N 0 3 306.366 1.878 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000055209810 407198366 /nfs/dbraw/zinc/19/83/66/407198366.db2.gz ATSBKNSUSSREGL-ZDUSSCGKSA-N 0 3 320.393 1.997 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000124500974 407359958 /nfs/dbraw/zinc/35/99/58/407359958.db2.gz YZFCDLXBUMBENU-ZDUSSCGKSA-N 0 3 309.341 1.877 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H]1CCOC1 ZINC000106885830 407364935 /nfs/dbraw/zinc/36/49/35/407364935.db2.gz NWNDGKZSCPNNEC-CYBMUJFWSA-N 0 3 307.350 1.953 20 5 DDBDHN COCC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000112355915 407427290 /nfs/dbraw/zinc/42/72/90/407427290.db2.gz MGHMNMDURWMAMD-OAHLLOKOSA-N 0 3 324.377 1.693 20 5 DDBDHN CN(C)[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000151853310 407512529 /nfs/dbraw/zinc/51/25/29/407512529.db2.gz IAOAUJSZYOHJIC-ZDUSSCGKSA-N 0 3 309.341 1.829 20 5 DDBDHN CCc1n[nH]c(C(=O)NC[C@H](C)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000171276996 407646334 /nfs/dbraw/zinc/64/63/34/407646334.db2.gz BGVVDARMYISUEE-NSHDSACASA-N 0 3 323.397 1.731 20 5 DDBDHN CN(CCCN1CCN(C)CC1)Cc1csc([N+](=O)[O-])c1 ZINC000266968360 407696407 /nfs/dbraw/zinc/69/64/07/407696407.db2.gz YUPDUPBTEZEWTL-UHFFFAOYSA-N 0 3 312.439 1.726 20 5 DDBDHN C[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000272497363 407950638 /nfs/dbraw/zinc/95/06/38/407950638.db2.gz GCIVIFJGOIUMCO-DOMZBBRYSA-N 0 3 317.393 1.957 20 5 DDBDHN CC(C)N1C[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000181184835 407962432 /nfs/dbraw/zinc/96/24/32/407962432.db2.gz NXDVFILTVWYRNR-JQWIXIFHSA-N 0 3 306.366 1.636 20 5 DDBDHN COc1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000268162935 407924036 /nfs/dbraw/zinc/92/40/36/407924036.db2.gz ILSBHFSSDNCDSJ-GXFFZTMASA-N 0 3 319.361 1.816 20 5 DDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](N(C)C)C1 ZINC000245819687 408074615 /nfs/dbraw/zinc/07/46/15/408074615.db2.gz UGANIMXVOKTLCZ-IUODEOHRSA-N 0 3 320.393 1.948 20 5 DDBDHN CN(C[C@H]1CCN(C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000273674899 408284240 /nfs/dbraw/zinc/28/42/40/408284240.db2.gz YDVNYZKTOZYGDU-NSHDSACASA-N 0 3 313.379 1.167 20 5 DDBDHN Cc1nn(CCC(=O)NCCN2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000264005499 408343052 /nfs/dbraw/zinc/34/30/52/408343052.db2.gz SSYRQKVJYATXOZ-UHFFFAOYSA-N 0 3 323.397 1.400 20 5 DDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246819612 408346969 /nfs/dbraw/zinc/34/69/69/408346969.db2.gz RHBTUNGJJKYYNF-IUODEOHRSA-N 0 3 305.378 1.936 20 5 DDBDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000160153277 408460120 /nfs/dbraw/zinc/46/01/20/408460120.db2.gz ZVXNGBYUGJPYKP-SNVBAGLBSA-N 0 3 313.379 1.233 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177213560 408552351 /nfs/dbraw/zinc/55/23/51/408552351.db2.gz CNXGJJXMYGKGBZ-PWSUYJOCSA-N 0 3 321.381 1.231 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](CO)C1 ZINC000248374766 408552711 /nfs/dbraw/zinc/55/27/11/408552711.db2.gz TYTJKUCFSCMHCS-CHWSQXEVSA-N 0 3 310.350 1.039 20 5 DDBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000248446234 408569155 /nfs/dbraw/zinc/56/91/55/408569155.db2.gz WQRUBPNGLYTCSS-QWRGUYRKSA-N 0 3 321.381 1.422 20 5 DDBDHN CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000248457538 408571384 /nfs/dbraw/zinc/57/13/84/408571384.db2.gz MKFVNZSTJWOKKL-ZIAGYGMSSA-N 0 3 324.377 1.835 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC(OC[C@H]3CCCO3)CC2)n1 ZINC000177448486 408620907 /nfs/dbraw/zinc/62/09/07/408620907.db2.gz WCLFZAAXZOIKIA-CQSZACIVSA-N 0 3 324.381 1.451 20 5 DDBDHN Cc1c(CN2CCN(C[C@@H](C)O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000249492434 408731633 /nfs/dbraw/zinc/73/16/33/408731633.db2.gz FNXHOTOTDUYEIS-CHWSQXEVSA-N 0 3 307.394 1.790 20 5 DDBDHN O=[N+]([O-])c1ccc(OC[C@H]2CNCCO2)c(Br)c1 ZINC000164069623 408794222 /nfs/dbraw/zinc/79/42/22/408794222.db2.gz AKFXEVQVMYGJDP-SECBINFHSA-N 0 3 317.139 1.725 20 5 DDBDHN CCOc1cc(CN2CC[C@](C)(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000280840870 408843823 /nfs/dbraw/zinc/84/38/23/408843823.db2.gz XBCHDTHBKJUMRE-HNNXBMFYSA-N 0 3 307.350 1.691 20 5 DDBDHN C[C@H]1COCC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000277496517 408952221 /nfs/dbraw/zinc/95/22/21/408952221.db2.gz PDOQQJNLQUSEAL-SMDDNHRTSA-N 0 3 319.361 1.499 20 5 DDBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000286307710 408960789 /nfs/dbraw/zinc/96/07/89/408960789.db2.gz JYJKLUOAKVASTO-AAEUAGOBSA-N 0 3 318.377 1.757 20 5 DDBDHN C[C@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCCO1 ZINC000277619722 408978611 /nfs/dbraw/zinc/97/86/11/408978611.db2.gz QWGAUCABUBPVER-NSHDSACASA-N 0 3 310.354 1.154 20 5 DDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000286630304 408992929 /nfs/dbraw/zinc/99/29/29/408992929.db2.gz AVRIPBJJNKZIAW-QWRGUYRKSA-N 0 3 307.354 1.027 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](C)N(C3CC3)C2)n1 ZINC000287723360 409082415 /nfs/dbraw/zinc/08/24/15/409082415.db2.gz FKUQSNPAWRNZQE-ZJUUUORDSA-N 0 3 320.349 1.814 20 5 DDBDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000293709209 409165975 /nfs/dbraw/zinc/16/59/75/409165975.db2.gz POKDAVJDBZUYIR-BXUZGUMPSA-N 0 3 307.350 1.122 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000289056450 409213718 /nfs/dbraw/zinc/21/37/18/409213718.db2.gz LRTXGSSOQNYBEG-NSHDSACASA-N 0 3 309.370 1.256 20 5 DDBDHN COC(=O)c1cn(CCNCc2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000283879805 409233702 /nfs/dbraw/zinc/23/37/02/409233702.db2.gz HBBVRMMAMIHASP-UHFFFAOYSA-N 0 3 319.321 1.071 20 5 DDBDHN C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCN1C ZINC000284195882 409294296 /nfs/dbraw/zinc/29/42/96/409294296.db2.gz ZFXGDLQTEGTKKE-VHSXEESVSA-N 0 3 324.356 1.871 20 5 DDBDHN Cc1ccc(CNC[C@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000290150695 409310604 /nfs/dbraw/zinc/31/06/04/409310604.db2.gz OVTNQOGCHHAHMJ-CYBMUJFWSA-N 0 3 312.391 1.818 20 5 DDBDHN C[C@H](CCCC[NH3+])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000312867226 164010057 /nfs/dbraw/zinc/01/00/57/164010057.db2.gz SVFQCNCHFPLNMP-SNVBAGLBSA-N 0 3 301.368 1.391 20 5 DDBDHN O=[N+]([O-])c1c(NC[C@@H]2CN3CCC[C@H]3CO2)nc2sccn21 ZINC000316905081 164024705 /nfs/dbraw/zinc/02/47/05/164024705.db2.gz XYHZFJRXEWLBRM-VHSXEESVSA-N 0 3 323.378 1.579 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCCN2C)c1 ZINC000316971047 164025280 /nfs/dbraw/zinc/02/52/80/164025280.db2.gz ZUTZPVUIULXIKP-GFCCVEGCSA-N 0 3 307.350 1.912 20 5 DDBDHN COc1c(C(=O)N[C@H](C)C2=CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000356745521 409567402 /nfs/dbraw/zinc/56/74/02/409567402.db2.gz OJECNHLAZLKMMZ-LLVKDONJSA-N 0 3 319.361 1.984 20 5 DDBDHN COC[C@]1(C(=O)OC)CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000296311650 409500042 /nfs/dbraw/zinc/50/00/42/409500042.db2.gz OEVHPXSPBSAWDC-INIZCTEOSA-N 0 3 322.361 1.915 20 5 DDBDHN C[C@@]1(O)CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000331651140 409735115 /nfs/dbraw/zinc/73/51/15/409735115.db2.gz MAMWMEURASMNDR-OAHLLOKOSA-N 0 3 321.333 1.350 20 5 DDBDHN CCOc1ccc([C@@H](C)N[C@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000349206369 409748117 /nfs/dbraw/zinc/74/81/17/409748117.db2.gz ACIQIVNYTDENKS-PWSUYJOCSA-N 0 3 307.350 1.923 20 5 DDBDHN COc1ccc(S(=O)(=O)[N-][C@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000320480625 409906939 /nfs/dbraw/zinc/90/69/39/409906939.db2.gz GUNPGORFOJFVGK-DTWKUNHWSA-N 0 3 317.367 1.008 20 5 DDBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H](C)C1 ZINC000346229487 409871333 /nfs/dbraw/zinc/87/13/33/409871333.db2.gz MBNUOODYTMMJMR-NHCYSSNCSA-N 0 3 307.354 1.120 20 5 DDBDHN C[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000357308651 409967744 /nfs/dbraw/zinc/96/77/44/409967744.db2.gz WQTOKLLVZUTBRL-GHMZBOCLSA-N 0 3 321.381 1.764 20 5 DDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000342913554 409993350 /nfs/dbraw/zinc/99/33/50/409993350.db2.gz UWHOGPOUOJVKNC-HNNXBMFYSA-N 0 3 320.349 1.119 20 5 DDBDHN CN(C)Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000579903572 422850605 /nfs/dbraw/zinc/85/06/05/422850605.db2.gz BEEZJOSJUVXYCK-UHFFFAOYSA-N 0 3 303.322 1.642 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000357457085 410051329 /nfs/dbraw/zinc/05/13/29/410051329.db2.gz VAALKWLSJYAIDC-ZIAGYGMSSA-N 0 3 306.366 1.417 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2c2cccnc2)c1 ZINC000346999106 410298907 /nfs/dbraw/zinc/29/89/07/410298907.db2.gz PCXYUSDBCOKDFI-LSDHHAIUSA-N 0 3 317.349 1.384 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@]1(O)CCN(C)C1 ZINC000358132109 410379084 /nfs/dbraw/zinc/37/90/84/410379084.db2.gz GMFMLLZVKOZNFX-OAHLLOKOSA-N 0 3 309.366 1.150 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCCN1C ZINC000343437286 410450902 /nfs/dbraw/zinc/45/09/02/410450902.db2.gz KYKOCKJMZVDLRB-YGRLFVJLSA-N 0 3 309.341 1.875 20 5 DDBDHN CN(C)C[C@](C)(O)CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000343571791 410542851 /nfs/dbraw/zinc/54/28/51/410542851.db2.gz TVJUTNYZFQODTG-MRXNPFEDSA-N 0 3 323.393 1.301 20 5 DDBDHN C[C@@H]1[C@@H](C)N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000343719439 410648467 /nfs/dbraw/zinc/64/84/67/410648467.db2.gz CZLLPQJUQRXBKB-MGPQQGTHSA-N 0 3 323.393 1.359 20 5 DDBDHN COC(=O)C1CCN(CCCNc2ccncc2[N+](=O)[O-])CC1 ZINC000340151431 410710563 /nfs/dbraw/zinc/71/05/63/410710563.db2.gz BKNKISFPARRWDI-UHFFFAOYSA-N 0 3 322.365 1.099 20 5 DDBDHN COc1ccc(CNC(=O)C(N)C(F)(F)F)cc1[N+](=O)[O-] ZINC000353153058 410816163 /nfs/dbraw/zinc/81/61/63/410816163.db2.gz QAGJFZCJTMMJRO-SECBINFHSA-N 0 3 307.228 1.109 20 5 DDBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356465705 411045994 /nfs/dbraw/zinc/04/59/94/411045994.db2.gz YVFLXXRTUGBDRT-MNOVXSKESA-N 0 3 309.370 1.179 20 5 DDBDHN CCN(CCN)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000638521982 422960043 /nfs/dbraw/zinc/96/00/43/422960043.db2.gz SSCFGKSSEPRDES-UHFFFAOYSA-N 0 3 323.396 1.962 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000417188107 225237318 /nfs/dbraw/zinc/23/73/18/225237318.db2.gz VLALHJLEJXCORB-MNOVXSKESA-N 0 3 322.365 1.495 20 5 DDBDHN C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)CN1CCO ZINC000419000360 226001554 /nfs/dbraw/zinc/00/15/54/226001554.db2.gz OGAHVCDWMXBZHS-GHMZBOCLSA-N 0 3 319.365 1.362 20 5 DDBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000366197111 418441653 /nfs/dbraw/zinc/44/16/53/418441653.db2.gz ANDOFKNPZGEIRV-CYBMUJFWSA-N 0 3 319.361 1.578 20 5 DDBDHN CCN(C[C@@H](C)OC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000291348788 222329891 /nfs/dbraw/zinc/32/98/91/222329891.db2.gz XQHMJHLNLMXWPD-OCCSQVGLSA-N 0 3 312.366 1.691 20 5 DDBDHN Cc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375130604 418608752 /nfs/dbraw/zinc/60/87/52/418608752.db2.gz JASDOPRWXWDSAK-GHMZBOCLSA-N 0 3 320.349 1.313 20 5 DDBDHN Cc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375130604 418608754 /nfs/dbraw/zinc/60/87/54/418608754.db2.gz JASDOPRWXWDSAK-GHMZBOCLSA-N 0 3 320.349 1.313 20 5 DDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000367836212 418642641 /nfs/dbraw/zinc/64/26/41/418642641.db2.gz RTQOLCUZXMFHDJ-WQAKAFBOSA-N 0 3 303.318 1.250 20 5 DDBDHN Cc1ccc2c(c1)CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000361848649 418718193 /nfs/dbraw/zinc/71/81/93/418718193.db2.gz AZLXRUAORUQNAY-INIZCTEOSA-N 0 3 316.361 1.519 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000423062425 227333304 /nfs/dbraw/zinc/33/33/04/227333304.db2.gz NADBCYNSAMDKEY-MFKMUULPSA-N 0 3 307.350 1.608 20 5 DDBDHN Cc1ccnc(N2CCCN(CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000364886314 418821910 /nfs/dbraw/zinc/82/19/10/418821910.db2.gz RZERBVDZWZNZMQ-UHFFFAOYSA-N 0 3 307.398 1.372 20 5 DDBDHN CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)NC ZINC000411179045 418876625 /nfs/dbraw/zinc/87/66/25/418876625.db2.gz BHUIFIVZWQEVEN-UHFFFAOYSA-N 0 3 322.365 1.381 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C[C@H]1CCCN1C ZINC000420998103 419433457 /nfs/dbraw/zinc/43/34/57/419433457.db2.gz HWFKNEPOUXGRKW-CYBMUJFWSA-N 0 3 320.393 1.868 20 5 DDBDHN COCCN(C)CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411903816 419465212 /nfs/dbraw/zinc/46/52/12/419465212.db2.gz KXVFUKPIOQBMPH-LSDHHAIUSA-N 0 3 321.377 1.393 20 5 DDBDHN COC(=O)[C@@H]1CN(C)CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000411910619 419468710 /nfs/dbraw/zinc/46/87/10/419468710.db2.gz SLBXIWUVPZYWHL-TZMCWYRMSA-N 0 3 321.377 1.692 20 5 DDBDHN COC(=O)[C@]1(C)CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000412065340 419616883 /nfs/dbraw/zinc/61/68/83/419616883.db2.gz KRBCHJIJZFHECA-OAHLLOKOSA-N 0 3 323.349 1.032 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCCN1C ZINC000421704093 419689298 /nfs/dbraw/zinc/68/92/98/419689298.db2.gz NTQRGJOYUJFVFY-LBPRGKRZSA-N 0 3 307.350 1.770 20 5 DDBDHN CC(C)(NC(=O)C[C@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000430421856 420120093 /nfs/dbraw/zinc/12/00/93/420120093.db2.gz BIMHDHMOXQFJFJ-ZDUSSCGKSA-N 0 3 307.350 1.325 20 5 DDBDHN C[C@H]1CC[NH2+]C[C@H]1[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420238994 420164411 /nfs/dbraw/zinc/16/44/11/420164411.db2.gz LKNZMNSNYDQAEA-JOYOIKCWSA-N 0 3 303.322 2.055 20 5 DDBDHN CCN1CCC(NC(=O)Cn2cc([N+](=O)[O-])c(C3CC3)n2)CC1 ZINC000436204743 420315824 /nfs/dbraw/zinc/31/58/24/420315824.db2.gz ASUULLAVVPYTJC-UHFFFAOYSA-N 0 3 321.381 1.269 20 5 DDBDHN N[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1c1cccc(F)c1 ZINC000424008140 420303183 /nfs/dbraw/zinc/30/31/83/420303183.db2.gz HOIFMYKIVQERCX-NWDGAFQWSA-N 0 3 318.308 1.629 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H](O)[C@@H](CO)C3)o2)cc1 ZINC000459718019 420855787 /nfs/dbraw/zinc/85/57/87/420855787.db2.gz XHCSYBPJSKIOHS-DOMZBBRYSA-N 0 3 318.329 1.640 20 5 DDBDHN CN(C)C1(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000527083640 421354030 /nfs/dbraw/zinc/35/40/30/421354030.db2.gz CXPQZHMKIHGYGP-UHFFFAOYSA-N 0 3 306.366 1.878 20 5 DDBDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548713601 421465330 /nfs/dbraw/zinc/46/53/30/421465330.db2.gz XGRDLNXIXCWBCH-JTQLQIEISA-N 0 3 307.354 1.176 20 5 DDBDHN CN(C)Cc1cccc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000548738352 421468747 /nfs/dbraw/zinc/46/87/47/421468747.db2.gz PCRYDMKJJBNYCY-UHFFFAOYSA-N 0 3 303.322 1.310 20 5 DDBDHN COC(C)(C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564319683 421579126 /nfs/dbraw/zinc/57/91/26/421579126.db2.gz KVVKCNASKMVQBW-UHFFFAOYSA-N 0 3 316.379 1.383 20 5 DDBDHN CC(C)(C)N1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000521142595 421773749 /nfs/dbraw/zinc/77/37/49/421773749.db2.gz XWPGWWDGYVLEHJ-UHFFFAOYSA-N 0 3 309.370 1.124 20 5 DDBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000574782459 422180467 /nfs/dbraw/zinc/18/04/67/422180467.db2.gz ZNYIQFLKWVORDN-NSHDSACASA-N 0 3 309.370 1.275 20 5 DDBDHN Nc1ccc(NC[C@H](c2ccco2)N2CCCC2)nc1[N+](=O)[O-] ZINC000590570269 422321018 /nfs/dbraw/zinc/32/10/18/422321018.db2.gz YEILSNWUJKZOQV-GFCCVEGCSA-N 0 3 317.349 2.414 20 5 DDBDHN CC1CC([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000184406869 263387367 /nfs/dbraw/zinc/38/73/67/263387367.db2.gz LPDVPBQLMBYSEB-UHFFFAOYSA-N 0 3 313.379 1.261 20 5 DDBDHN NC(=O)c1cccc(N2CC[C@@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000342209361 271340023 /nfs/dbraw/zinc/34/00/23/271340023.db2.gz RUYLMPDDLJJOPO-GFCCVEGCSA-N 0 3 318.377 1.758 20 5 DDBDHN O=[N+]([O-])c1cnc2ccc(N3CC[C@@H](N4CC=CC4)C3)nn21 ZINC000302010361 275041563 /nfs/dbraw/zinc/04/15/63/275041563.db2.gz VYIOJRKTTFXDLD-LLVKDONJSA-N 0 3 300.322 1.088 20 5 DDBDHN CCCNC(=O)CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447517675 278833444 /nfs/dbraw/zinc/83/34/44/278833444.db2.gz LWZUVJXAYLCMCZ-RYUDHWBXSA-N 0 3 309.370 1.391 20 5 DDBDHN Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCCNC2)cc1[N+](=O)[O-] ZINC000193233082 280396160 /nfs/dbraw/zinc/39/61/60/280396160.db2.gz QDHQRYZQMCSKLL-LLVKDONJSA-N 0 3 313.379 1.242 20 5 DDBDHN CC[C@H](CO)N1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000353996832 298334114 /nfs/dbraw/zinc/33/41/14/298334114.db2.gz GHIUXUQVNRVYPE-GMNBZTITSA-N 0 3 319.405 1.997 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000368595220 301061441 /nfs/dbraw/zinc/06/14/41/301061441.db2.gz SIERBSLNASWEIP-OLZOCXBDSA-N 0 3 321.381 1.042 20 5 DDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000370365175 301324849 /nfs/dbraw/zinc/32/48/49/301324849.db2.gz DQGOFOZHJCZOTP-GFCCVEGCSA-N 0 3 318.377 1.877 20 5 DDBDHN Cn1ccc(N2CC[C@H](NCc3ccccc3[N+](=O)[O-])C2)n1 ZINC000378480254 302332764 /nfs/dbraw/zinc/33/27/64/302332764.db2.gz ZJSXSLWYZLLGCY-ZDUSSCGKSA-N 0 3 301.350 1.697 20 5 DDBDHN CN(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cn2)CCSC1 ZINC000532143838 303277136 /nfs/dbraw/zinc/27/71/36/303277136.db2.gz CNZIXYXRLFXPLS-ZDUSSCGKSA-N 0 3 310.379 1.157 20 5 DDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000364905434 307053514 /nfs/dbraw/zinc/05/35/14/307053514.db2.gz LVXJPPHNFUMHJX-JTQLQIEISA-N 0 3 319.365 1.319 20 5 DDBDHN CNC(=O)c1ccc(N2CC[C@@H]3CCN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000365018717 307056625 /nfs/dbraw/zinc/05/66/25/307056625.db2.gz ORTLMWBXFZELFR-NHYWBVRUSA-N 0 3 318.377 1.485 20 5 DDBDHN CC(COC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C)[N+](=O)[O-] ZINC000496902898 307368112 /nfs/dbraw/zinc/36/81/12/307368112.db2.gz PFTZKKRANYHQSW-AXFHLTTASA-N 0 3 316.354 1.840 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CN3CCC2CC3)c1 ZINC000565196690 308024822 /nfs/dbraw/zinc/02/48/22/308024822.db2.gz LJENIQNSWRWVRW-MRXNPFEDSA-N 0 3 319.361 1.090 20 5 DDBDHN Cn1cc([C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)CC2(C)C)cn1 ZINC000573264018 308235023 /nfs/dbraw/zinc/23/50/23/308235023.db2.gz QGWUQZYOUOGEFW-ZDUSSCGKSA-N 0 3 318.381 1.650 20 5 DDBDHN NC[C@H]1c2ccccc2CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000573922590 308256041 /nfs/dbraw/zinc/25/60/41/308256041.db2.gz IDFAJUQIQXSRNR-LBPRGKRZSA-N 0 3 301.302 1.886 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CCc3ccccc3[C@@H]2CN)c1[N+](=O)[O-] ZINC000576400198 308311977 /nfs/dbraw/zinc/31/19/77/308311977.db2.gz AJPVBOKXPZISKV-LBPRGKRZSA-N 0 3 315.333 1.325 20 5 DDBDHN Cc1[nH]nc(C(=O)N2CCc3ccccc3[C@@H]2CN)c1[N+](=O)[O-] ZINC000576400198 308311978 /nfs/dbraw/zinc/31/19/78/308311978.db2.gz AJPVBOKXPZISKV-LBPRGKRZSA-N 0 3 315.333 1.325 20 5 DDBDHN Cc1n[nH]cc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582355296 326017306 /nfs/dbraw/zinc/01/73/06/326017306.db2.gz FTTHJJAIWXMRMU-LBPRGKRZSA-N 0 3 306.322 1.156 20 5 DDBDHN O=[N+]([O-])c1ccc2ncnc(NC[C@H]3CSCCN3)c2c1 ZINC000603418990 483933975 /nfs/dbraw/zinc/93/39/75/483933975.db2.gz KQUUZNYVYSIMGU-VIFPVBQESA-N 0 3 305.363 1.655 20 5 DDBDHN COCCN(C)CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000209700669 484136945 /nfs/dbraw/zinc/13/69/45/484136945.db2.gz IGTGBAFALUPENP-FPLPWBNLSA-N 0 3 307.350 1.302 20 5 DDBDHN C[C@@H]1[C@@H](CO)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000488728931 484215965 /nfs/dbraw/zinc/21/59/65/484215965.db2.gz IVLIYSNHWQLVRT-BZPMIXESSA-N 0 3 310.350 1.037 20 5 DDBDHN C[C@H](NCCN1C(=O)N[C@@H](C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000459399593 533856459 /nfs/dbraw/zinc/85/64/59/533856459.db2.gz VNELZJINRDDBPP-UWVGGRQHSA-N 0 3 306.322 1.186 20 5 DDBDHN COC(=O)c1cccc(OC[C@@H](O)CN(C)C2CC2)c1[N+](=O)[O-] ZINC000414163801 534280097 /nfs/dbraw/zinc/28/00/97/534280097.db2.gz GOUIPMMWBHIYEH-NSHDSACASA-N 0 3 324.333 1.215 20 5 DDBDHN NC(=O)NC(=O)CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544109 534382261 /nfs/dbraw/zinc/38/22/61/534382261.db2.gz DSGSLGLXDQQQQS-GFCCVEGCSA-N 0 3 320.349 1.359 20 5 DDBDHN Cc1nc(N(CCN(C)C)Cc2ccco2)ncc1[N+](=O)[O-] ZINC000297600513 534439043 /nfs/dbraw/zinc/43/90/43/534439043.db2.gz UUXODBDLZJNANF-UHFFFAOYSA-N 0 3 305.338 1.854 20 5 DDBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000163751531 524365700 /nfs/dbraw/zinc/36/57/00/524365700.db2.gz AWTGRDSSMQMUJK-IJLUTSLNSA-N 0 3 323.397 1.425 20 5 DDBDHN CC(C)OC[C@@H](CO)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000433266840 528010479 /nfs/dbraw/zinc/01/04/79/528010479.db2.gz BRZGMOQSBOHKKF-CYBMUJFWSA-N 0 3 312.366 1.691 20 5 DDBDHN CCN1CCN(C[C@@H](C)CNc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000294776215 529147003 /nfs/dbraw/zinc/14/70/03/529147003.db2.gz ABILGWYCHUZBHU-LBPRGKRZSA-N 0 3 322.413 1.379 20 5 DDBDHN CC[N@@H+]1C[C@@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821242873 606732200 /nfs/dbraw/zinc/73/22/00/606732200.db2.gz XGIKUCLABASLQB-NOZJJQNGSA-N 0 3 317.353 1.527 20 5 DDBDHN CC[N@H+]1C[C@@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821242873 606732202 /nfs/dbraw/zinc/73/22/02/606732202.db2.gz XGIKUCLABASLQB-NOZJJQNGSA-N 0 3 317.353 1.527 20 5 DDBDHN CC[N@@H+]1C[C@@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821242873 606732203 /nfs/dbraw/zinc/73/22/03/606732203.db2.gz XGIKUCLABASLQB-NOZJJQNGSA-N 0 3 317.353 1.527 20 5 DDBDHN CC[N@H+]1C[C@@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000821242873 606732205 /nfs/dbraw/zinc/73/22/05/606732205.db2.gz XGIKUCLABASLQB-NOZJJQNGSA-N 0 3 317.353 1.527 20 5 DDBDHN COc1cc(CNCCC[S@](C)=O)c([N+](=O)[O-])cc1O ZINC000116918451 696669004 /nfs/dbraw/zinc/66/90/04/696669004.db2.gz UILLUPVYXOIJPL-HXUWFJFHSA-N 0 3 302.352 1.167 20 5 DDBDHN Cc1nn(CN2C[C@@H](C)N(C)[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000840090641 701962828 /nfs/dbraw/zinc/96/28/28/701962828.db2.gz RKYXGGRZUOMTEG-PHIMTYICSA-N 0 3 318.381 1.630 20 5 DDBDHN CO[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@](C)(CO)C1 ZINC000879261386 706633223 /nfs/dbraw/zinc/63/32/23/706633223.db2.gz JMGVNWZFIXPNRL-RRFJBIMHSA-N 0 3 310.350 1.100 20 5 DDBDHN Cc1ccc(CNC(=O)N[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000868366317 702089965 /nfs/dbraw/zinc/08/99/65/702089965.db2.gz PSDWMCDHNRBYRK-CYBMUJFWSA-N 0 3 318.377 1.939 20 5 DDBDHN CN1CCN(C2CCN(c3ccsc3[N+](=O)[O-])CC2)CC1 ZINC000866210742 706650134 /nfs/dbraw/zinc/65/01/34/706650134.db2.gz BKZDGBNZVKVSDH-UHFFFAOYSA-N 0 3 310.423 1.873 20 5 DDBDHN CC(COC(=O)Cc1csc(-c2cccnc2)n1)[N+](=O)[O-] ZINC000813102007 702290769 /nfs/dbraw/zinc/29/07/69/702290769.db2.gz MQVYKMKJHITIPZ-VIFPVBQESA-N 0 3 307.331 1.956 20 5 DDBDHN CC(COC(=O)c1ccc(CS(C)(=O)=O)cc1)[N+](=O)[O-] ZINC000813108578 702294855 /nfs/dbraw/zinc/29/48/55/702294855.db2.gz HVHQZAVOJKXSDV-VIFPVBQESA-N 0 3 301.320 1.053 20 5 DDBDHN Cc1ccccc1[C@@H](CC(=O)OCC(C)[N+](=O)[O-])NC(N)=O ZINC000813109822 702295833 /nfs/dbraw/zinc/29/58/33/702295833.db2.gz PLZNUOOIDWJRQN-ZYHUDNBSSA-N 0 3 309.322 1.303 20 5 DDBDHN Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110309 702295844 /nfs/dbraw/zinc/29/58/44/702295844.db2.gz XGKJTWPNKFVCIS-SECBINFHSA-N 0 3 301.320 1.221 20 5 DDBDHN CC(COC(=O)CCN1c2ccccc2O[C@@H](C)C1=O)[N+](=O)[O-] ZINC000813111863 702296966 /nfs/dbraw/zinc/29/69/66/702296966.db2.gz KZNFZQJGSTWYOY-MNOVXSKESA-N 0 3 322.317 1.399 20 5 DDBDHN CC(COC(=O)CCCNC(=O)NC1CCCCC1)[N+](=O)[O-] ZINC000813110870 702297314 /nfs/dbraw/zinc/29/73/14/702297314.db2.gz LEOZZWKAKHOPCE-LLVKDONJSA-N 0 3 315.370 1.607 20 5 DDBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1N1CCNC1=O ZINC000813112128 702298429 /nfs/dbraw/zinc/29/84/29/702298429.db2.gz BWPDRGWQTUOMMI-VIFPVBQESA-N 0 3 323.305 1.047 20 5 DDBDHN Cc1cc(N2CCC[C@H](OC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nc(C)n1 ZINC000842304157 702700313 /nfs/dbraw/zinc/70/03/13/702700313.db2.gz VIOFRRQLALMYAT-YNEHKIRRSA-N 0 3 320.349 1.271 20 5 DDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CCN[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000843473192 702888797 /nfs/dbraw/zinc/88/87/97/702888797.db2.gz IOAHMRQRIDDVGI-UWVGGRQHSA-N 0 3 322.321 1.634 20 5 DDBDHN CCN(CCO)CCNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843858240 702934478 /nfs/dbraw/zinc/93/44/78/702934478.db2.gz SZTHHRRIFOKOGG-UHFFFAOYSA-N 0 3 313.329 1.086 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866540341 706724181 /nfs/dbraw/zinc/72/41/81/706724181.db2.gz LYAKAWKTDUMUGS-HZMBPMFUSA-N 0 3 321.352 1.875 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000869777318 703848515 /nfs/dbraw/zinc/84/85/15/703848515.db2.gz MNSHKQQCERWLLJ-LBPRGKRZSA-N 0 3 321.377 1.478 20 5 DDBDHN C[C@@]12COC[C@]1(C)CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852462033 704054149 /nfs/dbraw/zinc/05/41/49/704054149.db2.gz DVBMLBUWUZIDOQ-HRCADAONSA-N 0 3 306.362 1.987 20 5 DDBDHN O=[N+]([O-])c1cnn(CCNC[C@H](O)c2cc(F)ccc2F)c1 ZINC000819177792 704082094 /nfs/dbraw/zinc/08/20/94/704082094.db2.gz VYHJQXGEORLTLA-ZDUSSCGKSA-N 0 3 312.276 1.393 20 5 DDBDHN COc1cc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)ccc1[N+](=O)[O-] ZINC000874840447 705195993 /nfs/dbraw/zinc/19/59/93/705195993.db2.gz OBJVCMICRZAPKI-CHWSQXEVSA-N 0 3 319.361 1.912 20 5 DDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000874846917 705201470 /nfs/dbraw/zinc/20/14/70/705201470.db2.gz LNBKUOHJJLRLNO-LSDHHAIUSA-N 0 3 319.361 1.669 20 5 DDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000874851035 705204150 /nfs/dbraw/zinc/20/41/50/705204150.db2.gz ZCGGRJPAIMYLEC-OLZOCXBDSA-N 0 3 319.361 1.669 20 5 DDBDHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000861343132 705434941 /nfs/dbraw/zinc/43/49/41/705434941.db2.gz YYEATNIWWZEMQO-XHDPSFHLSA-N 0 3 323.349 1.443 20 5 DDBDHN CN1C(=O)[C@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]2C1=O ZINC000877720289 706188660 /nfs/dbraw/zinc/18/86/60/706188660.db2.gz NFRZRGFBHAZIHK-KMUUFKDPSA-N 0 3 315.329 1.155 20 5 DDBDHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000867307884 706954922 /nfs/dbraw/zinc/95/49/22/706954922.db2.gz DQPLNOAVOBHSPB-WCBMZHEXSA-N 0 3 319.408 1.369 20 5 DDBDHN O=[N+]([O-])c1ccc2oc(CNCC3CC4(C3)OCCO4)nc2c1 ZINC000896908700 708179104 /nfs/dbraw/zinc/17/91/04/708179104.db2.gz HFFLASKQGBCLOE-UHFFFAOYSA-N 0 3 319.317 1.979 20 5 DDBDHN Nc1ccc(N2CC[C@@H]3[C@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC000897219934 708257834 /nfs/dbraw/zinc/25/78/34/708257834.db2.gz QIXSAFORLSYVGA-CHWSQXEVSA-N 0 3 306.366 1.212 20 5 DDBDHN Nc1c(F)c(N2CC[C@H]3[C@H]2CCCN3CCO)ccc1[N+](=O)[O-] ZINC000897221450 708259606 /nfs/dbraw/zinc/25/96/06/708259606.db2.gz NBLFYSJHYRECOP-WDEREUQCSA-N 0 3 324.356 1.352 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN(C)CCO)c1C ZINC000912611253 713049585 /nfs/dbraw/zinc/04/95/85/713049585.db2.gz AOESXHLMMSHHOI-UHFFFAOYSA-N 0 3 309.366 1.208 20 5 DDBDHN O=C1NCCN1CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000886744762 708833156 /nfs/dbraw/zinc/83/31/56/708833156.db2.gz GFODOIVVQYSJSD-AWEZNQCLSA-N 0 3 304.350 1.587 20 5 DDBDHN CC(COC(=O)CCC(=O)N[C@@H](C)c1ccccc1)[N+](=O)[O-] ZINC000893047179 710546591 /nfs/dbraw/zinc/54/65/91/710546591.db2.gz JAZCRJKVOYPXIJ-NEPJUHHUSA-N 0 3 308.334 1.852 20 5 DDBDHN CC(COC(=O)c1c(C(F)F)nc2cnccn21)[N+](=O)[O-] ZINC000893047785 710546899 /nfs/dbraw/zinc/54/68/99/710546899.db2.gz ONFIYLYMAVCVCB-LURJTMIESA-N 0 3 300.221 1.489 20 5 DDBDHN C[C@H]1[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1C ZINC000928441882 713197269 /nfs/dbraw/zinc/19/72/69/713197269.db2.gz PTMZBRMUWIOEHC-IINYFYTJSA-N 0 3 316.361 1.827 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCN1C ZINC000928444787 713198973 /nfs/dbraw/zinc/19/89/73/713198973.db2.gz MLGGHNJTRINTNB-MWLCHTKSSA-N 0 3 302.334 1.899 20 5 DDBDHN C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCN1C ZINC000928450126 713202321 /nfs/dbraw/zinc/20/23/21/713202321.db2.gz SHNDEZSYVZZIEP-JOYOIKCWSA-N 0 3 321.333 1.188 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCO)C1CCN(C)CC1 ZINC000911936072 711076535 /nfs/dbraw/zinc/07/65/35/711076535.db2.gz CHMDVAQTAAJXHP-UHFFFAOYSA-N 0 3 321.377 1.432 20 5 DDBDHN Cc1ccc(CN[C@H](C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000895832355 711619870 /nfs/dbraw/zinc/61/98/70/711619870.db2.gz GFCAZYUHWCIHIK-DGCLKSJQSA-N 0 3 312.391 1.816 20 5 DDBDHN CC(C)(CO)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000916572418 713458722 /nfs/dbraw/zinc/45/87/22/713458722.db2.gz GOBKRMDZAZVLHF-UHFFFAOYSA-N 0 3 301.730 1.547 20 5 DDBDHN C[C@H]1[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CCN1C ZINC000920599393 713682139 /nfs/dbraw/zinc/68/21/39/713682139.db2.gz TUYFZWKSOOISLL-WCQYABFASA-N 0 3 306.366 1.529 20 5 DDBDHN COCCN(C)CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000931627344 714141785 /nfs/dbraw/zinc/14/17/85/714141785.db2.gz NVLMIROGUDLLCA-LSDHHAIUSA-N 0 3 321.377 1.393 20 5 DDBDHN COC(=O)C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000932105413 714260179 /nfs/dbraw/zinc/26/01/79/714260179.db2.gz UXICHFLJEWKUET-KYOSRNDESA-N 0 3 322.361 1.759 20 5 DDBDHN C[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000932348344 714315575 /nfs/dbraw/zinc/31/55/75/714315575.db2.gz MVJBYCKZTWJVDC-TZMCWYRMSA-N 0 3 310.350 1.445 20 5 DDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C)CCN(C)CC1 ZINC000933995524 714717707 /nfs/dbraw/zinc/71/77/07/714717707.db2.gz DKHCHTIIZQWYNC-AWEZNQCLSA-N 0 3 306.410 1.835 20 5 DDBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCCC2CCC2)C1 ZINC000950055690 720470048 /nfs/dbraw/zinc/47/00/48/720470048.db2.gz LRTPGHNISHNBFY-HUUCEWRRSA-N 0 3 309.410 1.765 20 5 DDBDHN Cc1nc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)co1 ZINC001126161368 738433399 /nfs/dbraw/zinc/43/33/99/738433399.db2.gz IXKYSNVVBRAHLG-UHFFFAOYSA-N 0 3 304.306 1.411 20 5 DDBDHN COC(=O)C1(CNCc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC001180986367 743028698 /nfs/dbraw/zinc/02/86/98/743028698.db2.gz YQOLESXVMWGBAY-UHFFFAOYSA-N 0 3 310.306 1.352 20 5 DDBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C)N2CCCCC2)n1 ZINC001182440001 743623696 /nfs/dbraw/zinc/62/36/96/743623696.db2.gz HTBCIMZMMYAJRY-GFCCVEGCSA-N 0 3 306.366 1.902 20 5 DDBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C/C=C\Cl)CC1 ZINC001005382967 749934528 /nfs/dbraw/zinc/93/45/28/749934528.db2.gz SCXKRKLMXPXSCV-YNNXIKFZSA-N 0 3 301.774 1.327 20 5 DDBDHN CC(C)N(C)CC(=O)N[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001097189729 756978644 /nfs/dbraw/zinc/97/86/44/756978644.db2.gz CNDZANFWLRWRHI-TXEJJXNPSA-N 0 3 321.381 1.389 20 5 DDBDHN C[C@H](N)c1ccn(-c2nc(Cl)nc(Cl)c2[N+](=O)[O-])n1 ZINC001158348487 768114318 /nfs/dbraw/zinc/11/43/18/768114318.db2.gz HTUJGYSWPPUXDZ-BYPYZUCNSA-N 0 3 303.109 1.897 20 5 DDBDHN C[C@@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@H]1CNCCO1 ZINC001170565671 768165200 /nfs/dbraw/zinc/16/52/00/768165200.db2.gz WBEBBEDUXKQDTG-QMTHXVAHSA-N 0 3 302.334 1.932 20 5 DDBDHN CC(=O)N1CCc2cc(NCC3CN(C)C3)cc([N+](=O)[O-])c21 ZINC001170256845 766205746 /nfs/dbraw/zinc/20/57/46/766205746.db2.gz YTQVIZDKLRRUMY-UHFFFAOYSA-N 0 3 304.350 1.477 20 5 DDBDHN Cc1ccoc1CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001133577877 770029318 /nfs/dbraw/zinc/02/93/18/770029318.db2.gz OZXMARDWNIMCQS-UHFFFAOYSA-N 0 3 317.345 1.945 20 5 DDBDHN C[C@@H]1CCCN(CCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001136225125 771917805 /nfs/dbraw/zinc/91/78/05/771917805.db2.gz TTZJPQDVKCJUFA-SNVBAGLBSA-N 0 3 307.354 1.034 20 5 DDBDHN CC(C)N(C)CC(=O)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094456347 775894934 /nfs/dbraw/zinc/89/49/34/775894934.db2.gz BLFBQDLZALFWEA-UHFFFAOYSA-N 0 3 308.382 1.853 20 5 DDBDHN CCN(CC)CC(=O)N(C)CCNc1ncc(C)cc1[N+](=O)[O-] ZINC001101628482 777323055 /nfs/dbraw/zinc/32/30/55/777323055.db2.gz LYZWMKMWFPFSSQ-UHFFFAOYSA-N 0 3 323.397 1.510 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1NCCN(C)C(=O)CN1CCCC1 ZINC001101633391 777330146 /nfs/dbraw/zinc/33/01/46/777330146.db2.gz OYBLGIJZAROTHP-UHFFFAOYSA-N 0 3 321.381 1.264 20 5 DDBDHN CCOC(=O)[C@@H]1CNCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC001326223372 861207250 /nfs/dbraw/zinc/20/72/50/861207250.db2.gz ZTALVYLDPORSDJ-PKYBCLHXSA-N 0 3 319.361 1.445 20 5 DDBDHN O=[N+]([O-])c1ccnc(-n2nc(C(F)(F)F)c3c2CCNC3)c1 ZINC001154847047 861509476 /nfs/dbraw/zinc/50/94/76/861509476.db2.gz LWABAEUMNIAOJN-UHFFFAOYSA-N 0 3 313.239 1.840 20 5 DDBDHN Cc1nccn1CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001151141246 862645698 /nfs/dbraw/zinc/64/56/98/862645698.db2.gz MODQAIGCYNWRPJ-UHFFFAOYSA-N 0 3 317.349 1.006 20 5 DDBDHN Cc1cccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)n1 ZINC001123725792 859379002 /nfs/dbraw/zinc/37/90/02/859379002.db2.gz DOFIBBKNRDCAEX-UHFFFAOYSA-N 0 3 314.345 1.818 20 5 DDBDHN CN1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 ZINC001332381214 865803174 /nfs/dbraw/zinc/80/31/74/865803174.db2.gz NHLUSMSGSHGZRJ-UHFFFAOYSA-N 0 3 322.365 1.040 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@@H]1C ZINC001320704252 866964305 /nfs/dbraw/zinc/96/43/05/866964305.db2.gz YLMDGTYJFGHKCM-NSHDSACASA-N 0 3 306.366 1.851 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2nc([C@@H]3CN4CCC3CC4)no2)nc1 ZINC001321125409 867339263 /nfs/dbraw/zinc/33/92/63/867339263.db2.gz SQGMWNUDFMYGEN-LLVKDONJSA-N 0 3 301.306 1.849 20 5 DDBDHN Cc1c[n+]([O-])c(-n2c3ccccc3nc2[C@H](C)N)cc1[N+](=O)[O-] ZINC001162757518 867803700 /nfs/dbraw/zinc/80/37/00/867803700.db2.gz AHBQPYYIKBPHTL-JTQLQIEISA-N 0 3 313.317 1.895 20 5 DDBDHN NC(=O)c1cc([N+](=O)[O-])ccc1OC1CCN(C2CC2)CC1 ZINC001226167443 882242117 /nfs/dbraw/zinc/24/21/17/882242117.db2.gz JDTHIAAFNRKILO-UHFFFAOYSA-N 0 3 305.334 1.699 20 5 DDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CN2CCC1CC2 ZINC001337358919 869450039 /nfs/dbraw/zinc/45/00/39/869450039.db2.gz WDAFKLMDKUAADG-OAHLLOKOSA-N 0 3 303.362 1.738 20 5 DDBDHN O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3NCCO[C@H]3C2)c1 ZINC001165275487 869488104 /nfs/dbraw/zinc/48/81/04/869488104.db2.gz SRWCNWOYXPIABV-GJZGRUSLSA-N 0 3 314.345 1.710 20 5 DDBDHN CO[C@@H]1CCN(CCOc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001226441030 882433576 /nfs/dbraw/zinc/43/35/76/882433576.db2.gz LEILDYOYRZYGGE-GFCCVEGCSA-N 0 3 318.333 1.638 20 5 DDBDHN C[C@H]1[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCN1C ZINC001303799178 871155878 /nfs/dbraw/zinc/15/58/78/871155878.db2.gz DHFCYMBXQYIYGB-JOYOIKCWSA-N 0 3 311.769 2.000 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@@H](F)[C@@H](N)C2)c1F ZINC001246523995 892675520 /nfs/dbraw/zinc/67/55/20/892675520.db2.gz CVYZHGGKYKCIFA-IEBDPFPHSA-N 0 3 315.320 1.655 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCO[C@H](CN(C)C)C1 ZINC001254552448 896498370 /nfs/dbraw/zinc/49/83/70/896498370.db2.gz MDEZVKHMQDVBSU-DZGCQCFKSA-N 0 3 307.394 1.788 20 5 DDBDHN Cc1cnc(N2CCN(C3CCOCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000278651100 214303066 /nfs/dbraw/zinc/30/30/66/214303066.db2.gz DONPPXDIJPIHRP-ZDUSSCGKSA-N 0 3 320.393 1.988 20 5 DDBDHN COCCN1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278714469 214347154 /nfs/dbraw/zinc/34/71/54/214347154.db2.gz OWEDLDITSDGYJV-NSHDSACASA-N 0 3 319.365 1.281 20 5 DDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCCN1CCO ZINC000452390477 231375532 /nfs/dbraw/zinc/37/55/32/231375532.db2.gz OFHNHNCEUUGBNP-HNNXBMFYSA-N 0 3 321.377 1.100 20 5 DDBDHN CC[C@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NC ZINC000449773609 529664809 /nfs/dbraw/zinc/66/48/09/529664809.db2.gz KKIITDFVVHGOAV-MFKMUULPSA-N 0 3 322.365 1.426 20 5 DDBDHN CCN1CCC[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181606769 199326457 /nfs/dbraw/zinc/32/64/57/199326457.db2.gz JPYXOAIKOIKUMK-LLVKDONJSA-N 0 3 321.333 1.538 20 5 DDBDHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000616175495 362574562 /nfs/dbraw/zinc/57/45/62/362574562.db2.gz HXRCTGOUFHZOEE-CHWSQXEVSA-N 0 3 313.379 1.356 20 5 DDBDHN C[C@]1(O)CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000280086620 215364599 /nfs/dbraw/zinc/36/45/99/215364599.db2.gz OETZZGNDABLOOQ-HOCLYGCPSA-N 0 3 324.377 1.571 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H](OCCO)C2)cc1 ZINC000172293478 198073266 /nfs/dbraw/zinc/07/32/66/198073266.db2.gz SWXXYFDCEJVILC-MRXNPFEDSA-N 0 3 324.377 1.837 20 5 DDBDHN C[C@H](CN1CCN(C)CC1)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173399895 198211343 /nfs/dbraw/zinc/21/13/43/198211343.db2.gz VAEBQHUEWHQDFD-ZIAGYGMSSA-N 0 3 306.410 1.881 20 5 DDBDHN CCN1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000080160867 353594446 /nfs/dbraw/zinc/59/44/46/353594446.db2.gz WILQFJRNQPMLST-UHFFFAOYSA-N 0 3 320.393 1.585 20 5 DDBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H](C)C1 ZINC000346178543 283014161 /nfs/dbraw/zinc/01/41/61/283014161.db2.gz LLZLRWIMXJCWIV-SRVKXCTJSA-N 0 3 321.381 1.131 20 5 DDBDHN O=[N+]([O-])c1ccc2nc(N3CCN4C[C@H](O)C[C@H]4C3)ccc2c1 ZINC000405210732 354677111 /nfs/dbraw/zinc/67/71/11/354677111.db2.gz HZTAWBQJAIABEO-UONOGXRCSA-N 0 3 314.345 1.398 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590443437 355097551 /nfs/dbraw/zinc/09/75/51/355097551.db2.gz IRCCTHOBQYUGRL-RISCZKNCSA-N 0 3 305.334 1.136 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000590446501 355099822 /nfs/dbraw/zinc/09/98/22/355099822.db2.gz VZFCVKRQXNRXCN-GXFFZTMASA-N 0 3 305.334 1.380 20 5 DDBDHN C[C@@H]1C[C@H]1c1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000591729270 355373784 /nfs/dbraw/zinc/37/37/84/355373784.db2.gz YNHLQCAURCNXJE-SCDSUCTJSA-N 0 3 320.349 1.658 20 5 DDBDHN Cc1ccc(OC[C@@H](O)CNCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000591756593 355378083 /nfs/dbraw/zinc/37/80/83/355378083.db2.gz ILERZCRLIKTEOW-AWEZNQCLSA-N 0 3 320.349 1.129 20 5 DDBDHN Cc1nn(CCC(=O)N2CCNCC2(C)C)c(C)c1[N+](=O)[O-] ZINC000591678571 355360359 /nfs/dbraw/zinc/36/03/59/355360359.db2.gz YOWQOZXDAQUOPN-UHFFFAOYSA-N 0 3 309.370 1.009 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCN2CCNC[C@H]2C(F)F)cc1 ZINC000592488623 355597023 /nfs/dbraw/zinc/59/70/23/355597023.db2.gz WDOYJSXFMQOOGA-LBPRGKRZSA-N 0 3 301.293 1.513 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594025433 356093219 /nfs/dbraw/zinc/09/32/19/356093219.db2.gz LFSIHTKIQZFGKR-VHDGCEQUSA-N 0 3 305.378 1.715 20 5 DDBDHN C[NH+](C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000594475015 356229501 /nfs/dbraw/zinc/22/95/01/356229501.db2.gz RGJYZJOTCBRCIH-PHIMTYICSA-N 0 3 313.379 1.213 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594418566 356204159 /nfs/dbraw/zinc/20/41/59/356204159.db2.gz KDZXQNSEIRHDJO-VXGBXAGGSA-N 0 3 321.381 1.627 20 5 DDBDHN O=[N+]([O-])c1ccc(-n2cc(CCN3CCCCC3)nn2)nc1 ZINC000594648648 356272912 /nfs/dbraw/zinc/27/29/12/356272912.db2.gz CRTKIYWXNKGCSI-UHFFFAOYSA-N 0 3 302.338 1.599 20 5 DDBDHN O=[N+]([O-])c1ccccc1CNC1CCN([C@@H]2CCOC2)CC1 ZINC000594501974 356238787 /nfs/dbraw/zinc/23/87/87/356238787.db2.gz GNAVEBJPJOMEAZ-OAHLLOKOSA-N 0 3 305.378 1.938 20 5 DDBDHN NC[C@@H](NC(=O)NCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000594523407 356242420 /nfs/dbraw/zinc/24/24/20/356242420.db2.gz BGTZPRSGAPIODS-SECBINFHSA-N 0 3 306.244 1.284 20 5 DDBDHN COc1ccc(CNC[C@@H](OC)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000594950081 356363208 /nfs/dbraw/zinc/36/32/08/356363208.db2.gz HNVJAZSGZVRAMZ-IUODEOHRSA-N 0 3 310.350 1.745 20 5 DDBDHN COc1ccc(CNC(=O)C2(N)CC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000595248819 356417142 /nfs/dbraw/zinc/41/71/42/356417142.db2.gz HZUQTMYAELOVHM-UHFFFAOYSA-N 0 3 319.361 1.881 20 5 DDBDHN N[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1F ZINC000595260930 356424446 /nfs/dbraw/zinc/42/44/46/356424446.db2.gz NRKJZKUWSPRHSD-RKDXNWHRSA-N 0 3 301.705 1.760 20 5 DDBDHN COc1cc(CN2CC[C@@H](Cn3ccnn3)C2)ccc1[N+](=O)[O-] ZINC000595607971 356574716 /nfs/dbraw/zinc/57/47/16/356574716.db2.gz MDYPAKFZKWAYHZ-CYBMUJFWSA-N 0 3 317.349 1.717 20 5 DDBDHN O=[N+]([O-])c1cc(CN2CC[C@@H]3COC[C@H]3C2)c2c(c1)COCO2 ZINC000595830708 356667927 /nfs/dbraw/zinc/66/79/27/356667927.db2.gz LGUJHLHFENSEBX-BXUZGUMPSA-N 0 3 320.345 1.930 20 5 DDBDHN COc1ccc(OCCN2CC[C@@H](F)[C@H](N)C2)c([N+](=O)[O-])c1 ZINC000595905265 356699891 /nfs/dbraw/zinc/69/98/91/356699891.db2.gz AVOSSFAYKKCKNA-VXGBXAGGSA-N 0 3 313.329 1.353 20 5 DDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](F)[C@H](N)C1 ZINC000595906965 356700790 /nfs/dbraw/zinc/70/07/90/356700790.db2.gz PHBDPEZDUIEGEI-GMTAPVOTSA-N 0 3 310.329 1.293 20 5 DDBDHN O=c1[n-]ccc(N2CCC(CO)([NH2+]CC3CC3)CC2)c1[N+](=O)[O-] ZINC000596262844 356836258 /nfs/dbraw/zinc/83/62/58/356836258.db2.gz FUHNUTOXOMACIM-UHFFFAOYSA-N 0 3 322.365 1.026 20 5 DDBDHN CCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CCN(CC)C1 ZINC000598040928 357438101 /nfs/dbraw/zinc/43/81/01/357438101.db2.gz JKFYCCIUYZAVBY-CYBMUJFWSA-N 0 3 320.393 1.949 20 5 DDBDHN COC(=O)c1ccnc(N[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598599464 357648832 /nfs/dbraw/zinc/64/88/32/357648832.db2.gz OIWMFSGPDNZREM-UWVGGRQHSA-N 0 3 308.338 1.671 20 5 DDBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1(CCO)CNC1 ZINC000598913536 357756888 /nfs/dbraw/zinc/75/68/88/357756888.db2.gz LASZZTJXNYSFNR-UHFFFAOYSA-N 0 3 314.729 1.094 20 5 DDBDHN COc1ccc(CC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000565581206 304077023 /nfs/dbraw/zinc/07/70/23/304077023.db2.gz YCPYOZVSIZQUGU-GXTWGEPZSA-N 0 3 319.361 1.308 20 5 DDBDHN C[C@@H]1CCCCN1CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180931574 199228870 /nfs/dbraw/zinc/22/88/70/199228870.db2.gz DDQMAYLUHYSTNI-LLVKDONJSA-N 0 3 306.366 1.781 20 5 DDBDHN CC(C)N(C)CC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601776273 358690554 /nfs/dbraw/zinc/69/05/54/358690554.db2.gz IGBIWJSGGJZNGJ-OAHLLOKOSA-N 0 3 309.366 1.259 20 5 DDBDHN CCN[C@@H](C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602457266 358990386 /nfs/dbraw/zinc/99/03/86/358990386.db2.gz DCAFFIFVDZJVHN-LBPRGKRZSA-N 0 3 321.377 1.963 20 5 DDBDHN C[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000602931188 359300547 /nfs/dbraw/zinc/30/05/47/359300547.db2.gz MJZOEUBALIEKHX-SNPRPXQTSA-N 0 3 324.377 1.427 20 5 DDBDHN Cc1nccn1CCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963494 359326867 /nfs/dbraw/zinc/32/68/67/359326867.db2.gz WUIVJEHNDZJABR-OAHLLOKOSA-N 0 3 304.350 1.597 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CSCCN2)c1 ZINC000603418623 359628889 /nfs/dbraw/zinc/62/88/89/359628889.db2.gz HUSNZFNKHBXGGI-JTQLQIEISA-N 0 3 311.363 1.498 20 5 DDBDHN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCCN1CCCC1 ZINC000188187756 200205979 /nfs/dbraw/zinc/20/59/79/200205979.db2.gz BUGFNJKFMAXQNR-UHFFFAOYSA-N 0 3 303.318 1.677 20 5 DDBDHN CCOc1ccc([C@@H](C)NCCc2nnnn2C)cc1[N+](=O)[O-] ZINC000611327864 360699727 /nfs/dbraw/zinc/69/97/27/360699727.db2.gz YCHZTOAMGZEALF-SNVBAGLBSA-N 0 3 320.353 1.410 20 5 DDBDHN CCOC(=O)CCN(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000194651277 201269299 /nfs/dbraw/zinc/26/92/99/201269299.db2.gz PWZUPNKTUPSGGZ-UHFFFAOYSA-N 0 3 309.322 1.079 20 5 DDBDHN CN(C)C[C@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000618924303 363804167 /nfs/dbraw/zinc/80/41/67/363804167.db2.gz WVRKLGDXGQPDSC-OAHLLOKOSA-N 0 3 307.350 1.124 20 5 DDBDHN Cc1c(CNC[C@@H]2CNc3ccnn3C2)cccc1[N+](=O)[O-] ZINC000619265766 363952962 /nfs/dbraw/zinc/95/29/62/363952962.db2.gz WGROYPKKHFOCJM-GFCCVEGCSA-N 0 3 301.350 1.931 20 5 DDBDHN C[C@@H](NC(=O)[C@H](N)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000261899317 203147779 /nfs/dbraw/zinc/14/77/79/203147779.db2.gz WJRBMFGKOJNNGF-QMTHXVAHSA-N 0 3 307.350 1.526 20 5 DDBDHN C[C@H](NCC1(OCCO)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000282456862 217009967 /nfs/dbraw/zinc/00/99/67/217009967.db2.gz FUCNCXSCTNNAEP-ZDUSSCGKSA-N 0 3 324.377 1.804 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(C3CC3)C2)c1 ZINC000264595009 204016405 /nfs/dbraw/zinc/01/64/05/204016405.db2.gz AYWYXVQJSNDVTL-NSHDSACASA-N 0 3 319.361 1.818 20 5 DDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000288249804 220043253 /nfs/dbraw/zinc/04/32/53/220043253.db2.gz GASRUOKISFDXLR-NEPJUHHUSA-N 0 3 318.377 1.876 20 5 DDBDHN Cc1nn(C)c(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000266408993 205325727 /nfs/dbraw/zinc/32/57/27/205325727.db2.gz ZFPQYZTZKJBFBI-YOGCLGLASA-N 0 3 321.381 1.382 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CNC)c2)n1 ZINC000579581653 422794853 /nfs/dbraw/zinc/79/48/53/422794853.db2.gz QKGZKSXUIBAURV-UHFFFAOYSA-N 0 3 303.322 1.783 20 5 DDBDHN CC[C@@H](NC(=O)C[C@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000269248343 207385050 /nfs/dbraw/zinc/38/50/50/207385050.db2.gz QZKVRLGGFXEOGG-UONOGXRCSA-N 0 3 307.350 1.541 20 5 DDBDHN C[NH+](C)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000352463223 285068255 /nfs/dbraw/zinc/06/82/55/285068255.db2.gz WKRURDJDSQBEBO-UHFFFAOYSA-N 0 3 321.786 1.478 20 5 DDBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C1(C(N)=O)CCCC1 ZINC000120178157 195113277 /nfs/dbraw/zinc/11/32/77/195113277.db2.gz ZIKLIVQIAPNKFI-UHFFFAOYSA-N 0 3 307.350 1.704 20 5 DDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000120691067 195218419 /nfs/dbraw/zinc/21/84/19/195218419.db2.gz HMGIBVXCJZTOJJ-WFASDCNBSA-N 0 3 321.377 1.772 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H](O)Cn1ccnn1)CCC2 ZINC000414199935 224311422 /nfs/dbraw/zinc/31/14/22/224311422.db2.gz XBZXGUCBVKUGHF-HIFRSBDPSA-N 0 3 317.349 1.214 20 5 DDBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000330757549 533390038 /nfs/dbraw/zinc/39/00/38/533390038.db2.gz ZQHIFQZTFIZDQO-JTQLQIEISA-N 0 3 309.370 1.131 20 5 DDBDHN COC(=O)NCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000496532087 307348460 /nfs/dbraw/zinc/34/84/60/307348460.db2.gz ZJAOVOWUMIOQSH-QPUJVOFHSA-N 0 3 314.269 1.431 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@](O)(C(N)=O)C1 ZINC000286103529 292295028 /nfs/dbraw/zinc/29/50/28/292295028.db2.gz IMKWPJREWIEHLL-ABAIWWIYSA-N 0 3 307.350 1.276 20 5 DDBDHN CCCc1n[nH]c(C(=O)NC[C@@H]2CCCN2CC)c1[N+](=O)[O-] ZINC000069220831 406692645 /nfs/dbraw/zinc/69/26/45/406692645.db2.gz JPLWMAXQUJVQNB-JTQLQIEISA-N 0 3 309.370 1.485 20 5 DDBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC000073997594 406899293 /nfs/dbraw/zinc/89/92/93/406899293.db2.gz JGWXCWQPPJAIJI-DZGCQCFKSA-N 0 3 303.362 1.832 20 5 DDBDHN CN1CCN(CCCNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000044355473 407022420 /nfs/dbraw/zinc/02/24/20/407022420.db2.gz PRQNUENTEZRXSO-UHFFFAOYSA-N 0 3 312.395 1.024 20 5 DDBDHN Cc1c(CS(=O)(=O)C(C)C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000048717076 407106346 /nfs/dbraw/zinc/10/63/46/407106346.db2.gz MBFLWSKMZWGVTP-SNVBAGLBSA-N 0 3 314.363 1.295 20 5 DDBDHN CCN1CCC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000052522634 407151603 /nfs/dbraw/zinc/15/16/03/407151603.db2.gz BPSBCYFCVHBNSC-ZDUSSCGKSA-N 0 3 306.366 1.878 20 5 DDBDHN CN(CCN1CCCC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000103119863 407331732 /nfs/dbraw/zinc/33/17/32/407331732.db2.gz JJPCFRRNRHRVOT-UHFFFAOYSA-N 0 3 307.350 1.528 20 5 DDBDHN C[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(C)C ZINC000271032315 407479291 /nfs/dbraw/zinc/47/92/91/407479291.db2.gz PBMJOVJFKMSGGA-LLVKDONJSA-N 0 3 317.349 1.460 20 5 DDBDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN1C ZINC000127915313 407479723 /nfs/dbraw/zinc/47/97/23/407479723.db2.gz DMVIHVFDNNADGT-ZYHUDNBSSA-N 0 3 306.366 1.732 20 5 DDBDHN CC(C)OC(=O)C[C@@H](NC(=O)[C@@H](C)N)c1ccccc1[N+](=O)[O-] ZINC000151857235 407513860 /nfs/dbraw/zinc/51/38/60/407513860.db2.gz BWAXXYVZYFQEFT-ZYHUDNBSSA-N 0 3 323.349 1.441 20 5 DDBDHN Cn1ccnc1[C@H]1CNCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261740340 407597355 /nfs/dbraw/zinc/59/73/55/407597355.db2.gz KNXBLIRMPCRBPW-CQSZACIVSA-N 0 3 319.340 1.614 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171192861 407625030 /nfs/dbraw/zinc/62/50/30/407625030.db2.gz XNCUOZIHKRVUMO-CQSZACIVSA-N 0 3 306.366 1.531 20 5 DDBDHN C[C@H]1OCC[C@]1(O)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000227977239 407640761 /nfs/dbraw/zinc/64/07/61/407640761.db2.gz JYKBOZVLCMESBX-RNCFNFMXSA-N 0 3 300.742 1.878 20 5 DDBDHN CN(C)C[C@H]1CCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000268072125 407879089 /nfs/dbraw/zinc/87/90/89/407879089.db2.gz ATRFJVGVPSQLFN-GFCCVEGCSA-N 0 3 307.350 1.526 20 5 DDBDHN CN(C)CCN(Cc1ccco1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000153694184 407879627 /nfs/dbraw/zinc/87/96/27/407879627.db2.gz XMUNCGWSZBEQHW-UHFFFAOYSA-N 0 3 307.310 1.115 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000268147748 407913348 /nfs/dbraw/zinc/91/33/48/407913348.db2.gz FKWCDIKLEIEZFC-LKFCYVNXSA-N 0 3 307.325 1.946 20 5 DDBDHN CC(C)N(C)CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135532077 408028018 /nfs/dbraw/zinc/02/80/18/408028018.db2.gz JASJCATXCOAPOF-LBPRGKRZSA-N 0 3 321.381 1.343 20 5 DDBDHN CN(C)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000137054350 408137656 /nfs/dbraw/zinc/13/76/56/408137656.db2.gz LZBOFVNJAVNIEN-LLVKDONJSA-N 0 3 321.312 1.490 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2CCN(C3CCOCC3)CC2)cc1 ZINC000175474433 408138540 /nfs/dbraw/zinc/13/85/40/408138540.db2.gz WBJLLIDIZTYNES-UHFFFAOYSA-N 0 3 305.378 1.891 20 5 DDBDHN CCOC(=O)C[C@H](C)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000182625933 408208739 /nfs/dbraw/zinc/20/87/39/408208739.db2.gz QOBRXDPWTZDNBD-NSHDSACASA-N 0 3 311.338 1.030 20 5 DDBDHN COc1cc(C[NH2+]CCCn2ccnc2C)c([N+](=O)[O-])cc1[O-] ZINC000263722399 408222798 /nfs/dbraw/zinc/22/27/98/408222798.db2.gz WMDVLVJKGXYVNM-UHFFFAOYSA-N 0 3 320.349 1.994 20 5 DDBDHN CN1CCO[C@@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000130962712 162000933 /nfs/dbraw/zinc/00/09/33/162000933.db2.gz IXIQNULCYYRIOZ-JKSUJKDBSA-N 0 3 321.377 1.379 20 5 DDBDHN COCCN(CCN(C)C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000264097661 408365793 /nfs/dbraw/zinc/36/57/93/408365793.db2.gz AIYIHMCKEJHMQT-UHFFFAOYSA-N 0 3 313.329 1.384 20 5 DDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000274543562 408445635 /nfs/dbraw/zinc/44/56/35/408445635.db2.gz UUUKGIOXRAHXEU-IINYFYTJSA-N 0 3 306.366 1.589 20 5 DDBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)CCN1C ZINC000274660456 408485493 /nfs/dbraw/zinc/48/54/93/408485493.db2.gz YSMGRNGSUQXUFB-MNOVXSKESA-N 0 3 306.366 1.732 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000264474203 408505409 /nfs/dbraw/zinc/50/54/09/408505409.db2.gz GTOBKDXKWCYUQI-ZDUSSCGKSA-N 0 3 321.381 1.187 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177131067 408528014 /nfs/dbraw/zinc/52/80/14/408528014.db2.gz IPPDAVNWHXXDAH-YPMHNXCESA-N 0 3 303.362 1.879 20 5 DDBDHN CC1(O)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000177307756 408577789 /nfs/dbraw/zinc/57/77/89/408577789.db2.gz VGUPJKNKWZFGLK-CYBMUJFWSA-N 0 3 310.350 1.181 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000161403773 408600525 /nfs/dbraw/zinc/60/05/25/408600525.db2.gz MIJYZYZAUUQHTQ-GXSJLCMTSA-N 0 3 309.370 1.095 20 5 DDBDHN CCN1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000264622037 408543329 /nfs/dbraw/zinc/54/33/29/408543329.db2.gz LKXWOEHDEDPEFO-UHFFFAOYSA-N 0 3 307.350 1.528 20 5 DDBDHN CCc1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2CN(CC)CC3)c1[N+](=O)[O-] ZINC000192688227 408632549 /nfs/dbraw/zinc/63/25/49/408632549.db2.gz VINLCSHBZIEAMB-MNOVXSKESA-N 0 3 321.381 1.579 20 5 DDBDHN CCc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2CN(CC)CC3)c1[N+](=O)[O-] ZINC000192688227 408632553 /nfs/dbraw/zinc/63/25/53/408632553.db2.gz VINLCSHBZIEAMB-MNOVXSKESA-N 0 3 321.381 1.579 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)[C@@H]1CCOC1 ZINC000162799298 408736478 /nfs/dbraw/zinc/73/64/78/408736478.db2.gz ZIPOCKJQFDIFHY-GHMZBOCLSA-N 0 3 323.349 1.557 20 5 DDBDHN CN(C)C1(CNC(=O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000275833425 408691302 /nfs/dbraw/zinc/69/13/02/408691302.db2.gz GHLXOBIIPGRZKM-UHFFFAOYSA-N 0 3 307.350 1.574 20 5 DDBDHN CC(C)(C)[C@@H](CO)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000193108670 408694563 /nfs/dbraw/zinc/69/45/63/408694563.db2.gz NZABAPLGGFYZIP-CQSZACIVSA-N 0 3 321.377 1.481 20 5 DDBDHN CN(C)C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCC1 ZINC000275867117 408701229 /nfs/dbraw/zinc/70/12/29/408701229.db2.gz JMTWQHMISFJUPO-UHFFFAOYSA-N 0 3 310.329 1.530 20 5 DDBDHN CC[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270840121 408702696 /nfs/dbraw/zinc/70/26/96/408702696.db2.gz DXEKGTVXRFHTLQ-ZLDLUXBVSA-N 0 3 310.350 1.037 20 5 DDBDHN C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)N1CCC(C)CC1 ZINC000195069519 408809737 /nfs/dbraw/zinc/80/97/37/408809737.db2.gz RKTKMPVULQVOEU-LBPRGKRZSA-N 0 3 309.370 1.028 20 5 DDBDHN CC[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N(C)C ZINC000177966409 408748565 /nfs/dbraw/zinc/74/85/65/408748565.db2.gz MWBRPMNURYBQBT-OAHLLOKOSA-N 0 3 320.393 1.584 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@@H]1CCOC1 ZINC000163081896 408759622 /nfs/dbraw/zinc/75/96/22/408759622.db2.gz ZZURGYUHBOKZDX-NWDGAFQWSA-N 0 3 307.350 1.856 20 5 DDBDHN C[C@H]1C[C@@H](N2CCOCC2)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000286174127 408936658 /nfs/dbraw/zinc/93/66/58/408936658.db2.gz WXNUBHGNSABBKV-WMLDXEAASA-N 0 3 319.405 1.932 20 5 DDBDHN C[C@@H]1COCC[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000277439630 408941528 /nfs/dbraw/zinc/94/15/28/408941528.db2.gz LFDRRGDPNRBGAF-RISCZKNCSA-N 0 3 307.350 1.572 20 5 DDBDHN C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000286223742 408945158 /nfs/dbraw/zinc/94/51/58/408945158.db2.gz YVIGNNKPZVQCDH-XJKSGUPXSA-N 0 3 305.378 1.890 20 5 DDBDHN Cc1ccc(CNCC2(N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000277488281 408950199 /nfs/dbraw/zinc/95/01/99/408950199.db2.gz NNZIRWXFQKPFCA-UHFFFAOYSA-N 0 3 305.378 1.858 20 5 DDBDHN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3nonc32)[C@H](C)C1 ZINC000277791492 409012707 /nfs/dbraw/zinc/01/27/07/409012707.db2.gz NJIXGLTXAXHXQR-NXEZZACHSA-N 0 3 321.337 1.022 20 5 DDBDHN O=C(CN[C@H]1CCC[C@@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000279262728 409180430 /nfs/dbraw/zinc/18/04/30/409180430.db2.gz MLRCYSRFSASAGU-NEPJUHHUSA-N 0 3 307.350 1.674 20 5 DDBDHN CN(C)C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284188743 409293393 /nfs/dbraw/zinc/29/33/93/409293393.db2.gz YSSYKDXPXGDRTK-VIFPVBQESA-N 0 3 310.329 1.482 20 5 DDBDHN CN(C)CCn1nccc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000294249843 409266572 /nfs/dbraw/zinc/26/65/72/409266572.db2.gz XYHLUAGEERLAEI-UHFFFAOYSA-N 0 3 317.349 1.534 20 5 DDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)N(C)C ZINC000290265081 409341040 /nfs/dbraw/zinc/34/10/40/409341040.db2.gz OQHVKTFJIHKSKA-JTQLQIEISA-N 0 3 322.365 1.162 20 5 DDBDHN O=[N+]([O-])c1c(NC[C@H]2CN3CCC[C@@H]3CO2)nc2sccn21 ZINC000316905083 164024574 /nfs/dbraw/zinc/02/45/74/164024574.db2.gz XYHZFJRXEWLBRM-ZJUUUORDSA-N 0 3 323.378 1.579 20 5 DDBDHN C[C@H]1CN(C)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000408112161 164231947 /nfs/dbraw/zinc/23/19/47/164231947.db2.gz IPURNLOLOVAOKJ-VIFPVBQESA-N 0 3 303.322 1.247 20 5 DDBDHN CN(Cc1ccc(F)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304290952 409596907 /nfs/dbraw/zinc/59/69/07/409596907.db2.gz GNVBVCABYHPNED-CQSZACIVSA-N 0 3 308.313 1.423 20 5 DDBDHN COCCN1CC[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000297169129 409837212 /nfs/dbraw/zinc/83/72/12/409837212.db2.gz PKYXVPFMHMMACH-SNVBAGLBSA-N 0 3 305.338 1.604 20 5 DDBDHN CN(C)CCN(Cc1ccccn1)c1ncc([N+](=O)[O-])cn1 ZINC000354566234 409943831 /nfs/dbraw/zinc/94/38/31/409943831.db2.gz LMQLUHACUZTAPA-UHFFFAOYSA-N 0 3 302.338 1.348 20 5 DDBDHN CC1(C)NC(=O)CC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000338599581 410030412 /nfs/dbraw/zinc/03/04/12/410030412.db2.gz WBLQEOPUKRGTNF-GFCCVEGCSA-N 0 3 317.349 1.618 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2CN(C)C)n1 ZINC000191802077 306724421 /nfs/dbraw/zinc/72/44/21/306724421.db2.gz IKYCWYJQFIJFTM-LLVKDONJSA-N 0 3 309.370 1.368 20 5 DDBDHN CN1CC[C@@](O)(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000346729355 410116844 /nfs/dbraw/zinc/11/68/44/410116844.db2.gz OGJSTBVDCUNGMH-MRXNPFEDSA-N 0 3 321.377 1.055 20 5 DDBDHN O=C(COc1cccc([N+](=O)[O-])c1)NC1CCN(C2CC2)CC1 ZINC000298286425 410164137 /nfs/dbraw/zinc/16/41/37/410164137.db2.gz DDZWGXJMIFFPAN-UHFFFAOYSA-N 0 3 319.361 1.717 20 5 DDBDHN O=C(COc1cccc([N+](=O)[O-])c1)NCCN1CCCCCC1 ZINC000298355964 410191854 /nfs/dbraw/zinc/19/18/54/410191854.db2.gz OQKZIGNXLSUDJQ-UHFFFAOYSA-N 0 3 321.377 1.966 20 5 DDBDHN COc1c(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000332671546 410203528 /nfs/dbraw/zinc/20/35/28/410203528.db2.gz ZQYJLPVWNKONAF-NWDGAFQWSA-N 0 3 319.361 1.912 20 5 DDBDHN CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC2)C1 ZINC000347011820 410312437 /nfs/dbraw/zinc/31/24/37/410312437.db2.gz MNMPLZRQMTYPPW-CQSZACIVSA-N 0 3 319.361 1.669 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)CCN(C)C ZINC000352122895 410496501 /nfs/dbraw/zinc/49/65/01/410496501.db2.gz UJMNWMCVDAXGAM-HNNXBMFYSA-N 0 3 309.366 1.336 20 5 DDBDHN COCCN1CCC(Nc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000299237377 410577706 /nfs/dbraw/zinc/57/77/06/410577706.db2.gz KPCGNQDZMPBOKO-UHFFFAOYSA-N 0 3 321.337 1.654 20 5 DDBDHN C[C@H](CN(C)C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000355641485 410620885 /nfs/dbraw/zinc/62/08/85/410620885.db2.gz OWXWVXHOZJPDBO-SECBINFHSA-N 0 3 320.353 1.220 20 5 DDBDHN CN(C)CCNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000301057680 410647427 /nfs/dbraw/zinc/64/74/27/410647427.db2.gz MKZCHAJVWYMAGK-UHFFFAOYSA-N 0 3 322.365 1.041 20 5 DDBDHN CO[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000337471102 410812400 /nfs/dbraw/zinc/81/24/00/410812400.db2.gz PMXJPOIFQHZNMA-KBPBESRZSA-N 0 3 323.349 1.269 20 5 DDBDHN COC(=O)c1cnc(NC[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000302747397 410857385 /nfs/dbraw/zinc/85/73/85/410857385.db2.gz GAVZRNVOLWPSLG-SNVBAGLBSA-N 0 3 308.338 1.530 20 5 DDBDHN CNc1nccc(C(=O)N(C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000516978719 416766741 /nfs/dbraw/zinc/76/67/41/416766741.db2.gz IKKPEAXGTTZZFZ-UHFFFAOYSA-N 0 3 307.354 1.198 20 5 DDBDHN C[NH+](C)[C@@H](C[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000359495699 418413325 /nfs/dbraw/zinc/41/33/25/418413325.db2.gz LECIJNKMZSMRQE-ZDUSSCGKSA-N 0 3 317.349 2.397 20 5 DDBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000366199894 418443186 /nfs/dbraw/zinc/44/31/86/418443186.db2.gz XFPFSTZVZUGDHS-HNNXBMFYSA-N 0 3 319.361 1.578 20 5 DDBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cncc(F)c1 ZINC000361120161 418588032 /nfs/dbraw/zinc/58/80/32/418588032.db2.gz PZKNHZRVNCSEPJ-JTQLQIEISA-N 0 3 306.297 1.641 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@]2(CCCCO2)C1 ZINC000364620491 418794813 /nfs/dbraw/zinc/79/48/13/418794813.db2.gz TVUPZUQCDXLGGN-INIZCTEOSA-N 0 3 321.377 1.792 20 5 DDBDHN C[C@H]1CCN[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000422938767 227271619 /nfs/dbraw/zinc/27/16/19/227271619.db2.gz PYQDCQZTLZMJCR-AAEUAGOBSA-N 0 3 306.366 1.511 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCN(C)C(=O)C1 ZINC000424194390 228244612 /nfs/dbraw/zinc/24/46/12/228244612.db2.gz WKEIBTWLVRABCR-LBPRGKRZSA-N 0 3 321.377 1.952 20 5 DDBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000417822250 419342808 /nfs/dbraw/zinc/34/28/08/419342808.db2.gz FJFLUCYWYMXEQC-YPMHNXCESA-N 0 3 322.365 1.252 20 5 DDBDHN CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCNC1=O ZINC000411692355 419381660 /nfs/dbraw/zinc/38/16/60/419381660.db2.gz JZVUSVAGNACHDM-CYBMUJFWSA-N 0 3 320.349 1.134 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000427058710 419589525 /nfs/dbraw/zinc/58/95/25/419589525.db2.gz FIPLTUINBOLBGI-MFKMUULPSA-N 0 3 307.350 1.816 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@H](C)CCCC[NH3+])c([N+](=O)[O-])c1 ZINC000427949386 419775505 /nfs/dbraw/zinc/77/55/05/419775505.db2.gz JQXSVIILOGLVAR-LLVKDONJSA-N 0 3 315.395 1.699 20 5 DDBDHN COCCNCCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000418505978 419841984 /nfs/dbraw/zinc/84/19/84/419841984.db2.gz GVYYBNBGBJZYNN-UHFFFAOYSA-N 0 3 324.381 1.365 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCN1C ZINC000299263971 229015810 /nfs/dbraw/zinc/01/58/10/229015810.db2.gz WMZWNTVRDGMPQO-NSHDSACASA-N 0 3 308.338 1.819 20 5 DDBDHN COc1cccc(C(=O)N[C@H]2CNCCC2(F)F)c1[N+](=O)[O-] ZINC000423694726 420129043 /nfs/dbraw/zinc/12/90/43/420129043.db2.gz HZODNWXJAPAZSP-JTQLQIEISA-N 0 3 315.276 1.330 20 5 DDBDHN CCOc1ccc(NC(=O)CN2CCN[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000420332148 420216987 /nfs/dbraw/zinc/21/69/87/420216987.db2.gz GEDFZGSBZMBEAO-NSHDSACASA-N 0 3 322.365 1.226 20 5 DDBDHN CC1CCN(CCNc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420591043 420325047 /nfs/dbraw/zinc/32/50/47/420325047.db2.gz WRLLUHPSQHWBTD-UHFFFAOYSA-N 0 3 306.366 1.838 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC[C@@]1(C)CO ZINC000492894863 420702308 /nfs/dbraw/zinc/70/23/08/420702308.db2.gz SKBKKRBTIIOARZ-ZBFHGGJFSA-N 0 3 321.377 1.982 20 5 DDBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@H](O)[C@@H](CO)C3)o2)c1 ZINC000459694206 420849263 /nfs/dbraw/zinc/84/92/63/420849263.db2.gz GDAOKEYKYPTNSD-DOMZBBRYSA-N 0 3 318.329 1.640 20 5 DDBDHN C[C@@H](NC(=O)NCCOCCN(C)C)c1ccccc1[N+](=O)[O-] ZINC000471641771 420937769 /nfs/dbraw/zinc/93/77/69/420937769.db2.gz GHQVYRJEDFCMPI-GFCCVEGCSA-N 0 3 324.381 1.533 20 5 DDBDHN CNc1nc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000455996174 421085999 /nfs/dbraw/zinc/08/59/99/421085999.db2.gz OZMSABPLEXPVTN-ZWNOBZJWSA-N 0 3 319.365 1.198 20 5 DDBDHN Cc1nc(N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450539287 421207497 /nfs/dbraw/zinc/20/74/97/421207497.db2.gz JMAMGXCROZNZDX-NQBHXWOUSA-N 0 3 305.382 1.860 20 5 DDBDHN CNc1nccc(C(=O)N2CCCC[C@@H]2CN(C)C)c1[N+](=O)[O-] ZINC000565182577 421596341 /nfs/dbraw/zinc/59/63/41/421596341.db2.gz SNGHGAIJLNFLPN-LLVKDONJSA-N 0 3 321.381 1.588 20 5 DDBDHN COc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000571245187 421699644 /nfs/dbraw/zinc/69/96/44/421699644.db2.gz UZZNKUHMXLLSHS-LBPRGKRZSA-N 0 3 324.312 1.090 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCc3cc(F)ccc32)c1 ZINC000519068576 421678494 /nfs/dbraw/zinc/67/84/94/421678494.db2.gz KYCGTEQTNKCONF-DZGCQCFKSA-N 0 3 320.324 1.568 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000582002828 422086627 /nfs/dbraw/zinc/08/66/27/422086627.db2.gz HNQTXEPPQRPPPT-WDEREUQCSA-N 0 3 315.395 1.616 20 5 DDBDHN CN(C)[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000590574176 422320838 /nfs/dbraw/zinc/32/08/38/422320838.db2.gz CZGBUAZHZSNEBL-ZDUSSCGKSA-N 0 3 319.340 2.426 20 5 DDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000597860961 422391922 /nfs/dbraw/zinc/39/19/22/422391922.db2.gz QJOFBPKBEAYUJV-SECBINFHSA-N 0 3 307.354 1.175 20 5 DDBDHN COc1ccc(CN[C@@H](C2CC2)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000422936393 533688375 /nfs/dbraw/zinc/68/83/75/533688375.db2.gz BNIXBNRPQNYNGA-HOTGVXAUSA-N 0 3 321.377 1.460 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](N)CC(F)F ZINC000345727793 272315954 /nfs/dbraw/zinc/31/59/54/272315954.db2.gz VCIRZIYQNIFATB-SECBINFHSA-N 0 3 303.265 1.202 20 5 DDBDHN CC[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N(C)C ZINC000125263129 276541813 /nfs/dbraw/zinc/54/18/13/276541813.db2.gz FNHHSCWJWNPDRP-WCQYABFASA-N 0 3 321.381 1.343 20 5 DDBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NC[C@@H](O)C(F)(F)F)n1 ZINC000447529596 280377413 /nfs/dbraw/zinc/37/74/13/280377413.db2.gz MDGYKSZSNPVGNU-IVZWLZJFSA-N 0 3 322.287 1.788 20 5 DDBDHN CN1CCC(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000122250061 281153323 /nfs/dbraw/zinc/15/33/23/281153323.db2.gz UCERINMYVIPANQ-UHFFFAOYSA-N 0 3 318.377 1.757 20 5 DDBDHN CN1CC[C@H]2[C@H](CCCN2c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290732642 290244387 /nfs/dbraw/zinc/24/43/87/290244387.db2.gz GCQVBDUUNXUHKH-PWSUYJOCSA-N 0 3 319.365 1.009 20 5 DDBDHN CN1CC[C@@](O)(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000358062406 299061630 /nfs/dbraw/zinc/06/16/30/299061630.db2.gz HTVXAXXVGZNKIE-CYBMUJFWSA-N 0 3 313.741 1.045 20 5 DDBDHN Cc1c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000363689697 300296176 /nfs/dbraw/zinc/29/61/76/300296176.db2.gz GWNPRVCFQTYLCF-OLZOCXBDSA-N 0 3 319.361 1.496 20 5 DDBDHN CC(C)N1CCN([C@@H]2CCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000363918746 300325768 /nfs/dbraw/zinc/32/57/68/300325768.db2.gz HVXWGKUBNDKUSV-CQSZACIVSA-N 0 3 319.409 1.595 20 5 DDBDHN COc1ccc(CN[C@H]2CCC(=O)N[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000367062028 300794963 /nfs/dbraw/zinc/79/49/63/300794963.db2.gz JESCTCWKCPULCO-BLLLJJGKSA-N 0 3 319.361 1.750 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000368596850 301061936 /nfs/dbraw/zinc/06/19/36/301061936.db2.gz WFOKGLZMQIUMCF-QMTHXVAHSA-N 0 3 307.325 1.900 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000376496368 302085196 /nfs/dbraw/zinc/08/51/96/302085196.db2.gz WPVOEOTUALOYHW-JKSUJKDBSA-N 0 3 305.378 1.626 20 5 DDBDHN CSc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000518676232 302828850 /nfs/dbraw/zinc/82/88/50/302828850.db2.gz PPXJZBNXYZOXQB-CYBMUJFWSA-N 0 3 322.390 1.664 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2CN2CCCCC2)n1 ZINC000271451545 302943166 /nfs/dbraw/zinc/94/31/66/302943166.db2.gz VUBNUROXAZJKGF-LBPRGKRZSA-N 0 3 321.381 1.419 20 5 DDBDHN CC(C)N1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532397828 303284961 /nfs/dbraw/zinc/28/49/61/303284961.db2.gz ZDXBWQAPALQCDB-UHFFFAOYSA-N 0 3 306.366 1.935 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366304611 307070414 /nfs/dbraw/zinc/07/04/14/307070414.db2.gz ANBYSSWQTDZQJO-SUHUHFCYSA-N 0 3 317.345 1.559 20 5 DDBDHN COC(=O)[C@]12CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]1COCC2 ZINC000369542153 307123048 /nfs/dbraw/zinc/12/30/48/307123048.db2.gz RRWUGKMGWBOVGW-XJKSGUPXSA-N 0 3 320.345 1.606 20 5 DDBDHN C[C@@H]1CC[C@@H](O)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000421021023 307300498 /nfs/dbraw/zinc/30/04/98/307300498.db2.gz NVWXYBAYCGTULF-VXGBXAGGSA-N 0 3 307.350 1.769 20 5 DDBDHN CN(C)Cc1ccccc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000552879982 307823796 /nfs/dbraw/zinc/82/37/96/307823796.db2.gz MLWZNFMJRLQEEM-UHFFFAOYSA-N 0 3 303.322 1.642 20 5 DDBDHN CC(C)O[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000570926353 308185926 /nfs/dbraw/zinc/18/59/26/308185926.db2.gz WCOBEQBLAIYVCG-GOEBONIOSA-N 0 3 324.377 1.834 20 5 DDBDHN COCCN(C)C[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574168850 308264015 /nfs/dbraw/zinc/26/40/15/308264015.db2.gz KUTFCXRCVTYYPU-WFASDCNBSA-N 0 3 311.382 1.185 20 5 DDBDHN CC1(C)[C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000584002016 331558349 /nfs/dbraw/zinc/55/83/49/331558349.db2.gz IVIMEYYKTNBHAW-KGLIPLIRSA-N 0 3 319.361 1.233 20 5 DDBDHN Cc1cc(C(=O)NC[C@]2(O)CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000556851935 484318722 /nfs/dbraw/zinc/31/87/22/484318722.db2.gz UITMEKNHNSZKAP-INIZCTEOSA-N 0 3 319.361 1.090 20 5 DDBDHN C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000331908278 534250050 /nfs/dbraw/zinc/25/00/50/534250050.db2.gz ALQZSRQGYVHPQL-VHSXEESVSA-N 0 3 317.349 1.636 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1(N(C)C)CC1 ZINC000419824570 534336413 /nfs/dbraw/zinc/33/64/13/534336413.db2.gz ZGRXYWBFOJEGJF-UHFFFAOYSA-N 0 3 320.349 1.052 20 5 DDBDHN CCN1CCCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000158198653 521612655 /nfs/dbraw/zinc/61/26/55/521612655.db2.gz PUQWPKFCVMMZAB-UHFFFAOYSA-N 0 3 320.393 1.869 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC(C)C)CC1 ZINC000156841427 521792607 /nfs/dbraw/zinc/79/26/07/521792607.db2.gz XEYBBHDLMIDTHM-UHFFFAOYSA-N 0 3 320.393 1.732 20 5 DDBDHN Cc1cnn(CC2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000331822395 534738185 /nfs/dbraw/zinc/73/81/85/534738185.db2.gz HSWCWHNYNDIAQH-UHFFFAOYSA-N 0 3 318.381 1.708 20 5 DDBDHN CC(C)(C)OC(=O)[C@@]1(C)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000459575334 526514559 /nfs/dbraw/zinc/51/45/59/526514559.db2.gz FJAAWLOTPGMXLO-HNNXBMFYSA-N 0 3 324.381 1.845 20 5 DDBDHN CC(C)N(C)CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000299517422 528809337 /nfs/dbraw/zinc/80/93/37/528809337.db2.gz XBGPPGBZCPRYEU-UHFFFAOYSA-N 0 3 320.393 1.584 20 5 DDBDHN CC[NH+](CC)CCSc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821197449 606222807 /nfs/dbraw/zinc/22/28/07/606222807.db2.gz LGAGCZDEDBMGDF-UHFFFAOYSA-N 0 3 323.382 1.604 20 5 DDBDHN C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000820770243 606804058 /nfs/dbraw/zinc/80/40/58/606804058.db2.gz ZXKHRZLCIRHXKF-NOZJJQNGSA-N 0 3 317.353 1.161 20 5 DDBDHN C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000820770243 606804060 /nfs/dbraw/zinc/80/40/60/606804060.db2.gz ZXKHRZLCIRHXKF-NOZJJQNGSA-N 0 3 317.353 1.161 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000078231710 696448519 /nfs/dbraw/zinc/44/85/19/696448519.db2.gz OTXCSKKCCUKYJX-LLVKDONJSA-N 0 3 322.321 1.717 20 5 DDBDHN CCN(CC)CCS(=O)(=O)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000786944872 699181478 /nfs/dbraw/zinc/18/14/78/699181478.db2.gz VGWLZBMQERXUKX-UHFFFAOYSA-N 0 3 320.342 1.784 20 5 DDBDHN CN1CC[C@@](O)(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000762715297 700904190 /nfs/dbraw/zinc/90/41/90/700904190.db2.gz BCVCMXSAFDSHKQ-CYBMUJFWSA-N 0 3 313.741 1.045 20 5 DDBDHN CCN(CC)CCS(=O)(=O)Oc1c(F)cccc1[N+](=O)[O-] ZINC000810064095 701718909 /nfs/dbraw/zinc/71/89/09/701718909.db2.gz REZCDDGYDPVJJL-UHFFFAOYSA-N 0 3 320.342 1.784 20 5 DDBDHN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)CN1Cc1ccccc1 ZINC000839718433 701795873 /nfs/dbraw/zinc/79/58/73/701795873.db2.gz POWFVVJUBHXFIP-OCVGTWLNSA-N 0 3 317.389 1.773 20 5 DDBDHN CCCCC(=O)N1CSC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104043 702292165 /nfs/dbraw/zinc/29/21/65/702292165.db2.gz JCIGVXNRVZFWQM-ZJUUUORDSA-N 0 3 304.368 1.287 20 5 DDBDHN CC(COC(=O)c1nn(-c2ccc(F)cc2)ccc1=O)[N+](=O)[O-] ZINC000813109882 702296322 /nfs/dbraw/zinc/29/63/22/702296322.db2.gz XFZZFNCVQRGKLF-VIFPVBQESA-N 0 3 321.264 1.194 20 5 DDBDHN CN(C)c1ncccc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818958863 704035520 /nfs/dbraw/zinc/03/55/20/704035520.db2.gz YKIRRDUXHZVUGB-OAHLLOKOSA-N 0 3 316.361 1.879 20 5 DDBDHN C[C@@H]1C[C@@H]1N1C[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000819123034 704072597 /nfs/dbraw/zinc/07/25/97/704072597.db2.gz SLFJPZLAWGPPRF-DWZYQQQCSA-N 0 3 319.361 1.227 20 5 DDBDHN [NH3+]C[C@H]([N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000857766040 704622317 /nfs/dbraw/zinc/62/23/17/704622317.db2.gz XPYBXPMFBYFNML-NSHDSACASA-N 0 3 315.276 1.420 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CC[C@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874842041 705196980 /nfs/dbraw/zinc/19/69/80/705196980.db2.gz ZNFYMKGSWSYDER-WDEREUQCSA-N 0 3 307.354 1.189 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874842041 705196982 /nfs/dbraw/zinc/19/69/82/705196982.db2.gz ZNFYMKGSWSYDER-WDEREUQCSA-N 0 3 307.354 1.189 20 5 DDBDHN COC(=O)C1=CC[C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000862466152 705720003 /nfs/dbraw/zinc/72/00/03/705720003.db2.gz OAQNPPQOELZZJS-GFCCVEGCSA-N 0 3 306.318 1.955 20 5 DDBDHN CCN1CCCC[C@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825830354 705735146 /nfs/dbraw/zinc/73/51/46/705735146.db2.gz KNQHOVDEIUKUMP-LSDHHAIUSA-N 0 3 321.377 1.619 20 5 DDBDHN CS[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H]1N(C)C ZINC000827426503 705997999 /nfs/dbraw/zinc/99/79/99/705997999.db2.gz SAWUMMKBIUZZTE-MNOVXSKESA-N 0 3 303.428 1.326 20 5 DDBDHN CO[C@@H]1COCC[C@@H]1N(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880434020 706975313 /nfs/dbraw/zinc/97/53/13/706975313.db2.gz VOMMNTDVPXIFIM-RRFJBIMHSA-N 0 3 310.350 1.364 20 5 DDBDHN COC[C@@H](C)OC[C@@H](O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000872230949 707339902 /nfs/dbraw/zinc/33/99/02/707339902.db2.gz ASBARUGRHANRIS-OCCSQVGLSA-N 0 3 312.366 1.405 20 5 DDBDHN Cc1nc(N2CC[C@@H]3[C@@H]2CCCN3CCO)ccc1[N+](=O)[O-] ZINC000897221120 708258712 /nfs/dbraw/zinc/25/87/12/708258712.db2.gz HLOXKMMTJRIJSF-KGLIPLIRSA-N 0 3 306.366 1.334 20 5 DDBDHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000897683208 708418753 /nfs/dbraw/zinc/41/87/53/708418753.db2.gz ATSMIWYWIBSXOU-IAQYHMDHSA-N 0 3 316.361 1.808 20 5 DDBDHN C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000886160427 708707791 /nfs/dbraw/zinc/70/77/91/708707791.db2.gz SVLJNRVOFCZLAZ-LBPRGKRZSA-N 0 3 308.382 1.267 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CCCN(CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000910286366 709867109 /nfs/dbraw/zinc/86/71/09/709867109.db2.gz GPTVXIKTWPKVDJ-SNVBAGLBSA-N 0 3 309.370 1.437 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CCCN(CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000910286366 709867112 /nfs/dbraw/zinc/86/71/12/709867112.db2.gz GPTVXIKTWPKVDJ-SNVBAGLBSA-N 0 3 309.370 1.437 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCN1C ZINC000928448990 713201559 /nfs/dbraw/zinc/20/15/59/713201559.db2.gz DGOWJJVFLKARCK-SCZZXKLOSA-N 0 3 307.306 1.146 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2cnn(CCF)c2)cc1 ZINC000921703939 713848686 /nfs/dbraw/zinc/84/86/86/713848686.db2.gz DUVGEPYXHFQNGR-CQSZACIVSA-N 0 3 308.313 1.584 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H](O)c1ccnn1C ZINC000922975665 714202085 /nfs/dbraw/zinc/20/20/85/714202085.db2.gz WNBISQYFWBVVRD-HNNXBMFYSA-N 0 3 304.350 1.768 20 5 DDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000923312880 714308082 /nfs/dbraw/zinc/30/80/82/714308082.db2.gz MMYONLCYFOYMMV-UONOGXRCSA-N 0 3 303.362 1.832 20 5 DDBDHN CC1(C)CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCN1 ZINC000934055517 714733089 /nfs/dbraw/zinc/73/30/89/714733089.db2.gz LETFYCHTNJJSHT-ZIAGYGMSSA-N 0 3 303.362 1.909 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000925317519 714807023 /nfs/dbraw/zinc/80/70/23/714807023.db2.gz MCKAOCIKYMURRK-DGCLKSJQSA-N 0 3 306.366 1.829 20 5 DDBDHN Cc1c[nH]c(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])n1 ZINC001167963804 740264655 /nfs/dbraw/zinc/26/46/55/740264655.db2.gz NFASQWYFCOQYKZ-UHFFFAOYSA-N 0 3 317.349 1.536 20 5 DDBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CNCCO1 ZINC001170566183 768167072 /nfs/dbraw/zinc/16/70/72/768167072.db2.gz DVMMFALMUKLILM-XCBNKYQSSA-N 0 3 320.271 1.797 20 5 DDBDHN Cc1cnoc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001170037106 764284169 /nfs/dbraw/zinc/28/41/69/764284169.db2.gz GZAHDMQHRTZYPY-UHFFFAOYSA-N 0 3 324.362 1.862 20 5 DDBDHN COC(=O)c1c(C)c([N+](=O)[O-])ccc1N[C@@H](C)[C@@H]1CNCCO1 ZINC001170574644 768224193 /nfs/dbraw/zinc/22/41/93/768224193.db2.gz NGUWGOQPWWDAIS-GWCFXTLKSA-N 0 3 323.349 1.479 20 5 DDBDHN Cc1[nH]cnc1CC(=O)NCCNc1ncc(C)cc1[N+](=O)[O-] ZINC001093776489 775101623 /nfs/dbraw/zinc/10/16/23/775101623.db2.gz GVUWCAKOKYVWBS-UHFFFAOYSA-N 0 3 318.337 1.101 20 5 DDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](CN(C)C)C1 ZINC001173221205 777053126 /nfs/dbraw/zinc/05/31/26/777053126.db2.gz GIQLIJCMEUEEAR-BBRMVZONSA-N 0 3 307.394 1.788 20 5 DDBDHN CCOCCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001155643597 862330414 /nfs/dbraw/zinc/33/04/14/862330414.db2.gz FEVCIVOHEQRASU-UHFFFAOYSA-N 0 3 309.366 1.617 20 5 DDBDHN O=C(Cc1cc[nH]n1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001156081353 862708435 /nfs/dbraw/zinc/70/84/35/862708435.db2.gz FNKRYRQVOFHSAN-UHFFFAOYSA-N 0 3 317.349 1.157 20 5 DDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001121939128 858640410 /nfs/dbraw/zinc/64/04/10/858640410.db2.gz ZYXSDKHFOCUETM-RBDSIQFVSA-N 0 3 303.362 1.907 20 5 DDBDHN Cc1noc(C)c1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001123363881 859196567 /nfs/dbraw/zinc/19/65/67/859196567.db2.gz VMYLZLHJLSSKSV-UHFFFAOYSA-N 0 3 318.333 1.719 20 5 DDBDHN CC(C)C(=O)N(CCO)CCNCc1cccc([N+](=O)[O-])c1 ZINC001325980323 861012416 /nfs/dbraw/zinc/01/24/16/861012416.db2.gz NFZNGOQOCBQTMU-UHFFFAOYSA-N 0 3 309.366 1.161 20 5 DDBDHN CN1CCC[C@@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@@H]21 ZINC001157271045 863700935 /nfs/dbraw/zinc/70/09/35/863700935.db2.gz HGXSPGPUIWXBTK-KOLCDFICSA-N 0 3 312.757 1.412 20 5 DDBDHN Cc1c(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)cccc1[N+](=O)[O-] ZINC001153776751 864091867 /nfs/dbraw/zinc/09/18/67/864091867.db2.gz FYPRDQKXLMTDLM-QWHCGFSZSA-N 0 3 319.361 1.184 20 5 DDBDHN CC(C)N1CCC[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC001153801749 864115122 /nfs/dbraw/zinc/11/51/22/864115122.db2.gz BPWGHKOKJYZAMH-GFCCVEGCSA-N 0 3 323.397 1.515 20 5 DDBDHN Cc1c(CC[NH3+])c(=O)[n-]n1-c1ncc([N+](=O)[O-])c2ccccc21 ZINC001159294244 865210779 /nfs/dbraw/zinc/21/07/79/865210779.db2.gz ZYTQOHDNEDRQKA-UHFFFAOYSA-N 0 3 313.317 1.844 20 5 DDBDHN Nc1cc(N2CCC(CN3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC001336982483 869244625 /nfs/dbraw/zinc/24/46/25/869244625.db2.gz FJNCKSNUENRKAN-UHFFFAOYSA-N 0 3 321.381 1.121 20 5 DDBDHN N[C@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C[C@H]1F ZINC001165121791 869391563 /nfs/dbraw/zinc/39/15/63/869391563.db2.gz WPQZCQVIZJRBQQ-RQJHMYQMSA-N 0 3 310.663 1.674 20 5 DDBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ccns1 ZINC001317591660 871158537 /nfs/dbraw/zinc/15/85/37/871158537.db2.gz IWPDVKNCOAATID-UHFFFAOYSA-N 0 3 320.374 1.913 20 5 DDBDHN COC[C@H](CC[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-])OC ZINC001308858408 871534476 /nfs/dbraw/zinc/53/44/76/871534476.db2.gz CYQUEUQXVDUQFR-NSHDSACASA-N 0 3 314.338 1.450 20 5 DDBDHN Cc1ccc(C(=O)N2CCC3(CC2)CNCCO3)cc1[N+](=O)[O-] ZINC001341323061 871605244 /nfs/dbraw/zinc/60/52/44/871605244.db2.gz IOVUFUZNXXTWJO-UHFFFAOYSA-N 0 3 319.361 1.498 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2COC3(CNC3)C2)c1C ZINC001342214986 872074498 /nfs/dbraw/zinc/07/44/98/872074498.db2.gz IQKVAHHSJBJQJJ-NSHDSACASA-N 0 3 305.334 1.072 20 5 DDBDHN O=C(N[C@@H]1COC2(CNC2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001342216888 872079065 /nfs/dbraw/zinc/07/90/65/872079065.db2.gz XMRBWRCSSQBSPR-VIFPVBQESA-N 0 3 311.725 1.109 20 5 DDBDHN CO[C@@H]1CC[N@H+](CCOc2nc3cc(C)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001228673567 883611694 /nfs/dbraw/zinc/61/16/94/883611694.db2.gz HJCLHXJILKHJRS-LLVKDONJSA-N 0 3 320.349 1.879 20 5 DDBDHN CO[C@@H]1CC[N@@H+](CCOc2nc3cc(C)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001228673567 883611698 /nfs/dbraw/zinc/61/16/98/883611698.db2.gz HJCLHXJILKHJRS-LLVKDONJSA-N 0 3 320.349 1.879 20 5 DDBDHN C[C@]1(CO)CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001254545136 896496365 /nfs/dbraw/zinc/49/63/65/896496365.db2.gz JEBJSZLTNZEBCX-BBRMVZONSA-N 0 3 324.377 1.429 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@]1(C)CCS(=O)(=O)C1 ZINC001254541986 896496810 /nfs/dbraw/zinc/49/68/10/896496810.db2.gz KHVZXXDYLMDFPQ-BXUZGUMPSA-N 0 3 312.391 1.693 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)n1 ZINC000248664419 282097542 /nfs/dbraw/zinc/09/75/42/282097542.db2.gz KYURIMWZMSHPGJ-MNOVXSKESA-N 0 3 307.354 1.120 20 5 DDBDHN C[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000248994357 282125311 /nfs/dbraw/zinc/12/53/11/282125311.db2.gz XTJXPORVIIWHPV-KYOSRNDESA-N 0 3 310.350 1.037 20 5 DDBDHN CO[C@@H]1CCC[C@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451634022 231146214 /nfs/dbraw/zinc/14/62/14/231146214.db2.gz TXHZIBORUCWLHD-QLFBSQMISA-N 0 3 319.361 1.857 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)C[C@@H](C)[NH3+] ZINC000320604128 290820489 /nfs/dbraw/zinc/82/04/89/290820489.db2.gz XLBOBSTUGUNEAL-RKDXNWHRSA-N 0 3 317.367 1.008 20 5 DDBDHN CC(C)(O)C(C)(C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000272611868 210010974 /nfs/dbraw/zinc/01/09/74/210010974.db2.gz RCYJKWQAXLEVRR-UHFFFAOYSA-N 0 3 321.377 1.623 20 5 DDBDHN COc1cc(C(=O)N2CCN[C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000277434356 213522754 /nfs/dbraw/zinc/52/27/54/213522754.db2.gz CULVNWUKXWCPQP-UWVGGRQHSA-N 0 3 323.349 1.434 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358466566 299162515 /nfs/dbraw/zinc/16/25/15/299162515.db2.gz XROBKILXXXNTNF-HNNXBMFYSA-N 0 3 322.365 1.400 20 5 DDBDHN COCCCN(C)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000152537146 186083425 /nfs/dbraw/zinc/08/34/25/186083425.db2.gz DSVZRLHBDONWON-RMKNXTFCSA-N 0 3 321.377 1.693 20 5 DDBDHN CC(C)(CNC(=O)Cn1cc([N+](=O)[O-])cn1)N1CCCCC1 ZINC000047954816 352517671 /nfs/dbraw/zinc/51/76/71/352517671.db2.gz ZXBKIYVWEUDMKD-UHFFFAOYSA-N 0 3 309.370 1.172 20 5 DDBDHN C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000052641422 352621063 /nfs/dbraw/zinc/62/10/63/352621063.db2.gz BXRHUFDQAYFTSS-ZDUSSCGKSA-N 0 3 320.393 1.997 20 5 DDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173213437 198196524 /nfs/dbraw/zinc/19/65/24/198196524.db2.gz RHBTUNGJJKYYNF-WFASDCNBSA-N 0 3 305.378 1.936 20 5 DDBDHN CC(=O)NC[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000067413200 353047556 /nfs/dbraw/zinc/04/75/56/353047556.db2.gz GDYCPJAYVACURP-AWEZNQCLSA-N 0 3 321.377 1.822 20 5 DDBDHN CN(C)[C@@H]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000080491739 353611625 /nfs/dbraw/zinc/61/16/25/353611625.db2.gz HCANTSOJBTXLMY-CQSZACIVSA-N 0 3 320.393 1.873 20 5 DDBDHN CCOc1cc(CN(C[C@@H](C)O)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000276972774 213211238 /nfs/dbraw/zinc/21/12/38/213211238.db2.gz XFELUBQVIIKZMC-VXGBXAGGSA-N 0 3 312.366 1.557 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000590660003 355140142 /nfs/dbraw/zinc/14/01/42/355140142.db2.gz YQQCVPQNYLDXDG-SWLSCSKDSA-N 0 3 319.361 1.517 20 5 DDBDHN Cc1n[nH]cc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591724891 355371922 /nfs/dbraw/zinc/37/19/22/355371922.db2.gz NBOHNOWXXMVVOB-CYBMUJFWSA-N 0 3 306.322 1.156 20 5 DDBDHN CC1(C)CN[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000591675190 355359511 /nfs/dbraw/zinc/35/95/11/355359511.db2.gz XYQDKDBHJZRSAH-AWEZNQCLSA-N 0 3 318.377 1.241 20 5 DDBDHN Cn1c(C(=O)Nc2cnc3c(c2)CNCC3)ccc1[N+](=O)[O-] ZINC000591681283 355361126 /nfs/dbraw/zinc/36/11/26/355361126.db2.gz ARVKXZVRMSTHFA-UHFFFAOYSA-N 0 3 301.306 1.226 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CN(CCN(C)C)C(=O)[C@@H]2C)n1 ZINC000591984317 355453085 /nfs/dbraw/zinc/45/30/85/355453085.db2.gz DMZGNKXAQIRHOE-LBPRGKRZSA-N 0 3 321.381 1.163 20 5 DDBDHN CC(C)[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CCN1 ZINC000592247903 355546736 /nfs/dbraw/zinc/54/67/36/355546736.db2.gz VPHWVDNEALJXBQ-CQSZACIVSA-N 0 3 320.393 1.853 20 5 DDBDHN Cc1ccc(CN2CN(CCN(C)C)C(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000592523784 355611945 /nfs/dbraw/zinc/61/19/45/355611945.db2.gz BSYQCWLPIGLTRE-CYBMUJFWSA-N 0 3 320.393 1.455 20 5 DDBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1csc([N+](=O)[O-])c1 ZINC000592523756 355612016 /nfs/dbraw/zinc/61/20/16/355612016.db2.gz ASWXZXBSOQNROH-SNVBAGLBSA-N 0 3 312.395 1.208 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000593485965 355900147 /nfs/dbraw/zinc/90/01/47/355900147.db2.gz DRZSJBMUUCYXHG-GXFFZTMASA-N 0 3 309.341 1.875 20 5 DDBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])cn1 ZINC000594195392 356135780 /nfs/dbraw/zinc/13/57/80/356135780.db2.gz GKRZYTBDVXILAL-GXTWGEPZSA-N 0 3 304.350 1.737 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](CN)C(F)(F)F ZINC000594452635 356222813 /nfs/dbraw/zinc/22/28/13/356222813.db2.gz QGQPQDQORPFTHN-SNVBAGLBSA-N 0 3 305.256 1.831 20 5 DDBDHN CC[C@@H](NC[C@@]1(OCCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595077356 356378769 /nfs/dbraw/zinc/37/87/69/356378769.db2.gz HHTNEFFLQFGPPA-CVEARBPZSA-N 0 3 324.377 1.804 20 5 DDBDHN CN(C(=O)CN[C@@H](CO)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000595618011 356580020 /nfs/dbraw/zinc/58/00/20/356580020.db2.gz WCAUVVCTYZPQKX-AWEZNQCLSA-N 0 3 307.350 1.308 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1O ZINC000595748317 356634810 /nfs/dbraw/zinc/63/48/10/356634810.db2.gz FNDKNAFLWDZUBV-BZPMIXESSA-N 0 3 324.377 1.283 20 5 DDBDHN C[C@]12COC[C@@H]1CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000595754983 356637553 /nfs/dbraw/zinc/63/75/53/356637553.db2.gz DOMQTFNESKNIKO-BJJXKVORSA-N 0 3 322.361 1.303 20 5 DDBDHN CCC[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CCN1CCOC ZINC000596177476 356802980 /nfs/dbraw/zinc/80/29/80/356802980.db2.gz LWRWWDDXJOWOTF-LBPRGKRZSA-N 0 3 323.397 1.509 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2CCN[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598574512 357637984 /nfs/dbraw/zinc/63/79/84/357637984.db2.gz RHDNQAHQALDEGK-NSHDSACASA-N 0 3 309.370 1.340 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2CCN[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598574512 357637987 /nfs/dbraw/zinc/63/79/87/357637987.db2.gz RHDNQAHQALDEGK-NSHDSACASA-N 0 3 309.370 1.340 20 5 DDBDHN CC1(C)C[C@H](NCCN2CC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000599086205 357811409 /nfs/dbraw/zinc/81/14/09/357811409.db2.gz ZJDMZVLBZNWJNP-CJNGLKHVSA-N 0 3 319.405 1.973 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1COCCN1C ZINC000599004612 357790748 /nfs/dbraw/zinc/79/07/48/357790748.db2.gz UQTQXKQFGABDTL-AWEZNQCLSA-N 0 3 309.366 1.414 20 5 DDBDHN CCOC(=O)C[C@@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000599353590 357905447 /nfs/dbraw/zinc/90/54/47/357905447.db2.gz JQVZWORFZLATKR-WCQYABFASA-N 0 3 310.350 1.868 20 5 DDBDHN O=[N+]([O-])c1cc(F)ccc1-c1cnc(N2CCNCC2)nc1 ZINC000600845186 358330549 /nfs/dbraw/zinc/33/05/49/358330549.db2.gz JPKKQVFDJXCOMY-UHFFFAOYSA-N 0 3 303.297 1.601 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CN1C1CC1 ZINC000180854361 199219046 /nfs/dbraw/zinc/21/90/46/199219046.db2.gz XSNCBTBHPRGMNV-ZJUUUORDSA-N 0 3 304.350 1.532 20 5 DDBDHN CCN1CCN(CCCNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601104362 358403554 /nfs/dbraw/zinc/40/35/54/358403554.db2.gz UHFDKTITOMXFSR-UHFFFAOYSA-N 0 3 311.361 1.568 20 5 DDBDHN CCN1CCC[C@@H]1CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000276510831 212927782 /nfs/dbraw/zinc/92/77/82/212927782.db2.gz DTXNBLDIJCIQQA-LLVKDONJSA-N 0 3 308.338 1.673 20 5 DDBDHN COC[C@@]1(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCCCN1 ZINC000602443407 358980637 /nfs/dbraw/zinc/98/06/37/358980637.db2.gz UWRXEKYCHKYUKD-BLLLJJGKSA-N 0 3 321.377 1.931 20 5 DDBDHN C[C@]12CN(Cc3cccc([N+](=O)[O-])c3)C[C@]1(C)C(=O)NC2=O ZINC000602729699 359153227 /nfs/dbraw/zinc/15/32/27/359153227.db2.gz BLYSWXFOZUHBKB-HUUCEWRRSA-N 0 3 303.318 1.079 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C2CCCC2)CC1 ZINC000602764500 359174160 /nfs/dbraw/zinc/17/41/60/359174160.db2.gz XQLFSQPAOWWZTM-UHFFFAOYSA-N 0 3 307.398 1.660 20 5 DDBDHN Cn1cc(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c([N+](=O)[O-])n1 ZINC000602837064 359227747 /nfs/dbraw/zinc/22/77/47/359227747.db2.gz SSLCJSSRUCPKKP-MGPQQGTHSA-N 0 3 308.382 1.844 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@]1(CO)CCc2ccccc21 ZINC000602800182 359200563 /nfs/dbraw/zinc/20/05/63/359200563.db2.gz WNJCBAAKODETNA-INIZCTEOSA-N 0 3 316.361 1.523 20 5 DDBDHN Cn1cc(CN[C@H]2CCN(C)[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602822938 359217509 /nfs/dbraw/zinc/21/75/09/359217509.db2.gz HJXFEDOHUVNYHR-GJZGRUSLSA-N 0 3 315.377 1.863 20 5 DDBDHN CCCN(C(=O)Nc1c(C)cncc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000602961593 359325616 /nfs/dbraw/zinc/32/56/16/359325616.db2.gz WJTKGAHDVBRHJL-LBPRGKRZSA-N 0 3 321.381 1.668 20 5 DDBDHN CCN(C)C(=O)CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000186809229 200013862 /nfs/dbraw/zinc/01/38/62/200013862.db2.gz SPWASMXBGOOBEQ-NSHDSACASA-N 0 3 322.365 1.380 20 5 DDBDHN CCN(C)C(=O)CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000186819144 200016609 /nfs/dbraw/zinc/01/66/09/200016609.db2.gz XTKIYLVWCGZPOS-AWEZNQCLSA-N 0 3 305.378 1.984 20 5 DDBDHN CN1CCC[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000604485749 359756461 /nfs/dbraw/zinc/75/64/61/359756461.db2.gz WMMUBKBQKYMSTM-ZDUSSCGKSA-N 0 3 316.361 1.760 20 5 DDBDHN NC1(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCC1 ZINC000237903859 202385243 /nfs/dbraw/zinc/38/52/43/202385243.db2.gz VVWHGCHGGJNCET-LLVKDONJSA-N 0 3 319.365 1.274 20 5 DDBDHN COc1cc(C[NH2+]CCCn2cncn2)c([N+](=O)[O-])cc1[O-] ZINC000608781856 360242116 /nfs/dbraw/zinc/24/21/16/360242116.db2.gz OCGVVWWXBWXNGY-UHFFFAOYSA-N 0 3 307.310 1.080 20 5 DDBDHN CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000609631761 360339204 /nfs/dbraw/zinc/33/92/04/360339204.db2.gz VPCPNGQEWWRJNU-ZDUSSCGKSA-N 0 3 321.377 1.916 20 5 DDBDHN COc1ccc(CC(=O)N2CCN(C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000609584783 360329212 /nfs/dbraw/zinc/32/92/12/360329212.db2.gz ITLHELYXWFRKQB-LBPRGKRZSA-N 0 3 321.377 1.699 20 5 DDBDHN COc1ccc(CC(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000610208766 360390658 /nfs/dbraw/zinc/39/06/58/360390658.db2.gz KRPRCMCVDQXJMO-AAEUAGOBSA-N 0 3 321.377 1.745 20 5 DDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000610808456 360541929 /nfs/dbraw/zinc/54/19/29/360541929.db2.gz SOCHJZGXYXZZBC-NSHDSACASA-N 0 3 324.406 1.399 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC(Cc3ccccc3)C2)c1 ZINC000611178179 360650417 /nfs/dbraw/zinc/65/04/17/360650417.db2.gz WKTLCLOCFDEROT-INIZCTEOSA-N 0 3 316.361 1.327 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1N1CCCC1 ZINC000274977258 212054286 /nfs/dbraw/zinc/05/42/86/212054286.db2.gz BEJLSWMTYBERAA-VXGBXAGGSA-N 0 3 324.406 1.575 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000264612470 204028613 /nfs/dbraw/zinc/02/86/13/204028613.db2.gz PGJKRFZKPASXKK-NSHDSACASA-N 0 3 323.397 1.875 20 5 DDBDHN C[C@@H](Cn1cccn1)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264846012 204204973 /nfs/dbraw/zinc/20/49/73/204204973.db2.gz IDEXSSPUABKGQA-RYUDHWBXSA-N 0 3 317.349 1.797 20 5 DDBDHN Cc1nn(C)c(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288382079 220121835 /nfs/dbraw/zinc/12/18/35/220121835.db2.gz LUXDJURGMBVELM-PWSUYJOCSA-N 0 3 321.381 1.336 20 5 DDBDHN CN(C)[C@@]1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CCSC1 ZINC000267456875 206082430 /nfs/dbraw/zinc/08/24/30/206082430.db2.gz QKMATSHUNLHEBL-CQSZACIVSA-N 0 3 324.406 1.344 20 5 DDBDHN C[C@H](NC[C@@H](O)COC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000567123736 304198946 /nfs/dbraw/zinc/19/89/46/304198946.db2.gz ASLNBIVQSVQECH-APHBMKBZSA-N 0 3 324.377 1.802 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000292892564 248784425 /nfs/dbraw/zinc/78/44/25/248784425.db2.gz GATGAARXVCUNSP-UHFFFAOYSA-N 0 3 315.395 1.442 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)[C@H]1CCOC1 ZINC000337220609 249396204 /nfs/dbraw/zinc/39/62/04/249396204.db2.gz LTVLRFWWEADULH-NEPJUHHUSA-N 0 3 307.350 1.856 20 5 DDBDHN COCCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000339188258 250334548 /nfs/dbraw/zinc/33/45/48/250334548.db2.gz QJWIIHHEQPJNPM-UHFFFAOYSA-N 0 3 324.381 1.164 20 5 DDBDHN CN(C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000285183034 218323532 /nfs/dbraw/zinc/32/35/32/218323532.db2.gz RKRQTCPKCZHNNI-UHFFFAOYSA-N 0 3 319.321 1.511 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@](O)(C(N)=O)C1 ZINC000286103538 292295906 /nfs/dbraw/zinc/29/59/06/292295906.db2.gz IMKWPJREWIEHLL-NHYWBVRUSA-N 0 3 307.350 1.276 20 5 DDBDHN CN(C(=O)CN[C@H]1C[C@H](O)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000570525071 304413536 /nfs/dbraw/zinc/41/35/36/304413536.db2.gz GSFCHURPCLXOIW-STQMWFEESA-N 0 3 307.350 1.307 20 5 DDBDHN COc1ccc(NC(=O)CCN2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000026227982 406903630 /nfs/dbraw/zinc/90/36/30/406903630.db2.gz ZKBRZMPWDCDYJK-UHFFFAOYSA-N 0 3 323.349 1.389 20 5 DDBDHN Cc1ccc([C@@H](C)NCCN2C(=O)CCC2=O)cc1[N+](=O)[O-] ZINC000089683477 407144357 /nfs/dbraw/zinc/14/43/57/407144357.db2.gz YUXHDPJFIDJORV-LLVKDONJSA-N 0 3 305.334 1.703 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000102486964 407323748 /nfs/dbraw/zinc/32/37/48/407323748.db2.gz IDMTWLYJRKIHBE-CYBMUJFWSA-N 0 3 323.397 1.399 20 5 DDBDHN CC[C@@H](C)[N@H+](C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000067118875 407267399 /nfs/dbraw/zinc/26/73/99/407267399.db2.gz CMEAPEWZXJZZIR-SECBINFHSA-N 0 3 321.424 1.665 20 5 DDBDHN CC[C@@H](C)[N@@H+](C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000067118875 407267400 /nfs/dbraw/zinc/26/74/00/407267400.db2.gz CMEAPEWZXJZZIR-SECBINFHSA-N 0 3 321.424 1.665 20 5 DDBDHN CNC(=O)[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000111265913 407403962 /nfs/dbraw/zinc/40/39/62/407403962.db2.gz IMYRYRYBWOLBGF-LBPRGKRZSA-N 0 3 307.350 1.432 20 5 DDBDHN N[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCOCC1 ZINC000261680777 407577515 /nfs/dbraw/zinc/57/75/15/407577515.db2.gz GYYUVAYHWKCZLX-HNNXBMFYSA-N 0 3 319.361 1.233 20 5 DDBDHN CN(C)[C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000170860682 407534084 /nfs/dbraw/zinc/53/40/84/407534084.db2.gz SRLMYIJBFLKAIS-ZDUSSCGKSA-N 0 3 318.377 1.945 20 5 DDBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H](CCO)c1ccccc1 ZINC000266940279 407683416 /nfs/dbraw/zinc/68/34/16/407683416.db2.gz PRMMKQAQSFIAMS-HNNXBMFYSA-N 0 3 304.350 1.847 20 5 DDBDHN Cc1c(CNC(=O)C[C@@H]2CSCCN2)cccc1[N+](=O)[O-] ZINC000231856013 407700874 /nfs/dbraw/zinc/70/08/74/407700874.db2.gz FVEJJJVFXNYWHF-GFCCVEGCSA-N 0 3 309.391 1.615 20 5 DDBDHN CCc1ccc(C(=O)NC[C@](C)(O)CN(C)C)cc1[N+](=O)[O-] ZINC000153091473 407749614 /nfs/dbraw/zinc/74/96/14/407749614.db2.gz MDNDHTDNABBCJS-HNNXBMFYSA-N 0 3 309.366 1.200 20 5 DDBDHN CN(C)[C@@]1(CNC(=O)c2ccccc2[N+](=O)[O-])CCSC1 ZINC000267141456 407765139 /nfs/dbraw/zinc/76/51/39/407765139.db2.gz UNDUKVWSAVUJNJ-CQSZACIVSA-N 0 3 309.391 1.762 20 5 DDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000134306172 407895597 /nfs/dbraw/zinc/89/55/97/407895597.db2.gz QKULMJMVVSFIEQ-GFCCVEGCSA-N 0 3 307.325 1.948 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](CO)c1ccc(F)cc1 ZINC000273079817 408046857 /nfs/dbraw/zinc/04/68/57/408046857.db2.gz HEZGILSZBFQWAM-AWEZNQCLSA-N 0 3 321.308 1.219 20 5 DDBDHN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CCN1CC(C)(C)O ZINC000189899942 408132585 /nfs/dbraw/zinc/13/25/85/408132585.db2.gz WGMFJVXYLFZBGQ-CQSZACIVSA-N 0 3 321.421 1.914 20 5 DDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CNC[C@H]1CCCO1 ZINC000269259502 408235220 /nfs/dbraw/zinc/23/52/20/408235220.db2.gz YRZMDSSUXFVZOC-CYBMUJFWSA-N 0 3 307.350 1.322 20 5 DDBDHN CC[C@](C)(NCCOc1ccc(OC)cc1[N+](=O)[O-])C(N)=O ZINC000133427803 162058998 /nfs/dbraw/zinc/05/89/98/162058998.db2.gz XDASDJZIHYEIIG-AWEZNQCLSA-N 0 3 311.338 1.226 20 5 DDBDHN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCO1 ZINC000183142334 408337181 /nfs/dbraw/zinc/33/71/81/408337181.db2.gz HWPRLAGSQXNNNQ-IAQYHMDHSA-N 0 3 319.361 1.641 20 5 DDBDHN CCN1CCC[C@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000171100292 162206477 /nfs/dbraw/zinc/20/64/77/162206477.db2.gz YDSBMTBOJSVGAL-ZDUSSCGKSA-N 0 3 323.397 1.399 20 5 DDBDHN Nc1c(C(=O)N2CC[C@H](N3CCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000171439598 162217314 /nfs/dbraw/zinc/21/73/14/162217314.db2.gz NLVWVVKQMPHAJZ-NSHDSACASA-N 0 3 322.340 1.626 20 5 DDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000247285275 408444219 /nfs/dbraw/zinc/44/42/19/408444219.db2.gz GDPPBWZYJCQJLZ-GXTWGEPZSA-N 0 3 320.393 1.805 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC2CCN(C(C)C)CC2)n1 ZINC000191759225 408486061 /nfs/dbraw/zinc/48/60/61/408486061.db2.gz ZTUBMKGLZVMOLS-UHFFFAOYSA-N 0 3 309.370 1.414 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCC[C@H]2CCO)c1 ZINC000250046728 408773697 /nfs/dbraw/zinc/77/36/97/408773697.db2.gz CXIGFPVFGCSJGP-ZFWWWQNUSA-N 0 3 324.377 1.571 20 5 DDBDHN C[C@@H]1COCC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000277496506 408951934 /nfs/dbraw/zinc/95/19/34/408951934.db2.gz PDOQQJNLQUSEAL-BXUZGUMPSA-N 0 3 319.361 1.499 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCN(C)C1CC1 ZINC000277552488 408963723 /nfs/dbraw/zinc/96/37/23/408963723.db2.gz JANSLHDXRLEDJL-UHFFFAOYSA-N 0 3 307.350 1.770 20 5 DDBDHN O=C(CCN1CCCC[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000282193598 409007993 /nfs/dbraw/zinc/00/79/93/409007993.db2.gz BQTMJDQOCNJXHS-GFCCVEGCSA-N 0 3 307.350 1.770 20 5 DDBDHN CC(C)(NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000292245439 409008881 /nfs/dbraw/zinc/00/88/81/409008881.db2.gz XFEPNIJEGRHLEC-NSHDSACASA-N 0 3 312.391 1.854 20 5 DDBDHN CC[C@H](NC(=O)[C@H](N)CCC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000288830870 409185275 /nfs/dbraw/zinc/18/52/75/409185275.db2.gz UZVWDRFEWQFCIA-OLZOCXBDSA-N 0 3 323.349 1.443 20 5 DDBDHN C[C@H](NC[C@@H]1CN(C)CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293668333 409158314 /nfs/dbraw/zinc/15/83/14/409158314.db2.gz JPMLFWIXVHELFN-WCQYABFASA-N 0 3 307.398 1.073 20 5 DDBDHN C[C@H](NCCN1CCOC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293893571 409202015 /nfs/dbraw/zinc/20/20/15/409202015.db2.gz WACVSYOIXGVUJI-LBPRGKRZSA-N 0 3 322.409 1.938 20 5 DDBDHN CC1(C)[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000296177547 409454377 /nfs/dbraw/zinc/45/43/77/409454377.db2.gz LFUOTXCCEZNVNU-YUTCNCBUSA-N 0 3 319.361 1.597 20 5 DDBDHN COCC(=O)N1CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000315358680 164019323 /nfs/dbraw/zinc/01/93/23/164019323.db2.gz BMEBGYIESUQEHP-UHFFFAOYSA-N 0 3 307.350 1.322 20 5 DDBDHN CN(C)c1ncc(CNCCc2ccc([N+](=O)[O-])cc2)n1C ZINC000315618430 164019714 /nfs/dbraw/zinc/01/97/14/164019714.db2.gz OYEPXIPOFGVEMT-UHFFFAOYSA-N 0 3 303.366 1.727 20 5 DDBDHN C[C@@H](CN1CCCCCC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000331471625 409545413 /nfs/dbraw/zinc/54/54/13/409545413.db2.gz IEVPSUBHIXFSDH-NSHDSACASA-N 0 3 309.370 1.323 20 5 DDBDHN CCOc1cc(N(C)C2CCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000356727528 409554602 /nfs/dbraw/zinc/55/46/02/409554602.db2.gz DHBAOBPSSUJNHT-UHFFFAOYSA-N 0 3 323.393 1.886 20 5 DDBDHN CCc1ccc(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000304371957 409615995 /nfs/dbraw/zinc/61/59/95/409615995.db2.gz WICHQQOBOBVPNV-INIZCTEOSA-N 0 3 318.377 1.847 20 5 DDBDHN Cc1cnn(CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000331688643 409769785 /nfs/dbraw/zinc/76/97/85/409769785.db2.gz WFFVLBJKQOAZTK-UHFFFAOYSA-N 0 3 304.354 1.633 20 5 DDBDHN COCCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000342695698 409820807 /nfs/dbraw/zinc/82/08/07/409820807.db2.gz PTEULVODKBKSNJ-CYBMUJFWSA-N 0 3 310.350 1.445 20 5 DDBDHN Cc1n[nH]c(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000354664326 410002143 /nfs/dbraw/zinc/00/21/43/410002143.db2.gz QLWMGJWPHVGUCC-UWVGGRQHSA-N 0 3 309.370 1.619 20 5 DDBDHN CCN(C)CCNC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000298035778 410086144 /nfs/dbraw/zinc/08/61/44/410086144.db2.gz GBDJBJURJHKAIN-UHFFFAOYSA-N 0 3 322.365 1.218 20 5 DDBDHN CN(C)Cc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000192774788 306726178 /nfs/dbraw/zinc/72/61/78/306726178.db2.gz FNZUJHCJOWNPJE-UHFFFAOYSA-N 0 3 317.349 1.169 20 5 DDBDHN COC(=O)COc1ccc(CNCC[C@@H](C)F)cc1[N+](=O)[O-] ZINC000339498033 410236157 /nfs/dbraw/zinc/23/61/57/410236157.db2.gz XKLLZRWXFDPWBX-SNVBAGLBSA-N 0 3 314.313 1.984 20 5 DDBDHN C[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(C)C ZINC000298628355 410321116 /nfs/dbraw/zinc/32/11/16/410321116.db2.gz UBSKFTCEOADFDF-LLVKDONJSA-N 0 3 317.349 1.460 20 5 DDBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC2)C1 ZINC000347010714 410308459 /nfs/dbraw/zinc/30/84/59/410308459.db2.gz HIHHMBGAUOULKK-HNNXBMFYSA-N 0 3 303.362 1.832 20 5 DDBDHN C[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(C)C ZINC000298628358 410319696 /nfs/dbraw/zinc/31/96/96/410319696.db2.gz UBSKFTCEOADFDF-NSHDSACASA-N 0 3 317.349 1.460 20 5 DDBDHN C[C@@H]1CN(CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCCO1 ZINC000347187229 410378574 /nfs/dbraw/zinc/37/85/74/410378574.db2.gz KVJMEMUEHODSKM-LLVKDONJSA-N 0 3 310.354 1.154 20 5 DDBDHN C[C@H]1[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000343441164 410454806 /nfs/dbraw/zinc/45/48/06/410454806.db2.gz BXNVMZSQHMQHPT-SMDDNHRTSA-N 0 3 307.350 1.573 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343451720 410463916 /nfs/dbraw/zinc/46/39/16/410463916.db2.gz OLEBVOQRUXOEFW-OLZOCXBDSA-N 0 3 321.377 1.963 20 5 DDBDHN CCCN1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000301256056 410688055 /nfs/dbraw/zinc/68/80/55/410688055.db2.gz FOAVMABJQHIAHM-UHFFFAOYSA-N 0 3 307.354 1.011 20 5 DDBDHN Cc1nn(C)c(NC2CCN([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000301729363 410784339 /nfs/dbraw/zinc/78/43/39/410784339.db2.gz RPNSDPDSOKNYOD-GFCCVEGCSA-N 0 3 309.370 1.302 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(N)C(F)(F)F ZINC000353190560 410841036 /nfs/dbraw/zinc/84/10/36/410841036.db2.gz VRRNFCSEUKZNJX-VIFPVBQESA-N 0 3 307.228 1.109 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CC3(O)CCCC3)C2)nc1 ZINC000331420066 411080295 /nfs/dbraw/zinc/08/02/95/411080295.db2.gz KTPOLQGHQZDGFG-LBPRGKRZSA-N 0 3 306.366 1.781 20 5 DDBDHN COCCCN(C)CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134407463 196387340 /nfs/dbraw/zinc/38/73/40/196387340.db2.gz BPWDJWDWVYRILD-UHFFFAOYSA-N 0 3 313.329 1.432 20 5 DDBDHN C[C@@H](CO)[C@@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000295726221 225168070 /nfs/dbraw/zinc/16/80/70/225168070.db2.gz LOJZTZIVEOIQLD-WDEREUQCSA-N 0 3 307.350 1.090 20 5 DDBDHN C[C@H]1OCC[C@@H]1N(CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000361586783 418687908 /nfs/dbraw/zinc/68/79/08/418687908.db2.gz UJOCKURRZLRCRE-OLZOCXBDSA-N 0 3 310.350 1.445 20 5 DDBDHN Cc1c([C@H](C)NCCNc2cnccn2)cccc1[N+](=O)[O-] ZINC000361980121 418734183 /nfs/dbraw/zinc/73/41/83/418734183.db2.gz HGAUBZMMJUHLPD-LBPRGKRZSA-N 0 3 301.350 2.456 20 5 DDBDHN COC(=O)C[C@@]1(NCCOc2ccccc2[N+](=O)[O-])CCOC1 ZINC000362263728 418751237 /nfs/dbraw/zinc/75/12/37/418751237.db2.gz WMTBORSYNBTHII-HNNXBMFYSA-N 0 3 324.333 1.285 20 5 DDBDHN CN1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000411157156 418875188 /nfs/dbraw/zinc/87/51/88/418875188.db2.gz PXZGOYHOVWKEFD-OAHLLOKOSA-N 0 3 318.377 1.338 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN[C@@H]2c3ccccc3CC[C@H]2CO)n1 ZINC000365268466 418847641 /nfs/dbraw/zinc/84/76/41/418847641.db2.gz PMQOJHMPHHDWMM-BBRMVZONSA-N 0 3 316.361 1.677 20 5 DDBDHN Cc1nn(C)c(C(=O)Nc2cc(C)cc(CN)c2)c1[N+](=O)[O-] ZINC000424241911 228250264 /nfs/dbraw/zinc/25/02/64/228250264.db2.gz OJZSMRUZBVQASA-UHFFFAOYSA-N 0 3 303.322 1.656 20 5 DDBDHN COC[C@@H]1C[C@H](O)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411905765 419464903 /nfs/dbraw/zinc/46/49/03/419464903.db2.gz CDPHQUFCFPNGCX-RYUDHWBXSA-N 0 3 323.349 1.005 20 5 DDBDHN Cc1c(CC(=O)NC[C@@](C)(O)CCN(C)C)cccc1[N+](=O)[O-] ZINC000420025033 420097139 /nfs/dbraw/zinc/09/71/39/420097139.db2.gz ZKTHDNNPOYORHO-INIZCTEOSA-N 0 3 323.393 1.265 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCCNC2)c1 ZINC000420404747 420265383 /nfs/dbraw/zinc/26/53/83/420265383.db2.gz NRVRDDQNHBXEPI-NSHDSACASA-N 0 3 313.379 1.242 20 5 DDBDHN CN1CC[C@](O)(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436338279 420321008 /nfs/dbraw/zinc/32/10/08/420321008.db2.gz BRHJFFAQOSAFRF-NSHDSACASA-N 0 3 320.271 1.487 20 5 DDBDHN NC(=O)[C@@H]1CCCC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444680610 230119757 /nfs/dbraw/zinc/11/97/57/230119757.db2.gz QIJOHFJRHDQHAL-MNOVXSKESA-N 0 3 317.349 1.605 20 5 DDBDHN Cc1c(CC(=O)N(C)[C@H]2CN3CCC2CC3)cccc1[N+](=O)[O-] ZINC000438987312 420474421 /nfs/dbraw/zinc/47/44/21/420474421.db2.gz TUPXLAAHCVMPJI-INIZCTEOSA-N 0 3 317.389 1.998 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000457080879 420606292 /nfs/dbraw/zinc/60/62/92/420606292.db2.gz CMKPQCUFLJPDFI-LLVKDONJSA-N 0 3 323.397 1.996 20 5 DDBDHN C[C@@H](C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000452970832 420692089 /nfs/dbraw/zinc/69/20/89/420692089.db2.gz GDMRKSNKBOJLPB-JRPNMDOOSA-N 0 3 321.352 2.000 20 5 DDBDHN CN(C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448565720 420863507 /nfs/dbraw/zinc/86/35/07/420863507.db2.gz WTMKFSKLSQTWRT-UHFFFAOYSA-N 0 3 303.322 1.072 20 5 DDBDHN COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCN1CCCO ZINC000450598114 421215597 /nfs/dbraw/zinc/21/55/97/421215597.db2.gz PVHAEUPDKPHDDR-HNNXBMFYSA-N 0 3 323.393 2.000 20 5 DDBDHN CCCN(CCN(C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000525129669 421279849 /nfs/dbraw/zinc/27/98/49/421279849.db2.gz KAZCGLWSXIXSGP-UHFFFAOYSA-N 0 3 323.349 1.737 20 5 DDBDHN COc1ccc(CC(=O)NCCN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000525291753 421284402 /nfs/dbraw/zinc/28/44/02/421284402.db2.gz PWAZROBVYGLOJA-GFCCVEGCSA-N 0 3 321.377 1.604 20 5 DDBDHN CC(COC(=O)C1(C)CN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000497314079 421406136 /nfs/dbraw/zinc/40/61/36/421406136.db2.gz MKPDGPVVPDOTAN-SECBINFHSA-N 0 3 302.327 1.452 20 5 DDBDHN CN1CCN(C)[C@@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563418849 421506093 /nfs/dbraw/zinc/50/60/93/421506093.db2.gz QINQVXDWMRYTBR-WFASDCNBSA-N 0 3 304.394 1.418 20 5 DDBDHN CCN1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000531634751 421641365 /nfs/dbraw/zinc/64/13/65/421641365.db2.gz JOTPWECCMASVLG-RYUDHWBXSA-N 0 3 306.366 1.935 20 5 DDBDHN COCC[C@]1(NCCOc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000573288803 421942931 /nfs/dbraw/zinc/94/29/31/421942931.db2.gz CMOHXXLKNYSBFC-HNNXBMFYSA-N 0 3 310.350 1.759 20 5 DDBDHN Nc1nccc(C(=O)N2CCC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000594283000 422344278 /nfs/dbraw/zinc/34/42/78/422344278.db2.gz XYPPILMCRRZHSB-LLVKDONJSA-N 0 3 319.365 1.272 20 5 DDBDHN Cc1cc(OCC(=O)NCCN2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000578480307 422578251 /nfs/dbraw/zinc/57/82/51/422578251.db2.gz QGTYCKAIMVJGTO-GFCCVEGCSA-N 0 3 321.377 1.740 20 5 DDBDHN CCC[C@](C)(N)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000319969532 271025380 /nfs/dbraw/zinc/02/53/80/271025380.db2.gz CEMPHBQTBNGNHF-HNNXBMFYSA-N 0 3 321.381 1.156 20 5 DDBDHN CCCN(CCN(C)C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000343056360 271630605 /nfs/dbraw/zinc/63/06/05/271630605.db2.gz XARLKJZJMBWYOU-UHFFFAOYSA-N 0 3 309.366 1.774 20 5 DDBDHN COC(=O)CC1(NCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000152538786 277054551 /nfs/dbraw/zinc/05/45/51/277054551.db2.gz HTHJCYTXUYHBLA-UHFFFAOYSA-N 0 3 308.334 1.797 20 5 DDBDHN CCN1CCN(CCC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000101660549 281046218 /nfs/dbraw/zinc/04/62/18/281046218.db2.gz VIDWCSGTIHSERX-UHFFFAOYSA-N 0 3 320.393 1.239 20 5 DDBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000126038161 281224251 /nfs/dbraw/zinc/22/42/51/281224251.db2.gz KGURSSPIIOIYIP-HOCLYGCPSA-N 0 3 324.377 1.835 20 5 DDBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000170808197 298221915 /nfs/dbraw/zinc/22/19/15/298221915.db2.gz ZWQSICPJOMLKJI-CQSZACIVSA-N 0 3 321.377 1.744 20 5 DDBDHN CCN(C)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000354021243 298341836 /nfs/dbraw/zinc/34/18/36/298341836.db2.gz DDJMAAREGNVPKT-UHFFFAOYSA-N 0 3 317.349 1.462 20 5 DDBDHN CCOC(=O)c1cc(C(=O)NCCN(C)CC)cc([N+](=O)[O-])c1 ZINC000354027213 298343069 /nfs/dbraw/zinc/34/30/69/298343069.db2.gz FVWINGBZIXPZPM-UHFFFAOYSA-N 0 3 323.349 1.453 20 5 DDBDHN CO[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000363651023 300292995 /nfs/dbraw/zinc/29/29/95/300292995.db2.gz JNNXLBTWHYODGB-KBPBESRZSA-N 0 3 324.377 1.835 20 5 DDBDHN CC(C)N(C)CC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368413023 301022389 /nfs/dbraw/zinc/02/23/89/301022389.db2.gz PDMRLNSMIRJNMD-LBPRGKRZSA-N 0 3 309.370 1.295 20 5 DDBDHN CCCN(CCN(C)C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000355340192 306795940 /nfs/dbraw/zinc/79/59/40/306795940.db2.gz NZPKCBUGCIUYPK-UHFFFAOYSA-N 0 3 308.382 1.807 20 5 DDBDHN CN(C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])nn2C)cc1 ZINC000356151732 306839162 /nfs/dbraw/zinc/83/91/62/306839162.db2.gz KGHNCTFDGXISJU-UHFFFAOYSA-N 0 3 303.322 1.642 20 5 DDBDHN CN(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cn2)CCSC1 ZINC000532143833 303277252 /nfs/dbraw/zinc/27/72/52/303277252.db2.gz CNZIXYXRLFXPLS-CYBMUJFWSA-N 0 3 310.379 1.157 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)NC[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000533230222 303314226 /nfs/dbraw/zinc/31/42/26/303314226.db2.gz YNSCCJALPQTSGY-SNVBAGLBSA-N 0 3 309.370 1.513 20 5 DDBDHN CN(CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000536010203 303353820 /nfs/dbraw/zinc/35/38/20/303353820.db2.gz JMJSGJMGSUCERJ-UHFFFAOYSA-N 0 3 318.377 1.757 20 5 DDBDHN CN1CC=C(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000537272508 303372856 /nfs/dbraw/zinc/37/28/56/303372856.db2.gz XIUHHEUPGOOVHQ-UHFFFAOYSA-N 0 3 304.350 1.656 20 5 DDBDHN CCOC(CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)OCC ZINC000369489095 307121497 /nfs/dbraw/zinc/12/14/97/307121497.db2.gz CGSAKPOCUCMQLI-UHFFFAOYSA-N 0 3 312.370 1.827 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC([C@@H]3CCOC3)C2)c1 ZINC000373641292 307193725 /nfs/dbraw/zinc/19/37/25/307193725.db2.gz SAPXWOUKISEMND-IUODEOHRSA-N 0 3 322.361 1.303 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC([C@@H]3CCCOC3)CC2)n1 ZINC000374741189 307213251 /nfs/dbraw/zinc/21/32/51/307213251.db2.gz YFAADHNODVDMEK-CQSZACIVSA-N 0 3 308.382 1.930 20 5 DDBDHN Cn1ccc(N2CC[C@@H](NCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000375792475 307231511 /nfs/dbraw/zinc/23/15/11/307231511.db2.gz MWGJQFCDHXHOBB-CYBMUJFWSA-N 0 3 301.350 1.697 20 5 DDBDHN COC(=O)[C@]12CCC[C@@H]1CN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000376268386 307242054 /nfs/dbraw/zinc/24/20/54/307242054.db2.gz VKHIKEGCHHZLGN-RISCZKNCSA-N 0 3 308.338 1.066 20 5 DDBDHN C[C@@H]1CC[C@H](O)CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000421021458 307300456 /nfs/dbraw/zinc/30/04/56/307300456.db2.gz OBYSYWSVYKWLTO-AGIUHOORSA-N 0 3 310.350 1.180 20 5 DDBDHN NC[C@@H]1c2ccccc2CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000516570821 307417906 /nfs/dbraw/zinc/41/79/06/307417906.db2.gz GYNGZDMNNRHVAI-CQSZACIVSA-N 0 3 301.350 1.349 20 5 DDBDHN CN(C)CCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000569708765 308147746 /nfs/dbraw/zinc/14/77/46/308147746.db2.gz SGUSAOXALJRVLA-UHFFFAOYSA-N 0 3 312.345 1.544 20 5 DDBDHN Cc1cncc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000573712955 308250261 /nfs/dbraw/zinc/25/02/61/308250261.db2.gz NOUKOPNHDHEWTL-AWEZNQCLSA-N 0 3 317.345 1.828 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(CC3(CO)COC3)C2)cc1 ZINC000574129196 308261843 /nfs/dbraw/zinc/26/18/43/308261843.db2.gz DCTQIXSBBOXCFO-AWEZNQCLSA-N 0 3 306.362 1.783 20 5 DDBDHN CNc1ccc(C(=O)N[C@@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000580833136 308634756 /nfs/dbraw/zinc/63/47/56/308634756.db2.gz WTMGMRPZDILFDX-LLVKDONJSA-N 0 3 314.292 1.364 20 5 DDBDHN Cc1c(NC(=O)CCN2CC[C@@H](C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000305766036 533899393 /nfs/dbraw/zinc/89/93/93/533899393.db2.gz RFDFFFVWCCRSRD-ABAIWWIYSA-N 0 3 321.377 1.935 20 5 DDBDHN NC(=O)c1ccc(CN2CC[C@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452132181 534481101 /nfs/dbraw/zinc/48/11/01/534481101.db2.gz QKFOHUREBNHZBC-NSHDSACASA-N 0 3 307.350 1.288 20 5 DDBDHN CCN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000444169179 528514200 /nfs/dbraw/zinc/51/42/00/528514200.db2.gz PADYPAHGUXEHEM-UHFFFAOYSA-N 0 3 315.395 1.603 20 5 DDBDHN CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC000736536113 598298582 /nfs/dbraw/zinc/29/85/82/598298582.db2.gz CPKBYPJHYOFBAT-UHFFFAOYSA-N 0 3 317.353 1.671 20 5 DDBDHN CC[N@@H+](CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC000736536113 598298584 /nfs/dbraw/zinc/29/85/84/598298584.db2.gz CPKBYPJHYOFBAT-UHFFFAOYSA-N 0 3 317.353 1.671 20 5 DDBDHN CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC000736536113 598298585 /nfs/dbraw/zinc/29/85/85/598298585.db2.gz CPKBYPJHYOFBAT-UHFFFAOYSA-N 0 3 317.353 1.671 20 5 DDBDHN CC[N@@H+](CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC000736536113 598298587 /nfs/dbraw/zinc/29/85/87/598298587.db2.gz CPKBYPJHYOFBAT-UHFFFAOYSA-N 0 3 317.353 1.671 20 5 DDBDHN CC(C)(C)[NH2+]CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735623769 598506477 /nfs/dbraw/zinc/50/64/77/598506477.db2.gz QILFPQWWIXUVSV-UHFFFAOYSA-N 0 3 305.342 1.575 20 5 DDBDHN CC(C)(C)[NH2+]CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735623769 598506479 /nfs/dbraw/zinc/50/64/79/598506479.db2.gz QILFPQWWIXUVSV-UHFFFAOYSA-N 0 3 305.342 1.575 20 5 DDBDHN CN1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000762817734 700908509 /nfs/dbraw/zinc/90/85/09/700908509.db2.gz KAPANDQTRBKPAG-ZDUSSCGKSA-N 0 3 313.741 1.045 20 5 DDBDHN C[C@H](CCS(C)(=O)=O)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815588845 701900441 /nfs/dbraw/zinc/90/04/41/701900441.db2.gz AKRYVKPSUFBPOM-NXEZZACHSA-N 0 3 315.395 1.651 20 5 DDBDHN CC(COC(=O)c1ccc(F)c(S(C)(=O)=O)c1)[N+](=O)[O-] ZINC000813107539 702293894 /nfs/dbraw/zinc/29/38/94/702293894.db2.gz SKLXLIVJXFLFFM-SSDOTTSWSA-N 0 3 305.283 1.051 20 5 DDBDHN Cc1sc2ncc(C(=O)OCC(C)[N+](=O)[O-])c(=O)n2c1C ZINC000813111560 702297032 /nfs/dbraw/zinc/29/70/32/702297032.db2.gz UWBFDSDFZWQBLZ-ZCFIWIBFSA-N 0 3 311.319 1.195 20 5 DDBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])nc1Br ZINC000813114618 702298886 /nfs/dbraw/zinc/29/88/86/702298886.db2.gz UNLPLKNXMZXVEP-LURJTMIESA-N 0 3 319.111 1.675 20 5 DDBDHN CC(COC(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1)[N+](=O)[O-] ZINC000813114462 702299337 /nfs/dbraw/zinc/29/93/37/702299337.db2.gz BVATWLNPRIFQBX-ZFQMDJOTSA-N 0 3 312.366 1.622 20 5 DDBDHN CC([C@@H](OC(=O)CCc1nnc[nH]1)c1ccccc1F)[N+](=O)[O-] ZINC000845873859 703211405 /nfs/dbraw/zinc/21/14/05/703211405.db2.gz DZPWRQWGLAJCNS-LKFCYVNXSA-N 0 3 322.296 1.826 20 5 DDBDHN CC([C@@H](OC(=O)CCn1ccnn1)c1ccccc1F)[N+](=O)[O-] ZINC000845883740 703212292 /nfs/dbraw/zinc/21/22/92/703212292.db2.gz VLXUZQYNVWZUPT-IINYFYTJSA-N 0 3 322.296 1.757 20 5 DDBDHN CC(COC(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F)[N+](=O)[O-] ZINC000851036360 703774964 /nfs/dbraw/zinc/77/49/64/703774964.db2.gz IFGPQGSWOCIKNX-IWSPIJDZSA-N 0 3 315.244 1.179 20 5 DDBDHN N[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1F ZINC000851649149 703822432 /nfs/dbraw/zinc/82/24/32/703822432.db2.gz UAZWOEUHFFDSLC-NXEZZACHSA-N 0 3 301.705 1.760 20 5 DDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000855165889 704471860 /nfs/dbraw/zinc/47/18/60/704471860.db2.gz ZTRFKZQOFIPPEU-VIFPVBQESA-N 0 3 324.356 1.919 20 5 DDBDHN CCC1(N2CCOCC2)CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000863327769 705903114 /nfs/dbraw/zinc/90/31/14/705903114.db2.gz VIEFDSQJFSBRTI-UHFFFAOYSA-N 0 3 323.397 1.326 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](c3nccs3)C2)c1 ZINC000880318446 706939314 /nfs/dbraw/zinc/93/93/14/706939314.db2.gz ZEQFUSSTOJCZJY-PWSUYJOCSA-N 0 3 323.378 1.098 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H]2CCCn3nccc32)c1 ZINC000872243130 707345744 /nfs/dbraw/zinc/34/57/44/707345744.db2.gz SRULVIGMQFMBDL-ZFWWWQNUSA-N 0 3 302.334 1.949 20 5 DDBDHN COC(=O)c1cnc(N2CCC23CCN(C)CC3)c([N+](=O)[O-])c1 ZINC000897134148 708236895 /nfs/dbraw/zinc/23/68/95/708236895.db2.gz YQCGTVFKOPXXAL-UHFFFAOYSA-N 0 3 320.349 1.451 20 5 DDBDHN COc1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000897219486 708257529 /nfs/dbraw/zinc/25/75/29/708257529.db2.gz LDJGUJPJMUMFSS-STQMWFEESA-N 0 3 321.377 1.639 20 5 DDBDHN COc1ccc(CN[C@H](CO)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000886226913 708719444 /nfs/dbraw/zinc/71/94/44/708719444.db2.gz TWOYEDMONJSYHR-QWHCGFSZSA-N 0 3 310.350 1.623 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnn1CCN(C)C ZINC000899910588 709234983 /nfs/dbraw/zinc/23/49/83/709234983.db2.gz IWYNDSBAJGGGIO-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN COc1c(O)ccc(CN2C[C@H](C)N(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000893668094 710769754 /nfs/dbraw/zinc/76/97/54/710769754.db2.gz CXBDJEYSERJQBN-WDEREUQCSA-N 0 3 309.366 1.833 20 5 DDBDHN Cc1ccc([C@@H](C)NC[C@@]2(CO)COCCN2C)cc1[N+](=O)[O-] ZINC000903285921 711088970 /nfs/dbraw/zinc/08/89/70/711088970.db2.gz WTZZCEKOIZQUEN-CZUORRHYSA-N 0 3 323.393 1.247 20 5 DDBDHN C[C@@H]1[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCN1C ZINC000895737534 711590812 /nfs/dbraw/zinc/59/08/12/711590812.db2.gz AZFLAUXCEGRXHF-MFKMUULPSA-N 0 3 318.377 1.992 20 5 DDBDHN C[C@H]1[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCN1C ZINC000895737532 711590919 /nfs/dbraw/zinc/59/09/19/711590919.db2.gz AZFLAUXCEGRXHF-GWCFXTLKSA-N 0 3 318.377 1.992 20 5 DDBDHN C[C@H]1[C@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCN1C ZINC000895739553 711591817 /nfs/dbraw/zinc/59/18/17/711591817.db2.gz GWAMZUUMLUEGIS-DTWKUNHWSA-N 0 3 306.322 1.430 20 5 DDBDHN O=[N+]([O-])CCNC[C@@H](CO)Cc1cccc(Br)c1 ZINC000905368193 712018195 /nfs/dbraw/zinc/01/81/95/712018195.db2.gz YSOYQBJZIIZJOW-NSHDSACASA-N 0 3 317.183 1.466 20 5 DDBDHN CC[C@@H](CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000916570893 713458283 /nfs/dbraw/zinc/45/82/83/713458283.db2.gz ZXHZYEJDCMXIAO-QMMMGPOBSA-N 0 3 301.730 1.547 20 5 DDBDHN CN1CCC2CCC(C1)N2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000923281343 714296442 /nfs/dbraw/zinc/29/64/42/714296442.db2.gz PEZGXCBWOPZBDO-DZGCQCFKSA-N 0 3 303.362 1.832 20 5 DDBDHN CCC1(CC)CNC(=O)[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000933291454 714556008 /nfs/dbraw/zinc/55/60/08/714556008.db2.gz XBBOSQRZNLTABP-CQSZACIVSA-N 0 3 321.377 1.868 20 5 DDBDHN CN1CCN(C)CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000933995142 714717609 /nfs/dbraw/zinc/71/76/09/714717609.db2.gz AEDUVOXQWRMANH-UHFFFAOYSA-N 0 3 310.373 1.413 20 5 DDBDHN CC1(C)CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCN1 ZINC000934055514 714733065 /nfs/dbraw/zinc/73/30/65/714733065.db2.gz LETFYCHTNJJSHT-KGLIPLIRSA-N 0 3 303.362 1.909 20 5 DDBDHN O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934258284 714777430 /nfs/dbraw/zinc/77/74/30/714777430.db2.gz CMKGNSJLIGXJAX-HZPDHXFCSA-N 0 3 323.368 1.765 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000925345680 714822552 /nfs/dbraw/zinc/82/25/52/714822552.db2.gz XRTKDYAZUDWVDN-WFASDCNBSA-N 0 3 320.393 1.871 20 5 DDBDHN CC(C)N(C)CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cn1 ZINC001107234056 749664022 /nfs/dbraw/zinc/66/40/22/749664022.db2.gz WMEJFWXVVRDHJO-PLNGDYQASA-N 0 3 321.381 1.414 20 5 DDBDHN Cc1cc(C)nc(N2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169029652 762186348 /nfs/dbraw/zinc/18/63/48/762186348.db2.gz UXIWZTVSETUUEQ-GJZGRUSLSA-N 0 3 319.409 1.661 20 5 DDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CC(N3CCC(F)(F)CC3)C2)C1 ZINC001169038037 762192792 /nfs/dbraw/zinc/19/27/92/762192792.db2.gz VGKKMPAOXQLRHC-NWDGAFQWSA-N 0 3 303.353 1.847 20 5 DDBDHN CCOC(=O)c1cccc([N+](=O)[O-])c1-n1ccc([C@@H](C)N)n1 ZINC001169232718 762293591 /nfs/dbraw/zinc/29/35/91/762293591.db2.gz IZVGVSDWBBIUFQ-SECBINFHSA-N 0 3 304.306 1.977 20 5 DDBDHN CCN(CC)CC(=O)N[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001097184826 756958082 /nfs/dbraw/zinc/95/80/82/756958082.db2.gz MANBGJZQNLAMPE-TXEJJXNPSA-N 0 3 321.381 1.391 20 5 DDBDHN Cc1cccc(C)c1CN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042705064 764373289 /nfs/dbraw/zinc/37/32/89/764373289.db2.gz JLUZIYJPWXKQJV-GDBMZVCRSA-N 0 3 317.389 1.611 20 5 DDBDHN CC(C)(O)CC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001157273372 764752032 /nfs/dbraw/zinc/75/20/32/764752032.db2.gz BUGWIJCSMSXHAB-UHFFFAOYSA-N 0 3 309.366 1.352 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H]2CNCCO2)c1 ZINC001170575830 768240613 /nfs/dbraw/zinc/24/06/13/768240613.db2.gz SBGFBYORSCKABM-TVQRCGJNSA-N 0 3 309.322 1.170 20 5 DDBDHN CN(CC(=O)NCCNc1ccc([N+](=O)[O-])cn1)CC(C)(C)C ZINC001094141380 775525594 /nfs/dbraw/zinc/52/55/94/775525594.db2.gz STVPTCMLJOKBPH-UHFFFAOYSA-N 0 3 323.397 1.496 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)nc1 ZINC001212697261 776960877 /nfs/dbraw/zinc/96/08/77/776960877.db2.gz NHHCOODAVIFFRU-UHFFFAOYSA-N 0 3 324.300 1.748 20 5 DDBDHN CCCN(C)CC(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001110193774 778067572 /nfs/dbraw/zinc/06/75/72/778067572.db2.gz XITSGDVAXPSAMF-UHFFFAOYSA-N 0 3 321.381 1.392 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC001155017003 861650087 /nfs/dbraw/zinc/65/00/87/861650087.db2.gz WMTRUDYAAQFFJK-UHFFFAOYSA-N 0 3 303.322 1.228 20 5 DDBDHN NCc1cc(-c2ccncc2)nn1-c1cc(N)c([N+](=O)[O-])cn1 ZINC001160338904 865791873 /nfs/dbraw/zinc/79/18/73/865791873.db2.gz MZBRAECBWBKPCL-UHFFFAOYSA-N 0 3 311.305 1.278 20 5 DDBDHN COc1ccc(NCCCN2CCN(C)CC2)nc1[N+](=O)[O-] ZINC001161700495 866902154 /nfs/dbraw/zinc/90/21/54/866902154.db2.gz FZKSKEFHXFKSBV-UHFFFAOYSA-N 0 3 309.370 1.048 20 5 DDBDHN COc1nc(NC[C@@H]2Cc3ccccc3CN2)ncc1[N+](=O)[O-] ZINC001163269982 868288541 /nfs/dbraw/zinc/28/85/41/868288541.db2.gz IUEWUVMYJXEQSU-LBPRGKRZSA-N 0 3 315.333 1.520 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC001335986230 868661048 /nfs/dbraw/zinc/66/10/48/868661048.db2.gz LFOKAYKKLBILFL-MVWJERBFSA-N 0 3 320.267 1.875 20 5 DDBDHN CN(c1ncnc2cc3ccccc3cc21)S(=O)(=O)CCN ZINC001164292577 869093212 /nfs/dbraw/zinc/09/32/12/869093212.db2.gz RMAUGVBWONYATD-UHFFFAOYSA-N 0 3 316.386 1.508 20 5 DDBDHN CN(c1cc2cccnc2c2ncccc12)S(=O)(=O)CCN ZINC001164297372 869097867 /nfs/dbraw/zinc/09/78/67/869097867.db2.gz UNEQGZAEFLBGPK-UHFFFAOYSA-N 0 3 316.386 1.508 20 5 DDBDHN Cc1cc(Cl)c(N(C)S(=O)(=O)CCN)c([N+](=O)[O-])c1 ZINC001164300162 869100321 /nfs/dbraw/zinc/10/03/21/869100321.db2.gz JKCPDHASFHTXBN-UHFFFAOYSA-N 0 3 307.759 1.281 20 5 DDBDHN Cc1n[nH]c(=O)c(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC001348957878 874895018 /nfs/dbraw/zinc/89/50/18/874895018.db2.gz LVFXKOQAPVKAIT-AWEZNQCLSA-N 0 3 318.333 1.530 20 5 DDBDHN O=[N+]([O-])c1cc2c(ncnc2N2CC(N[C@H]3CCOC3)C2)s1 ZINC001472888321 878325674 /nfs/dbraw/zinc/32/56/74/878325674.db2.gz HITQVWSGJWVXGT-QMMMGPOBSA-N 0 3 321.362 1.167 20 5 DDBDHN CC[C@@H](C)N1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC)CC1 ZINC001356351608 879007951 /nfs/dbraw/zinc/00/79/51/879007951.db2.gz NBPRDZSMBHYZFT-NEPJUHHUSA-N 0 3 310.402 1.556 20 5 DDBDHN CCOC(=O)c1ccc(CO[C@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC001223963839 881164753 /nfs/dbraw/zinc/16/47/53/881164753.db2.gz RFBXIBAZEWJWCG-ZDUSSCGKSA-N 0 3 308.334 1.992 20 5 DDBDHN OC[C@@H]1CN(Cc2ccc3ccc4cccnc4c3n2)CC[C@H]1O ZINC001232218313 886166382 /nfs/dbraw/zinc/16/63/82/886166382.db2.gz FUPHJKIPJQJFDN-DOTOQJQBSA-N 0 3 323.396 1.958 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCOCC2)C1 ZINC001254562873 896500635 /nfs/dbraw/zinc/50/06/35/896500635.db2.gz QKPRWMRYZQAKBV-GDBMZVCRSA-N 0 3 319.405 1.932 20 5 DDBDHN CC(C)N(CCN(C)Cc1ccccn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001278907645 897256504 /nfs/dbraw/zinc/25/65/04/897256504.db2.gz HFKVOCYURHQOSQ-HUUCEWRRSA-N 0 3 320.393 1.416 20 5 DDBDHN CO[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451630456 231144266 /nfs/dbraw/zinc/14/42/66/231144266.db2.gz JMLDDCCKFGVRPP-ZIAGYGMSSA-N 0 3 307.350 1.999 20 5 DDBDHN C[C@H](N[C@@H]1COCC1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451807299 231199024 /nfs/dbraw/zinc/19/90/24/231199024.db2.gz GPHIZSWFNGDIKB-GXFFZTMASA-N 0 3 307.350 1.936 20 5 DDBDHN CC[C@]1(O)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000495250808 529442477 /nfs/dbraw/zinc/44/24/77/529442477.db2.gz JKFUQLFBXJVLEQ-ZFWWWQNUSA-N 0 3 310.350 1.181 20 5 DDBDHN O=C(NC[C@@H]1CCCN1CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000452347586 231356069 /nfs/dbraw/zinc/35/60/69/231356069.db2.gz IYHRNZVZMMJIJJ-AWEZNQCLSA-N 0 3 307.350 1.171 20 5 DDBDHN CN(CCCN(C)c1ncc([N+](=O)[O-])cn1)Cc1ccco1 ZINC000286607748 219080754 /nfs/dbraw/zinc/08/07/54/219080754.db2.gz SYPNLVOITRPWQY-UHFFFAOYSA-N 0 3 305.338 1.936 20 5 DDBDHN CN1CCC[C@]2(CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)C2)C1 ZINC000292819013 530065617 /nfs/dbraw/zinc/06/56/17/530065617.db2.gz OTCJIYDFULUHKX-HNNXBMFYSA-N 0 3 319.365 1.011 20 5 DDBDHN C[C@@H](CN1CCOCC1)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000279703197 215075151 /nfs/dbraw/zinc/07/51/51/215075151.db2.gz JHOHREBVFUXREU-AWEZNQCLSA-N 0 3 323.393 1.626 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000272616697 210016129 /nfs/dbraw/zinc/01/61/29/210016129.db2.gz LHZIWVGJOXKKOY-ZWNOBZJWSA-N 0 3 304.350 1.343 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272606285 210004377 /nfs/dbraw/zinc/00/43/77/210004377.db2.gz JRFRMVBCCCPRSP-HIFRSBDPSA-N 0 3 303.362 1.690 20 5 DDBDHN C[C@@]1(O)CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000280018160 215316068 /nfs/dbraw/zinc/31/60/68/215316068.db2.gz KGJLCEAQBQMINA-CZUORRHYSA-N 0 3 324.377 1.571 20 5 DDBDHN CN(C)Cc1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1F ZINC000159628888 186131941 /nfs/dbraw/zinc/13/19/41/186131941.db2.gz XUUYQKIJYSDYOX-UHFFFAOYSA-N 0 3 321.312 1.449 20 5 DDBDHN O=C(NCCN1CCCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000047140319 352483132 /nfs/dbraw/zinc/48/31/32/352483132.db2.gz FKAFZSMKVNOEPQ-UHFFFAOYSA-N 0 3 317.349 1.687 20 5 DDBDHN O=C(CNc1ccccc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000065859104 352966319 /nfs/dbraw/zinc/96/63/19/352966319.db2.gz UOVMSAZHWBEYNL-UHFFFAOYSA-N 0 3 318.377 1.750 20 5 DDBDHN C[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000068219491 353096861 /nfs/dbraw/zinc/09/68/61/353096861.db2.gz VYWDVVUVJBBHSZ-LLVKDONJSA-N 0 3 307.350 1.573 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCc3ccccc3C2)c1 ZINC000173712840 198243616 /nfs/dbraw/zinc/24/36/16/198243616.db2.gz YNZWNYLWNZFDAY-MRXNPFEDSA-N 0 3 316.361 1.601 20 5 DDBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCN2CCC1CC2 ZINC000492004791 234357624 /nfs/dbraw/zinc/35/76/24/234357624.db2.gz CFMMAGLPWDYEBQ-UTCJRWHESA-N 0 3 301.346 1.915 20 5 DDBDHN CN(CCOc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174654226 198365314 /nfs/dbraw/zinc/36/53/14/198365314.db2.gz CRGOYXDNJYOEHV-AWEZNQCLSA-N 0 3 320.349 1.163 20 5 DDBDHN Cc1cnc(NCCCCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000078630208 353526182 /nfs/dbraw/zinc/52/61/82/353526182.db2.gz GJFXSKJOCZHPFC-UHFFFAOYSA-N 0 3 307.398 1.738 20 5 DDBDHN O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C2CC2)C1 ZINC000144479486 354154704 /nfs/dbraw/zinc/15/47/04/354154704.db2.gz UMISSTUGGPNSCQ-NSHDSACASA-N 0 3 305.334 1.327 20 5 DDBDHN Nc1cc(N2CCN(C3CCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587977888 354888898 /nfs/dbraw/zinc/88/88/98/354888898.db2.gz RZWRABAAWKGDOV-UHFFFAOYSA-N 0 3 306.366 1.344 20 5 DDBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC1COCCOC1 ZINC000589949560 355034843 /nfs/dbraw/zinc/03/48/43/355034843.db2.gz CCCDJWATKRGIIG-NSHDSACASA-N 0 3 323.349 1.317 20 5 DDBDHN COC[C@]1(CO)CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590763174 355171058 /nfs/dbraw/zinc/17/10/58/355171058.db2.gz PFROAHRSGSYUOW-MRXNPFEDSA-N 0 3 324.377 1.695 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CN(CCN(C)C)C(=O)[C@H]2C)n1 ZINC000591984314 355452910 /nfs/dbraw/zinc/45/29/10/355452910.db2.gz DMZGNKXAQIRHOE-GFCCVEGCSA-N 0 3 321.381 1.163 20 5 DDBDHN COC[C@H]1C[C@@H](O)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593067535 355785315 /nfs/dbraw/zinc/78/53/15/355785315.db2.gz VLCKHGDNBKUVJI-ZIAGYGMSSA-N 0 3 323.349 1.005 20 5 DDBDHN CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CN2CCC1CC2 ZINC000593461969 355892363 /nfs/dbraw/zinc/89/23/63/355892363.db2.gz WRDSXYRFASZFSX-OAHLLOKOSA-N 0 3 321.352 1.829 20 5 DDBDHN Cc1nn(C)c(C)c1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000005458826 181246308 /nfs/dbraw/zinc/24/63/08/181246308.db2.gz OGCLGOFAGHDHAZ-UHFFFAOYSA-N 0 3 304.306 1.963 20 5 DDBDHN NC(=O)c1ccnc(N[C@@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594596962 356260196 /nfs/dbraw/zinc/26/01/96/356260196.db2.gz BPNWVDFWHOWSND-NEPJUHHUSA-N 0 3 319.365 1.518 20 5 DDBDHN CN(CCn1ccc([N+](=O)[O-])n1)[C@H](CO)Cc1ccccc1 ZINC000595599571 356570388 /nfs/dbraw/zinc/57/03/88/356570388.db2.gz YRDQPWAHTHCERD-AWEZNQCLSA-N 0 3 304.350 1.327 20 5 DDBDHN O=C(CN[C@H](CO)C1CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595616884 356579454 /nfs/dbraw/zinc/57/94/54/356579454.db2.gz OSHPFISVVFWSJS-CQSZACIVSA-N 0 3 319.361 1.235 20 5 DDBDHN C[C@H](CO)[C@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595679070 356607530 /nfs/dbraw/zinc/60/75/30/356607530.db2.gz UTICLVPURXOESR-TZMCWYRMSA-N 0 3 309.366 1.239 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)[C@H]1O ZINC000595748319 356635215 /nfs/dbraw/zinc/63/52/15/356635215.db2.gz FNDKNAFLWDZUBV-CQJJVWNLSA-N 0 3 324.377 1.283 20 5 DDBDHN COc1ccc(OCCN2C[C@H]3COC[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000595762095 356641761 /nfs/dbraw/zinc/64/17/61/356641761.db2.gz ZXPOWZPUZRFGGD-BLLLJJGKSA-N 0 3 322.361 1.951 20 5 DDBDHN CC(C)(C)N1CC[C@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000596309345 356853465 /nfs/dbraw/zinc/85/34/65/356853465.db2.gz ZEVKPZNTHLNVTE-NSHDSACASA-N 0 3 306.366 1.978 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N(CCN(C)C)CC(=O)N(C)C)c1 ZINC000596461358 356888485 /nfs/dbraw/zinc/88/84/85/356888485.db2.gz GCPOIXXJYWCNSH-UHFFFAOYSA-N 0 3 308.382 1.359 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000598220004 357497483 /nfs/dbraw/zinc/49/74/83/357497483.db2.gz NFWKKIKPUQUAJA-NSHDSACASA-N 0 3 321.381 1.465 20 5 DDBDHN C[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000599110785 357818371 /nfs/dbraw/zinc/81/83/71/357818371.db2.gz QSIWZLRFKATMOW-IONNQARKSA-N 0 3 319.770 1.277 20 5 DDBDHN COCCNCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000179381517 199025228 /nfs/dbraw/zinc/02/52/28/199025228.db2.gz FNRZTBDHJZGYGM-UHFFFAOYSA-N 0 3 323.374 1.775 20 5 DDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCN1C1CCCCC1 ZINC000600229421 358163741 /nfs/dbraw/zinc/16/37/41/358163741.db2.gz SCSQJYGMXOXABN-ZDUSSCGKSA-N 0 3 321.381 1.315 20 5 DDBDHN Cc1cc([N+](=O)[O-])nn1C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000601960862 358754412 /nfs/dbraw/zinc/75/44/12/358754412.db2.gz WVFGYYWAYBPQCM-MRXNPFEDSA-N 0 3 316.361 1.737 20 5 DDBDHN CCN[C@@H](C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602430480 358971038 /nfs/dbraw/zinc/97/10/38/358971038.db2.gz NKLSFOXKXXIBDN-LBPRGKRZSA-N 0 3 306.366 1.241 20 5 DDBDHN COCCNCCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602481189 359007568 /nfs/dbraw/zinc/00/75/68/359007568.db2.gz ANIMZYYTFSNCKH-UHFFFAOYSA-N 0 3 321.377 1.369 20 5 DDBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCNCC1 ZINC000237540040 202276908 /nfs/dbraw/zinc/27/69/08/202276908.db2.gz WKTYUVXAHYVQAK-NSHDSACASA-N 0 3 309.391 1.897 20 5 DDBDHN CN1CCC[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000604197975 359725844 /nfs/dbraw/zinc/72/58/44/359725844.db2.gz CSELTQMFXFPEJI-SECBINFHSA-N 0 3 303.322 1.295 20 5 DDBDHN COCCN1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000609919666 360364890 /nfs/dbraw/zinc/36/48/90/360364890.db2.gz WWQNTAJVGAJIJP-CYBMUJFWSA-N 0 3 322.365 1.115 20 5 DDBDHN CCOc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000610335995 360416230 /nfs/dbraw/zinc/41/62/30/360416230.db2.gz DMASQGNVNNLOQD-CQSZACIVSA-N 0 3 320.349 1.341 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C1CCN(C)CC1 ZINC000195456333 201392118 /nfs/dbraw/zinc/39/21/18/201392118.db2.gz CNMCMNVOSUNFMQ-UHFFFAOYSA-N 0 3 309.370 1.042 20 5 DDBDHN C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N(C)C ZINC000264694967 204083058 /nfs/dbraw/zinc/08/30/58/204083058.db2.gz AWIOSWCOJININR-VIFPVBQESA-N 0 3 318.333 1.529 20 5 DDBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000351251159 284312077 /nfs/dbraw/zinc/31/20/77/284312077.db2.gz GMOQIAAVRLPBOV-GHMZBOCLSA-N 0 3 321.381 1.565 20 5 DDBDHN COC[C@H](O)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000282722450 217203238 /nfs/dbraw/zinc/20/32/38/217203238.db2.gz RUZSLOITASQDIR-LLVKDONJSA-N 0 3 306.318 1.952 20 5 DDBDHN CC(C)N(Cc1ccco1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266507268 205395936 /nfs/dbraw/zinc/39/59/36/205395936.db2.gz CEPXAMRFKBBVKY-CYBMUJFWSA-N 0 3 308.338 1.656 20 5 DDBDHN COC(=O)[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000339226007 250351177 /nfs/dbraw/zinc/35/11/77/250351177.db2.gz DLMMVQVNBYOBMI-LLVKDONJSA-N 0 3 321.333 1.418 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000341062320 251362130 /nfs/dbraw/zinc/36/21/30/251362130.db2.gz PTDMHUDCRINCOH-VXGBXAGGSA-N 0 3 323.397 1.479 20 5 DDBDHN CNCc1cccc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)c1 ZINC000269135522 207265426 /nfs/dbraw/zinc/26/54/26/207265426.db2.gz QYCKPDOKWVJUFV-UHFFFAOYSA-N 0 3 303.322 1.608 20 5 DDBDHN O=C(CCNCC(=O)N1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000567679763 304233684 /nfs/dbraw/zinc/23/36/84/304233684.db2.gz FGXXVGGGECFCFN-UHFFFAOYSA-N 0 3 320.349 1.135 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)[C@H](C)CO ZINC000295773161 533138047 /nfs/dbraw/zinc/13/80/47/533138047.db2.gz QBCNEYHXHJEQTH-NXEZZACHSA-N 0 3 311.338 1.148 20 5 DDBDHN CN(C)C1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000294867572 224275410 /nfs/dbraw/zinc/27/54/10/224275410.db2.gz DNGFCECUJQHTRT-UHFFFAOYSA-N 0 3 315.333 1.371 20 5 DDBDHN C[C@@H](NCCN1C(=O)N[C@H](C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000459399592 533393358 /nfs/dbraw/zinc/39/33/58/533393358.db2.gz VNELZJINRDDBPP-NXEZZACHSA-N 0 3 306.322 1.186 20 5 DDBDHN CN(C)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000353109821 285525743 /nfs/dbraw/zinc/52/57/43/285525743.db2.gz KBZGJQBYLUGETJ-UHFFFAOYSA-N 0 3 302.334 1.915 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000272937204 286381647 /nfs/dbraw/zinc/38/16/47/286381647.db2.gz LOBTVBQDHRFCOK-LLVKDONJSA-N 0 3 319.361 1.984 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCc3ccc(F)cc32)c1 ZINC000570082308 304394633 /nfs/dbraw/zinc/39/46/33/304394633.db2.gz ICUJXNOZFGMHOY-DZGCQCFKSA-N 0 3 320.324 1.568 20 5 DDBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000073996775 406899959 /nfs/dbraw/zinc/89/99/59/406899959.db2.gz AIALVDZDZFIRHF-GXTWGEPZSA-N 0 3 319.361 1.669 20 5 DDBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NCCN(C)C)cc1OC ZINC000052893395 407158655 /nfs/dbraw/zinc/15/86/55/407158655.db2.gz AODYKVIBBIBQFM-UHFFFAOYSA-N 0 3 311.338 1.294 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCNCC2)c1C ZINC000122841492 407312556 /nfs/dbraw/zinc/31/25/56/407312556.db2.gz VMAVLGKUHZRBNV-UHFFFAOYSA-N 0 3 313.379 1.196 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000124721029 407367928 /nfs/dbraw/zinc/36/79/28/407367928.db2.gz XNRBTZVELILIHX-ZYHUDNBSSA-N 0 3 306.366 1.853 20 5 DDBDHN CN1CCC[C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000108562523 407388555 /nfs/dbraw/zinc/38/85/55/407388555.db2.gz UQLZLLIEQYMZGI-AWEZNQCLSA-N 0 3 320.393 1.778 20 5 DDBDHN Cc1nn(C)c(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000126237109 407409286 /nfs/dbraw/zinc/40/92/86/407409286.db2.gz UMQOGJQANOALJJ-QWRGUYRKSA-N 0 3 323.397 1.487 20 5 DDBDHN CN1CCC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170639935 407460878 /nfs/dbraw/zinc/46/08/78/407460878.db2.gz VNZGNYLUFWGRDA-LLVKDONJSA-N 0 3 304.350 1.986 20 5 DDBDHN C[C@@H]1c2ccccc2CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266540028 407551951 /nfs/dbraw/zinc/55/19/51/407551951.db2.gz PRXSKKMKVQBXKL-IUODEOHRSA-N 0 3 316.361 1.772 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](N(C)C)C1 ZINC000171067824 407585107 /nfs/dbraw/zinc/58/51/07/407585107.db2.gz SCCBIVDBQNRPFS-NSHDSACASA-N 0 3 308.338 1.771 20 5 DDBDHN C[C@@H](NCCC(=O)N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178674103 407540357 /nfs/dbraw/zinc/54/03/57/407540357.db2.gz VFBHUMGLXGZOMM-CYBMUJFWSA-N 0 3 320.393 1.410 20 5 DDBDHN C[C@H](NCCCN1CCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000266820972 407646325 /nfs/dbraw/zinc/64/63/25/407646325.db2.gz ZDLAJTJCQAGOIE-SWLSCSKDSA-N 0 3 320.393 1.585 20 5 DDBDHN CN(C)C[C@@](C)(O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000152686162 407670723 /nfs/dbraw/zinc/67/07/23/407670723.db2.gz FNHBWOUICYABKV-ZDUSSCGKSA-N 0 3 315.757 1.291 20 5 DDBDHN C[C@]1(CCCO)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000272064235 407761238 /nfs/dbraw/zinc/76/12/38/407761238.db2.gz XIJWNPQMJFRSDG-OAHLLOKOSA-N 0 3 309.366 1.384 20 5 DDBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H]1CN1CCCCC1 ZINC000132198346 407774326 /nfs/dbraw/zinc/77/43/26/407774326.db2.gz OEUKJOFUIRGNJN-NSHDSACASA-N 0 3 307.354 1.408 20 5 DDBDHN CN(C)C[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000116798138 407780914 /nfs/dbraw/zinc/78/09/14/407780914.db2.gz RUSADUNWBDLOBQ-LFAOLKIESA-N 0 3 319.361 1.397 20 5 DDBDHN CCc1n[nH]c(C(=O)NC[C@H]2CCCCN2CC)c1[N+](=O)[O-] ZINC000171873521 407786932 /nfs/dbraw/zinc/78/69/32/407786932.db2.gz RLYZYNHKVCBBRR-SNVBAGLBSA-N 0 3 309.370 1.485 20 5 DDBDHN CNCc1ccccc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000237124226 407795294 /nfs/dbraw/zinc/79/52/94/407795294.db2.gz PEPCZVBJAWWPRR-UHFFFAOYSA-N 0 3 303.322 1.540 20 5 DDBDHN CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(C)C1 ZINC000153582400 407853640 /nfs/dbraw/zinc/85/36/40/407853640.db2.gz AZTAFLKBERKPEJ-CYBMUJFWSA-N 0 3 307.350 1.526 20 5 DDBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000245613600 408028400 /nfs/dbraw/zinc/02/84/00/408028400.db2.gz LZDSXWDIFKBHCT-STQMWFEESA-N 0 3 312.391 1.772 20 5 DDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1ccccc1[N+](=O)[O-] ZINC000263646377 408188547 /nfs/dbraw/zinc/18/85/47/408188547.db2.gz ASRWJJVSPZDJET-HNNXBMFYSA-N 0 3 320.393 1.949 20 5 DDBDHN CC(=O)N1CC[C@H](CN(C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000156444273 408256121 /nfs/dbraw/zinc/25/61/21/408256121.db2.gz TXDRQJJIRSCENJ-CQSZACIVSA-N 0 3 321.377 1.774 20 5 DDBDHN C[C@H](NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1cccc([N+](=O)[O-])c1 ZINC000183464895 408418858 /nfs/dbraw/zinc/41/88/58/408418858.db2.gz WKOIZPZWYRYMBU-TUKIKUTGSA-N 0 3 321.377 1.881 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H](CO)c2ccccc2)c1 ZINC000183632780 408460011 /nfs/dbraw/zinc/46/00/11/408460011.db2.gz UQTYAYSQDHIMGN-CVEARBPZSA-N 0 3 302.330 1.951 20 5 DDBDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000160153146 408460251 /nfs/dbraw/zinc/46/02/51/408460251.db2.gz ZVXNGBYUGJPYKP-JTQLQIEISA-N 0 3 313.379 1.233 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)n1 ZINC000191783808 408491359 /nfs/dbraw/zinc/49/13/59/408491359.db2.gz KHRLFCIDMYATHE-RYUDHWBXSA-N 0 3 323.397 1.661 20 5 DDBDHN Cc1cc(CN(C)C)cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000270392484 408515365 /nfs/dbraw/zinc/51/53/65/408515365.db2.gz SDBONZIYYJSRIQ-UHFFFAOYSA-N 0 3 317.349 1.800 20 5 DDBDHN CCc1ccc(C(=O)NCCN(CC)CCO)cc1[N+](=O)[O-] ZINC000183993202 408523889 /nfs/dbraw/zinc/52/38/89/408523889.db2.gz GUWXAHQDVVQVRB-UHFFFAOYSA-N 0 3 309.366 1.201 20 5 DDBDHN CN(C)[C@@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000270503126 408553635 /nfs/dbraw/zinc/55/36/35/408553635.db2.gz KISCSTKIHMODPY-CQSZACIVSA-N 0 3 306.366 1.483 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN(CC2CCOCC2)CC1 ZINC000265493798 408671856 /nfs/dbraw/zinc/67/18/56/408671856.db2.gz LFKLZOHOFYRUOO-UHFFFAOYSA-N 0 3 320.393 1.847 20 5 DDBDHN CCN1CCN(CCNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000193483871 408722420 /nfs/dbraw/zinc/72/24/20/408722420.db2.gz YJGZAXHWRHANPG-UHFFFAOYSA-N 0 3 312.395 1.024 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@H]1CCOC1 ZINC000162799418 408736520 /nfs/dbraw/zinc/73/65/20/408736520.db2.gz ZIPOCKJQFDIFHY-QWRGUYRKSA-N 0 3 323.349 1.557 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN(CCO)C2CCC2)c1 ZINC000275801260 408682963 /nfs/dbraw/zinc/68/29/63/408682963.db2.gz GFYKAQXAXLMCLJ-CQSZACIVSA-N 0 3 310.350 1.181 20 5 DDBDHN COCCN1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000178193191 408785900 /nfs/dbraw/zinc/78/59/00/408785900.db2.gz LUWSFCMYYCQSCS-NSHDSACASA-N 0 3 322.365 1.018 20 5 DDBDHN COCCN1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000178193175 408786212 /nfs/dbraw/zinc/78/62/12/408786212.db2.gz LUWSFCMYYCQSCS-LLVKDONJSA-N 0 3 322.365 1.018 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276501250 408872116 /nfs/dbraw/zinc/87/21/16/408872116.db2.gz JMWODCZBGYTLRB-OTYXRUKQSA-N 0 3 304.350 1.390 20 5 DDBDHN COC(=O)[C@]1(C)CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000282261608 409021278 /nfs/dbraw/zinc/02/12/78/409021278.db2.gz CVQMMJVAEOFLSY-DJSGYFEHSA-N 0 3 322.361 1.759 20 5 DDBDHN Cc1[nH]nc(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000293578268 409142138 /nfs/dbraw/zinc/14/21/38/409142138.db2.gz AYPICKHIBXWTIC-JTQLQIEISA-N 0 3 321.381 1.573 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000293578268 409142141 /nfs/dbraw/zinc/14/21/41/409142141.db2.gz AYPICKHIBXWTIC-JTQLQIEISA-N 0 3 321.381 1.573 20 5 DDBDHN CN(C)c1cc(F)c(C(=O)NC[C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000279273767 409183172 /nfs/dbraw/zinc/18/31/72/409183172.db2.gz WOBVUHQGAKPONT-JTQLQIEISA-N 0 3 324.356 1.481 20 5 DDBDHN CC(C)N1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290612819 409460765 /nfs/dbraw/zinc/46/07/65/409460765.db2.gz KLFUJRXXLWXYOK-UHFFFAOYSA-N 0 3 307.354 1.009 20 5 DDBDHN COc1ccc(CNC2CCC(C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000314702713 164016260 /nfs/dbraw/zinc/01/62/60/164016260.db2.gz HARBFMDIQIGVPY-UHFFFAOYSA-N 0 3 307.350 1.737 20 5 DDBDHN CN1CCN(CCCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000296220845 409467949 /nfs/dbraw/zinc/46/79/49/409467949.db2.gz DEQUUASWYXFJAM-UHFFFAOYSA-N 0 3 318.381 1.521 20 5 DDBDHN O=C1C(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1C1CC1 ZINC000357056844 164138146 /nfs/dbraw/zinc/13/81/46/164138146.db2.gz YBZHJUYKERVYPG-LBPRGKRZSA-N 0 3 310.331 1.132 20 5 DDBDHN CC[C@H]1CCCCN1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290674998 409484296 /nfs/dbraw/zinc/48/42/96/409484296.db2.gz RPLPIDOWTDAVQR-NSHDSACASA-N 0 3 321.381 1.765 20 5 DDBDHN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCN2CCC1CC2 ZINC000408278642 164283740 /nfs/dbraw/zinc/28/37/40/164283740.db2.gz XKMCRDCWVCNFSG-UHFFFAOYSA-N 0 3 314.345 1.996 20 5 DDBDHN COc1cccc(C(=O)N2CC[C@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000346325883 409917951 /nfs/dbraw/zinc/91/79/51/409917951.db2.gz RRRDAOYGYDFOES-INIZCTEOSA-N 0 3 319.361 1.771 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342922040 410002333 /nfs/dbraw/zinc/00/23/33/410002333.db2.gz UAOJLNKCOJYTTK-JTQLQIEISA-N 0 3 302.334 1.900 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)N1C ZINC000339618879 410333736 /nfs/dbraw/zinc/33/37/36/410333736.db2.gz GNSGIIAPTLFDFG-NFAWXSAZSA-N 0 3 323.393 1.359 20 5 DDBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC(O)C1 ZINC000355375689 410480647 /nfs/dbraw/zinc/48/06/47/410480647.db2.gz VIUKMDVBBKJJLD-UHFFFAOYSA-N 0 3 316.361 1.950 20 5 DDBDHN COCCN1CC[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347469558 410568078 /nfs/dbraw/zinc/56/80/78/410568078.db2.gz ZADUZMMJPMHGDP-NSHDSACASA-N 0 3 317.349 1.671 20 5 DDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(C2CC2)C1 ZINC000359354891 410617299 /nfs/dbraw/zinc/61/72/99/410617299.db2.gz VEYHAIPMODNPCT-ZDUSSCGKSA-N 0 3 318.377 1.673 20 5 DDBDHN Cc1ccc([C@H](C)NC(=O)C(N)C(F)(F)F)cc1[N+](=O)[O-] ZINC000353010359 410731877 /nfs/dbraw/zinc/73/18/77/410731877.db2.gz IPVWZNXSAACCGH-XVKPBYJWSA-N 0 3 305.256 1.970 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c1 ZINC000343829906 410732034 /nfs/dbraw/zinc/73/20/34/410732034.db2.gz NHUCSGXQWPTVRC-YGRLFVJLSA-N 0 3 319.361 1.816 20 5 DDBDHN CCN1CCN([C@H](C)CNc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000301668473 410767185 /nfs/dbraw/zinc/76/71/85/410767185.db2.gz XVFGRAOKXSJOFA-GFCCVEGCSA-N 0 3 307.398 1.736 20 5 DDBDHN COc1cc(CNC[C@H](CO)C2CC2)c([N+](=O)[O-])cc1OC ZINC000353078527 410772478 /nfs/dbraw/zinc/77/24/78/410772478.db2.gz HVSYPYHTGJKUGA-GFCCVEGCSA-N 0 3 310.350 1.720 20 5 DDBDHN CCCc1n[nH]c(C(=O)N(C)[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000348517846 410994178 /nfs/dbraw/zinc/99/41/78/410994178.db2.gz YSFNXIDFZDVPPO-NSHDSACASA-N 0 3 321.381 1.579 20 5 DDBDHN CCCc1[nH]nc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000348517846 410994182 /nfs/dbraw/zinc/99/41/82/410994182.db2.gz YSFNXIDFZDVPPO-NSHDSACASA-N 0 3 321.381 1.579 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N(C)CCN2CCCC2)c1[N+](=O)[O-] ZINC000331209644 411019265 /nfs/dbraw/zinc/01/92/65/411019265.db2.gz GYYWYEUXBVELNF-UHFFFAOYSA-N 0 3 309.370 1.609 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N(C)CCN2CCCC2)c1[N+](=O)[O-] ZINC000331209644 411019272 /nfs/dbraw/zinc/01/92/72/411019272.db2.gz GYYWYEUXBVELNF-UHFFFAOYSA-N 0 3 309.370 1.609 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCN2CCCC[C@H]2C)n1 ZINC000331209011 411021025 /nfs/dbraw/zinc/02/10/25/411021025.db2.gz QBQFQONQAIEBOI-LLVKDONJSA-N 0 3 309.370 1.415 20 5 DDBDHN Cc1cc(N(C)C2CCN(CCO)CC2)c(F)cc1[N+](=O)[O-] ZINC000360083869 411036689 /nfs/dbraw/zinc/03/66/89/411036689.db2.gz RKAULWSYYTUMEE-UHFFFAOYSA-N 0 3 311.357 1.935 20 5 DDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417232755 225256538 /nfs/dbraw/zinc/25/65/38/225256538.db2.gz MYEJLZCSGUBXTR-NWDGAFQWSA-N 0 3 306.366 1.529 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H](N2CCCC2)C1 ZINC000366142783 418433772 /nfs/dbraw/zinc/43/37/72/418433772.db2.gz MWLGCYLOZJSTGT-CYBMUJFWSA-N 0 3 304.350 1.690 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)CCN1CCN(C)CC1 ZINC000361012714 418565264 /nfs/dbraw/zinc/56/52/64/418565264.db2.gz HCXGNKBEMNVJOI-GFCCVEGCSA-N 0 3 324.429 1.558 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000375038637 418592736 /nfs/dbraw/zinc/59/27/36/418592736.db2.gz MAZJASZGVMQJJD-DOMZBBRYSA-N 0 3 319.361 1.526 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H](n3cccn3)C2)c1 ZINC000368269711 418713238 /nfs/dbraw/zinc/71/32/38/418713238.db2.gz NADPGSWZQSMRDC-HUUCEWRRSA-N 0 3 302.334 1.772 20 5 DDBDHN CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000361593754 418689453 /nfs/dbraw/zinc/68/94/53/418689453.db2.gz HICVYHGTKJRNPY-KBPBESRZSA-N 0 3 310.350 1.445 20 5 DDBDHN CNc1ccc(C(=O)NC[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000387573795 418743410 /nfs/dbraw/zinc/74/34/10/418743410.db2.gz XOWQLLCTPICGLJ-LLVKDONJSA-N 0 3 306.366 1.708 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCC[C@@H](CO)C1 ZINC000371688061 418809188 /nfs/dbraw/zinc/80/91/88/418809188.db2.gz CLWUJUQLBRZLQK-KGLIPLIRSA-N 0 3 324.377 1.429 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000365595282 418879750 /nfs/dbraw/zinc/87/97/50/418879750.db2.gz CQNHHDLGTGPFLY-OLZOCXBDSA-N 0 3 323.397 1.061 20 5 DDBDHN NC(=O)c1ccc(CN2CC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000372155909 418841070 /nfs/dbraw/zinc/84/10/70/418841070.db2.gz HVBCRMVCOPUPMB-OCCSQVGLSA-N 0 3 319.361 1.552 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2C[C@H](O)C[C@@H]2c2ccccc2)n1 ZINC000411948343 419512791 /nfs/dbraw/zinc/51/27/91/419512791.db2.gz PQNWEPGZLRNRRD-ZIAGYGMSSA-N 0 3 302.334 1.599 20 5 DDBDHN CC(C)c1ccc([C@@H](N)CNC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000422797485 419967446 /nfs/dbraw/zinc/96/74/46/419967446.db2.gz MVSSYNDIUSVOJJ-LBPRGKRZSA-N 0 3 317.349 1.871 20 5 DDBDHN CN1CCNC[C@H]1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423517859 420068906 /nfs/dbraw/zinc/06/89/06/420068906.db2.gz OJFZKFMBVPZIDI-HOCLYGCPSA-N 0 3 304.394 1.465 20 5 DDBDHN CN(CCCNC(=O)C1CCC1)CCn1ccc([N+](=O)[O-])n1 ZINC000429555788 420025574 /nfs/dbraw/zinc/02/55/74/420025574.db2.gz GBIOFBYZFOTNDL-UHFFFAOYSA-N 0 3 309.370 1.030 20 5 DDBDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000415510793 420094546 /nfs/dbraw/zinc/09/45/46/420094546.db2.gz ZRUWTWQBJKSRJG-JOYOIKCWSA-N 0 3 308.338 1.829 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CNCCO1 ZINC000415484380 420085577 /nfs/dbraw/zinc/08/55/77/420085577.db2.gz OCOLVKYELWBPIO-LLVKDONJSA-N 0 3 308.338 1.322 20 5 DDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCNC[C@](C)(F)C1 ZINC000420330686 420214006 /nfs/dbraw/zinc/21/40/06/420214006.db2.gz LNYSJIQWYPUKCL-ABAIWWIYSA-N 0 3 324.356 1.555 20 5 DDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCNC[C@](C)(F)C1 ZINC000420340451 420221362 /nfs/dbraw/zinc/22/13/62/420221362.db2.gz PHJKYMJDRJYQFN-ABAIWWIYSA-N 0 3 324.356 1.555 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNC[C@](C)(F)C1 ZINC000420347140 420227742 /nfs/dbraw/zinc/22/77/42/420227742.db2.gz XPDJPCSGOQFPCO-HNNXBMFYSA-N 0 3 324.356 1.475 20 5 DDBDHN Cc1cc(OCC(=O)N2CCC[C@@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000435616237 420266058 /nfs/dbraw/zinc/26/60/58/420266058.db2.gz KASYYUCDAYVWCG-CYBMUJFWSA-N 0 3 321.377 1.835 20 5 DDBDHN CN(C)[C@@]1(CNc2c(C(N)=O)cccc2[N+](=O)[O-])CCSC1 ZINC000420607241 420329139 /nfs/dbraw/zinc/32/91/39/420329139.db2.gz ZUFDWIVVRIKJEE-CQSZACIVSA-N 0 3 324.406 1.543 20 5 DDBDHN Cc1cc(S(=O)(=O)NC(C)(C)CN(C)C)ccc1[N+](=O)[O-] ZINC000416510968 420401916 /nfs/dbraw/zinc/40/19/16/420401916.db2.gz WGROSSJOPPTJNA-UHFFFAOYSA-N 0 3 315.395 1.522 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000440361690 420570718 /nfs/dbraw/zinc/57/07/18/420570718.db2.gz YMNKPBZRYULKFY-NSHDSACASA-N 0 3 313.379 1.181 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457132383 420626101 /nfs/dbraw/zinc/62/61/01/420626101.db2.gz USURNMVGDSNVIK-GFCCVEGCSA-N 0 3 306.366 1.853 20 5 DDBDHN CNc1nc(C(=O)NCCN2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000454728458 420915937 /nfs/dbraw/zinc/91/59/37/420915937.db2.gz DOEWHNFFURFHCC-LLVKDONJSA-N 0 3 321.381 1.493 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC(=O)N(C2CC2)C1 ZINC000449223017 420972206 /nfs/dbraw/zinc/97/22/06/420972206.db2.gz IYYWOMVUKNSYNM-YPMHNXCESA-N 0 3 303.362 1.879 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000449223014 420972653 /nfs/dbraw/zinc/97/26/53/420972653.db2.gz IYYWOMVUKNSYNM-WCQYABFASA-N 0 3 303.362 1.879 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCCCN1CCO ZINC000450612628 421217250 /nfs/dbraw/zinc/21/72/50/421217250.db2.gz KFLJYXPBXLZHQT-GFCCVEGCSA-N 0 3 311.386 1.378 20 5 DDBDHN C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])N1CCC(C)CC1 ZINC000547730704 421360713 /nfs/dbraw/zinc/36/07/13/421360713.db2.gz OIIBJYJHKMYNGQ-NSHDSACASA-N 0 3 321.381 1.422 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000571162312 421693018 /nfs/dbraw/zinc/69/30/18/421693018.db2.gz PYFBGFASRWGYQX-NFAWXSAZSA-N 0 3 322.361 1.445 20 5 DDBDHN CNc1ccc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000520371552 421748186 /nfs/dbraw/zinc/74/81/86/421748186.db2.gz XGPMTTOAUPVEFC-ZDUSSCGKSA-N 0 3 318.377 1.945 20 5 DDBDHN COC[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000542524878 421824211 /nfs/dbraw/zinc/82/42/11/421824211.db2.gz DQOWAOZUNVUYJM-CABCVRRESA-N 0 3 321.377 1.961 20 5 DDBDHN N[C@@H](CC(F)F)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000345751008 272323838 /nfs/dbraw/zinc/32/38/38/272323838.db2.gz BYWMDMQENBEKSX-QMMMGPOBSA-N 0 3 302.281 1.105 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000269459873 276040257 /nfs/dbraw/zinc/04/02/57/276040257.db2.gz HMPWLOGPXKTCJK-SNVBAGLBSA-N 0 3 309.370 1.608 20 5 DDBDHN C[C@@H](Cn1cc(Br)cc([N+](=O)[O-])c1=O)N(C)C ZINC000331088151 277594242 /nfs/dbraw/zinc/59/42/42/277594242.db2.gz RQFXXXINEBZOSQ-ZETCQYMHSA-N 0 3 304.144 1.469 20 5 DDBDHN CC(C)[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000159052687 280171155 /nfs/dbraw/zinc/17/11/55/280171155.db2.gz LJLODJZHNLEQGV-CQSZACIVSA-N 0 3 308.382 1.709 20 5 DDBDHN COCCN1CCC[C@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000170808195 298222237 /nfs/dbraw/zinc/22/22/37/298222237.db2.gz ZWQSICPJOMLKJI-AWEZNQCLSA-N 0 3 321.377 1.744 20 5 DDBDHN CC(C)CN(C(=O)c1cc([N+](=O)[O-])nn1C)C1CCN(C)CC1 ZINC000362251868 300038250 /nfs/dbraw/zinc/03/82/50/300038250.db2.gz VCDHDQNPPVJBEA-UHFFFAOYSA-N 0 3 323.397 1.521 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCOCC1 ZINC000363378561 300259892 /nfs/dbraw/zinc/25/98/92/300259892.db2.gz ABYSBKQFAZKFRV-UHFFFAOYSA-N 0 3 307.350 1.954 20 5 DDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])s1 ZINC000363692485 300297196 /nfs/dbraw/zinc/29/71/96/300297196.db2.gz MRNJLXFDICYABA-NXEZZACHSA-N 0 3 311.363 1.249 20 5 DDBDHN CC(C)N1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000363919942 300325725 /nfs/dbraw/zinc/32/57/25/300325725.db2.gz KUUBNFRMTPFQLC-OAHLLOKOSA-N 0 3 319.409 1.595 20 5 DDBDHN CC(C)NC(=O)CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365840234 300591950 /nfs/dbraw/zinc/59/19/50/300591950.db2.gz UYBATNZVXQYXCJ-UHFFFAOYSA-N 0 3 309.370 1.343 20 5 DDBDHN Cc1cc(N2CCCN(CC(C)(C)O)CC2)ncc1[N+](=O)[O-] ZINC000368720716 301080802 /nfs/dbraw/zinc/08/08/02/301080802.db2.gz AJYNZTTUCZRSGP-UHFFFAOYSA-N 0 3 308.382 1.581 20 5 DDBDHN C[C@H](CN1CCOCC1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019333 301120189 /nfs/dbraw/zinc/12/01/89/301120189.db2.gz XLGWVRMUWQDWJT-ZIAGYGMSSA-N 0 3 323.397 1.149 20 5 DDBDHN Cc1nc(C)n(C[C@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000369996092 301254977 /nfs/dbraw/zinc/25/49/77/301254977.db2.gz LQJCOBRTKQXBAW-CYBMUJFWSA-N 0 3 319.369 1.164 20 5 DDBDHN CN(C)C/C=C/C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375389957 301930077 /nfs/dbraw/zinc/93/00/77/301930077.db2.gz GLRLMCOGRUDGOD-FVOPLDGLSA-N 0 3 307.354 1.073 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1cccc(O)c1 ZINC000521426516 302873696 /nfs/dbraw/zinc/87/36/96/302873696.db2.gz GKGFKVOBPUGJTL-AWEZNQCLSA-N 0 3 318.329 1.830 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)N1CCCC1 ZINC000522757123 302891574 /nfs/dbraw/zinc/89/15/74/302891574.db2.gz VGIORGWRIRCBOQ-LLVKDONJSA-N 0 3 309.370 1.090 20 5 DDBDHN CNc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000538714002 303390308 /nfs/dbraw/zinc/39/03/08/303390308.db2.gz GFVUDZNREXXXAJ-IAQYHMDHSA-N 0 3 318.377 1.803 20 5 DDBDHN COC[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000542523934 303441038 /nfs/dbraw/zinc/44/10/38/303441038.db2.gz BYDHNXMILVWDCG-CQSZACIVSA-N 0 3 309.366 1.818 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000362254139 307015744 /nfs/dbraw/zinc/01/57/44/307015744.db2.gz BOCBYPWNTBCYJH-ZYHUDNBSSA-N 0 3 321.381 1.437 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000362254139 307015745 /nfs/dbraw/zinc/01/57/45/307015745.db2.gz BOCBYPWNTBCYJH-ZYHUDNBSSA-N 0 3 321.381 1.437 20 5 DDBDHN Cc1c(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000363738554 307034841 /nfs/dbraw/zinc/03/48/41/307034841.db2.gz ZCGYVODJTJMQTE-SJORKVTESA-N 0 3 319.405 1.934 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)[C@@H]2C1 ZINC000367253623 307089855 /nfs/dbraw/zinc/08/98/55/307089855.db2.gz SQYSIDXJDYWSPB-YMTOWFKASA-N 0 3 322.340 1.482 20 5 DDBDHN COC(=O)c1cc(NC(=O)[C@]2(F)CCNC2)cc([N+](=O)[O-])c1 ZINC000377145496 307264550 /nfs/dbraw/zinc/26/45/50/307264550.db2.gz WROXHCQZKRCUHU-ZDUSSCGKSA-N 0 3 311.269 1.022 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@H]21 ZINC000378474491 307288738 /nfs/dbraw/zinc/28/87/38/307288738.db2.gz RBEOYIPRHRRNOW-IINYFYTJSA-N 0 3 307.325 1.900 20 5 DDBDHN CN1C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000425059416 307301808 /nfs/dbraw/zinc/30/18/08/307301808.db2.gz RPFRZOKBAZAKMR-IINYFYTJSA-N 0 3 307.325 1.900 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(CCO)CC1 ZINC000542281487 307698429 /nfs/dbraw/zinc/69/84/29/307698429.db2.gz FBELECSINRXPQT-CQSZACIVSA-N 0 3 324.377 1.429 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCc1nccs1 ZINC000564849029 308008492 /nfs/dbraw/zinc/00/84/92/308008492.db2.gz PPHOHJLOLSDTOT-NSHDSACASA-N 0 3 323.374 1.623 20 5 DDBDHN CCc1ccc(S(=O)(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000575922226 308282376 /nfs/dbraw/zinc/28/23/76/308282376.db2.gz NCXXKWCMXFRTNK-UHFFFAOYSA-N 0 3 313.379 1.141 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595875162 490372565 /nfs/dbraw/zinc/37/25/65/490372565.db2.gz PWFBSUPWRHBQGQ-IOASZLSFSA-N 0 3 324.377 1.285 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000330923166 534103781 /nfs/dbraw/zinc/10/37/81/534103781.db2.gz SGBLICMNESKOFL-STQMWFEESA-N 0 3 320.393 1.630 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@]2(CCOC2)C1 ZINC000451893740 534321705 /nfs/dbraw/zinc/32/17/05/534321705.db2.gz CEORIJNSUGDCLN-OAHLLOKOSA-N 0 3 307.350 1.259 20 5 DDBDHN Cc1nc(NC2CCN(CCN(C)C)CC2)ncc1[N+](=O)[O-] ZINC000296651355 534486345 /nfs/dbraw/zinc/48/63/45/534486345.db2.gz XKFYBTBCUTYAKT-UHFFFAOYSA-N 0 3 308.386 1.131 20 5 DDBDHN CCN1CCN(CCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000296597251 529146103 /nfs/dbraw/zinc/14/61/03/529146103.db2.gz SLFHWAWPEKONTL-UHFFFAOYSA-N 0 3 318.381 1.521 20 5 DDBDHN O=[N+]([O-])c1ccc2c(cnn2CN2CCN(CC3CC3)CC2)c1 ZINC000054551140 696277206 /nfs/dbraw/zinc/27/72/06/696277206.db2.gz GTISMBDYEJDOJS-UHFFFAOYSA-N 0 3 315.377 1.930 20 5 DDBDHN O=C(CCNC[C@H](O)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000799993610 700179580 /nfs/dbraw/zinc/17/95/80/700179580.db2.gz ITJXHJTUBDBSTF-ZDUSSCGKSA-N 0 3 319.317 1.840 20 5 DDBDHN CNC(=O)C1(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000750096445 700203309 /nfs/dbraw/zinc/20/33/09/700203309.db2.gz OERDAPIJPZQPFE-CYBMUJFWSA-N 0 3 307.350 1.277 20 5 DDBDHN CC(C)Oc1cc(C(=O)NOCCN(C)C)ccc1[N+](=O)[O-] ZINC000839781289 701824961 /nfs/dbraw/zinc/82/49/61/701824961.db2.gz LQQXLKRZIJOIAM-UHFFFAOYSA-N 0 3 311.338 1.605 20 5 DDBDHN CO[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@](C)(CO)C1 ZINC000879261387 706633133 /nfs/dbraw/zinc/63/31/33/706633133.db2.gz JMGVNWZFIXPNRL-SOUVJXGZSA-N 0 3 310.350 1.100 20 5 DDBDHN CN1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000866214366 706651584 /nfs/dbraw/zinc/65/15/84/706651584.db2.gz NSOIEXDIBQSYML-UHFFFAOYSA-N 0 3 322.384 1.950 20 5 DDBDHN CC(C)S(=O)(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102066 702290856 /nfs/dbraw/zinc/29/08/56/702290856.db2.gz ALGQGUCSSWDXMH-JTQLQIEISA-N 0 3 315.347 1.691 20 5 DDBDHN CCN(CC)C(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813107488 702294370 /nfs/dbraw/zinc/29/43/70/702294370.db2.gz QYJODDVAIXKTMN-NSHDSACASA-N 0 3 308.334 1.991 20 5 DDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1Cc1ccc(F)cc1 ZINC000813108898 702295575 /nfs/dbraw/zinc/29/55/75/702295575.db2.gz BUYDTALTKYSLEV-VIFPVBQESA-N 0 3 322.296 1.596 20 5 DDBDHN CC(COC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)[N+](=O)[O-] ZINC000813109817 702295930 /nfs/dbraw/zinc/29/59/30/702295930.db2.gz WQUPMDFXUJYGAV-UWVGGRQHSA-N 0 3 310.281 1.387 20 5 DDBDHN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813110533 702296405 /nfs/dbraw/zinc/29/64/05/702296405.db2.gz COORYLFRYFNBHN-TZMCWYRMSA-N 0 3 322.361 1.722 20 5 DDBDHN CC(COC(=O)C1CCN(C(=O)c2ccccc2)CC1)[N+](=O)[O-] ZINC000813114284 702299502 /nfs/dbraw/zinc/29/95/02/702299502.db2.gz ORROANDKJONMBY-LBPRGKRZSA-N 0 3 320.345 1.747 20 5 DDBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCCS(C)(=O)=O ZINC000866249984 706657712 /nfs/dbraw/zinc/65/77/12/706657712.db2.gz RQBXPMVYMSOLTA-VIFPVBQESA-N 0 3 304.343 1.299 20 5 DDBDHN CC(COC(=O)[C@]1(C(=O)OC(C)(C)C)CC1(C)C)[N+](=O)[O-] ZINC000851037341 703774867 /nfs/dbraw/zinc/77/48/67/703774867.db2.gz UALVIPOAMKKCGC-XPTSAGLGSA-N 0 3 301.339 1.953 20 5 DDBDHN Cc1nc([C@@H]2CCOC2)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000870376346 704014654 /nfs/dbraw/zinc/01/46/54/704014654.db2.gz GUJPYCGKYYPURF-VXNVDRBHSA-N 0 3 300.336 1.777 20 5 DDBDHN CN(C)CCn1nccc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818936947 704028595 /nfs/dbraw/zinc/02/85/95/704028595.db2.gz CHTOQUOMWMTLEK-UHFFFAOYSA-N 0 3 318.337 1.187 20 5 DDBDHN CC(C)N1C[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000818996458 704047417 /nfs/dbraw/zinc/04/74/17/704047417.db2.gz QWKMTIONNIDEKF-TZMCWYRMSA-N 0 3 307.350 1.227 20 5 DDBDHN O=C1CC[C@@H]2CN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1 ZINC000852495721 704062168 /nfs/dbraw/zinc/06/21/68/704062168.db2.gz MTMYJOHZMGXXQE-VHDGCEQUSA-N 0 3 319.361 1.229 20 5 DDBDHN CCC[C@H](C)C(=O)NCCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819330494 704108773 /nfs/dbraw/zinc/10/87/73/704108773.db2.gz SSJCRPZEVBZZPW-WFASDCNBSA-N 0 3 323.393 1.770 20 5 DDBDHN CN1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCC1(C)C ZINC000871149380 704230566 /nfs/dbraw/zinc/23/05/66/704230566.db2.gz FHJTUMFTDHHJTA-UHFFFAOYSA-N 0 3 306.366 1.733 20 5 DDBDHN CN(CC1CN(C)C1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000853552957 704266730 /nfs/dbraw/zinc/26/67/30/704266730.db2.gz IXTSOXWMMVNUOD-UHFFFAOYSA-N 0 3 316.365 1.304 20 5 DDBDHN C[NH+](C)CCO[N-]C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000820997619 704356972 /nfs/dbraw/zinc/35/69/72/704356972.db2.gz YBSQBTCGZRLLNV-UHFFFAOYSA-N 0 3 315.757 1.790 20 5 DDBDHN CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1CCN(C)C1 ZINC000855360483 704480774 /nfs/dbraw/zinc/48/07/74/704480774.db2.gz LYIQVGCUCRLZCY-VIFPVBQESA-N 0 3 310.329 1.482 20 5 DDBDHN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000856409288 704527432 /nfs/dbraw/zinc/52/74/32/704527432.db2.gz LKGPHDBFHDINDD-GXSJLCMTSA-N 0 3 322.321 1.716 20 5 DDBDHN O=[N+]([O-])c1ccccc1N1CCN(c2ccnc(CO)c2)CC1 ZINC000858313686 704693316 /nfs/dbraw/zinc/69/33/16/704693316.db2.gz PMHYOTCKTRSKJV-UHFFFAOYSA-N 0 3 314.345 1.809 20 5 DDBDHN CCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000861890236 705595936 /nfs/dbraw/zinc/59/59/36/705595936.db2.gz DZSZJLVMXPWBIF-OAHLLOKOSA-N 0 3 321.377 1.571 20 5 DDBDHN CN(CCN1CCCC1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825694368 705716306 /nfs/dbraw/zinc/71/63/06/705716306.db2.gz XDOPCMURMSVGLE-CQSZACIVSA-N 0 3 307.350 1.182 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC2(CC1)COCCO2 ZINC000880546933 707012734 /nfs/dbraw/zinc/01/27/34/707012734.db2.gz WUAQVKBQUHYXCF-UHFFFAOYSA-N 0 3 322.361 1.985 20 5 DDBDHN O=[N+]([O-])c1ccc(N2C[C@@H]3CCCN3C[C@@H]2CO)c(Cl)c1 ZINC000872757710 707587143 /nfs/dbraw/zinc/58/71/43/707587143.db2.gz GFBWMBQUWJNOAW-NWDGAFQWSA-N 0 3 311.769 1.894 20 5 DDBDHN CNC(=O)c1ccc(N2CC[C@@H]3[C@H]2CCCN3C)c([N+](=O)[O-])c1 ZINC000872781604 707597629 /nfs/dbraw/zinc/59/76/29/707597629.db2.gz VZKYNHHMICEPEL-CHWSQXEVSA-N 0 3 318.377 1.627 20 5 DDBDHN CCN1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910288546 709869116 /nfs/dbraw/zinc/86/91/16/709869116.db2.gz WUEOVJAKWNMZIH-CYBMUJFWSA-N 0 3 321.377 1.916 20 5 DDBDHN COC(=O)Cc1ccc(N[C@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000895738495 711591377 /nfs/dbraw/zinc/59/13/77/711591377.db2.gz WTPHQFJXUIMQHK-JQWIXIFHSA-N 0 3 307.350 1.815 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCN2C2CCOCC2)n1 ZINC000896524202 711738258 /nfs/dbraw/zinc/73/82/58/711738258.db2.gz WDBLAOPBOQATSP-CYBMUJFWSA-N 0 3 306.366 1.963 20 5 DDBDHN CCN1CCC[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000905550273 712074236 /nfs/dbraw/zinc/07/42/36/712074236.db2.gz IRFUPLCXCRUEEN-ZIAGYGMSSA-N 0 3 307.350 1.229 20 5 DDBDHN C[C@@H](NC(C)(C)CO)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000916572465 713458681 /nfs/dbraw/zinc/45/86/81/713458681.db2.gz JECNCXBHIIVXFL-MRVPVSSYSA-N 0 3 315.757 1.936 20 5 DDBDHN C[C@](CO)(NC[C@@H]1C[C@H]2COC[C@@H]2O1)c1cccc([N+](=O)[O-])c1 ZINC000931471468 714105617 /nfs/dbraw/zinc/10/56/17/714105617.db2.gz RMQKSAPTBHZMMB-VCOSZWKGSA-N 0 3 322.361 1.196 20 5 DDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000923299361 714302237 /nfs/dbraw/zinc/30/22/37/714302237.db2.gz UDJLGXKWUPVSDP-WDEREUQCSA-N 0 3 322.340 1.625 20 5 DDBDHN C[C@@H]1COC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000932494759 714346601 /nfs/dbraw/zinc/34/66/01/714346601.db2.gz QUUGWLWEMKGCHE-ZWNOBZJWSA-N 0 3 305.334 1.108 20 5 DDBDHN O=[N+]([O-])c1cccc(F)c1CN1CC[C@H]2[C@H]1CCCN2CCO ZINC000934258282 714777755 /nfs/dbraw/zinc/77/77/55/714777755.db2.gz CMKGNSJLIGXJAX-CVEARBPZSA-N 0 3 323.368 1.765 20 5 DDBDHN C[C@@H](c1nnc(N2CCN(C3CCCCC3)CC2)n1C)[N+](=O)[O-] ZINC001121296874 782446967 /nfs/dbraw/zinc/44/69/67/782446967.db2.gz LXRSHNIMCDIWIP-LBPRGKRZSA-N 0 3 322.413 1.608 20 5 DDBDHN NCc1nn(-c2cc([N+](=O)[O-])c3nncn3c2)c2ccccc12 ZINC001167698409 736292594 /nfs/dbraw/zinc/29/25/94/736292594.db2.gz VQYJQBOAYMUTNW-UHFFFAOYSA-N 0 3 309.289 1.435 20 5 DDBDHN Cc1nn(C)c(N2CCN[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC001187686567 744591075 /nfs/dbraw/zinc/59/10/75/744591075.db2.gz QJCNOALZXCWAHJ-ZDUSSCGKSA-N 0 3 301.350 1.788 20 5 DDBDHN CCOC(=O)c1cc(-n2ccc([C@@H](C)N)n2)ccc1[N+](=O)[O-] ZINC001169234651 762294249 /nfs/dbraw/zinc/29/42/49/762294249.db2.gz JIOKTGATFDYQKJ-SECBINFHSA-N 0 3 304.306 1.977 20 5 DDBDHN CC(C)N(C)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001097190241 756977611 /nfs/dbraw/zinc/97/76/11/756977611.db2.gz NAHWEXPHIFLHOD-TXEJJXNPSA-N 0 3 321.381 1.389 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H]2CCNC2=O)c1F ZINC001173175624 777033965 /nfs/dbraw/zinc/03/39/65/777033965.db2.gz CAIZCIOBMMOJAP-WCBMZHEXSA-N 0 3 311.313 1.152 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)CN(C)C(C)C)n1 ZINC001101657888 777354814 /nfs/dbraw/zinc/35/48/14/777354814.db2.gz WLTYPQSRFRIJNW-UHFFFAOYSA-N 0 3 323.397 1.509 20 5 DDBDHN CCC1(CC)CNC(=O)[C@@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001176454024 778153316 /nfs/dbraw/zinc/15/33/16/778153316.db2.gz YETDAIOOQVMTAE-KBPBESRZSA-N 0 3 321.377 1.523 20 5 DDBDHN O=C(Cc1ccc[nH]1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001176644553 778199806 /nfs/dbraw/zinc/19/98/06/778199806.db2.gz VQSATHOOUVWSRI-UHFFFAOYSA-N 0 3 316.361 1.762 20 5 DDBDHN O=[N+]([O-])c1cccc(-n2nc(C(F)(F)F)c3c2CCNC3)n1 ZINC001154848669 861510630 /nfs/dbraw/zinc/51/06/30/861510630.db2.gz ZGXIYFRCARGAFH-UHFFFAOYSA-N 0 3 313.239 1.840 20 5 DDBDHN NCc1ccnn1-c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001155124817 861755039 /nfs/dbraw/zinc/75/50/39/861755039.db2.gz OOEDKUGXZNPNFS-UHFFFAOYSA-N 0 3 322.634 1.701 20 5 DDBDHN C/C(=C/C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC001155166455 861793254 /nfs/dbraw/zinc/79/32/54/861793254.db2.gz SLFINXVAXWVBLG-FLIBITNWSA-N 0 3 321.381 1.281 20 5 DDBDHN O=C([O-])CN1CCC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC001329775804 863846462 /nfs/dbraw/zinc/84/64/62/863846462.db2.gz VSZUWAGLEJGANQ-HWKANZROSA-N 0 3 319.361 1.747 20 5 DDBDHN Cc1nc(Cl)nc(N[C@H](C)[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159489148 865342488 /nfs/dbraw/zinc/34/24/88/865342488.db2.gz KKYZTLJJHUGECJ-HTRCEHHLSA-N 0 3 301.734 1.135 20 5 DDBDHN O=[N+]([O-])c1cc2c(nc1N1CC(N[C@H]3CCOC3)C1)CCCC2 ZINC001164233793 869041125 /nfs/dbraw/zinc/04/11/25/869041125.db2.gz BRPVJSOJWRFLRZ-LBPRGKRZSA-N 0 3 318.377 1.436 20 5 DDBDHN C[C@](O)(CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001336699024 869098170 /nfs/dbraw/zinc/09/81/70/869098170.db2.gz JATJWZZRZYIOIN-MNOVXSKESA-N 0 3 308.256 1.531 20 5 DDBDHN O=[N+]([O-])c1ccccc1-c1ccc(-n2ncc3c2CCNC3)nn1 ZINC001165222654 869445681 /nfs/dbraw/zinc/44/56/81/869445681.db2.gz GNICQWJBSMQZHG-UHFFFAOYSA-N 0 3 322.328 1.883 20 5 DDBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001341027564 871473584 /nfs/dbraw/zinc/47/35/84/871473584.db2.gz JBSLSTVHEIGPPN-SDDRHHMPSA-N 0 3 306.366 1.604 20 5 DDBDHN CN1CCCC[C@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001347505016 874165475 /nfs/dbraw/zinc/16/54/75/874165475.db2.gz UOOJJDVBKDPNPE-KBPBESRZSA-N 0 3 307.350 1.229 20 5 DDBDHN COCCCN1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254602497 896527671 /nfs/dbraw/zinc/52/76/71/896527671.db2.gz FZULSZCSAKQINO-KRWDZBQOSA-N 0 3 319.405 1.716 20 5 DDBDHN C[C@@H]1CN(CCCCNc2c([N+](=O)[O-])cnn2C)C[C@H](C)O1 ZINC001262360008 900130542 /nfs/dbraw/zinc/13/05/42/900130542.db2.gz RUHMTQZEZYHNKK-TXEJJXNPSA-N 0 3 311.386 1.630 20 5 DDBDHN CO[C@@H]1CCC[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000451626851 231142776 /nfs/dbraw/zinc/14/27/76/231142776.db2.gz AGTDGWYVCAMSQR-ZIAGYGMSSA-N 0 3 307.350 1.715 20 5 DDBDHN Cc1cc(C(=O)NC[C@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000452347630 231355392 /nfs/dbraw/zinc/35/53/92/231355392.db2.gz JEQHZWIZBCMJOL-CQSZACIVSA-N 0 3 321.377 1.480 20 5 DDBDHN Cn1ccnc1[C@@H]1OCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000343393892 282655079 /nfs/dbraw/zinc/65/50/79/282655079.db2.gz XCROKVNSYLMXEU-ZIAGYGMSSA-N 0 3 302.334 1.948 20 5 DDBDHN C[C@@H]1NCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000262880911 186318374 /nfs/dbraw/zinc/31/83/74/186318374.db2.gz VXKFNTHHPTUOST-UWVGGRQHSA-N 0 3 311.769 2.000 20 5 DDBDHN COC(=O)c1cc(C(=O)NC[C@H](C)N(C)C)cc([N+](=O)[O-])c1 ZINC000033093009 352288355 /nfs/dbraw/zinc/28/83/55/352288355.db2.gz AGTGBXGWNHBAJG-VIFPVBQESA-N 0 3 309.322 1.061 20 5 DDBDHN CCN(CC)CCNS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601281623 358477200 /nfs/dbraw/zinc/47/72/00/358477200.db2.gz RJBMOEZGXWHODR-UHFFFAOYSA-N 0 3 321.424 1.585 20 5 DDBDHN CCN(Cc1cccs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174664742 198367780 /nfs/dbraw/zinc/36/77/80/198367780.db2.gz JZYJMEOCUGSING-GFCCVEGCSA-N 0 3 310.379 1.736 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000108301062 353949007 /nfs/dbraw/zinc/94/90/07/353949007.db2.gz LPPIONYTSIAXAD-LBPRGKRZSA-N 0 3 319.361 1.818 20 5 DDBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(OCCCO)CC1 ZINC000154842009 354209539 /nfs/dbraw/zinc/20/95/39/354209539.db2.gz IPIFOFNRVAVLHY-UHFFFAOYSA-N 0 3 324.377 1.837 20 5 DDBDHN CN(CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C1CC1 ZINC000314998627 354490591 /nfs/dbraw/zinc/49/05/91/354490591.db2.gz IXZPXJQBFXLZHR-UHFFFAOYSA-N 0 3 303.322 1.750 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](CO)CN(C)C ZINC000588866927 354944298 /nfs/dbraw/zinc/94/42/98/354944298.db2.gz TWVVUYQWMKRYEX-GFCCVEGCSA-N 0 3 309.366 1.172 20 5 DDBDHN CCc1ccc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590044204 355042370 /nfs/dbraw/zinc/04/23/70/355042370.db2.gz IFRXHFZPJYPXOM-ZFWWWQNUSA-N 0 3 303.362 1.933 20 5 DDBDHN CNc1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590441582 355095554 /nfs/dbraw/zinc/09/55/54/355095554.db2.gz DAKPKNWYHNDAFA-RISCZKNCSA-N 0 3 304.350 1.413 20 5 DDBDHN CC1(C)CNCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000591678189 355359972 /nfs/dbraw/zinc/35/99/72/355359972.db2.gz MFEUPYNYPJGYTR-UHFFFAOYSA-N 0 3 318.377 1.993 20 5 DDBDHN CN(C[C@@H]1CCCN1C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593175626 355817053 /nfs/dbraw/zinc/81/70/53/355817053.db2.gz WRBJKOAKQIAFHU-ZDUSSCGKSA-N 0 3 309.341 1.829 20 5 DDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCN2CCC1CC2 ZINC000593642931 355952167 /nfs/dbraw/zinc/95/21/67/355952167.db2.gz RZVGAQAYOXZGDS-UHFFFAOYSA-N 0 3 307.325 1.583 20 5 DDBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCNC1=O ZINC000595053293 356376788 /nfs/dbraw/zinc/37/67/88/356376788.db2.gz FYKOTSIQSRGERL-MNOVXSKESA-N 0 3 309.391 1.944 20 5 DDBDHN CC(C)(CO)[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccnc1 ZINC000595502604 356521845 /nfs/dbraw/zinc/52/18/45/356521845.db2.gz ZZGGZKJJCWENSP-AWEZNQCLSA-N 0 3 319.365 1.536 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000595607967 356574106 /nfs/dbraw/zinc/57/41/06/356574106.db2.gz MDIBRYNZNAZYDG-CYBMUJFWSA-N 0 3 317.349 1.587 20 5 DDBDHN C[C@H](N[C@@H]1C[C@H](O)C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595779211 356649095 /nfs/dbraw/zinc/64/90/95/356649095.db2.gz APXJTVPARBEPQN-GDLCADMTSA-N 0 3 319.361 1.815 20 5 DDBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc(N)c([N+](=O)[O-])n1 ZINC000596214205 356816778 /nfs/dbraw/zinc/81/67/78/356816778.db2.gz PDAGTDWCGQELAI-LLVKDONJSA-N 0 3 321.381 1.262 20 5 DDBDHN COc1cc(C[NH2+]C[C@@H](C)Cn2ccnc2)c([N+](=O)[O-])cc1[O-] ZINC000237212660 202191293 /nfs/dbraw/zinc/19/12/93/202191293.db2.gz STIKUUHCCRRFJR-LLVKDONJSA-N 0 3 320.349 1.931 20 5 DDBDHN CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@H]1CCN(CC)C1 ZINC000598041279 357439419 /nfs/dbraw/zinc/43/94/19/357439419.db2.gz SFCAIXINGURTQK-NSHDSACASA-N 0 3 323.397 1.998 20 5 DDBDHN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CCN(CC)C1 ZINC000598041279 357439420 /nfs/dbraw/zinc/43/94/20/357439420.db2.gz SFCAIXINGURTQK-NSHDSACASA-N 0 3 323.397 1.998 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000598341615 357543853 /nfs/dbraw/zinc/54/38/53/357543853.db2.gz DSGPGXBNXHXYGR-CYBMUJFWSA-N 0 3 323.397 1.399 20 5 DDBDHN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@H](C)N1 ZINC000598532474 357623515 /nfs/dbraw/zinc/62/35/15/357623515.db2.gz ZYLQLZOOYUMLRD-CMPLNLGQSA-N 0 3 307.350 1.816 20 5 DDBDHN Cc1cc(OCC(=O)N2CCN[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000598572026 357636992 /nfs/dbraw/zinc/63/69/92/357636992.db2.gz KEZONAJSWUEUTH-AWEZNQCLSA-N 0 3 321.377 1.738 20 5 DDBDHN O=[N+]([O-])c1ccc(NCCN2CC[C@@H](O)C2)c2ccncc21 ZINC000599176769 357840475 /nfs/dbraw/zinc/84/04/75/357840475.db2.gz XHTKEPVHVQVZMA-LLVKDONJSA-N 0 3 302.334 1.622 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)nccc2NCCN1CC[C@H](O)C1 ZINC000599198978 357847389 /nfs/dbraw/zinc/84/73/89/357847389.db2.gz DKHCPAFPIRQXNH-LBPRGKRZSA-N 0 3 302.334 1.622 20 5 DDBDHN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000179863063 199089385 /nfs/dbraw/zinc/08/93/85/199089385.db2.gz NHURVNNSUMGQCF-LBPRGKRZSA-N 0 3 321.377 1.962 20 5 DDBDHN O=C(NC[C@H]1CCN1C1CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000599766048 358053025 /nfs/dbraw/zinc/05/30/25/358053025.db2.gz IJLOXWIFIPVZJX-GFCCVEGCSA-N 0 3 319.365 1.550 20 5 DDBDHN Nc1c(C(=O)NC[C@H]2CCN2C2CCCC2)cccc1[N+](=O)[O-] ZINC000600474577 358234940 /nfs/dbraw/zinc/23/49/40/358234940.db2.gz YZZPAVIUFPFLPJ-GFCCVEGCSA-N 0 3 318.377 1.924 20 5 DDBDHN CC(C)N(C)CC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601776271 358690570 /nfs/dbraw/zinc/69/05/70/358690570.db2.gz IGBIWJSGGJZNGJ-HNNXBMFYSA-N 0 3 309.366 1.259 20 5 DDBDHN CN1C[C@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC000602673584 359118596 /nfs/dbraw/zinc/11/85/96/359118596.db2.gz WAVQSHPJGFRCTJ-ZWNOBZJWSA-N 0 3 302.334 1.872 20 5 DDBDHN CCOCCO[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602800424 359200253 /nfs/dbraw/zinc/20/02/53/359200253.db2.gz MNAIXOODUKTZKJ-ZDUSSCGKSA-N 0 3 312.370 1.227 20 5 DDBDHN CN(C)C1(CN(C)C(=O)CCn2cc([N+](=O)[O-])cn2)CCC1 ZINC000186990118 200044664 /nfs/dbraw/zinc/04/46/64/200044664.db2.gz CBBMFRXBEVUSJP-UHFFFAOYSA-N 0 3 309.370 1.124 20 5 DDBDHN O=[N+]([O-])c1cc2c(nc1NC[C@@H]1CSCCN1)CCCC2 ZINC000603417795 359627240 /nfs/dbraw/zinc/62/72/40/359627240.db2.gz BJSRBBZEKVUEEU-LLVKDONJSA-N 0 3 308.407 1.986 20 5 DDBDHN Cc1c(C(=O)Nc2cnn(CCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000604511314 359759277 /nfs/dbraw/zinc/75/92/77/359759277.db2.gz UYDIEJUXMJKNRD-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CN1 ZINC000237612153 202304883 /nfs/dbraw/zinc/30/48/83/202304883.db2.gz GNCJUCVYANRARE-UWVGGRQHSA-N 0 3 311.769 2.000 20 5 DDBDHN COc1cc(CNC[C@H]2CC[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000188836578 200309761 /nfs/dbraw/zinc/30/97/61/200309761.db2.gz IZJOCZYUPDMLSO-JQWIXIFHSA-N 0 3 310.350 1.863 20 5 DDBDHN Cc1cc(N2CCCN(C[C@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC000610489196 360449889 /nfs/dbraw/zinc/44/98/89/360449889.db2.gz LSBXRSSWQOHHQG-CQSZACIVSA-N 0 3 320.393 1.989 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N[C@@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000610922439 360572716 /nfs/dbraw/zinc/57/27/16/360572716.db2.gz BALPZUZKTOJCGC-LLVKDONJSA-N 0 3 321.381 1.655 20 5 DDBDHN O=[N+]([O-])c1cnc(N2CCCN(C[C@H]3CCCO3)CC2)nc1 ZINC000612778499 361142825 /nfs/dbraw/zinc/14/28/25/361142825.db2.gz LVZLZLUYQLTMEU-CYBMUJFWSA-N 0 3 307.354 1.076 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(NCCCN2CCC(O)CC2)c1 ZINC000292772757 223239162 /nfs/dbraw/zinc/23/91/62/223239162.db2.gz LZRVJRPEZSFYPW-UHFFFAOYSA-N 0 3 309.366 1.862 20 5 DDBDHN Cc1cc(OCC(=O)N[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000619536090 364051363 /nfs/dbraw/zinc/05/13/63/364051363.db2.gz IQOMHTJAJVKRLU-GFCCVEGCSA-N 0 3 307.350 1.492 20 5 DDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1)CNC2 ZINC000566102765 304117362 /nfs/dbraw/zinc/11/73/62/304117362.db2.gz ORXZSYLSFXOKGE-UHFFFAOYSA-N 0 3 301.306 1.423 20 5 DDBDHN COc1cc(C(=O)NC2CCN(C)CC2)cc([N+](=O)[O-])c1OC ZINC000266079121 205079726 /nfs/dbraw/zinc/07/97/26/205079726.db2.gz FEVMSMDXTAVFLP-UHFFFAOYSA-N 0 3 323.349 1.436 20 5 DDBDHN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000274117920 211370787 /nfs/dbraw/zinc/37/07/87/211370787.db2.gz WPBHUJDBUXUFCO-NWDGAFQWSA-N 0 3 307.350 1.572 20 5 DDBDHN CC[C@H](NC(=O)C[C@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000269248338 207384967 /nfs/dbraw/zinc/38/49/67/207384967.db2.gz QZKVRLGGFXEOGG-KBPBESRZSA-N 0 3 307.350 1.541 20 5 DDBDHN Cc1ccc([C@H](C)NC(=O)C[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000269250695 207388307 /nfs/dbraw/zinc/38/83/07/207388307.db2.gz SMCWCTQMLHOZCK-WCQYABFASA-N 0 3 307.350 1.459 20 5 DDBDHN COC(=O)[C@@H]1CN(C)CCN(c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000413503516 533010029 /nfs/dbraw/zinc/01/00/29/533010029.db2.gz SJFOYMIULPJFII-LLVKDONJSA-N 0 3 323.349 1.144 20 5 DDBDHN CN(C)CCN(Cc1ccsc1)c1c([N+](=O)[O-])ncn1C ZINC000413464346 224200590 /nfs/dbraw/zinc/20/05/90/224200590.db2.gz ZNWVMNKMEKDMGG-UHFFFAOYSA-N 0 3 309.395 1.958 20 5 DDBDHN COc1ccc(CNC(=O)NC(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000457919368 533606229 /nfs/dbraw/zinc/60/62/29/533606229.db2.gz IGNRHVLFEMSYQZ-UHFFFAOYSA-N 0 3 324.381 1.743 20 5 DDBDHN CN(C)C[C@](C)(O)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000178728971 407566565 /nfs/dbraw/zinc/56/65/65/407566565.db2.gz YHQHIKWJSVBZTJ-CYBMUJFWSA-N 0 3 315.757 1.291 20 5 DDBDHN Cc1ccc([C@H](C)NC[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000038083108 406999566 /nfs/dbraw/zinc/99/95/66/406999566.db2.gz PDSYHIRHRBFOFO-RYUDHWBXSA-N 0 3 312.391 1.989 20 5 DDBDHN CC[NH+](CC)[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066000307 407247442 /nfs/dbraw/zinc/24/74/42/407247442.db2.gz BQRWTCHLQLFSNP-VIFPVBQESA-N 0 3 321.424 1.665 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102486956 407323410 /nfs/dbraw/zinc/32/34/10/407323410.db2.gz WQHLALCCZDXHMF-LLVKDONJSA-N 0 3 309.370 1.127 20 5 DDBDHN CC[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N(C)C ZINC000124496139 407360072 /nfs/dbraw/zinc/36/00/72/407360072.db2.gz DZZHPKMPXJAVST-ZDUSSCGKSA-N 0 3 320.393 1.584 20 5 DDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c([N+](=O)[O-])cnn1C ZINC000126046453 407403601 /nfs/dbraw/zinc/40/36/01/407403601.db2.gz HQQZVEAASMQWCZ-MNOVXSKESA-N 0 3 307.354 1.027 20 5 DDBDHN CSCC[C@@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000151686901 407477591 /nfs/dbraw/zinc/47/75/91/407477591.db2.gz VCCSVNJUWGZUMJ-GFCCVEGCSA-N 0 3 312.395 1.203 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2c2ccc[nH]2)c1 ZINC000266624925 407582995 /nfs/dbraw/zinc/58/29/95/407582995.db2.gz HAULTVOPEKZBFP-OCCSQVGLSA-N 0 3 305.338 1.317 20 5 DDBDHN COCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000152331060 407614161 /nfs/dbraw/zinc/61/41/61/407614161.db2.gz CABKFYHKLUYYPD-UHFFFAOYSA-N 0 3 313.329 1.432 20 5 DDBDHN CCN1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000152821604 407698443 /nfs/dbraw/zinc/69/84/43/407698443.db2.gz XVMUNMUJUVJSFZ-GFCCVEGCSA-N 0 3 309.341 1.877 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC1(CO)CCCC1 ZINC000179060469 407707724 /nfs/dbraw/zinc/70/77/24/407707724.db2.gz PNNGCFCRCDQLNC-UHFFFAOYSA-N 0 3 307.350 1.736 20 5 DDBDHN CN(CCNC(=O)c1n[nH]cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000132349127 407781471 /nfs/dbraw/zinc/78/14/71/407781471.db2.gz LCXCWUCRSYDNKO-UHFFFAOYSA-N 0 3 321.312 1.319 20 5 DDBDHN CC[C@@H](C)[C@H](N)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000236907858 407783116 /nfs/dbraw/zinc/78/31/16/407783116.db2.gz HKXHRHCSKSTUEC-GYSYKLTISA-N 0 3 321.381 1.376 20 5 DDBDHN CC[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182318356 306703741 /nfs/dbraw/zinc/70/37/41/306703741.db2.gz VCAWSZZXMRKBRZ-TZMCWYRMSA-N 0 3 307.350 1.741 20 5 DDBDHN C[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000272497365 407951073 /nfs/dbraw/zinc/95/10/73/407951073.db2.gz GCIVIFJGOIUMCO-IUODEOHRSA-N 0 3 317.393 1.957 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000268158901 407921442 /nfs/dbraw/zinc/92/14/42/407921442.db2.gz HNJFNEJZLORCAO-PELKAZGASA-N 0 3 322.340 1.529 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000268162288 407924344 /nfs/dbraw/zinc/92/43/44/407924344.db2.gz CZEFGTNBLRUUKA-SMDDNHRTSA-N 0 3 303.362 1.736 20 5 DDBDHN CN(C)CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000119301146 408034313 /nfs/dbraw/zinc/03/43/13/408034313.db2.gz KSSSQHUINPTDPT-UHFFFAOYSA-N 0 3 303.322 1.072 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272562886 407984804 /nfs/dbraw/zinc/98/48/04/407984804.db2.gz UNRDILDCLUKAFC-GXTWGEPZSA-N 0 3 319.361 1.526 20 5 DDBDHN CC(C)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000155586885 408183030 /nfs/dbraw/zinc/18/30/30/408183030.db2.gz TWHUBHJJPUJWOF-UHFFFAOYSA-N 0 3 301.368 1.213 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCSC2)cc1 ZINC000273407516 408185444 /nfs/dbraw/zinc/18/54/44/408185444.db2.gz HKPZTKKEOJMANR-SNVBAGLBSA-N 0 3 316.404 1.464 20 5 DDBDHN Cc1ccc(-c2n[nH]cc2CNCCn2cc([N+](=O)[O-])cn2)o1 ZINC000151258368 408285747 /nfs/dbraw/zinc/28/57/47/408285747.db2.gz WXQMPNFFEXGTHJ-UHFFFAOYSA-N 0 3 316.321 1.873 20 5 DDBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000158575569 408347943 /nfs/dbraw/zinc/34/79/43/408347943.db2.gz AQUIAOSMNBEMLR-GXTWGEPZSA-N 0 3 321.352 1.972 20 5 DDBDHN O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000171450970 162218909 /nfs/dbraw/zinc/21/89/09/162218909.db2.gz GVJAFOQUFJNPBU-AWEZNQCLSA-N 0 3 303.362 1.834 20 5 DDBDHN CC[C@@H](CO)N1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183374841 408392456 /nfs/dbraw/zinc/39/24/56/408392456.db2.gz QPGUYHCGAAZSSA-HNNXBMFYSA-N 0 3 307.394 1.792 20 5 DDBDHN Cc1cc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000177170877 408542562 /nfs/dbraw/zinc/54/25/62/408542562.db2.gz KREAXUGTWZHSSU-MNOVXSKESA-N 0 3 318.377 1.840 20 5 DDBDHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000248683820 408614878 /nfs/dbraw/zinc/61/48/78/408614878.db2.gz XXCHNHFZLGYWLR-RYUDHWBXSA-N 0 3 321.381 1.510 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN(CCO)C2CCOCC2)c1 ZINC000275667034 408640412 /nfs/dbraw/zinc/64/04/12/408640412.db2.gz YTNNWDRPETTZRF-OAHLLOKOSA-N 0 3 310.350 1.102 20 5 DDBDHN CC[C@H]1CN(CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1O ZINC000270855089 408708620 /nfs/dbraw/zinc/70/86/20/408708620.db2.gz HGYXFZWRMWGFDJ-SMDDNHRTSA-N 0 3 310.350 1.685 20 5 DDBDHN COCCN1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000194976732 408807133 /nfs/dbraw/zinc/80/71/33/408807133.db2.gz XIKTWXSYQMSPDH-UHFFFAOYSA-N 0 3 322.365 1.827 20 5 DDBDHN CN(C)[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CCSC1 ZINC000276518263 408874037 /nfs/dbraw/zinc/87/40/37/408874037.db2.gz LXASYIPJUOGMRB-CQSZACIVSA-N 0 3 324.406 1.344 20 5 DDBDHN C[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])CN(C)C ZINC000291668026 408904151 /nfs/dbraw/zinc/90/41/51/408904151.db2.gz DEQLDYLEIAVSEN-JTQLQIEISA-N 0 3 315.395 1.608 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC[C@@H]1CCO ZINC000286172934 408935160 /nfs/dbraw/zinc/93/51/60/408935160.db2.gz OSUQJYPACXBHMV-IUODEOHRSA-N 0 3 321.377 1.982 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@](CO)(c3ccccc3)C2)n1 ZINC000291925581 408945868 /nfs/dbraw/zinc/94/58/68/408945868.db2.gz SNFSXELCUPSXFU-INIZCTEOSA-N 0 3 316.361 1.427 20 5 DDBDHN CC(C)(C)[C@H](CO)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000278787248 409087636 /nfs/dbraw/zinc/08/76/36/409087636.db2.gz NZABAPLGGFYZIP-AWEZNQCLSA-N 0 3 321.377 1.481 20 5 DDBDHN Cc1ccc(CN(C)CCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000289421946 409268532 /nfs/dbraw/zinc/26/85/32/409268532.db2.gz JFROFMJOLUGPEJ-UHFFFAOYSA-N 0 3 320.437 1.973 20 5 DDBDHN CNC(=O)[C@@]1(C)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000280721286 409426628 /nfs/dbraw/zinc/42/66/28/409426628.db2.gz IAYJDADTFAWPQV-HIFRSBDPSA-N 0 3 307.350 1.086 20 5 DDBDHN CN(CCOc1ccccc1[N+](=O)[O-])[C@H]1CCN2CCO[C@H]1C2 ZINC000295379974 409456806 /nfs/dbraw/zinc/45/68/06/409456806.db2.gz KJENQXSYSJNPIO-BBRMVZONSA-N 0 3 321.377 1.379 20 5 DDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000357033803 164136842 /nfs/dbraw/zinc/13/68/42/164136842.db2.gz GXSOQCXWDHFBCF-UHFFFAOYSA-N 0 3 321.381 1.419 20 5 DDBDHN CO[C@@]1(C)C[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000296290055 409493011 /nfs/dbraw/zinc/49/30/11/409493011.db2.gz PBBLIZJFFVNODM-BBRMVZONSA-N 0 3 321.377 1.987 20 5 DDBDHN COc1cccc(C(=O)NC2(CN(C)C)CCC2)c1[N+](=O)[O-] ZINC000341940328 409519267 /nfs/dbraw/zinc/51/92/67/409519267.db2.gz CWIMJEOPXIPTLZ-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN Cc1nc(N2CCN(C3CCOCC3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000296794498 409641833 /nfs/dbraw/zinc/64/18/33/409641833.db2.gz OLFJDDMFURQBLY-LLVKDONJSA-N 0 3 321.381 1.383 20 5 DDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H](O)C1 ZINC000304228583 409581143 /nfs/dbraw/zinc/58/11/43/409581143.db2.gz MLYBWZAXZBQJOR-GFCCVEGCSA-N 0 3 321.333 1.350 20 5 DDBDHN O=C(NCCNc1ccncc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000338073131 409694769 /nfs/dbraw/zinc/69/47/69/409694769.db2.gz MRYRONMMMLCPTD-UHFFFAOYSA-N 0 3 320.736 1.907 20 5 DDBDHN COC(=O)[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000346609482 410035522 /nfs/dbraw/zinc/03/55/22/410035522.db2.gz CZPGRZWINQMHCX-FZMZJTMJSA-N 0 3 308.334 1.857 20 5 DDBDHN C[C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)N(C)C ZINC000579923206 422854727 /nfs/dbraw/zinc/85/47/27/422854727.db2.gz DJOCAVRBFBHORP-NSHDSACASA-N 0 3 306.366 1.613 20 5 DDBDHN Cn1c(C(=O)NCCN2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000347411460 410531208 /nfs/dbraw/zinc/53/12/08/410531208.db2.gz ANPGINCNBZQOMU-UHFFFAOYSA-N 0 3 308.382 1.785 20 5 DDBDHN COc1ccc(CNC(=O)NC[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000299251543 410582283 /nfs/dbraw/zinc/58/22/83/410582283.db2.gz PJETXVMGTSHDGU-LBPRGKRZSA-N 0 3 322.365 1.497 20 5 DDBDHN O=[N+]([O-])c1cccnc1N1CCC[C@H]1CN1CCC[C@@H]1CO ZINC000301530276 410739013 /nfs/dbraw/zinc/73/90/13/410739013.db2.gz KWBFAPNDMVVBMY-QWHCGFSZSA-N 0 3 306.366 1.415 20 5 DDBDHN O=[N+]([O-])c1cccnc1N1CCC[C@@H]1CN1CCC[C@@H]1CO ZINC000301530274 410739548 /nfs/dbraw/zinc/73/95/48/410739548.db2.gz KWBFAPNDMVVBMY-CHWSQXEVSA-N 0 3 306.366 1.415 20 5 DDBDHN CCc1ccc([C@@H](CO)NCCn2ccc([N+](=O)[O-])n2)cc1 ZINC000359624379 410778128 /nfs/dbraw/zinc/77/81/28/410778128.db2.gz IDSKHGQFNZCURW-CQSZACIVSA-N 0 3 304.350 1.677 20 5 DDBDHN COc1ccc(CNC(=O)N2C[C@@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000417199857 225241806 /nfs/dbraw/zinc/24/18/06/225241806.db2.gz ZGJWATASVFFTFV-MNOVXSKESA-N 0 3 322.365 1.495 20 5 DDBDHN C[C@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000417232756 225257129 /nfs/dbraw/zinc/25/71/29/225257129.db2.gz MYEJLZCSGUBXTR-RYUDHWBXSA-N 0 3 306.366 1.529 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](O)CN1CCCCC1 ZINC000360953385 418553224 /nfs/dbraw/zinc/55/32/24/418553224.db2.gz KQEHPHXOBGWRMK-LBPRGKRZSA-N 0 3 311.386 1.378 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2noc([N-]CC[NH+]3CCCC3)n2)cc1 ZINC000359494130 418656026 /nfs/dbraw/zinc/65/60/26/418656026.db2.gz FHLIGAZHQDLMDV-UHFFFAOYSA-N 0 3 303.322 2.153 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2noc(NCCN3CCCC3)n2)cc1 ZINC000359494130 418656029 /nfs/dbraw/zinc/65/60/29/418656029.db2.gz FHLIGAZHQDLMDV-UHFFFAOYSA-N 0 3 303.322 2.153 20 5 DDBDHN CC[C@@](C)(NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000411387244 418898646 /nfs/dbraw/zinc/89/86/46/418898646.db2.gz JMKTYCZWEFBMAM-CQSZACIVSA-N 0 3 308.338 1.167 20 5 DDBDHN CCN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000411724179 419391437 /nfs/dbraw/zinc/39/14/37/419391437.db2.gz YMFTWGOZDKSRLO-ZDUSSCGKSA-N 0 3 320.393 1.949 20 5 DDBDHN C[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000417937371 419401302 /nfs/dbraw/zinc/40/13/02/419401302.db2.gz IMAAQKVEFFHHDT-VXGBXAGGSA-N 0 3 306.366 1.529 20 5 DDBDHN C[C@@H]1C[C@@H](CO)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000420929418 419362574 /nfs/dbraw/zinc/36/25/74/419362574.db2.gz BJNRJJAFFNBGPT-MGPQQGTHSA-N 0 3 324.377 1.285 20 5 DDBDHN C[C@H](CN1CCCCC1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000299320901 229049097 /nfs/dbraw/zinc/04/90/97/229049097.db2.gz XLTZKVIABYZVQC-GFCCVEGCSA-N 0 3 309.370 1.172 20 5 DDBDHN Cc1cc(NC[C@H]2CCCC(=O)N2)c2cc([N+](=O)[O-])ccc2n1 ZINC000432935490 229138799 /nfs/dbraw/zinc/13/87/99/229138799.db2.gz DNJVJOZBQUBLCH-LLVKDONJSA-N 0 3 314.345 1.954 20 5 DDBDHN COC[C@](C)(CC(=O)OC)NCCc1ccc([N+](=O)[O-])cc1 ZINC000428769657 419930656 /nfs/dbraw/zinc/93/06/56/419930656.db2.gz QTDKTVDUGCYEAQ-HNNXBMFYSA-N 0 3 310.350 1.695 20 5 DDBDHN Cc1ccc(NC(=O)C(=O)N[C@H](CN)CC(C)C)cc1[N+](=O)[O-] ZINC000415421623 420057695 /nfs/dbraw/zinc/05/76/95/420057695.db2.gz CVMAPTDXQMBNKA-LBPRGKRZSA-N 0 3 322.365 1.331 20 5 DDBDHN Cc1c(NC(=O)C(=O)N[C@@H](CN)CC(C)C)cccc1[N+](=O)[O-] ZINC000415428092 420061844 /nfs/dbraw/zinc/06/18/44/420061844.db2.gz OHEXYTZXHCWFQC-LLVKDONJSA-N 0 3 322.365 1.331 20 5 DDBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)N2 ZINC000420345277 420224644 /nfs/dbraw/zinc/22/46/44/420224644.db2.gz AJRMZDUZGLXQAL-RWMBFGLXSA-N 0 3 318.377 1.748 20 5 DDBDHN CCc1ccccc1[C@@H](N)CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000423981633 420290059 /nfs/dbraw/zinc/29/00/59/420290059.db2.gz QWMMMKOIUWPNQG-ZDUSSCGKSA-N 0 3 316.361 1.926 20 5 DDBDHN CN(C)C1(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000416304036 420321444 /nfs/dbraw/zinc/32/14/44/420321444.db2.gz SPCMFEKDTBJOFR-UHFFFAOYSA-N 0 3 316.361 1.760 20 5 DDBDHN O=C(NC[C@H]1CNCCO1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000423989630 420292768 /nfs/dbraw/zinc/29/27/68/420292768.db2.gz ISGMZHKZORUUST-LLVKDONJSA-N 0 3 305.290 1.059 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420454703 420298052 /nfs/dbraw/zinc/29/80/52/420298052.db2.gz WOLPCOCQUGDIJG-WDEREUQCSA-N 0 3 313.379 1.309 20 5 DDBDHN Cc1cc(C)cc(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000444699050 230124146 /nfs/dbraw/zinc/12/41/46/230124146.db2.gz DQLPWOKCBDDLBB-INIZCTEOSA-N 0 3 318.377 1.901 20 5 DDBDHN CC(C)N1CC[C@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000457122580 420621648 /nfs/dbraw/zinc/62/16/48/420621648.db2.gz OUONMQHGLMTUHE-ZDUSSCGKSA-N 0 3 320.393 1.948 20 5 DDBDHN CC(C)N1CC[C@@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000457137205 420627474 /nfs/dbraw/zinc/62/74/74/420627474.db2.gz XDRRAHPYLJUSIY-GFCCVEGCSA-N 0 3 309.370 1.123 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCC[C@@]1(C)CO ZINC000493390960 420836433 /nfs/dbraw/zinc/83/64/33/420836433.db2.gz VMZLMBQUUONHEZ-HOCLYGCPSA-N 0 3 321.377 1.982 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000490049844 421186910 /nfs/dbraw/zinc/18/69/10/421186910.db2.gz XAFAAJKEBLYOTO-LLVKDONJSA-N 0 3 315.395 1.379 20 5 DDBDHN C[C@@H]1CCN(CCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000525804609 421302545 /nfs/dbraw/zinc/30/25/45/421302545.db2.gz FHHOMFUTJUKDLI-CYBMUJFWSA-N 0 3 320.393 1.489 20 5 DDBDHN Cc1cccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)c1[N+](=O)[O-] ZINC000560508759 421277102 /nfs/dbraw/zinc/27/71/02/421277102.db2.gz WDXVUVDYWIXAHA-MRXNPFEDSA-N 0 3 319.361 1.090 20 5 DDBDHN CC(COC(=O)CN(CC1CC1)C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496606983 421281641 /nfs/dbraw/zinc/28/16/41/421281641.db2.gz UMNSOWQGPMHLSF-JTQLQIEISA-N 0 3 316.354 1.842 20 5 DDBDHN CCC[C@H](C)[C@H](CO)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000516574131 421554440 /nfs/dbraw/zinc/55/44/40/421554440.db2.gz KYURRRGZMIQAIW-AAEUAGOBSA-N 0 3 309.366 1.920 20 5 DDBDHN CNc1ccc(C(=O)NC[C@](C)(O)CCN(C)C)cc1[N+](=O)[O-] ZINC000574624718 422144723 /nfs/dbraw/zinc/14/47/23/422144723.db2.gz VKUGALODXZBSGZ-OAHLLOKOSA-N 0 3 324.381 1.069 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](N)c2ccccc2)n1 ZINC000574517054 422123475 /nfs/dbraw/zinc/12/34/75/422123475.db2.gz OIIGSNRXYZGXMV-NSHDSACASA-N 0 3 303.322 1.241 20 5 DDBDHN CC[C@H](NC)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000595923665 422359796 /nfs/dbraw/zinc/35/97/96/422359796.db2.gz AVVUGESRDFXIHY-NSHDSACASA-N 0 3 303.322 1.921 20 5 DDBDHN CNC(=O)CCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000578374866 422559248 /nfs/dbraw/zinc/55/92/48/422559248.db2.gz TWXMPSKXVFDHAW-NSHDSACASA-N 0 3 307.354 1.002 20 5 DDBDHN CCCN(CCN1CCCC1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000343246627 271698877 /nfs/dbraw/zinc/69/88/77/271698877.db2.gz FINXRCJCAIQEHB-UHFFFAOYSA-N 0 3 318.381 1.950 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(CC3CCCC3)C2)n1 ZINC000345300447 272213158 /nfs/dbraw/zinc/21/31/58/272213158.db2.gz KAGSXLZTEIJZJU-GFCCVEGCSA-N 0 3 321.381 1.323 20 5 DDBDHN CCOC(=O)c1ccnc(N2CCCN(CC)CC2)c1[N+](=O)[O-] ZINC000150836874 276300601 /nfs/dbraw/zinc/30/06/01/276300601.db2.gz HKJFEIQSCTVFKB-UHFFFAOYSA-N 0 3 322.365 1.699 20 5 DDBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000363904171 300323806 /nfs/dbraw/zinc/32/38/06/300323806.db2.gz LBUQBWLFSCICAU-MFKMUULPSA-N 0 3 319.365 1.128 20 5 DDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000370465582 301344671 /nfs/dbraw/zinc/34/46/71/301344671.db2.gz TWVADDFRNRVSHC-VXGBXAGGSA-N 0 3 323.324 1.327 20 5 DDBDHN C[C@H](CN[C@@H](C)CCc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000537940347 303381367 /nfs/dbraw/zinc/38/13/67/303381367.db2.gz FTRDFASDVJBZJN-NWDGAFQWSA-N 0 3 314.407 1.939 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC([C@@H]3CCOC3)C2)c1 ZINC000373641290 307193522 /nfs/dbraw/zinc/19/35/22/307193522.db2.gz SAPXWOUKISEMND-DOMZBBRYSA-N 0 3 322.361 1.303 20 5 DDBDHN COC(=O)N1CC(N[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000496075708 307325203 /nfs/dbraw/zinc/32/52/03/307325203.db2.gz HWBHWEQLOOFITM-NEPJUHHUSA-N 0 3 323.353 1.315 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(CC3(O)CCCC3)CC2)cn1 ZINC000533463971 307639053 /nfs/dbraw/zinc/63/90/53/307639053.db2.gz UEGSOHSXDRUSPH-UHFFFAOYSA-N 0 3 306.366 1.417 20 5 DDBDHN CCc1ccc(S(=O)(=O)N[C@@H]2CCCNC2)cc1[N+](=O)[O-] ZINC000569103400 308133239 /nfs/dbraw/zinc/13/32/39/308133239.db2.gz GIBWZSIUCUPUGW-LLVKDONJSA-N 0 3 313.379 1.188 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](c3ccncc3)C2)c1 ZINC000570118845 308159638 /nfs/dbraw/zinc/15/96/38/308159638.db2.gz YWHNPMKLKOUCEF-UKRRQHHQSA-N 0 3 317.349 1.037 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(C3CC3)C2)n1 ZINC000576762989 308338242 /nfs/dbraw/zinc/33/82/42/308338242.db2.gz KBQAZJFDCIZIRV-JTQLQIEISA-N 0 3 307.354 1.025 20 5 DDBDHN C[C@@H](CN1CCOCC1)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577529765 308396489 /nfs/dbraw/zinc/39/64/89/308396489.db2.gz YZOQZTFUZDCTPP-SWLSCSKDSA-N 0 3 305.378 1.892 20 5 DDBDHN COc1cc(C[NH2+][C@@H]2CCn3ccnc3C2)c([N+](=O)[O-])cc1[O-] ZINC000494413620 533899009 /nfs/dbraw/zinc/89/90/09/533899009.db2.gz NKQJGFWZCAICSE-LLVKDONJSA-N 0 3 318.333 1.610 20 5 DDBDHN COc1ccc(NC(=O)CCN(C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000299331996 534063653 /nfs/dbraw/zinc/06/36/53/534063653.db2.gz PWGGKHMRUMNOGT-LLVKDONJSA-N 0 3 323.349 1.653 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCO[C@H]1C1CC1 ZINC000494453920 534339828 /nfs/dbraw/zinc/33/98/28/534339828.db2.gz KQVMHUHWKKSXTN-BBRMVZONSA-N 0 3 319.361 1.999 20 5 DDBDHN CC1(C)OCC[C@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451245530 527812483 /nfs/dbraw/zinc/81/24/83/527812483.db2.gz UCAXHKIRZGWGJN-UONOGXRCSA-N 0 3 319.361 1.857 20 5 DDBDHN CC(C)CN(CCn1ccc([N+](=O)[O-])n1)Cc1cnn(C)c1 ZINC000459587287 527944145 /nfs/dbraw/zinc/94/41/45/527944145.db2.gz FXEAPCVAMLARHH-UHFFFAOYSA-N 0 3 306.370 1.683 20 5 DDBDHN CC(C)N1CC[C@@H](N(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000457141265 529060462 /nfs/dbraw/zinc/06/04/62/529060462.db2.gz ZAOWVKSSWITJQI-GFCCVEGCSA-N 0 3 323.397 1.468 20 5 DDBDHN C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736854502 598503944 /nfs/dbraw/zinc/50/39/44/598503944.db2.gz CYZJMABRABLCLL-SNVBAGLBSA-N 0 3 317.353 1.529 20 5 DDBDHN C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736854502 598503946 /nfs/dbraw/zinc/50/39/46/598503946.db2.gz CYZJMABRABLCLL-SNVBAGLBSA-N 0 3 317.353 1.529 20 5 DDBDHN C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736854502 598503947 /nfs/dbraw/zinc/50/39/47/598503947.db2.gz CYZJMABRABLCLL-SNVBAGLBSA-N 0 3 317.353 1.529 20 5 DDBDHN C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736854502 598503950 /nfs/dbraw/zinc/50/39/50/598503950.db2.gz CYZJMABRABLCLL-SNVBAGLBSA-N 0 3 317.353 1.529 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000072501209 696394021 /nfs/dbraw/zinc/39/40/21/696394021.db2.gz FCFGLPDCEZTAIE-CYBMUJFWSA-N 0 3 320.393 1.875 20 5 DDBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(Cc2cccc(F)c2)CC1 ZINC000981136870 697015364 /nfs/dbraw/zinc/01/53/64/697015364.db2.gz JNXRZONNVGTVPX-HUUCEWRRSA-N 0 3 321.352 1.525 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](c3ccccn3)C2)c1 ZINC000799191555 700127436 /nfs/dbraw/zinc/12/74/36/700127436.db2.gz NAELIFJNSVYBRE-JSGCOSHPSA-N 0 3 317.349 1.037 20 5 DDBDHN CNC(=O)C1(NCCOc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000733999543 699631619 /nfs/dbraw/zinc/63/16/19/699631619.db2.gz PWKTXPKTHISZCZ-UHFFFAOYSA-N 0 3 307.350 1.622 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCC[C@@H]2C)c1 ZINC000742242478 699869934 /nfs/dbraw/zinc/86/99/34/699869934.db2.gz WDQZKQIIZDCWIT-NSHDSACASA-N 0 3 307.350 1.818 20 5 DDBDHN CC1(C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)OCCO1 ZINC000760900783 700828458 /nfs/dbraw/zinc/82/84/58/700828458.db2.gz YBXPEXZTFJRCFK-UHFFFAOYSA-N 0 3 310.354 1.266 20 5 DDBDHN O=C(CN[C@@H](CO)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000763069419 700924060 /nfs/dbraw/zinc/92/40/60/700924060.db2.gz OPFJADFVXNJETL-LBPRGKRZSA-N 0 3 313.741 1.547 20 5 DDBDHN O=C(CN[C@H](CO)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000771812085 701332313 /nfs/dbraw/zinc/33/23/13/701332313.db2.gz HHEPDTTVORDCGR-LLVKDONJSA-N 0 3 313.741 1.547 20 5 DDBDHN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000839659367 701768688 /nfs/dbraw/zinc/76/86/88/701768688.db2.gz ZIFCQGGHIRGCCM-HUUCEWRRSA-N 0 3 317.389 1.775 20 5 DDBDHN CN1CCN(C2CCN(c3cccnc3[N+](=O)[O-])CC2)CC1 ZINC000866213103 706650747 /nfs/dbraw/zinc/65/07/47/706650747.db2.gz ZDAHHHWMQDVCIT-UHFFFAOYSA-N 0 3 305.382 1.206 20 5 DDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1ccc(C)cc1 ZINC000813102262 702290850 /nfs/dbraw/zinc/29/08/50/702290850.db2.gz CVXJRBAKQCCBGU-JTQLQIEISA-N 0 3 304.306 1.706 20 5 DDBDHN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813106585 702293887 /nfs/dbraw/zinc/29/38/87/702293887.db2.gz FLUZKWBYJRYVSZ-ZETCQYMHSA-N 0 3 322.321 1.042 20 5 DDBDHN CC(COC(=O)CCCc1nc2ccccc2c(=O)[nH]1)[N+](=O)[O-] ZINC000813106916 702294139 /nfs/dbraw/zinc/29/41/39/702294139.db2.gz JJXRHBGQHVCFLP-SNVBAGLBSA-N 0 3 319.317 1.867 20 5 DDBDHN CC(COC(=O)CSc1nnnn1C1CCCC1)[N+](=O)[O-] ZINC000813109403 702295169 /nfs/dbraw/zinc/29/51/69/702295169.db2.gz JSYQMZNRWGKGLH-QMMMGPOBSA-N 0 3 315.355 1.089 20 5 DDBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)[N+](=O)[O-] ZINC000813108261 702295340 /nfs/dbraw/zinc/29/53/40/702295340.db2.gz CLZRXRCYOCVUQG-NXEZZACHSA-N 0 3 310.281 1.387 20 5 DDBDHN CC(COC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2)[N+](=O)[O-] ZINC000813110465 702296342 /nfs/dbraw/zinc/29/63/42/702296342.db2.gz BETXICVCRNXOEB-USWWRNFRSA-N 0 3 307.302 1.770 20 5 DDBDHN COc1ccc(C(=O)NCCCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111358 702297041 /nfs/dbraw/zinc/29/70/41/702297041.db2.gz RXEALBRAJAMABA-LLVKDONJSA-N 0 3 324.333 1.414 20 5 DDBDHN CC(COC(=O)CCn1cnc2sccc2c1=O)[N+](=O)[O-] ZINC000813110788 702297442 /nfs/dbraw/zinc/29/74/42/702297442.db2.gz JKUCVXCNWDRXPW-MRVPVSSYSA-N 0 3 311.319 1.057 20 5 DDBDHN Cc1cc(F)cc(-n2cc(C(=O)OCC(C)[N+](=O)[O-])nn2)c1 ZINC000813111229 702297484 /nfs/dbraw/zinc/29/74/84/702297484.db2.gz DIHKNSVKSJHNJC-VIFPVBQESA-N 0 3 308.269 1.537 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](CO)[C@H]2CO)cc1 ZINC000879362268 706661348 /nfs/dbraw/zinc/66/13/48/706661348.db2.gz SRSHOBKTQVPKQU-SWLSCSKDSA-N 0 3 310.350 1.039 20 5 DDBDHN CN(C[C@@H]1CCCN1C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000817679648 702449047 /nfs/dbraw/zinc/44/90/47/702449047.db2.gz VENUOKWZJGOQBL-UONOGXRCSA-N 0 3 307.350 1.181 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2noc(C[C@@H]3CSCCN3)n2)s1 ZINC000843218893 702844074 /nfs/dbraw/zinc/84/40/74/702844074.db2.gz JGBYCBAASNQBHL-SSDOTTSWSA-N 0 3 312.376 1.954 20 5 DDBDHN CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](Cc2ccccc2)C1 ZINC000844922707 703085664 /nfs/dbraw/zinc/08/56/64/703085664.db2.gz CVKYODBXSASHGF-RRFJBIMHSA-N 0 3 303.362 1.037 20 5 DDBDHN C[C@H](C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000848580631 703565171 /nfs/dbraw/zinc/56/51/71/703565171.db2.gz CBRQNIIDNCJIKW-SECBINFHSA-N 0 3 317.292 1.633 20 5 DDBDHN Cc1cc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c(N)c([N+](=O)[O-])c1 ZINC000819719284 704164470 /nfs/dbraw/zinc/16/44/70/704164470.db2.gz RHVHFRTZZHTNFB-SMDDNHRTSA-N 0 3 318.377 1.652 20 5 DDBDHN CN1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1(C)C ZINC000871157340 704233963 /nfs/dbraw/zinc/23/39/63/704233963.db2.gz LTKPCXCQNAHSMK-CQSZACIVSA-N 0 3 321.377 1.571 20 5 DDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cccc([N+](=O)[O-])c1N ZINC000874836916 705193675 /nfs/dbraw/zinc/19/36/75/705193675.db2.gz IDKKXSPBGAGTDT-RYUDHWBXSA-N 0 3 304.350 1.486 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874839961 705196085 /nfs/dbraw/zinc/19/60/85/705196085.db2.gz YOHLHBPDTOZNQS-QWRGUYRKSA-N 0 3 321.381 1.750 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874839961 705196087 /nfs/dbraw/zinc/19/60/87/705196087.db2.gz YOHLHBPDTOZNQS-QWRGUYRKSA-N 0 3 321.381 1.750 20 5 DDBDHN C[C@H]1CCCCN1CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825099415 705599504 /nfs/dbraw/zinc/59/95/04/705599504.db2.gz ZCLTXVLJADWJHE-WFASDCNBSA-N 0 3 321.377 1.619 20 5 DDBDHN COC[C@@H](C)OC[C@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000872249514 707348956 /nfs/dbraw/zinc/34/89/56/707348956.db2.gz WKHUCHBOKGRWHE-JHJVBQTASA-N 0 3 312.366 1.658 20 5 DDBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1[N+](=O)[O-] ZINC000896851427 708164732 /nfs/dbraw/zinc/16/47/32/708164732.db2.gz UPXAFWTVJCOGJX-UHTWSYAYSA-N 0 3 320.345 1.990 20 5 DDBDHN COc1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@H]1CCCN2CCO ZINC000897219485 708257159 /nfs/dbraw/zinc/25/71/59/708257159.db2.gz LDJGUJPJMUMFSS-QWHCGFSZSA-N 0 3 321.377 1.639 20 5 DDBDHN CN(CCO)CCN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000912606065 713045751 /nfs/dbraw/zinc/04/57/51/713045751.db2.gz JDXGQSGNERELRN-UHFFFAOYSA-N 0 3 315.757 1.244 20 5 DDBDHN O=C1C[C@@H]([C@H]2CCCCN2Cc2cccnc2[N+](=O)[O-])CN1 ZINC000886098676 708698060 /nfs/dbraw/zinc/69/80/60/708698060.db2.gz PKHFKEMSRIYGQE-CHWSQXEVSA-N 0 3 304.350 1.480 20 5 DDBDHN CN(CCO)CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000912610451 713048846 /nfs/dbraw/zinc/04/88/46/713048846.db2.gz QNGUVNPQXYDXNS-UHFFFAOYSA-N 0 3 315.757 1.244 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@]3(CO)CCC[C@@H]23)c1 ZINC000886631176 708799018 /nfs/dbraw/zinc/79/90/18/708799018.db2.gz FWGGFDQSAGZJHH-ARFHVFGLSA-N 0 3 306.362 1.865 20 5 DDBDHN CC1(C)C[C@H](NCCN2CCNC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000886744649 708833178 /nfs/dbraw/zinc/83/31/78/708833178.db2.gz COFKMUHNDCSVOR-AWEZNQCLSA-N 0 3 318.377 1.932 20 5 DDBDHN CN(C)C[C@@H]1NC(=O)N(c2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000899304769 709051641 /nfs/dbraw/zinc/05/16/41/709051641.db2.gz DJSFOPRVRNAOSP-VIFPVBQESA-N 0 3 312.713 1.235 20 5 DDBDHN Cc1ccc(CNC(=O)N2C[C@@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000892536844 710454173 /nfs/dbraw/zinc/45/41/73/710454173.db2.gz KYVIOIKRKDIZJU-NEPJUHHUSA-N 0 3 306.366 1.795 20 5 DDBDHN COc1ccc(CC(=O)N[C@@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928451245 713202586 /nfs/dbraw/zinc/20/25/86/713202586.db2.gz VIRSIIPMANSJNQ-CMPLNLGQSA-N 0 3 307.350 1.355 20 5 DDBDHN CNC(=O)c1ccc(N2[C@@H]3CC[C@H]2CN(C)CC3)c([N+](=O)[O-])c1 ZINC000895192662 711449543 /nfs/dbraw/zinc/44/95/43/711449543.db2.gz KCCFQFAFPUVSII-OLZOCXBDSA-N 0 3 318.377 1.627 20 5 DDBDHN C[C@H]1[C@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CCN1C ZINC000895735270 711590200 /nfs/dbraw/zinc/59/02/00/711590200.db2.gz CBRDJOPBCDHFMI-NKWVEPMBSA-N 0 3 307.276 1.852 20 5 DDBDHN Cc1ccc(CN[C@@H](C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000895832353 711619981 /nfs/dbraw/zinc/61/99/81/711619981.db2.gz GFCAZYUHWCIHIK-AAEUAGOBSA-N 0 3 312.391 1.816 20 5 DDBDHN C[NH+](C)CCO[N-]C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000908528483 712798594 /nfs/dbraw/zinc/79/85/94/712798594.db2.gz SKTSGTNSUOCZGS-UHFFFAOYSA-N 0 3 315.757 1.790 20 5 DDBDHN C[C@@H](O)[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000929750667 713682340 /nfs/dbraw/zinc/68/23/40/713682340.db2.gz WKNZCSMRERTLMF-ABAIWWIYSA-N 0 3 310.350 1.180 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000931609185 714138033 /nfs/dbraw/zinc/13/80/33/714138033.db2.gz DDQFAIYHSHJTTG-RNCFNFMXSA-N 0 3 308.313 1.902 20 5 DDBDHN COc1ccc(CN[C@H]2C[C@@H](O)C23CCOCC3)cc1[N+](=O)[O-] ZINC000923022274 714216389 /nfs/dbraw/zinc/21/63/89/714216389.db2.gz YKWVUXIMDXIEHQ-LSDHHAIUSA-N 0 3 322.361 1.623 20 5 DDBDHN CC[C@H]1CN(C)CCCN1C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000935779422 715128001 /nfs/dbraw/zinc/12/80/01/715128001.db2.gz YISRWQHOACKXLS-LBPRGKRZSA-N 0 3 309.370 1.042 20 5 DDBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1cnon1 ZINC001022871507 734844309 /nfs/dbraw/zinc/84/43/09/734844309.db2.gz XANHKRFZPGFTDU-PHIMTYICSA-N 0 3 317.305 1.028 20 5 DDBDHN O=C(Cc1ccoc1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126131471 738365918 /nfs/dbraw/zinc/36/59/18/738365918.db2.gz XSGHWLKYXQFGBZ-UHFFFAOYSA-N 0 3 303.318 1.636 20 5 DDBDHN O=[N+]([O-])c1cccc(CNC[C@H]2COC3(CCOCC3)O2)c1 ZINC001201676331 748566084 /nfs/dbraw/zinc/56/60/84/748566084.db2.gz OLEPLZOYFUICNB-AWEZNQCLSA-N 0 3 308.334 1.607 20 5 DDBDHN CCN(CC)CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cn1 ZINC001107205223 749588927 /nfs/dbraw/zinc/58/89/27/749588927.db2.gz YDDKHGNCIAODAE-WAYWQWQTSA-N 0 3 321.381 1.416 20 5 DDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2cc(Br)no2)C1 ZINC001168968349 762158202 /nfs/dbraw/zinc/15/82/02/762158202.db2.gz XXMMJJLCUPAXQR-HTQZYQBOSA-N 0 3 304.144 1.972 20 5 DDBDHN COc1cccnc1N1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169040191 762194820 /nfs/dbraw/zinc/19/48/20/762194820.db2.gz YPIAALPEGWSNQR-KGLIPLIRSA-N 0 3 320.393 1.658 20 5 DDBDHN CCOC(=O)[C@@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCS1 ZINC001169046744 762204179 /nfs/dbraw/zinc/20/41/79/762204179.db2.gz MKCKNRQCOBDCHI-TUAOUCFPSA-N 0 3 302.396 1.412 20 5 DDBDHN COc1ccc(C[C@H](C)NCC(=O)N2CCCC2)c([N+](=O)[O-])c1 ZINC001170297927 766227657 /nfs/dbraw/zinc/22/76/57/766227657.db2.gz VXNBQYAVUSWYLZ-LBPRGKRZSA-N 0 3 321.377 1.746 20 5 DDBDHN CC(C)N(C)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097037499 771590820 /nfs/dbraw/zinc/59/08/20/771590820.db2.gz NEMHZIQMNPQIOV-HDJSIYSDSA-N 0 3 320.393 1.994 20 5 DDBDHN C[C@@H](Nc1nc(Cl)nc(Cl)c1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001159497501 771613515 /nfs/dbraw/zinc/61/35/15/771613515.db2.gz OGVXAESJROISKU-RITPCOANSA-N 0 3 322.152 1.480 20 5 DDBDHN CCN(CC)CC(=O)NCCNc1ncc([N+](=O)[O-])cc1C ZINC001093646565 774946151 /nfs/dbraw/zinc/94/61/51/774946151.db2.gz GCQBLMLIZVAFHN-UHFFFAOYSA-N 0 3 309.370 1.168 20 5 DDBDHN CCCN(C)CC(=O)NCCNc1nccc(C)c1[N+](=O)[O-] ZINC001093787412 775078510 /nfs/dbraw/zinc/07/85/10/775078510.db2.gz BXNDLDPLUKOPEI-UHFFFAOYSA-N 0 3 309.370 1.168 20 5 DDBDHN CCN(C)C(C)(C)C(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001100203914 775817074 /nfs/dbraw/zinc/81/70/74/775817074.db2.gz LWYPQXKFPMRINM-UHFFFAOYSA-N 0 3 322.409 1.878 20 5 DDBDHN Cc1nc(NCCN(C)C(=O)CN(C)C(C)C)ccc1[N+](=O)[O-] ZINC001101657942 777354860 /nfs/dbraw/zinc/35/48/60/777354860.db2.gz ZGIPLIWLYJAKLQ-UHFFFAOYSA-N 0 3 323.397 1.509 20 5 DDBDHN CN(C)C1(C(=O)N(C)CCNc2ccccc2[N+](=O)[O-])CCC1 ZINC001101810903 777549610 /nfs/dbraw/zinc/54/96/10/777549610.db2.gz AWSHRECUXNFWBT-UHFFFAOYSA-N 0 3 320.393 1.949 20 5 DDBDHN COC(=O)CCNC(=O)CCNCc1cccc([N+](=O)[O-])c1C ZINC001179328027 779350241 /nfs/dbraw/zinc/35/02/41/779350241.db2.gz IVQMUWRUBMQEBK-UHFFFAOYSA-N 0 3 323.349 1.062 20 5 DDBDHN Cc1nccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)n1 ZINC001151306499 862722653 /nfs/dbraw/zinc/72/26/53/862722653.db2.gz JGZDNPKLOWAULT-UHFFFAOYSA-N 0 3 315.333 1.213 20 5 DDBDHN CCN1CCCN(c2ncc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC001163771262 868691122 /nfs/dbraw/zinc/69/11/22/868691122.db2.gz JMPCAWIJJPWXIL-UHFFFAOYSA-N 0 3 308.338 1.308 20 5 DDBDHN CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCN(C2CCCC2)CC1 ZINC001339342099 870452485 /nfs/dbraw/zinc/45/24/85/870452485.db2.gz WQXHEVRKXLRZBZ-LBPRGKRZSA-N 0 3 322.413 1.700 20 5 DDBDHN CNc1ccc(C(=O)N2[C@H](C)CN[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC001341769586 871817633 /nfs/dbraw/zinc/81/76/33/871817633.db2.gz ZVXBVUKNMQYLBK-OUAUKWLOSA-N 0 3 306.366 1.847 20 5 DDBDHN COc1ccc(CC(=O)NC[C@@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC001353895728 877636372 /nfs/dbraw/zinc/63/63/72/877636372.db2.gz WHGZUBQHMLMDGQ-ZDUSSCGKSA-N 0 3 321.377 1.746 20 5 DDBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)COC2CCOCC2)cc1 ZINC001356535889 879090344 /nfs/dbraw/zinc/09/03/44/879090344.db2.gz XOWWIYPLXWYYAU-CQSZACIVSA-N 0 3 310.350 1.241 20 5 DDBDHN CN1CC2(C1)CN(C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001254483372 896456660 /nfs/dbraw/zinc/45/66/60/896456660.db2.gz RURZWRUSPMKNPL-UHFFFAOYSA-N 0 3 316.405 1.811 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@](C)(CO)[C@@H](O)C1 ZINC001254553296 896499583 /nfs/dbraw/zinc/49/95/83/896499583.db2.gz UQIKMOKMRJMVPR-UHOFOFEASA-N 0 3 308.378 1.591 20 5 DDBDHN CN1CC[C@@](O)(CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000358335166 299124672 /nfs/dbraw/zinc/12/46/72/299124672.db2.gz ZBKFUNWRLTUXAF-OAHLLOKOSA-N 0 3 302.334 1.622 20 5 DDBDHN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000272659564 210064130 /nfs/dbraw/zinc/06/41/30/210064130.db2.gz BRSGBXCBIVDJNX-GFCCVEGCSA-N 0 3 319.361 1.740 20 5 DDBDHN CN(CCNC(=O)c1[nH]ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000138213331 186014770 /nfs/dbraw/zinc/01/47/70/186014770.db2.gz GRKCEKGCDHCYJO-UHFFFAOYSA-N 0 3 303.322 1.180 20 5 DDBDHN CN(CCNC(=O)c1n[nH]cc1[N+](=O)[O-])Cc1ccccc1 ZINC000138213331 186014772 /nfs/dbraw/zinc/01/47/72/186014772.db2.gz GRKCEKGCDHCYJO-UHFFFAOYSA-N 0 3 303.322 1.180 20 5 DDBDHN Nc1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000014528273 352150502 /nfs/dbraw/zinc/15/05/02/352150502.db2.gz LEISBYIQMYFWOP-UHFFFAOYSA-N 0 3 304.350 1.534 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000073900367 353277463 /nfs/dbraw/zinc/27/74/63/353277463.db2.gz ZKTKQJIKKXSIKF-CQSZACIVSA-N 0 3 306.366 1.878 20 5 DDBDHN CC(C)[C@H](N)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000182101686 199386853 /nfs/dbraw/zinc/38/68/53/199386853.db2.gz XFUZCBHTHLWSFW-ZDUSSCGKSA-N 0 3 303.322 1.907 20 5 DDBDHN CCOC[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174246775 198309896 /nfs/dbraw/zinc/30/98/96/198309896.db2.gz YOLKGONFMLIBIO-AWEZNQCLSA-N 0 3 324.377 1.835 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1CN(C)C ZINC000277075748 213277073 /nfs/dbraw/zinc/27/70/73/213277073.db2.gz KBQAEQJZXXIINV-GFCCVEGCSA-N 0 3 307.350 1.770 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000139418043 354127526 /nfs/dbraw/zinc/12/75/26/354127526.db2.gz LAYWJMZDPGZJQN-AWEZNQCLSA-N 0 3 321.381 1.400 20 5 DDBDHN COCC1(O)CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000270330469 354408147 /nfs/dbraw/zinc/40/81/47/354408147.db2.gz BRFULAKCAWERES-UHFFFAOYSA-N 0 3 324.377 1.837 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc([N+](=O)[O-])c1 ZINC000588860629 354943693 /nfs/dbraw/zinc/94/36/93/354943693.db2.gz KIAFLSQLMLJQHT-DZGCQCFKSA-N 0 3 319.361 1.184 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000590446390 355099634 /nfs/dbraw/zinc/09/96/34/355099634.db2.gz TVSMNOSSPTXYPE-NOZJJQNGSA-N 0 3 315.333 1.247 20 5 DDBDHN CN1CC[C@@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@@H]21 ZINC000590720105 355155515 /nfs/dbraw/zinc/15/55/15/355155515.db2.gz MLCASZGKJPDXSV-RNCFNFMXSA-N 0 3 315.333 1.384 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]2COC[C@@H]21 ZINC000590971660 355227442 /nfs/dbraw/zinc/22/74/42/355227442.db2.gz DHGZITCHKUVJBV-NFAWXSAZSA-N 0 3 322.361 1.445 20 5 DDBDHN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1N(C)C ZINC000332645743 235236392 /nfs/dbraw/zinc/23/63/92/235236392.db2.gz LHPXRXDDYHCSNC-BDAKNGLRSA-N 0 3 319.408 1.227 20 5 DDBDHN CC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000592431089 355581055 /nfs/dbraw/zinc/58/10/55/355581055.db2.gz ZMRFPCLIEJIXMN-GXFFZTMASA-N 0 3 316.379 1.118 20 5 DDBDHN CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000593070267 355786369 /nfs/dbraw/zinc/78/63/69/355786369.db2.gz VYTWCBRCFGPTNF-LSDHHAIUSA-N 0 3 324.377 1.835 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])cn1)N1CCNC2(CCCCC2)C1 ZINC000594628985 356268949 /nfs/dbraw/zinc/26/89/49/356268949.db2.gz TVJQORRCBVSUKI-UHFFFAOYSA-N 0 3 304.350 1.738 20 5 DDBDHN N[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1F ZINC000595261386 356424452 /nfs/dbraw/zinc/42/44/52/356424452.db2.gz YPPQDHPIWFTYCG-GHMZBOCLSA-N 0 3 307.281 1.852 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000595477492 356509970 /nfs/dbraw/zinc/50/99/70/356509970.db2.gz UOUQAPAHMKRUCZ-CYBMUJFWSA-N 0 3 306.366 1.878 20 5 DDBDHN CC(C)(CO)[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cccnc1 ZINC000595501017 356520663 /nfs/dbraw/zinc/52/06/63/356520663.db2.gz QPBNDFJANLLQGM-CQSZACIVSA-N 0 3 319.365 1.536 20 5 DDBDHN CC[C@@H](C)[C@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236905319 202063491 /nfs/dbraw/zinc/06/34/91/202063491.db2.gz ZCWCENSBECHEEQ-DOMZBBRYSA-N 0 3 320.393 1.617 20 5 DDBDHN COc1ccc(OCCN2C[C@@H](C)[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000595742405 356631130 /nfs/dbraw/zinc/63/11/30/356631130.db2.gz GARUDNIRZYTCEU-ATCWAGBWSA-N 0 3 324.377 1.931 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000595856992 356679551 /nfs/dbraw/zinc/67/95/51/356679551.db2.gz HERBBDFSXKPMRO-IVMMDQJWSA-N 0 3 324.377 1.285 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@]2(C)CC[NH2+]C2)c1C ZINC000596051451 356753848 /nfs/dbraw/zinc/75/38/48/356753848.db2.gz OTNVONDVQZVFHO-CYBMUJFWSA-N 0 3 313.379 1.242 20 5 DDBDHN CN(C)CCN(CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000597204390 357091740 /nfs/dbraw/zinc/09/17/40/357091740.db2.gz IPGHUBLCJLLLOF-UHFFFAOYSA-N 0 3 308.382 1.047 20 5 DDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(CO)(CO)C1 ZINC000597218849 357098329 /nfs/dbraw/zinc/09/83/29/357098329.db2.gz LZYHZANPUFTNPA-NTUHNPAUSA-N 0 3 306.362 1.675 20 5 DDBDHN CC(=O)NCC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000347622523 283243564 /nfs/dbraw/zinc/24/35/64/283243564.db2.gz JAFHLRBBDOVKCB-ZDUSSCGKSA-N 0 3 309.370 1.030 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@H]2CCN(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597922500 357382524 /nfs/dbraw/zinc/38/25/24/357382524.db2.gz DXKBIFOBTVBAOG-JTQLQIEISA-N 0 3 309.370 1.239 20 5 DDBDHN C[C@H](CN1CCC(C)CC1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000598262852 357512926 /nfs/dbraw/zinc/51/29/26/357512926.db2.gz MTXVPMGEIUAXMJ-GFCCVEGCSA-N 0 3 309.370 1.028 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000598342080 357543821 /nfs/dbraw/zinc/54/38/21/357543821.db2.gz DKUPRFKMUXLSFR-LLVKDONJSA-N 0 3 307.350 1.818 20 5 DDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CCN1C1CCCC1 ZINC000599164768 357835581 /nfs/dbraw/zinc/83/55/81/357835581.db2.gz MBKZHRHWEZVVSU-LLVKDONJSA-N 0 3 319.365 1.518 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000347975829 283313219 /nfs/dbraw/zinc/31/32/19/283313219.db2.gz HZIIGDBQCAKDMB-LBPRGKRZSA-N 0 3 306.366 1.901 20 5 DDBDHN O=[N+]([O-])c1ccc(CO)c(-c2ccc(N3CCNCC3)nc2)c1 ZINC000600781687 358313854 /nfs/dbraw/zinc/31/38/54/358313854.db2.gz GRPKGQLJVCFGKR-UHFFFAOYSA-N 0 3 314.345 1.559 20 5 DDBDHN CN(C)CCn1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000600882712 358338224 /nfs/dbraw/zinc/33/82/24/358338224.db2.gz ABIIXHYAWPIDRM-UHFFFAOYSA-N 0 3 303.322 1.605 20 5 DDBDHN CN1CCC2(CC1)CC(=O)NN(c1cccc([N+](=O)[O-])c1)C2=O ZINC000601932028 358744098 /nfs/dbraw/zinc/74/40/98/358744098.db2.gz LZWIEQZXGROXBX-UHFFFAOYSA-N 0 3 318.333 1.075 20 5 DDBDHN COC[C@]1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCCN1 ZINC000602444965 358981478 /nfs/dbraw/zinc/98/14/78/358981478.db2.gz KENXWILBPYUNSQ-INIZCTEOSA-N 0 3 321.377 1.412 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCc2ccc(O)cc2CC1 ZINC000602789027 359193378 /nfs/dbraw/zinc/19/33/78/359193378.db2.gz WPSMSCLYYFODSE-UHFFFAOYSA-N 0 3 316.361 1.906 20 5 DDBDHN CNC(=O)CC[C@@H]1CCCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602825507 359220084 /nfs/dbraw/zinc/22/00/84/359220084.db2.gz CFQVTGNSUBDLGZ-ZDUSSCGKSA-N 0 3 323.397 1.480 20 5 DDBDHN Cc1nccn1CCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963493 359326757 /nfs/dbraw/zinc/32/67/57/359326757.db2.gz WUIVJEHNDZJABR-HNNXBMFYSA-N 0 3 304.350 1.597 20 5 DDBDHN Cn1cc(CN2CCNC[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000603428282 359634259 /nfs/dbraw/zinc/63/42/59/359634259.db2.gz GMBWSCOSKLHIJA-CQSZACIVSA-N 0 3 301.350 1.475 20 5 DDBDHN COc1cc(CNCCCn2cncn2)c([N+](=O)[O-])cc1OC ZINC000609140498 360265821 /nfs/dbraw/zinc/26/58/21/360265821.db2.gz SUUDCDIDNXCUPT-UHFFFAOYSA-N 0 3 321.337 1.383 20 5 DDBDHN CN1CCC[C@@H](N2CCN(c3ccsc3[N+](=O)[O-])CC2)C1 ZINC000609674473 360343180 /nfs/dbraw/zinc/34/31/80/360343180.db2.gz HBJMZBRFGZRJHO-GFCCVEGCSA-N 0 3 310.423 1.873 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1nncn1CC ZINC000609851397 360356293 /nfs/dbraw/zinc/35/62/93/360356293.db2.gz FFQLKDWYUBQUNX-UHFFFAOYSA-N 0 3 319.365 1.937 20 5 DDBDHN COc1ccc(OCCN(C)C[C@@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000610571772 360472387 /nfs/dbraw/zinc/47/23/87/360472387.db2.gz NQZUPMMCYGSXOF-CQSZACIVSA-N 0 3 310.350 1.685 20 5 DDBDHN O=C(CCN1CCc2cn[nH]c2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000611008783 360599990 /nfs/dbraw/zinc/59/99/90/360599990.db2.gz KOYFXAVTIPDMTE-UHFFFAOYSA-N 0 3 315.333 1.705 20 5 DDBDHN CC[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281287260 216212589 /nfs/dbraw/zinc/21/25/89/216212589.db2.gz GTLNBITZTVPLCQ-HUUCEWRRSA-N 0 3 324.377 1.835 20 5 DDBDHN Cc1ccncc1[C@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000611939626 360863281 /nfs/dbraw/zinc/86/32/81/360863281.db2.gz SAIPGHGIPLZEJM-AAEUAGOBSA-N 0 3 305.338 1.206 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN[C@]2(CO)CCCc3ccccc32)n1 ZINC000281462963 216316930 /nfs/dbraw/zinc/31/69/30/216316930.db2.gz BBAINUSUXDMBJR-INIZCTEOSA-N 0 3 316.361 1.605 20 5 DDBDHN COCCN1CCC(NC(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000194489949 201237500 /nfs/dbraw/zinc/23/75/00/201237500.db2.gz NTNFKGLNNQTZAK-UHFFFAOYSA-N 0 3 321.377 1.744 20 5 DDBDHN C[C@H](C(=O)NC[C@@](C)(O)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000566058839 304112577 /nfs/dbraw/zinc/11/25/77/304112577.db2.gz COOSRZFJMNKWLN-LRDDRELGSA-N 0 3 323.393 1.517 20 5 DDBDHN C[C@@H]1NCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H]1C ZINC000262724531 203393077 /nfs/dbraw/zinc/39/30/77/203393077.db2.gz GSSVGOCMRBYTDN-QWRGUYRKSA-N 0 3 318.377 1.992 20 5 DDBDHN CCCc1n[nH]c(C(=O)NCCN2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000264641021 204047966 /nfs/dbraw/zinc/04/79/66/204047966.db2.gz BWPBBGBLWYNIBY-NSHDSACASA-N 0 3 323.397 1.875 20 5 DDBDHN CCc1n[nH]c(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288490005 220175470 /nfs/dbraw/zinc/17/54/70/220175470.db2.gz ROIRPQDEJWBKOD-GHMZBOCLSA-N 0 3 321.381 1.579 20 5 DDBDHN CN(C)[C@]1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CCSC1 ZINC000267456871 206080021 /nfs/dbraw/zinc/08/00/21/206080021.db2.gz QKMATSHUNLHEBL-AWEZNQCLSA-N 0 3 324.406 1.344 20 5 DDBDHN COc1ccc(S(=O)(=O)[N-][C@H](C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000336847708 249255175 /nfs/dbraw/zinc/25/51/75/249255175.db2.gz GBHINMNQLLIWJX-SECBINFHSA-N 0 3 317.367 1.009 20 5 DDBDHN Cc1nn(C)c(C(=O)N(CCN(C)C)CC(C)C)c1[N+](=O)[O-] ZINC000104529671 194013937 /nfs/dbraw/zinc/01/39/37/194013937.db2.gz FUXGIVAZGRWATF-UHFFFAOYSA-N 0 3 311.386 1.297 20 5 DDBDHN CN(CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000338889655 250183538 /nfs/dbraw/zinc/18/35/38/250183538.db2.gz IIZARROGGLISIJ-UHFFFAOYSA-N 0 3 302.334 1.900 20 5 DDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C2CC2)C1 ZINC000340968971 251310107 /nfs/dbraw/zinc/31/01/07/251310107.db2.gz DBCWWZJCCVILRK-LBPRGKRZSA-N 0 3 319.361 1.717 20 5 DDBDHN CN(C)[C@]1(CNc2ncc([N+](=O)[O-])cc2F)CCSC1 ZINC000413167488 224147964 /nfs/dbraw/zinc/14/79/64/224147964.db2.gz HUBDLJHRNRAUCN-LBPRGKRZSA-N 0 3 300.359 1.978 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C1CC1)[C@H]1CNCCO1 ZINC000422718202 533221925 /nfs/dbraw/zinc/22/19/25/533221925.db2.gz PIEMKJNPXZSSRX-HZPDHXFCSA-N 0 3 321.377 1.460 20 5 DDBDHN COc1ccc(CNC(=O)C23CCCN2CCC3)cc1[N+](=O)[O-] ZINC000289796609 221232997 /nfs/dbraw/zinc/23/29/97/221232997.db2.gz YYNDWTDQOMCKTM-UHFFFAOYSA-N 0 3 319.361 1.848 20 5 DDBDHN COC(=O)COc1ccc(CN[C@@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000424184229 533558578 /nfs/dbraw/zinc/55/85/78/533558578.db2.gz LSEVPQABSCITBK-CYBMUJFWSA-N 0 3 306.318 1.789 20 5 DDBDHN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCNCC1 ZINC000237751690 296504842 /nfs/dbraw/zinc/50/48/42/296504842.db2.gz HVYDODOUERNDNO-UHFFFAOYSA-N 0 3 319.770 1.232 20 5 DDBDHN CC(C)N(CC(=O)OCC(C)[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000497036953 307377364 /nfs/dbraw/zinc/37/73/64/307377364.db2.gz ORDCXEDZDIJDDB-JTQLQIEISA-N 0 3 304.343 1.840 20 5 DDBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCCNC2)c1C ZINC000071397243 406839457 /nfs/dbraw/zinc/83/94/57/406839457.db2.gz DULYCXOBZUWZIV-NSHDSACASA-N 0 3 313.379 1.242 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CC[NH2+]CC2)cc1C ZINC000019991687 406885948 /nfs/dbraw/zinc/88/59/48/406885948.db2.gz MQXCRDRFZZVGRH-UHFFFAOYSA-N 0 3 313.379 1.242 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCC[C@@H]2CCO)c1 ZINC000071794361 406842373 /nfs/dbraw/zinc/84/23/73/406842373.db2.gz CXIGFPVFGCSJGP-HIFRSBDPSA-N 0 3 324.377 1.571 20 5 DDBDHN CCOc1cc(C(=O)NCCN(C)C)c([N+](=O)[O-])cc1OC ZINC000052893389 407159209 /nfs/dbraw/zinc/15/92/09/407159209.db2.gz AKQANXNRHSVJBC-UHFFFAOYSA-N 0 3 311.338 1.294 20 5 DDBDHN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)N(C)C1CC1 ZINC000152043253 407549962 /nfs/dbraw/zinc/54/99/62/407549962.db2.gz MFQXOTMJDPDPMA-JTQLQIEISA-N 0 3 309.341 1.875 20 5 DDBDHN C[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000187727828 407883565 /nfs/dbraw/zinc/88/35/65/407883565.db2.gz YGIRYTXGFJISRV-CQSZACIVSA-N 0 3 323.393 1.362 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000268278936 407982572 /nfs/dbraw/zinc/98/25/72/407982572.db2.gz WUSBWOKCUIEELZ-GWCFXTLKSA-N 0 3 321.381 1.089 20 5 DDBDHN CN1CCC[C@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181663481 408025465 /nfs/dbraw/zinc/02/54/65/408025465.db2.gz NLAFWVDQLQAKAA-SNVBAGLBSA-N 0 3 321.333 1.395 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154747723 408078029 /nfs/dbraw/zinc/07/80/29/408078029.db2.gz SAEWQPORRKZVSO-LLVKDONJSA-N 0 3 314.345 1.967 20 5 DDBDHN NC(=O)C[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000175250752 408088272 /nfs/dbraw/zinc/08/82/72/408088272.db2.gz UGQAPVYUGKRRDD-GFCCVEGCSA-N 0 3 307.350 1.561 20 5 DDBDHN COc1ccc(NC(=O)C[C@@H]2CSCCN2)cc1[N+](=O)[O-] ZINC000136481895 408106899 /nfs/dbraw/zinc/10/68/99/408106899.db2.gz PVJRZHLWCDQCMX-SNVBAGLBSA-N 0 3 311.363 1.637 20 5 DDBDHN CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000151100540 408255856 /nfs/dbraw/zinc/25/58/56/408255856.db2.gz YPRSQQCYOKACRS-LBPRGKRZSA-N 0 3 306.366 1.559 20 5 DDBDHN Cc1nn(C)c(C(=O)N2CCC[C@@H]2CN2CCCC2)c1[N+](=O)[O-] ZINC000263783301 408256783 /nfs/dbraw/zinc/25/67/83/408256783.db2.gz HGEOLLYQZYOTCD-GFCCVEGCSA-N 0 3 321.381 1.337 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1[N+](=O)[O-] ZINC000269328125 408270036 /nfs/dbraw/zinc/27/00/36/408270036.db2.gz DMSYRUHWKIRJJX-QWRGUYRKSA-N 0 3 321.381 1.750 20 5 DDBDHN O=C(NCC1CC1)[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176210438 408309274 /nfs/dbraw/zinc/30/92/74/408309274.db2.gz SIZWUWPDOLROML-CYBMUJFWSA-N 0 3 321.381 1.030 20 5 DDBDHN COCCN1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000138547403 162130017 /nfs/dbraw/zinc/13/00/17/162130017.db2.gz UFOTVYNROYWDBZ-UHFFFAOYSA-N 0 3 307.350 1.435 20 5 DDBDHN NC(=O)C1(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000269672302 408384790 /nfs/dbraw/zinc/38/47/90/408384790.db2.gz VFBPIEFRLZNLDG-CYBMUJFWSA-N 0 3 307.350 1.406 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270414113 408526479 /nfs/dbraw/zinc/52/64/79/408526479.db2.gz SCHDRSYYDYRGBY-OAHLLOKOSA-N 0 3 320.393 1.921 20 5 DDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000247410647 408468912 /nfs/dbraw/zinc/46/89/12/408468912.db2.gz NFQPZUUGNMGDEL-TZMCWYRMSA-N 0 3 305.378 1.936 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2c2ccncc2)c1 ZINC000270544555 408572847 /nfs/dbraw/zinc/57/28/47/408572847.db2.gz MBWJOXNFVCFQGS-HUUCEWRRSA-N 0 3 317.349 1.384 20 5 DDBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000248478435 408577572 /nfs/dbraw/zinc/57/75/72/408577572.db2.gz ZGOFVNJCMWRHLN-CHWSQXEVSA-N 0 3 310.350 1.445 20 5 DDBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270746072 408662624 /nfs/dbraw/zinc/66/26/24/408662624.db2.gz HFGOYJOEADUIFR-IJLUTSLNSA-N 0 3 323.397 1.425 20 5 DDBDHN CCN(CCO)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000185338656 408797999 /nfs/dbraw/zinc/79/79/99/408797999.db2.gz XDZFPCKEJOJPDB-UHFFFAOYSA-N 0 3 310.354 1.339 20 5 DDBDHN CCN1CCC[C@@H]1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000168307105 408818712 /nfs/dbraw/zinc/81/87/12/408818712.db2.gz NDYSOTJPMMEURY-LLVKDONJSA-N 0 3 307.350 1.818 20 5 DDBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H](c1ccccc1)N(C)C ZINC000285984767 408902352 /nfs/dbraw/zinc/90/23/52/408902352.db2.gz FZONWUZDTCOFLD-YGRLFVJLSA-N 0 3 317.349 1.739 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC([C@H]3CCCO3)CC2)c1 ZINC000189162907 163086681 /nfs/dbraw/zinc/08/66/81/163086681.db2.gz VOWSWOGUPFORNH-HUUCEWRRSA-N 0 3 324.381 1.043 20 5 DDBDHN CN1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000281718686 408916466 /nfs/dbraw/zinc/91/64/66/408916466.db2.gz IINPGMVVBFWKGN-UHFFFAOYSA-N 0 3 320.393 1.351 20 5 DDBDHN COCCN1CCC(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000194957845 163301515 /nfs/dbraw/zinc/30/15/15/163301515.db2.gz KODSIUCDNRDCPB-UHFFFAOYSA-N 0 3 322.365 1.216 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)N(C)C2CC2)n1 ZINC000286332328 408965223 /nfs/dbraw/zinc/96/52/23/408965223.db2.gz BKJHXSYMOLICTC-SECBINFHSA-N 0 3 308.338 1.671 20 5 DDBDHN CCN(C)CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277613994 408977682 /nfs/dbraw/zinc/97/76/82/408977682.db2.gz BBEMLJBQTNVZGQ-UHFFFAOYSA-N 0 3 320.353 1.222 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@@H]2CCCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000277895385 409030212 /nfs/dbraw/zinc/03/02/12/409030212.db2.gz GDRCOEPNCLMJOQ-SNVBAGLBSA-N 0 3 309.370 1.483 20 5 DDBDHN CC(C)[C@]1(CO)CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000293241511 409074360 /nfs/dbraw/zinc/07/43/60/409074360.db2.gz YYSOWAHRKPNYKB-MRXNPFEDSA-N 0 3 323.393 1.487 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000293797181 409181882 /nfs/dbraw/zinc/18/18/82/409181882.db2.gz XXOOKENUVQHEKS-IUODEOHRSA-N 0 3 321.377 1.430 20 5 DDBDHN Cc1nc(NCCCN2CCCO[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000295083734 409315803 /nfs/dbraw/zinc/31/58/03/409315803.db2.gz RMVOBGIQMXOMLI-NSHDSACASA-N 0 3 309.370 1.606 20 5 DDBDHN CN(C)CCN(C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000295277508 409412437 /nfs/dbraw/zinc/41/24/37/409412437.db2.gz LXVMSDISNNBQAR-UHFFFAOYSA-N 0 3 312.345 1.434 20 5 DDBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCC[C@@H](N2CCCC2)C1 ZINC000285382664 409419306 /nfs/dbraw/zinc/41/93/06/409419306.db2.gz GSSPQWYNKCSSCU-LLVKDONJSA-N 0 3 307.354 1.408 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCN(C)[C@H](C)C2)n1 ZINC000319187105 164034883 /nfs/dbraw/zinc/03/48/83/164034883.db2.gz OSBAEQIEXGKSQB-NXEZZACHSA-N 0 3 308.338 1.671 20 5 DDBDHN COC(=O)c1cc(OC[C@H](O)CN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000290750587 409508422 /nfs/dbraw/zinc/50/84/22/409508422.db2.gz ISCFUJJJPHANIL-LLVKDONJSA-N 0 3 324.333 1.215 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000342452882 409643163 /nfs/dbraw/zinc/64/31/63/409643163.db2.gz QPLOYVQMBSLFLY-DGCLKSJQSA-N 0 3 319.361 1.573 20 5 DDBDHN C[C@H](N[C@H]1CCCN(C)[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000342709361 409835418 /nfs/dbraw/zinc/83/54/18/409835418.db2.gz JUMUHURTZHADPT-ZOWXZIJZSA-N 0 3 320.393 1.994 20 5 DDBDHN C[C@H](CN(C)C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000346264638 409891384 /nfs/dbraw/zinc/89/13/84/409891384.db2.gz OBCFQJBAFFXZFY-LLVKDONJSA-N 0 3 317.349 1.460 20 5 DDBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000346727122 410114355 /nfs/dbraw/zinc/11/43/55/410114355.db2.gz JZNLEFVCPOLXPZ-GFCCVEGCSA-N 0 3 310.354 1.106 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCN1C ZINC000332695036 410218012 /nfs/dbraw/zinc/21/80/12/410218012.db2.gz RJERJTBNEAAPTB-ONGXEEELSA-N 0 3 321.333 1.536 20 5 DDBDHN CCOC(=O)CCN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000343463244 410475011 /nfs/dbraw/zinc/47/50/11/410475011.db2.gz UPHOZFAEEILLOA-UHFFFAOYSA-N 0 3 323.349 1.808 20 5 DDBDHN CN1CC[C@](O)(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000358295507 410441899 /nfs/dbraw/zinc/44/18/99/410441899.db2.gz BRBMLXOIMXDKGO-ZDUSSCGKSA-N 0 3 317.292 1.675 20 5 DDBDHN COc1ccc(C(=O)N[C@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343525034 410508770 /nfs/dbraw/zinc/50/87/70/410508770.db2.gz LSZZEVSEIMJNMJ-JQWIXIFHSA-N 0 3 307.350 1.816 20 5 DDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(C2CC2)C1 ZINC000340088159 410665835 /nfs/dbraw/zinc/66/58/35/410665835.db2.gz IOHJJXLZKQLDTC-CYBMUJFWSA-N 0 3 318.377 1.673 20 5 DDBDHN CN1CCC[C@H](N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000301301643 410695161 /nfs/dbraw/zinc/69/51/61/410695161.db2.gz RKKUVLFDLJKLEJ-ZDUSSCGKSA-N 0 3 305.382 1.206 20 5 DDBDHN Cc1ccnc(N2CCCN(C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000301369505 410709186 /nfs/dbraw/zinc/70/91/86/410709186.db2.gz PHWXIJMHWHXBOX-UHFFFAOYSA-N 0 3 320.393 1.989 20 5 DDBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccco1 ZINC000359533384 410713754 /nfs/dbraw/zinc/71/37/54/410713754.db2.gz AFCSYKBEFBUAQV-ZJUUUORDSA-N 0 3 321.337 1.770 20 5 DDBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccco1 ZINC000359533384 410713755 /nfs/dbraw/zinc/71/37/55/410713755.db2.gz AFCSYKBEFBUAQV-ZJUUUORDSA-N 0 3 321.337 1.770 20 5 DDBDHN Cc1cnc(NC[C@H](O)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000301440200 410719334 /nfs/dbraw/zinc/71/93/34/410719334.db2.gz MBDKFMFSMWARGB-ZDUSSCGKSA-N 0 3 308.382 1.803 20 5 DDBDHN C[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000330836109 410896349 /nfs/dbraw/zinc/89/63/49/410896349.db2.gz KMIAPKLTJKLNKR-DYEKYZERSA-N 0 3 310.350 1.037 20 5 DDBDHN C[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000330836108 410897111 /nfs/dbraw/zinc/89/71/11/410897111.db2.gz KMIAPKLTJKLNKR-BZPMIXESSA-N 0 3 310.350 1.037 20 5 DDBDHN C[C@@H]1C[C@H](CO)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000344117206 410966327 /nfs/dbraw/zinc/96/63/27/410966327.db2.gz BLLUILYXXDOUDF-UMVBOHGHSA-N 0 3 324.377 1.427 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)C2CCN(C)CC2)n1 ZINC000331218402 411022253 /nfs/dbraw/zinc/02/22/53/411022253.db2.gz XCCZWLIQYDCFCA-LLVKDONJSA-N 0 3 323.397 1.614 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](O)CN1CCCCC1 ZINC000360953384 418553432 /nfs/dbraw/zinc/55/34/32/418553432.db2.gz KQEHPHXOBGWRMK-GFCCVEGCSA-N 0 3 311.386 1.378 20 5 DDBDHN C[C@H]1CCOCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000374992224 418585375 /nfs/dbraw/zinc/58/53/75/418585375.db2.gz WLEHDDKDNVWDMB-JSGCOSHPSA-N 0 3 310.350 1.445 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000368217986 418705968 /nfs/dbraw/zinc/70/59/68/418705968.db2.gz CERWSIJGVAFDTG-IAGOWNOFSA-N 0 3 319.405 1.934 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](Cc3ccncc3)C2)c1 ZINC000368138690 418695189 /nfs/dbraw/zinc/69/51/89/418695189.db2.gz KJLVTPWBKGNQCR-CQSZACIVSA-N 0 3 301.350 1.751 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000383336351 418733558 /nfs/dbraw/zinc/73/35/58/418733558.db2.gz WSAHRKUCHFANPR-VIFPVBQESA-N 0 3 323.321 1.164 20 5 DDBDHN C[C@@H]1[C@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000411430315 418904230 /nfs/dbraw/zinc/90/42/30/418904230.db2.gz OALBNPRODBTTJM-OLZOCXBDSA-N 0 3 320.393 1.948 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](O)C[C@@H]1C ZINC000411413825 418901486 /nfs/dbraw/zinc/90/14/86/418901486.db2.gz AONLDTWRLPHYJY-CMPLNLGQSA-N 0 3 323.349 1.387 20 5 DDBDHN N[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1c1ccccc1F ZINC000424034483 228221748 /nfs/dbraw/zinc/22/17/48/228221748.db2.gz CEAQSDRGUHFMKT-WCQYABFASA-N 0 3 318.308 1.629 20 5 DDBDHN COC[C@@H]1C[C@H](O)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411914999 419484413 /nfs/dbraw/zinc/48/44/13/419484413.db2.gz VLCKHGDNBKUVJI-KBPBESRZSA-N 0 3 323.349 1.005 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000427597694 419691691 /nfs/dbraw/zinc/69/16/91/419691691.db2.gz XIMOIRKXSVPUJC-CYBMUJFWSA-N 0 3 319.361 1.912 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCOC[C@@H]1C ZINC000433154687 229162193 /nfs/dbraw/zinc/16/21/93/229162193.db2.gz UJHCTEAZHQYVQN-NWDGAFQWSA-N 0 3 307.350 1.856 20 5 DDBDHN C[C@H]1C[C@H]1N1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000429005575 419961365 /nfs/dbraw/zinc/96/13/65/419961365.db2.gz MNMRJNRJCPYETF-FRRDWIJNSA-N 0 3 307.398 1.490 20 5 DDBDHN CCOc1ccc([C@@H](C)NC[C@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000423520762 420071447 /nfs/dbraw/zinc/07/14/47/420071447.db2.gz QFVXIMRHQWMMAU-TZMCWYRMSA-N 0 3 322.409 1.548 20 5 DDBDHN O=C(C[C@H]1CNCCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423720904 420141184 /nfs/dbraw/zinc/14/11/84/420141184.db2.gz IBPJOKSPLIPDPP-HNNXBMFYSA-N 0 3 319.361 1.464 20 5 DDBDHN CC1(C)CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCN1 ZINC000420270354 420176052 /nfs/dbraw/zinc/17/60/52/420176052.db2.gz GKTGTERMPSFSSS-UHFFFAOYSA-N 0 3 303.322 1.833 20 5 DDBDHN CCc1ccccc1[C@@H](N)CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000423973145 420288624 /nfs/dbraw/zinc/28/86/24/420288624.db2.gz JIXSGQJHFUGMPZ-LBPRGKRZSA-N 0 3 317.349 1.619 20 5 DDBDHN COC(=O)c1cnc(N(C)C[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000420643887 420340485 /nfs/dbraw/zinc/34/04/85/420340485.db2.gz XPYUJPGSWOFAHT-NSHDSACASA-N 0 3 308.338 1.307 20 5 DDBDHN Cc1cc(N2CCN(CC(C)(C)O)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000302521283 230281692 /nfs/dbraw/zinc/28/16/92/230281692.db2.gz ITVOOOVPJJDDQT-GFCCVEGCSA-N 0 3 308.382 1.580 20 5 DDBDHN CN1CC=C(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000492384913 420541748 /nfs/dbraw/zinc/54/17/48/420541748.db2.gz HBKMBITUWLKJSG-WAYWQWQTSA-N 0 3 301.346 1.986 20 5 DDBDHN O=[N+]([O-])c1ccccc1CN1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000451300862 420596898 /nfs/dbraw/zinc/59/68/98/420596898.db2.gz MREMEGJMKQVKRJ-LZWOXQAQSA-N 0 3 306.362 1.957 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000440834626 420611431 /nfs/dbraw/zinc/61/14/31/420611431.db2.gz AOTJEOCLUCDYMI-LLVKDONJSA-N 0 3 313.379 1.099 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457132384 420625874 /nfs/dbraw/zinc/62/58/74/420625874.db2.gz USURNMVGDSNVIK-LBPRGKRZSA-N 0 3 306.366 1.853 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCC[C@]1(C)CO ZINC000492894861 420702530 /nfs/dbraw/zinc/70/25/30/420702530.db2.gz SKBKKRBTIIOARZ-GOEBONIOSA-N 0 3 321.377 1.982 20 5 DDBDHN C[C@@H](CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)N(C)C ZINC000459041457 420788427 /nfs/dbraw/zinc/78/84/27/420788427.db2.gz NMFAUTVSKLLEDY-NSHDSACASA-N 0 3 322.365 1.318 20 5 DDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@](O)(CO)C1 ZINC000459727657 420858081 /nfs/dbraw/zinc/85/80/81/420858081.db2.gz RADGWICRIFVNAM-LPDYGMJQSA-N 0 3 306.362 1.817 20 5 DDBDHN CC(C)[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1C ZINC000488012769 421062515 /nfs/dbraw/zinc/06/25/15/421062515.db2.gz UYKPOJNDOMZEAV-OAHLLOKOSA-N 0 3 320.393 1.466 20 5 DDBDHN Cc1nc(NC[C@@H](Cc2ccccc2)N(C)C)ncc1[N+](=O)[O-] ZINC000450213031 421163728 /nfs/dbraw/zinc/16/37/28/421163728.db2.gz FPEHAPXFNZTECM-CQSZACIVSA-N 0 3 315.377 2.278 20 5 DDBDHN CC(COC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC1)[N+](=O)[O-] ZINC000496920743 421337535 /nfs/dbraw/zinc/33/75/35/421337535.db2.gz CIZNAPBVWDJZSB-MWLCHTKSSA-N 0 3 316.354 1.888 20 5 DDBDHN Cc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000562492746 421373847 /nfs/dbraw/zinc/37/38/47/421373847.db2.gz BNAUVCBWTKVQDB-CYBMUJFWSA-N 0 3 308.313 1.390 20 5 DDBDHN CCC[C@H](NCC(=O)N1CCNCC1)c1cccc([N+](=O)[O-])c1 ZINC000573108296 421921062 /nfs/dbraw/zinc/92/10/62/421921062.db2.gz LOXHRAFSTVPWFX-HNNXBMFYSA-N 0 3 320.393 1.457 20 5 DDBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000574782371 422180718 /nfs/dbraw/zinc/18/07/18/422180718.db2.gz DVJOWUYVBRGFAB-LBPRGKRZSA-N 0 3 323.397 1.758 20 5 DDBDHN CC[C@@]1(O)CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000602983367 422441017 /nfs/dbraw/zinc/44/10/17/422441017.db2.gz IWZIWTXEPXHMNH-CZUORRHYSA-N 0 3 324.377 1.571 20 5 DDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC(=O)NC1CC1 ZINC000459551015 533685656 /nfs/dbraw/zinc/68/56/56/533685656.db2.gz LJZDNUIDKWASDC-SNVBAGLBSA-N 0 3 320.349 1.180 20 5 DDBDHN CC[C@H]1CN(C)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578589561 422602511 /nfs/dbraw/zinc/60/25/11/422602511.db2.gz ZVUCRLSZDBDBCQ-ZFWWWQNUSA-N 0 3 323.393 1.361 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@]23CCOC3)c1 ZINC000341978025 271265388 /nfs/dbraw/zinc/26/53/88/271265388.db2.gz XFMBTZBXLBURAG-HOCLYGCPSA-N 0 3 322.361 1.589 20 5 DDBDHN NC(=O)c1ccc(CN2CCCCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000342074446 271291024 /nfs/dbraw/zinc/29/10/24/271291024.db2.gz XEZPBTHPHPACLH-AWEZNQCLSA-N 0 3 321.377 1.821 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1ncn(C)n1 ZINC000344899605 272137770 /nfs/dbraw/zinc/13/77/70/272137770.db2.gz GCAOLBQESKCRCD-UHFFFAOYSA-N 0 3 305.338 1.454 20 5 DDBDHN CN1CCC[C@]2(CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292664754 277087264 /nfs/dbraw/zinc/08/72/64/277087264.db2.gz CSDOWAYRXXZSDI-INIZCTEOSA-N 0 3 318.377 1.616 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCN1CCCC1 ZINC000089898276 281027058 /nfs/dbraw/zinc/02/70/58/281027058.db2.gz HIIJYODUODAFCW-UHFFFAOYSA-N 0 3 320.393 1.869 20 5 DDBDHN CC1(C)C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000261726656 281280040 /nfs/dbraw/zinc/28/00/40/281280040.db2.gz NXMMHQMWYBWMLX-GFCCVEGCSA-N 0 3 313.379 1.261 20 5 DDBDHN CN(C)CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131193280 281408216 /nfs/dbraw/zinc/40/82/16/281408216.db2.gz ALYHFCHHGXLNIK-UHFFFAOYSA-N 0 3 315.757 1.695 20 5 DDBDHN COCCO[C@H]1COCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000362530023 300087729 /nfs/dbraw/zinc/08/77/29/300087729.db2.gz UZXZRUVGODPHLU-CABCVRRESA-N 0 3 310.350 1.505 20 5 DDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000363265557 300241755 /nfs/dbraw/zinc/24/17/55/300241755.db2.gz FYFAKBOAEKPFSW-CABCVRRESA-N 0 3 319.361 1.117 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H]1CN1CCCC1 ZINC000363871448 300318924 /nfs/dbraw/zinc/31/89/24/300318924.db2.gz CYYQOVVZQPACJL-CYBMUJFWSA-N 0 3 304.350 1.690 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000368587931 301058955 /nfs/dbraw/zinc/05/89/55/301058955.db2.gz BUQQVMYWXKYPHJ-JSGCOSHPSA-N 0 3 319.361 1.526 20 5 DDBDHN O=[N+]([O-])c1cnn(CCNc2ccncc2-c2cccnc2)c1 ZINC000376394338 302071815 /nfs/dbraw/zinc/07/18/15/302071815.db2.gz GLYVXSHIRBWJGD-UHFFFAOYSA-N 0 3 310.317 1.782 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000447243749 302396006 /nfs/dbraw/zinc/39/60/06/302396006.db2.gz JMRQFEVMJCEYJT-MNOVXSKESA-N 0 3 313.379 1.322 20 5 DDBDHN CCCN1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000363646008 307032477 /nfs/dbraw/zinc/03/24/77/307032477.db2.gz SWLWDCXQIQJUSK-UHFFFAOYSA-N 0 3 306.366 1.735 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000531804457 303257763 /nfs/dbraw/zinc/25/77/63/303257763.db2.gz ZPGCKLGGYGKRCB-IAQYHMDHSA-N 0 3 318.377 1.877 20 5 DDBDHN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCCC[C@H](N2CCCC2)C1 ZINC000548942877 303599642 /nfs/dbraw/zinc/59/96/42/303599642.db2.gz DXUAYIGXFUOKMY-NSHDSACASA-N 0 3 307.354 1.408 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000361854987 307009102 /nfs/dbraw/zinc/00/91/02/307009102.db2.gz MWMIWJBCSQSZPP-OAHLLOKOSA-N 0 3 322.365 1.400 20 5 DDBDHN CN(C(=O)CN[C@@H]1CCO[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000365192491 307061542 /nfs/dbraw/zinc/06/15/42/307061542.db2.gz QDGGGWRJKDTQFJ-ZBFHGGJFSA-N 0 3 319.361 1.715 20 5 DDBDHN CC(C)[C@H](C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N(C)C ZINC000372235466 307165710 /nfs/dbraw/zinc/16/57/10/307165710.db2.gz IGZWMMIQTMFBMZ-GXTWGEPZSA-N 0 3 323.397 1.541 20 5 DDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000376448420 307244241 /nfs/dbraw/zinc/24/42/41/307244241.db2.gz MUSKBWKDLBWMHO-AAEUAGOBSA-N 0 3 318.377 1.876 20 5 DDBDHN CC[NH2+]CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000036299416 337352877 /nfs/dbraw/zinc/35/28/77/337352877.db2.gz SSDNCRVJUQMKKP-UHFFFAOYSA-N 0 3 321.786 1.526 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccccc2Cl)c1 ZINC000037876719 337368511 /nfs/dbraw/zinc/36/85/11/337368511.db2.gz WGLFVCSUQACOPA-LBPRGKRZSA-N 0 3 310.741 1.595 20 5 DDBDHN C[C@@H]1OCC[C@]1(C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000494225951 534205501 /nfs/dbraw/zinc/20/55/01/534205501.db2.gz DPFQKHRPSNQNDB-NHYWBVRUSA-N 0 3 307.350 1.715 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(CCCO)C1 ZINC000295916211 534703705 /nfs/dbraw/zinc/70/37/05/534703705.db2.gz CQVFZMVNUGKNOT-CQSZACIVSA-N 0 3 321.377 1.100 20 5 DDBDHN CC(C)(O)[C@@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000305427194 527360214 /nfs/dbraw/zinc/36/02/14/527360214.db2.gz CAMRGBVYKMBFNW-ZDUSSCGKSA-N 0 3 307.350 1.429 20 5 DDBDHN CCN1C[C@@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000459478308 527931537 /nfs/dbraw/zinc/93/15/37/527931537.db2.gz MZXGJZARRJVXGU-CHWSQXEVSA-N 0 3 308.382 1.171 20 5 DDBDHN CC(C)CN(CCn1cc([N+](=O)[O-])cn1)Cc1cnn(C)c1 ZINC000459594713 527944211 /nfs/dbraw/zinc/94/42/11/527944211.db2.gz LHYVNOKYUIEYNI-UHFFFAOYSA-N 0 3 306.370 1.683 20 5 DDBDHN CCOC(=O)[C@H]1NCC[C@@H]1NCCc1cccc([N+](=O)[O-])c1 ZINC000423016979 528089456 /nfs/dbraw/zinc/08/94/56/528089456.db2.gz VFECZVZDHGWIMH-KBPBESRZSA-N 0 3 307.350 1.021 20 5 DDBDHN C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000736848979 598246849 /nfs/dbraw/zinc/24/68/49/598246849.db2.gz QEKXDNJWZFVUTH-UHFFFAOYSA-N 0 3 317.353 1.529 20 5 DDBDHN C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000736848979 598246847 /nfs/dbraw/zinc/24/68/47/598246847.db2.gz QEKXDNJWZFVUTH-UHFFFAOYSA-N 0 3 317.353 1.529 20 5 DDBDHN C[C@@H]1CCCN1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000773199222 697727312 /nfs/dbraw/zinc/72/73/12/697727312.db2.gz QCFBCOJYYVXKSC-SNVBAGLBSA-N 0 3 322.321 1.717 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)CC2CC2)CC1 ZINC000989847868 698793734 /nfs/dbraw/zinc/79/37/34/698793734.db2.gz HUDNPJFPOVDDJW-UHFFFAOYSA-N 0 3 321.381 1.209 20 5 DDBDHN C[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788665594 699332441 /nfs/dbraw/zinc/33/24/41/699332441.db2.gz PBVIHWKOZYBSKX-IQOUGMIPSA-N 0 3 318.377 1.837 20 5 DDBDHN COCCN(C)CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000726908303 699388079 /nfs/dbraw/zinc/38/80/79/699388079.db2.gz XGBDWDZFSLABIB-UHFFFAOYSA-N 0 3 312.395 1.459 20 5 DDBDHN CC[C@@H](CO)N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000737387123 699739280 /nfs/dbraw/zinc/73/92/80/699739280.db2.gz KYICRECKFYREMA-ZJUUUORDSA-N 0 3 311.338 1.291 20 5 DDBDHN Cc1cccc2c1CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000743846584 699928851 /nfs/dbraw/zinc/92/88/51/699928851.db2.gz OCBGFFJQNBBRGW-OAHLLOKOSA-N 0 3 316.361 1.519 20 5 DDBDHN O=C(CN[C@@H](CCO)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000771801498 701331326 /nfs/dbraw/zinc/33/13/26/701331326.db2.gz SDBHTNJGUKQAIQ-AWEZNQCLSA-N 0 3 319.361 1.235 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCN(C)C(C)(C)CC1 ZINC000879215057 706616569 /nfs/dbraw/zinc/61/65/69/706616569.db2.gz ZEIKAZWNIODEKO-UHFFFAOYSA-N 0 3 321.381 1.668 20 5 DDBDHN CCN(CC)C(=O)N1CCC(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813108230 702295411 /nfs/dbraw/zinc/29/54/11/702295411.db2.gz WECQUNBXHXDLPU-NSHDSACASA-N 0 3 315.370 1.369 20 5 DDBDHN CC(COC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1)[N+](=O)[O-] ZINC000813109861 702296202 /nfs/dbraw/zinc/29/62/02/702296202.db2.gz XCNNWGLIYOGGHI-IUPBHXKESA-N 0 3 324.308 1.554 20 5 DDBDHN CC(COC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)[N+](=O)[O-] ZINC000813110463 702296443 /nfs/dbraw/zinc/29/64/43/702296443.db2.gz BETXICVCRNXOEB-ADEWGFFLSA-N 0 3 307.302 1.770 20 5 DDBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)[N+](=O)[O-] ZINC000813113041 702298392 /nfs/dbraw/zinc/29/83/92/702298392.db2.gz WVKIGMVWLNSQOR-NWDGAFQWSA-N 0 3 313.354 1.123 20 5 DDBDHN CC(COC(=O)CC(C)(C)NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813114919 702299542 /nfs/dbraw/zinc/29/95/42/702299542.db2.gz XVAYOLJATKVGPK-SECBINFHSA-N 0 3 304.343 1.888 20 5 DDBDHN CC1(C)CNCCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000818525000 702659001 /nfs/dbraw/zinc/65/90/01/702659001.db2.gz UHGQTBSCUJDDJT-UHFFFAOYSA-N 0 3 311.313 1.323 20 5 DDBDHN CCOC(=O)C1CCC(CC(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000842801325 702776090 /nfs/dbraw/zinc/77/60/90/702776090.db2.gz GXUFGHWWJZISAK-UNXYVOJBSA-N 0 3 301.339 1.954 20 5 DDBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531857 706710845 /nfs/dbraw/zinc/71/08/45/706710845.db2.gz MFKDWKKAUYXLPE-TVYUQYBPSA-N 0 3 303.318 1.202 20 5 DDBDHN C[C@H](NC[C@@]12COC(=O)N1CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000866519814 706719640 /nfs/dbraw/zinc/71/96/40/706719640.db2.gz WTBPJKOPTYDKGZ-XHDPSFHLSA-N 0 3 321.333 1.467 20 5 DDBDHN CC([C@@H](OC(=O)CS(C)(=O)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845875529 703211440 /nfs/dbraw/zinc/21/14/40/703211440.db2.gz NDIOPYHLJWTSHZ-PRHODGIISA-N 0 3 319.310 1.120 20 5 DDBDHN CC([C@H](OC(=O)CC1OCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845884084 703212253 /nfs/dbraw/zinc/21/22/53/703212253.db2.gz XHDCXWMWAUYPTC-OTYXRUKQSA-N 0 3 313.281 1.838 20 5 DDBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000848353164 703542315 /nfs/dbraw/zinc/54/23/15/703542315.db2.gz YIITWRMBONOIPY-STQMWFEESA-N 0 3 319.365 1.319 20 5 DDBDHN CC(COC(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1)[N+](=O)[O-] ZINC000851037233 703774968 /nfs/dbraw/zinc/77/49/68/703774968.db2.gz SSFROPVLGPAEAQ-QWRGUYRKSA-N 0 3 324.308 1.777 20 5 DDBDHN CC(=O)N1C[C@H]2CN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000880311372 706937527 /nfs/dbraw/zinc/93/75/27/706937527.db2.gz DJAIWTWQMRPDDY-LZWOXQAQSA-N 0 3 319.361 1.038 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](c2nccs2)C1 ZINC000880320733 706940022 /nfs/dbraw/zinc/94/00/22/706940022.db2.gz XKZZAWVFFHOCTR-NSHDSACASA-N 0 3 320.374 1.703 20 5 DDBDHN COCC[C@@H](N)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000884062185 708122524 /nfs/dbraw/zinc/12/25/24/708122524.db2.gz JBBQUMGCCQIXIU-GFCCVEGCSA-N 0 3 315.757 1.570 20 5 DDBDHN C[C@@H](NC(=O)[C@H]1CN2CCN1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000928249273 713157376 /nfs/dbraw/zinc/15/73/76/713157376.db2.gz RFGYLYCKLAEGKR-IUODEOHRSA-N 0 3 318.377 1.162 20 5 DDBDHN CCN1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@H]1C ZINC000891993968 710348891 /nfs/dbraw/zinc/34/88/91/710348891.db2.gz XSTLUYDQYPHEJK-LLVKDONJSA-N 0 3 309.366 1.835 20 5 DDBDHN COc1ccc(CC(=O)N[C@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928451246 713202566 /nfs/dbraw/zinc/20/25/66/713202566.db2.gz VIRSIIPMANSJNQ-JQWIXIFHSA-N 0 3 307.350 1.355 20 5 DDBDHN CC(C)N(C)CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911478900 710814681 /nfs/dbraw/zinc/81/46/81/710814681.db2.gz UYERBZPNUXOJNM-UHFFFAOYSA-N 0 3 301.293 1.829 20 5 DDBDHN CN(CCCN(C)c1c([N+](=O)[O-])cnn1C)Cc1ccco1 ZINC000893846966 710855739 /nfs/dbraw/zinc/85/57/39/710855739.db2.gz CFGQONYDZNQKDZ-UHFFFAOYSA-N 0 3 307.354 1.880 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000893936012 710892126 /nfs/dbraw/zinc/89/21/26/710892126.db2.gz TYNZPZWGTDGQJQ-YUMQZZPRSA-N 0 3 319.287 1.487 20 5 DDBDHN COc1cc([C@H](C)NC[C@H](O)[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000903206244 711064108 /nfs/dbraw/zinc/06/41/08/711064108.db2.gz PVTFKWKFYWEOQV-LKTVYLICSA-N 0 3 310.350 1.794 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@]1(CO)COCCN1C ZINC000903282455 711087955 /nfs/dbraw/zinc/08/79/55/711087955.db2.gz UCKHLHASZQFUDU-XJKSGUPXSA-N 0 3 323.393 1.247 20 5 DDBDHN O=[N+]([O-])CCNC[C@H](CO)Cc1ccc(Br)cc1 ZINC000905366548 712017005 /nfs/dbraw/zinc/01/70/05/712017005.db2.gz PBSPRIGQKOVIQP-LLVKDONJSA-N 0 3 317.183 1.466 20 5 DDBDHN O=C1C[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CN1CC1CC1 ZINC000905448191 712039808 /nfs/dbraw/zinc/03/98/08/712039808.db2.gz AKRYLCRVSQPVDO-ZFWWWQNUSA-N 0 3 319.361 1.229 20 5 DDBDHN CCN1CCC[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000905551883 712074958 /nfs/dbraw/zinc/07/49/58/712074958.db2.gz OBKMEDASBIVXFO-KGLIPLIRSA-N 0 3 307.350 1.229 20 5 DDBDHN CC[C@H](CO)N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000915875803 713434311 /nfs/dbraw/zinc/43/43/11/713434311.db2.gz XGYMGTCXHHFSFZ-NXEZZACHSA-N 0 3 311.338 1.291 20 5 DDBDHN O=[N+]([O-])c1cc(CNC[C@@H]2CCN2C2CCOCC2)cs1 ZINC000922950107 714195428 /nfs/dbraw/zinc/19/54/28/714195428.db2.gz CFACEEZLSAMTDE-ZDUSSCGKSA-N 0 3 311.407 1.999 20 5 DDBDHN Cn1c(C[N+](=O)[O-])nnc1N1CCN(C2CCCCC2)CC1 ZINC001121391759 782488932 /nfs/dbraw/zinc/48/89/32/782488932.db2.gz JQKWLFRMOGJIKC-UHFFFAOYSA-N 0 3 308.386 1.047 20 5 DDBDHN CCN(CC)CC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001105407974 740995772 /nfs/dbraw/zinc/99/57/72/740995772.db2.gz PKSXJJHBZBQGRZ-UHFFFAOYSA-N 0 3 323.397 1.226 20 5 DDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)C1 ZINC001169023823 762202055 /nfs/dbraw/zinc/20/20/55/762202055.db2.gz FLWKVSDPPWPYRE-XUWVNRHRSA-N 0 3 309.410 1.227 20 5 DDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(Cc3ccncc3)CC2)C1 ZINC001169024934 762202417 /nfs/dbraw/zinc/20/24/17/762202417.db2.gz HVZPEROECIXDMQ-JKSUJKDBSA-N 0 3 304.394 1.645 20 5 DDBDHN O=C(Cc1ncc[nH]1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001169204090 762278573 /nfs/dbraw/zinc/27/85/73/762278573.db2.gz HJMBISVHRHWDLV-UHFFFAOYSA-N 0 3 323.378 1.218 20 5 DDBDHN C[C@H](N)c1ccn(-c2ccc([N+](=O)[O-])c3c2CCN(C)C3)n1 ZINC001169234354 762293443 /nfs/dbraw/zinc/29/34/43/762293443.db2.gz HPXICHIDRHPOPW-JTQLQIEISA-N 0 3 301.350 1.788 20 5 DDBDHN Cc1c[n+]([O-])c(N2CCCc3ccc(CN)nc32)cc1[N+](=O)[O-] ZINC001169583988 762544121 /nfs/dbraw/zinc/54/41/21/762544121.db2.gz JPKIUEPMONMFPG-UHFFFAOYSA-N 0 3 315.333 1.475 20 5 DDBDHN CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@@H](C)[C@H]1CNCCO1 ZINC001170570881 768192235 /nfs/dbraw/zinc/19/22/35/768192235.db2.gz LSHKMUOLIYAVPI-GXFFZTMASA-N 0 3 323.349 1.560 20 5 DDBDHN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCNC2(CC2)C1 ZINC001158937877 770149519 /nfs/dbraw/zinc/14/95/19/770149519.db2.gz DICGKZNCDYJENR-UHFFFAOYSA-N 0 3 306.322 1.109 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)CN(C)C(C)C ZINC001093674055 774989053 /nfs/dbraw/zinc/98/90/53/774989053.db2.gz LWGUHCWUZCGWJC-UHFFFAOYSA-N 0 3 309.370 1.167 20 5 DDBDHN CCCN(C)CC(=O)NCCNc1ccc([N+](=O)[O-])cc1F ZINC001093787770 775078697 /nfs/dbraw/zinc/07/86/97/775078697.db2.gz KKHZDSMALQYFSB-UHFFFAOYSA-N 0 3 312.345 1.604 20 5 DDBDHN Cc1[nH]cnc1CC(=O)NCCNc1ccc(C)cc1[N+](=O)[O-] ZINC001093776508 775101751 /nfs/dbraw/zinc/10/17/51/775101751.db2.gz HLRUOQZOBKQTAY-UHFFFAOYSA-N 0 3 317.349 1.706 20 5 DDBDHN CCN(CC)CC(=O)NCCCNc1nccc(C)c1[N+](=O)[O-] ZINC001094441775 775878228 /nfs/dbraw/zinc/87/82/28/775878228.db2.gz ALQPEPUTDWEFPM-UHFFFAOYSA-N 0 3 323.397 1.558 20 5 DDBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1ccc[nH]1 ZINC001154562947 861222673 /nfs/dbraw/zinc/22/26/73/861222673.db2.gz OUUBSBWDPCOQGE-UHFFFAOYSA-N 0 3 308.363 1.894 20 5 DDBDHN Cc1c(C)c(NCc2nnn3c2CNCCC3)ncc1[N+](=O)[O-] ZINC001155397458 862039273 /nfs/dbraw/zinc/03/92/73/862039273.db2.gz KXCLJXJBDXYBPW-UHFFFAOYSA-N 0 3 317.353 1.304 20 5 DDBDHN Cc1nccn1CC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001151147506 862651688 /nfs/dbraw/zinc/65/16/88/862651688.db2.gz OZIWJOWHPAAMRP-UHFFFAOYSA-N 0 3 317.349 1.006 20 5 DDBDHN Cc1nn(CCC(=O)N2[C@H](C)CN[C@@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC001122182506 858705162 /nfs/dbraw/zinc/70/51/62/858705162.db2.gz VUIGWRZUCTXQQV-SCVCMEIPSA-N 0 3 323.397 1.396 20 5 DDBDHN Cc1nn(C)c(-c2nc([C@@H]3CN4CCC3CC4)no2)c1[N+](=O)[O-] ZINC001320206616 866561315 /nfs/dbraw/zinc/56/13/15/866561315.db2.gz CQMLCENKPXTONI-SNVBAGLBSA-N 0 3 318.337 1.496 20 5 DDBDHN O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001335117118 868075689 /nfs/dbraw/zinc/07/56/89/868075689.db2.gz KNCAUYVTBUACJQ-OLZOCXBDSA-N 0 3 309.341 1.769 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(N2CCN[C@@H](c3ccc(O)cc3)C2)n1 ZINC001164039749 868908086 /nfs/dbraw/zinc/90/80/86/868908086.db2.gz XBLKOCSEQOSHQT-GFCCVEGCSA-N 0 3 303.322 1.185 20 5 DDBDHN Cc1cccc(C(=O)N2CCC3(CC2)CNCCO3)c1[N+](=O)[O-] ZINC001341204703 871556675 /nfs/dbraw/zinc/55/66/75/871556675.db2.gz AIUHVLSGGBCAKW-UHFFFAOYSA-N 0 3 319.361 1.498 20 5 DDBDHN C[C@@H]1NC[C@H](C)N(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC001342628968 872305090 /nfs/dbraw/zinc/30/50/90/872305090.db2.gz JSZGOFKLQHOTDD-AVGNSLFASA-N 0 3 321.377 1.961 20 5 DDBDHN COCCN1CCC(Oc2cc3n[nH]cc3cc2[N+](=O)[O-])CC1 ZINC001230602000 884641476 /nfs/dbraw/zinc/64/14/76/884641476.db2.gz STNSIBRLKDQGAP-UHFFFAOYSA-N 0 3 320.349 1.961 20 5 DDBDHN C[C@H](CN1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001290769107 913507575 /nfs/dbraw/zinc/50/75/75/913507575.db2.gz IBDFYENJLRLJOQ-LLVKDONJSA-N 0 3 306.366 1.781 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCO[C@H](CN(C)C)C1 ZINC001254552450 896499231 /nfs/dbraw/zinc/49/92/31/896499231.db2.gz MDEZVKHMQDVBSU-UKRRQHHQSA-N 0 3 307.394 1.788 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(CC)C[C@H]2C)n1 ZINC000248684922 282099510 /nfs/dbraw/zinc/09/95/10/282099510.db2.gz YSHDXJJSJXCBME-VXGBXAGGSA-N 0 3 323.397 1.614 20 5 DDBDHN CN(C)[C@H]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000331616748 282263897 /nfs/dbraw/zinc/26/38/97/282263897.db2.gz PTMRPQWCFVBETP-JTQLQIEISA-N 0 3 302.334 1.852 20 5 DDBDHN CN1CC[C@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294423924 529803341 /nfs/dbraw/zinc/80/33/41/529803341.db2.gz GATYDGOCHQUQTF-GFCCVEGCSA-N 0 3 319.361 1.626 20 5 DDBDHN C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272773859 210179151 /nfs/dbraw/zinc/17/91/51/210179151.db2.gz XYOUQOCCGWOGKU-SNVBAGLBSA-N 0 3 305.338 1.762 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)CN(C)C)c1 ZINC000286925907 219228089 /nfs/dbraw/zinc/22/80/89/219228089.db2.gz IVRPQNBJNKVBCV-LBPRGKRZSA-N 0 3 309.366 1.738 20 5 DDBDHN COCCCN(CCOC)CCOc1cccc([N+](=O)[O-])c1 ZINC000054365852 352689467 /nfs/dbraw/zinc/68/94/67/352689467.db2.gz HVUMEERSJDNJNG-UHFFFAOYSA-N 0 3 312.366 1.959 20 5 DDBDHN CN(C)[C@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491476543 234179293 /nfs/dbraw/zinc/17/92/93/234179293.db2.gz AQHJRZZYZSIZDN-AGLBCWCQSA-N 0 3 307.325 1.910 20 5 DDBDHN Cc1c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000061650266 352893514 /nfs/dbraw/zinc/89/35/14/352893514.db2.gz GWNPRVCFQTYLCF-STQMWFEESA-N 0 3 319.361 1.496 20 5 DDBDHN Cc1cc(S(=O)(=O)[N-]CCC[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601283141 358478139 /nfs/dbraw/zinc/47/81/39/358478139.db2.gz PMRMSBHOKUVXMJ-UHFFFAOYSA-N 0 3 307.397 1.195 20 5 DDBDHN CC[C@H](CO)N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000075962637 353387914 /nfs/dbraw/zinc/38/79/14/353387914.db2.gz LFDNMNVEHLJOOL-CQSZACIVSA-N 0 3 323.393 1.362 20 5 DDBDHN CN(C)CCCS(=O)(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000601302347 358486181 /nfs/dbraw/zinc/48/61/81/358486181.db2.gz KQYQJCSGTZIFLO-UHFFFAOYSA-N 0 3 315.395 1.308 20 5 DDBDHN Cc1ccsc1[C@H](CO)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000494628039 235063566 /nfs/dbraw/zinc/06/35/66/235063566.db2.gz AHBJHBCUQXAKHZ-LBPRGKRZSA-N 0 3 323.374 1.450 20 5 DDBDHN CON1CCC(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000591504123 355322054 /nfs/dbraw/zinc/32/20/54/355322054.db2.gz MINMBJKHVCTHPI-UHFFFAOYSA-N 0 3 323.349 1.481 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000591534394 355324521 /nfs/dbraw/zinc/32/45/21/355324521.db2.gz AHTTUCVQQBOUDM-WFASDCNBSA-N 0 3 303.362 1.988 20 5 DDBDHN CO[C@H](CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000591722886 355370948 /nfs/dbraw/zinc/37/09/48/355370948.db2.gz AOJFGLCJMMEANI-HUUCEWRRSA-N 0 3 320.349 1.130 20 5 DDBDHN Cc1cc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000591740902 355375353 /nfs/dbraw/zinc/37/53/53/355375353.db2.gz FKQQBZQEAOATPX-UHFFFAOYSA-N 0 3 303.322 1.745 20 5 DDBDHN Cc1cc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000591740902 355375358 /nfs/dbraw/zinc/37/53/58/355375358.db2.gz FKQQBZQEAOATPX-UHFFFAOYSA-N 0 3 303.322 1.745 20 5 DDBDHN COc1cccc(C(=O)N2CCN[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000592248242 355546638 /nfs/dbraw/zinc/54/66/38/355546638.db2.gz XAXWQQNNUNTBOO-GFCCVEGCSA-N 0 3 307.350 1.673 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H]2CCOC[C@@H]2C)c1 ZINC000593027062 355773282 /nfs/dbraw/zinc/77/32/82/355773282.db2.gz JTVRXGGLSDGBCD-GWCFXTLKSA-N 0 3 308.334 1.896 20 5 DDBDHN CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000593070124 355786436 /nfs/dbraw/zinc/78/64/36/355786436.db2.gz QEOYVGDPXCAEGZ-ZDUSSCGKSA-N 0 3 309.341 1.829 20 5 DDBDHN C[C@@H](CO)C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000593080812 355788602 /nfs/dbraw/zinc/78/86/02/355788602.db2.gz FMYUJZFDCSVLNG-LBPRGKRZSA-N 0 3 309.366 1.097 20 5 DDBDHN O=c1[nH]ccc2c1CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000276961389 213204741 /nfs/dbraw/zinc/20/47/41/213204741.db2.gz PZAIOZWXQXMZAQ-OAHLLOKOSA-N 0 3 315.329 1.787 20 5 DDBDHN CNC(=O)c1ccc(N(C)CCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000593517432 355910863 /nfs/dbraw/zinc/91/08/63/355910863.db2.gz UNUCXGWWKBKXNZ-UHFFFAOYSA-N 0 3 320.393 1.877 20 5 DDBDHN CCOc1ccc([C@H](C)N[C@H]2C[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000593723953 355977107 /nfs/dbraw/zinc/97/71/07/355977107.db2.gz VPEJANURLUQSIL-ZMLRMANQSA-N 0 3 307.350 1.908 20 5 DDBDHN Cc1nn(C)c(C(=O)N2CCNC3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000594628973 356269193 /nfs/dbraw/zinc/26/91/93/356269193.db2.gz SCIJJYFABVYTKV-UHFFFAOYSA-N 0 3 321.381 1.385 20 5 DDBDHN CCOC(=O)[C@@H]1CC[C@H](C)N(CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000595554418 356547989 /nfs/dbraw/zinc/54/79/89/356547989.db2.gz NYLAREDPGGRZGY-OUCADQQQSA-N 0 3 324.381 1.843 20 5 DDBDHN COc1ccc(CNC(=O)C2(NC3CC3)CCC2)cc1[N+](=O)[O-] ZINC000595933795 356710962 /nfs/dbraw/zinc/71/09/62/356710962.db2.gz ZQHIPBFTVVPVJM-UHFFFAOYSA-N 0 3 319.361 1.894 20 5 DDBDHN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1=CCN(C)CC1 ZINC000596186505 356806131 /nfs/dbraw/zinc/80/61/31/356806131.db2.gz LILQSWMSGICHFX-SNVBAGLBSA-N 0 3 304.350 1.756 20 5 DDBDHN Nc1ccc(N2CCC(N3CCCOCC3)CC2)nc1[N+](=O)[O-] ZINC000596269340 356838934 /nfs/dbraw/zinc/83/89/34/356838934.db2.gz RNUNSSMMWLQIJH-UHFFFAOYSA-N 0 3 321.381 1.263 20 5 DDBDHN C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000597680587 357282346 /nfs/dbraw/zinc/28/23/46/357282346.db2.gz WYNCABKWTXFAGG-NSHDSACASA-N 0 3 322.365 1.248 20 5 DDBDHN C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000597680587 357282348 /nfs/dbraw/zinc/28/23/48/357282348.db2.gz WYNCABKWTXFAGG-NSHDSACASA-N 0 3 322.365 1.248 20 5 DDBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000598265355 357513996 /nfs/dbraw/zinc/51/39/96/357513996.db2.gz SKVCDCQPRXQYPI-LBPRGKRZSA-N 0 3 306.366 1.840 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CC3(CCOCC3)CC[C@H]2CO)c1 ZINC000599544294 357967583 /nfs/dbraw/zinc/96/75/83/357967583.db2.gz ZKAOVJMAYWXBGC-ZDUSSCGKSA-N 0 3 324.381 1.045 20 5 DDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1c[nH]nn1 ZINC000600176530 358147392 /nfs/dbraw/zinc/14/73/92/358147392.db2.gz IVXOAGDLPYJVDX-VIFPVBQESA-N 0 3 304.310 1.220 20 5 DDBDHN CN(C)CCN1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000600965576 358361009 /nfs/dbraw/zinc/36/10/09/358361009.db2.gz SJMBWWXIWRYBQN-UHFFFAOYSA-N 0 3 324.356 1.053 20 5 DDBDHN CC[C@@H]1CN(C)CCCN1c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000601192549 358440638 /nfs/dbraw/zinc/44/06/38/358440638.db2.gz WRZFDEIKWGJSEF-CYBMUJFWSA-N 0 3 320.393 1.875 20 5 DDBDHN Cc1cc(N2CCC(OCCN(C)C)CC2)ncc1[N+](=O)[O-] ZINC000348171973 283401622 /nfs/dbraw/zinc/40/16/22/283401622.db2.gz WYFHJIDHGABCMM-UHFFFAOYSA-N 0 3 308.382 1.845 20 5 DDBDHN Cn1c(C(=O)Nc2ccc3c(c2)OCCNC3)ccc1[N+](=O)[O-] ZINC000602551293 359040537 /nfs/dbraw/zinc/04/05/37/359040537.db2.gz HSMRUVSHWITSGD-UHFFFAOYSA-N 0 3 316.317 1.668 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCO)CCc1ccccc1 ZINC000602786169 359189940 /nfs/dbraw/zinc/18/99/40/359189940.db2.gz OKDTYORWMVEMKQ-UHFFFAOYSA-N 0 3 318.377 1.637 20 5 DDBDHN COC(=O)C1C[C@@H](C)N(CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602915308 359291700 /nfs/dbraw/zinc/29/17/00/359291700.db2.gz AIFPATSDKNWKKY-GHMZBOCLSA-N 0 3 324.381 1.762 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](n2ccnn2)CC1 ZINC000602892177 359275761 /nfs/dbraw/zinc/27/57/61/359275761.db2.gz MLBSMUKRWOIGQQ-ZDUSSCGKSA-N 0 3 319.369 1.418 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997844 359346811 /nfs/dbraw/zinc/34/68/11/359346811.db2.gz RXEPSEKECZRDHI-KKUMJFAQSA-N 0 3 321.377 1.382 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(CCCO)C1CC1 ZINC000612077641 360911895 /nfs/dbraw/zinc/91/18/95/360911895.db2.gz FYNUEMOPHGSLKS-ZDUSSCGKSA-N 0 3 310.350 1.181 20 5 DDBDHN CCOC(=O)[C@H](C)[C@@H](C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000274889851 212012060 /nfs/dbraw/zinc/01/20/60/212012060.db2.gz JEEWLVYOPVNILK-JTNHKYCSSA-N 0 3 310.350 1.806 20 5 DDBDHN COc1ccc(CN[C@H](C)[C@H](CO)SC)cc1[N+](=O)[O-] ZINC000152490218 248297053 /nfs/dbraw/zinc/29/70/53/248297053.db2.gz FMZUKHWXHQVROQ-RNCFNFMXSA-N 0 3 300.380 1.805 20 5 DDBDHN CN(C)CCN(C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000111150413 194396508 /nfs/dbraw/zinc/39/65/08/194396508.db2.gz ORSNJIZMORXGFF-UHFFFAOYSA-N 0 3 303.160 1.750 20 5 DDBDHN COc1cc(CNCCc2nnc(C)s2)c([N+](=O)[O-])cc1O ZINC000290022950 221386765 /nfs/dbraw/zinc/38/67/65/221386765.db2.gz ZTWISENIYBHGNZ-UHFFFAOYSA-N 0 3 324.362 1.801 20 5 DDBDHN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC1 ZINC000121848977 195360647 /nfs/dbraw/zinc/36/06/47/195360647.db2.gz DWVAZBZPNKPVMU-CYBMUJFWSA-N 0 3 320.393 1.208 20 5 DDBDHN CCN1CCN(C[C@@H](C)CNc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000121624880 195320022 /nfs/dbraw/zinc/32/00/22/195320022.db2.gz BFVHPNCNYMQYKK-ZDUSSCGKSA-N 0 3 321.425 1.984 20 5 DDBDHN CCN(CC)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccco1 ZINC000122437649 195451624 /nfs/dbraw/zinc/45/16/24/195451624.db2.gz KLZKWGXSGNUWAT-SNVBAGLBSA-N 0 3 321.337 1.724 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCOCCN(C)C ZINC000352899884 285373689 /nfs/dbraw/zinc/37/36/89/285373689.db2.gz GVRNPYAKLDDHOO-UHFFFAOYSA-N 0 3 324.381 1.911 20 5 DDBDHN C[C@@H](NC[C@H](O)C1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294686972 533430931 /nfs/dbraw/zinc/43/09/31/533430931.db2.gz IJQJHJDDHTTYCH-BMIGLBTASA-N 0 3 309.366 1.615 20 5 DDBDHN Cc1n[nH]c(C(=O)N(CCN(C)C)C2CCCC2)c1[N+](=O)[O-] ZINC000330741297 533658514 /nfs/dbraw/zinc/65/85/14/533658514.db2.gz RQWBTAPZQOPWCK-UHFFFAOYSA-N 0 3 309.370 1.573 20 5 DDBDHN Cc1[nH]nc(C(=O)N(CCN(C)C)C2CCCC2)c1[N+](=O)[O-] ZINC000330741297 533658526 /nfs/dbraw/zinc/65/85/26/533658526.db2.gz RQWBTAPZQOPWCK-UHFFFAOYSA-N 0 3 309.370 1.573 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCCC[NH2+]C1 ZINC000070120760 406808812 /nfs/dbraw/zinc/80/88/12/406808812.db2.gz IZBCTLDMPKVDTF-LLVKDONJSA-N 0 3 313.379 1.324 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1CC[NH2+]CC1 ZINC000044509074 407024984 /nfs/dbraw/zinc/02/49/84/407024984.db2.gz VRIXPOZOKPFRLO-UHFFFAOYSA-N 0 3 313.379 1.181 20 5 DDBDHN C[NH2+]CCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000123014562 407317381 /nfs/dbraw/zinc/31/73/81/407317381.db2.gz YNUZHWLJFLDPHC-UHFFFAOYSA-N 0 3 301.368 1.099 20 5 DDBDHN CC1CCN(CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000102332032 407321456 /nfs/dbraw/zinc/32/14/56/407321456.db2.gz VYVADPICJXMREA-UHFFFAOYSA-N 0 3 323.397 1.375 20 5 DDBDHN C[C@@H](CN1CCCCC1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000123713652 407336932 /nfs/dbraw/zinc/33/69/32/407336932.db2.gz HUUXPAMJXZTEMC-ZDUSSCGKSA-N 0 3 320.393 1.997 20 5 DDBDHN O=[N+]([O-])c1ccc(Cl)c(CNCC2(O)CCOCC2)c1 ZINC000112717350 407437390 /nfs/dbraw/zinc/43/73/90/407437390.db2.gz SVPVIAXQZGJVGE-UHFFFAOYSA-N 0 3 300.742 1.879 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000185774960 407499355 /nfs/dbraw/zinc/49/93/55/407499355.db2.gz AQKWFDRVPVZNHT-ZJUUUORDSA-N 0 3 307.354 1.189 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000185774960 407499362 /nfs/dbraw/zinc/49/93/62/407499362.db2.gz AQKWFDRVPVZNHT-ZJUUUORDSA-N 0 3 307.354 1.189 20 5 DDBDHN CC(C)N(CCN(C)C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000151862473 407516823 /nfs/dbraw/zinc/51/68/23/407516823.db2.gz FISAUNKFDLVKBK-UHFFFAOYSA-N 0 3 309.366 1.772 20 5 DDBDHN COCCN(C)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000171127661 407607576 /nfs/dbraw/zinc/60/75/76/407607576.db2.gz KCTUOGATBLIJHQ-UHFFFAOYSA-N 0 3 320.349 1.384 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)CC(N)=O ZINC000186217705 407609041 /nfs/dbraw/zinc/60/90/41/407609041.db2.gz QTOWCFXFCHFWCA-UHFFFAOYSA-N 0 3 308.338 1.085 20 5 DDBDHN C[C@@H]1CN(CCCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H](C)O1 ZINC000268041059 407865124 /nfs/dbraw/zinc/86/51/24/407865124.db2.gz XZQXSYICSFBCFK-VXGBXAGGSA-N 0 3 324.381 1.542 20 5 DDBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000118494668 407920023 /nfs/dbraw/zinc/92/00/23/407920023.db2.gz WUBQLYLMQQJZNM-SNVBAGLBSA-N 0 3 322.321 1.493 20 5 DDBDHN COCCOC[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154377239 408027761 /nfs/dbraw/zinc/02/77/61/408027761.db2.gz MJXZZJCNKWQYLU-CJNGLKHVSA-N 0 3 324.377 1.613 20 5 DDBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc([S@@](C)=O)cc1 ZINC000273021385 408020751 /nfs/dbraw/zinc/02/07/51/408020751.db2.gz SDAHYZZNKSPAQE-RKFFSXRUSA-N 0 3 322.390 1.880 20 5 DDBDHN CN(CCOCc1ccccc1)CCn1ccc([N+](=O)[O-])n1 ZINC000154712611 408073482 /nfs/dbraw/zinc/07/34/82/408073482.db2.gz IMLNNEIAWXTKLB-UHFFFAOYSA-N 0 3 304.350 1.940 20 5 DDBDHN C[C@@H]1CCC[C@@H](CO)N1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246258568 408194171 /nfs/dbraw/zinc/19/41/71/408194171.db2.gz KNVDZKVPTDSYKV-VHDGCEQUSA-N 0 3 324.377 1.570 20 5 DDBDHN CC[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N(C)C ZINC000125263426 161868375 /nfs/dbraw/zinc/86/83/75/161868375.db2.gz FNHHSCWJWNPDRP-YPMHNXCESA-N 0 3 321.381 1.343 20 5 DDBDHN CN(C)C[C@](C)(O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273471124 408213424 /nfs/dbraw/zinc/21/34/24/408213424.db2.gz OMTUQPHQFFJRPM-CYBMUJFWSA-N 0 3 314.317 1.168 20 5 DDBDHN COCCN(C)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000263802368 408265479 /nfs/dbraw/zinc/26/54/79/408265479.db2.gz TVSKRFHXOWNMJH-UHFFFAOYSA-N 0 3 320.349 1.384 20 5 DDBDHN CC(C)C[C@](C)(C[NH3+])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000155893256 408223615 /nfs/dbraw/zinc/22/36/15/408223615.db2.gz HWDZCCHUZCPUFJ-CYBMUJFWSA-N 0 3 315.395 1.637 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H](C)N(C)C ZINC000274246865 408339593 /nfs/dbraw/zinc/33/95/93/408339593.db2.gz HGNCKZDFZFIUMI-SNVBAGLBSA-N 0 3 322.365 1.216 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000269549186 408351665 /nfs/dbraw/zinc/35/16/65/408351665.db2.gz XJARPNMCFVNIPB-GHMZBOCLSA-N 0 3 323.397 1.854 20 5 DDBDHN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H](CN2CCOCC2)C1 ZINC000172940892 162311682 /nfs/dbraw/zinc/31/16/82/162311682.db2.gz XYVJLBNPFBYHTD-ZDUSSCGKSA-N 0 3 323.368 1.888 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCN2CCC[C@H](C)C2)n1 ZINC000191772693 408487788 /nfs/dbraw/zinc/48/77/88/408487788.db2.gz CYNJYGWUYIRUAQ-NSHDSACASA-N 0 3 309.370 1.273 20 5 DDBDHN C[C@H](O)[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000248584174 408592041 /nfs/dbraw/zinc/59/20/41/408592041.db2.gz QQHCYTHPSTUFMN-OUCADQQQSA-N 0 3 310.350 1.037 20 5 DDBDHN CC1(C)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000275544150 408595124 /nfs/dbraw/zinc/59/51/24/408595124.db2.gz ZLRIYRBXYMLJQS-ZFWWWQNUSA-N 0 3 324.377 1.427 20 5 DDBDHN CN(C)C1(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000275605413 408617061 /nfs/dbraw/zinc/61/70/61/408617061.db2.gz LSSGXKYOPTXGAB-UHFFFAOYSA-N 0 3 306.366 1.878 20 5 DDBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270761445 408669835 /nfs/dbraw/zinc/66/98/35/408669835.db2.gz MTKAFFZOLWEBHW-MNOVXSKESA-N 0 3 309.370 1.179 20 5 DDBDHN CCN(CCO)CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000185348428 408797262 /nfs/dbraw/zinc/79/72/62/408797262.db2.gz PYSMSUBTOLIZLK-UHFFFAOYSA-N 0 3 310.354 1.339 20 5 DDBDHN COc1cc(C(=O)NC[C@@H]2CCN(C)C2)cc([N+](=O)[O-])c1C ZINC000189208425 163089227 /nfs/dbraw/zinc/08/92/27/163089227.db2.gz OLVGBTGYXMZFMG-NSHDSACASA-N 0 3 307.350 1.593 20 5 DDBDHN CCc1nc(C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)n[nH]1 ZINC000190676485 163152339 /nfs/dbraw/zinc/15/23/39/163152339.db2.gz AAEDUSJJVBGPHY-UHFFFAOYSA-N 0 3 319.369 1.351 20 5 DDBDHN CCc1n[nH]c(C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000190676485 163152340 /nfs/dbraw/zinc/15/23/40/163152340.db2.gz AAEDUSJJVBGPHY-UHFFFAOYSA-N 0 3 319.369 1.351 20 5 DDBDHN CCc1nnc(C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)[nH]1 ZINC000190676485 163152341 /nfs/dbraw/zinc/15/23/41/163152341.db2.gz AAEDUSJJVBGPHY-UHFFFAOYSA-N 0 3 319.369 1.351 20 5 DDBDHN C[C@H]1COCC[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000277439629 408941468 /nfs/dbraw/zinc/94/14/68/408941468.db2.gz LFDRRGDPNRBGAF-FZMZJTMJSA-N 0 3 307.350 1.572 20 5 DDBDHN COc1ccc(C(=O)N2CC[C@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000292269744 409013141 /nfs/dbraw/zinc/01/31/41/409013141.db2.gz QARTYDXPLQBCIV-INIZCTEOSA-N 0 3 319.361 1.771 20 5 DDBDHN C[C@H]1CN(C2CCOCC2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000278814252 409094438 /nfs/dbraw/zinc/09/44/38/409094438.db2.gz SOUQIJLIJFPBQK-LBPRGKRZSA-N 0 3 306.366 1.679 20 5 DDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279486157 409224261 /nfs/dbraw/zinc/22/42/61/409224261.db2.gz RENRAPWRKUQVIZ-RNCFNFMXSA-N 0 3 324.356 1.728 20 5 DDBDHN CN(C)CCn1cc(NC(=O)CCC(C)(C)[N+](=O)[O-])ccc1=O ZINC000296182229 409455209 /nfs/dbraw/zinc/45/52/09/409455209.db2.gz BBYOODHLUBQKRR-UHFFFAOYSA-N 0 3 324.381 1.184 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CCC[NH3+] ZINC000313555684 164010678 /nfs/dbraw/zinc/01/06/78/164010678.db2.gz SPQIEVKOFGLKMV-JTQLQIEISA-N 0 3 301.368 1.309 20 5 DDBDHN COc1cc(NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000317768834 164029183 /nfs/dbraw/zinc/02/91/83/164029183.db2.gz QKAMYUGUZPNYOR-CHWSQXEVSA-N 0 3 307.350 1.879 20 5 DDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H]1CO ZINC000304220402 409581303 /nfs/dbraw/zinc/58/13/03/409581303.db2.gz INAKFEYRYIZXMR-GFCCVEGCSA-N 0 3 321.333 1.350 20 5 DDBDHN COc1c(C(=O)N(C)CCN(C)C2CC2)cccc1[N+](=O)[O-] ZINC000356776160 409595115 /nfs/dbraw/zinc/59/51/15/409595115.db2.gz JSVWPNLFLWGWCR-UHFFFAOYSA-N 0 3 307.350 1.770 20 5 DDBDHN C[C@@H](Sc1nnnn1CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000337954680 409595900 /nfs/dbraw/zinc/59/59/00/409595900.db2.gz JGIUPXOHSOJYOW-SNVBAGLBSA-N 0 3 322.394 1.996 20 5 DDBDHN Cc1ccc(NCCCNC(=O)C2(N)CCC2)c([N+](=O)[O-])c1 ZINC000296959450 409730325 /nfs/dbraw/zinc/73/03/25/409730325.db2.gz UJMSBIQHWLQKIW-UHFFFAOYSA-N 0 3 306.366 1.703 20 5 DDBDHN CCN(CCNC(=O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000338465843 410010864 /nfs/dbraw/zinc/01/08/64/410010864.db2.gz YRIJECOQGZWOLW-UHFFFAOYSA-N 0 3 307.350 1.574 20 5 DDBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000346722357 410110672 /nfs/dbraw/zinc/11/06/72/410110672.db2.gz RCAKOFBZHAHCJJ-NSHDSACASA-N 0 3 310.354 1.106 20 5 DDBDHN CN(C)CCOc1cccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000351966112 410378163 /nfs/dbraw/zinc/37/81/63/410378163.db2.gz WZHLLCBFGKFBJM-UHFFFAOYSA-N 0 3 319.321 1.511 20 5 DDBDHN C[C@H]1CCN(C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358408009 410461759 /nfs/dbraw/zinc/46/17/59/410461759.db2.gz GOLHVTBXCIUCER-NSHDSACASA-N 0 3 309.341 1.829 20 5 DDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000343621189 410577892 /nfs/dbraw/zinc/57/78/92/410577892.db2.gz HGEVEXOJJMCNAL-NEPJUHHUSA-N 0 3 318.377 1.757 20 5 DDBDHN Cc1c(Br)c(N2CC(N(C)C)C2)ncc1[N+](=O)[O-] ZINC000347452742 410559010 /nfs/dbraw/zinc/55/90/10/410559010.db2.gz RMHIDBHSCPTYOX-UHFFFAOYSA-N 0 3 315.171 1.811 20 5 DDBDHN C[C@@H]1[C@H](C)N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000343718213 410642695 /nfs/dbraw/zinc/64/26/95/410642695.db2.gz CZLLPQJUQRXBKB-HZSPNIEDSA-N 0 3 323.393 1.359 20 5 DDBDHN CN1CCC(Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301089890 410652810 /nfs/dbraw/zinc/65/28/10/410652810.db2.gz ZRAXUUNZIDJVNL-UHFFFAOYSA-N 0 3 303.322 1.750 20 5 DDBDHN NC(C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C(F)(F)F ZINC000352946921 410694150 /nfs/dbraw/zinc/69/41/50/410694150.db2.gz QBMKJXCDDALYFS-JTQLQIEISA-N 0 3 303.240 1.369 20 5 DDBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000330569428 410785625 /nfs/dbraw/zinc/78/56/25/410785625.db2.gz MCUIDYLCPHOQLE-QWHCGFSZSA-N 0 3 320.393 1.948 20 5 DDBDHN CN(C)Cc1cccc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])c1 ZINC000134480996 196395629 /nfs/dbraw/zinc/39/56/29/196395629.db2.gz KLNQWSYBJLRDDW-UHFFFAOYSA-N 0 3 303.322 1.310 20 5 DDBDHN C[C@@H](CC[NH+](C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000360655047 418485499 /nfs/dbraw/zinc/48/54/99/418485499.db2.gz WVCSOTRJYYBCSD-VIFPVBQESA-N 0 3 319.358 1.352 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)n1 ZINC000191648136 418522330 /nfs/dbraw/zinc/52/23/30/418522330.db2.gz SZZHSEVRIDOBES-MNOVXSKESA-N 0 3 307.354 1.120 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375057013 418597606 /nfs/dbraw/zinc/59/76/06/418597606.db2.gz DPTNQYBJAPRMEX-SWLSCSKDSA-N 0 3 319.361 1.526 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000375057010 418598007 /nfs/dbraw/zinc/59/80/07/418598007.db2.gz DPTNQYBJAPRMEX-DOMZBBRYSA-N 0 3 319.361 1.526 20 5 DDBDHN CNc1c(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000361220807 418607554 /nfs/dbraw/zinc/60/75/54/418607554.db2.gz MNRSOIYXDAIYCS-GFCCVEGCSA-N 0 3 318.377 1.945 20 5 DDBDHN CCO[C@@H]1C[C@@H](NCc2c([N+](=O)[O-])ncn2C)C12CCOCC2 ZINC000367566887 418611563 /nfs/dbraw/zinc/61/15/63/418611563.db2.gz SYVJPBYBMCAYBT-CHWSQXEVSA-N 0 3 324.381 1.392 20 5 DDBDHN CN(CC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000361353925 418632720 /nfs/dbraw/zinc/63/27/20/418632720.db2.gz JGDGPGWREBSERO-GFCCVEGCSA-N 0 3 318.377 1.384 20 5 DDBDHN COc1ccc(NC(=O)CCN2C[C@@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000411420296 418902635 /nfs/dbraw/zinc/90/26/35/418902635.db2.gz JIUDIBBQMPHMIF-MNOVXSKESA-N 0 3 323.349 1.387 20 5 DDBDHN C[C@H]1C[C@@H](O)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411758361 419400122 /nfs/dbraw/zinc/40/01/22/419400122.db2.gz NOIOCFHCQHWWOP-FZMZJTMJSA-N 0 3 307.350 1.769 20 5 DDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@H]1CCCN1C ZINC000421002727 419442235 /nfs/dbraw/zinc/44/22/35/419442235.db2.gz MOXRGLXWLLBSRP-CHWSQXEVSA-N 0 3 320.393 1.948 20 5 DDBDHN COc1ccc(OCCN2C[C@@H](O)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000421026670 419455805 /nfs/dbraw/zinc/45/58/05/419455805.db2.gz UODNIWIVZRKGLJ-NEPJUHHUSA-N 0 3 310.350 1.827 20 5 DDBDHN CCN(CCNC(=O)c1n[nH]cc1[N+](=O)[O-])CCC(F)(F)F ZINC000427266952 419629226 /nfs/dbraw/zinc/62/92/26/419629226.db2.gz MNIUHZNNJBBBGL-UHFFFAOYSA-N 0 3 323.275 1.322 20 5 DDBDHN CN(C)C[C@](C)(O)CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412203260 419720671 /nfs/dbraw/zinc/72/06/71/419720671.db2.gz GHXMUWSSRLSWEC-SQWLQELKSA-N 0 3 321.377 1.127 20 5 DDBDHN C[C@@H]1CCCCN1CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420591235 420325749 /nfs/dbraw/zinc/32/57/49/420325749.db2.gz XFYVQFMHHMEAGA-LLVKDONJSA-N 0 3 306.366 1.980 20 5 DDBDHN C[C@H](NC(=O)NC[C@@]1(O)CCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458894430 420756624 /nfs/dbraw/zinc/75/66/24/420756624.db2.gz YJCZUGXBDWYSHD-NHYWBVRUSA-N 0 3 322.365 1.022 20 5 DDBDHN C[C@H](NC(=O)NCCOCCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000458706364 420717923 /nfs/dbraw/zinc/71/79/23/420717923.db2.gz ZSEXWRSYUMJVDO-LBPRGKRZSA-N 0 3 324.381 1.533 20 5 DDBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000495857603 421077094 /nfs/dbraw/zinc/07/70/94/421077094.db2.gz VXEUIIZEJUYLRP-GHMZBOCLSA-N 0 3 316.354 1.842 20 5 DDBDHN COC(=O)Cc1ccc(N[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000450279456 421176446 /nfs/dbraw/zinc/17/64/46/421176446.db2.gz VHGUUFITBFQCBR-GFCCVEGCSA-N 0 3 319.361 1.959 20 5 DDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000515320430 421492683 /nfs/dbraw/zinc/49/26/83/421492683.db2.gz OWPDMEDIBZKLMK-YPMHNXCESA-N 0 3 306.366 1.632 20 5 DDBDHN Cc1c(C(=O)NC[C@]2(O)CN3CCC2CC3)cccc1[N+](=O)[O-] ZINC000552210599 421580540 /nfs/dbraw/zinc/58/05/40/421580540.db2.gz MEDSOFLSQPGGKS-INIZCTEOSA-N 0 3 319.361 1.090 20 5 DDBDHN CC1(C)CCCN(CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000567289864 421611300 /nfs/dbraw/zinc/61/13/00/421611300.db2.gz RRIGNTIMCUBKAU-UHFFFAOYSA-N 0 3 321.381 1.424 20 5 DDBDHN CNc1ccc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000531482990 421634603 /nfs/dbraw/zinc/63/46/03/421634603.db2.gz JXPUARZCZCYKNO-PWSUYJOCSA-N 0 3 318.377 1.992 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000542778313 421828684 /nfs/dbraw/zinc/82/86/84/421828684.db2.gz KUWDZIAQYYHDGQ-UKRRQHHQSA-N 0 3 318.377 1.830 20 5 DDBDHN CN1CC[C@H](Nc2ccc(N)c([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000590582374 422319877 /nfs/dbraw/zinc/31/98/77/422319877.db2.gz QUYRIZTUSIZDHK-ZFWWWQNUSA-N 0 3 313.361 2.429 20 5 DDBDHN CN1CC[C@@H](Nc2ccc(N)c([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000590582372 422320953 /nfs/dbraw/zinc/32/09/53/422320953.db2.gz QUYRIZTUSIZDHK-HIFRSBDPSA-N 0 3 313.361 2.429 20 5 DDBDHN Cc1n[nH]c(C(=O)NC[C@@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344673729 272086843 /nfs/dbraw/zinc/08/68/43/272086843.db2.gz MPZMOHGNPARIKT-JTQLQIEISA-N 0 3 309.370 1.477 20 5 DDBDHN CC(C)CN1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301937959 273513285 /nfs/dbraw/zinc/51/32/85/273513285.db2.gz SHAHZKVCZVHBCZ-UHFFFAOYSA-N 0 3 304.354 1.416 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CCC[C@@H]2CN2CCCC2)c1[N+](=O)[O-] ZINC000264194751 280187802 /nfs/dbraw/zinc/18/78/02/280187802.db2.gz OIXDPCHYZZQBJT-LLVKDONJSA-N 0 3 307.354 1.327 20 5 DDBDHN CN(C)CC(C)(C)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000457941690 282060252 /nfs/dbraw/zinc/06/02/52/282060252.db2.gz HQHAJWJTELNIQG-UHFFFAOYSA-N 0 3 308.382 1.777 20 5 DDBDHN CN(C)C1(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000416307097 289045107 /nfs/dbraw/zinc/04/51/07/289045107.db2.gz JALCOQACEAWTRW-UHFFFAOYSA-N 0 3 316.361 1.829 20 5 DDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000366498024 300706536 /nfs/dbraw/zinc/70/65/36/300706536.db2.gz AQFHQHOPCKZION-JQWIXIFHSA-N 0 3 322.340 1.599 20 5 DDBDHN CN1CCN(C[C@H]2CCCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000369028597 301122204 /nfs/dbraw/zinc/12/22/04/301122204.db2.gz XHQWPJFHGWCGLR-CQSZACIVSA-N 0 3 319.409 1.454 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCCC[C@H]2Cn2cccn2)n1 ZINC000370027047 301261429 /nfs/dbraw/zinc/26/14/29/301261429.db2.gz NMCWFPGRRKLTIT-ZDUSSCGKSA-N 0 3 304.354 1.543 20 5 DDBDHN COc1ccc(NC(=O)[C@@H](C)N2CCN[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000420340585 302383239 /nfs/dbraw/zinc/38/32/39/302383239.db2.gz SVOQWHSFZOKCJM-GHMZBOCLSA-N 0 3 322.365 1.224 20 5 DDBDHN CCO[C@H]1COCC[C@H]1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000362009972 307012357 /nfs/dbraw/zinc/01/23/57/307012357.db2.gz BQVQQWOWJMTAQA-DOMZBBRYSA-N 0 3 310.350 1.887 20 5 DDBDHN Cc1c(CN2CCN([C@@H]3CCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000363738551 307034878 /nfs/dbraw/zinc/03/48/78/307034878.db2.gz ZCGYVODJTJMQTE-IAGOWNOFSA-N 0 3 319.405 1.934 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000376575955 307248380 /nfs/dbraw/zinc/24/83/80/307248380.db2.gz XRRVOOGMXXXCEK-SWLSCSKDSA-N 0 3 318.377 1.997 20 5 DDBDHN COCCCN1CCCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000378140212 307282844 /nfs/dbraw/zinc/28/28/44/307282844.db2.gz SPVCFUPJMVQCLD-UHFFFAOYSA-N 0 3 308.382 1.847 20 5 DDBDHN CN1CC[C@H]2OCCN(c3nc4sccn4c3[N+](=O)[O-])[C@H]2C1 ZINC000408028070 307298418 /nfs/dbraw/zinc/29/84/18/307298418.db2.gz CJENSKMOUNEANE-VHSXEESVSA-N 0 3 323.378 1.213 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCCC[C@H]2C)n1 ZINC000427252854 307302946 /nfs/dbraw/zinc/30/29/46/307302946.db2.gz ZBACYSYQQBXXMY-NEPJUHHUSA-N 0 3 323.397 1.804 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)CNCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000565299743 308027553 /nfs/dbraw/zinc/02/75/53/308027553.db2.gz LGJFEVQOWUHJGV-DVOMOZLQSA-N 0 3 323.393 1.155 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC[C@H](F)C2)cc1 ZINC000566131432 308045684 /nfs/dbraw/zinc/04/56/84/308045684.db2.gz ZBFXMEYRPUUXND-WDEREUQCSA-N 0 3 316.354 1.849 20 5 DDBDHN COC(=O)c1cc(NC(=O)[C@@H]2C[C@H](C)CCN2)cc([N+](=O)[O-])c1 ZINC000422998207 533883360 /nfs/dbraw/zinc/88/33/60/533883360.db2.gz CPCBBABHLKBHEW-RNCFNFMXSA-N 0 3 321.333 1.708 20 5 DDBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)CCN1C ZINC000330790358 533896003 /nfs/dbraw/zinc/89/60/03/533896003.db2.gz AOGWGFBYFQORTF-NXEZZACHSA-N 0 3 307.354 1.127 20 5 DDBDHN Cc1nc(NCCN2CCN(C)C(C)(C)C2)ncc1[N+](=O)[O-] ZINC000296691722 534490003 /nfs/dbraw/zinc/49/00/03/534490003.db2.gz CYCNWUSMDNJKKH-UHFFFAOYSA-N 0 3 308.386 1.131 20 5 DDBDHN Cc1cccc(C(=O)NC[C@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000452345522 534608297 /nfs/dbraw/zinc/60/82/97/534608297.db2.gz FFOFPWADSJTUSW-CYBMUJFWSA-N 0 3 321.377 1.480 20 5 DDBDHN CCN1CC[C@@H](NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000412836461 527793266 /nfs/dbraw/zinc/79/32/66/527793266.db2.gz ISOHBVHTMUDFFQ-LLVKDONJSA-N 0 3 323.349 1.436 20 5 DDBDHN CCOC1(C)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000428729202 528449530 /nfs/dbraw/zinc/44/95/30/528449530.db2.gz MOMMKVCPEKGGCS-ZDUSSCGKSA-N 0 3 312.370 1.043 20 5 DDBDHN C[C@H]1CCC[N@@H+]1CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820715714 599083899 /nfs/dbraw/zinc/08/38/99/599083899.db2.gz DNGHYCJVMXTLAG-JTQLQIEISA-N 0 3 317.353 1.671 20 5 DDBDHN C[C@H]1CCC[N@H+]1CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820715714 599083902 /nfs/dbraw/zinc/08/39/02/599083902.db2.gz DNGHYCJVMXTLAG-JTQLQIEISA-N 0 3 317.353 1.671 20 5 DDBDHN CC[C@H](C)[N@H+](C)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736324695 598420491 /nfs/dbraw/zinc/42/04/91/598420491.db2.gz HPRQLMWGUMSUQN-JTQLQIEISA-N 0 3 319.369 1.917 20 5 DDBDHN CC[C@H](C)[N@@H+](C)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736324695 598420493 /nfs/dbraw/zinc/42/04/93/598420493.db2.gz HPRQLMWGUMSUQN-JTQLQIEISA-N 0 3 319.369 1.917 20 5 DDBDHN CC[C@H](C)[N@H+](C)CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736324695 598420495 /nfs/dbraw/zinc/42/04/95/598420495.db2.gz HPRQLMWGUMSUQN-JTQLQIEISA-N 0 3 319.369 1.917 20 5 DDBDHN CC[C@H](C)[N@@H+](C)CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736324695 598420496 /nfs/dbraw/zinc/42/04/96/598420496.db2.gz HPRQLMWGUMSUQN-JTQLQIEISA-N 0 3 319.369 1.917 20 5 DDBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000054534041 696276909 /nfs/dbraw/zinc/27/69/09/696276909.db2.gz YWZCOLXRMAYNJM-UHFFFAOYSA-N 0 3 322.321 1.635 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@H](n3cncn3)C2)cc1 ZINC000776879239 698145196 /nfs/dbraw/zinc/14/51/96/698145196.db2.gz SKVWYKBZUYXXPZ-KBPBESRZSA-N 0 3 303.322 1.167 20 5 DDBDHN COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000787328291 699206050 /nfs/dbraw/zinc/20/60/50/699206050.db2.gz QKQBRDZKFRECBF-HONMWMINSA-N 0 3 308.334 1.512 20 5 DDBDHN CCN1CCN(CCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804346415 701181336 /nfs/dbraw/zinc/18/13/36/701181336.db2.gz UIYGFDQOFSEBMC-UHFFFAOYSA-N 0 3 323.353 1.552 20 5 DDBDHN O=C1[C@@H](N[C@H](CO)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000771812344 701332367 /nfs/dbraw/zinc/33/23/67/701332367.db2.gz HMLNNPYFCUEOOS-UONOGXRCSA-N 0 3 305.334 1.061 20 5 DDBDHN O=C(CN[C@H](CO)C1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000771812831 701332410 /nfs/dbraw/zinc/33/24/10/701332410.db2.gz KCRRUKMQBZOBCV-LLVKDONJSA-N 0 3 313.741 1.547 20 5 DDBDHN COc1ccc(NC(=O)[C@@H](C)N[C@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000771817605 701332964 /nfs/dbraw/zinc/33/29/64/701332964.db2.gz HQVJPHLQMNBDML-NOZJJQNGSA-N 0 3 323.349 1.291 20 5 DDBDHN Cc1ccc(CNC(=O)CNC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000867996132 701879945 /nfs/dbraw/zinc/87/99/45/701879945.db2.gz QUGPSBCYUZCZCP-CYBMUJFWSA-N 0 3 307.350 1.288 20 5 DDBDHN CC(COC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C)[N+](=O)[O-] ZINC000813103391 702291822 /nfs/dbraw/zinc/29/18/22/702291822.db2.gz PRIMGXOXTJTJLF-IUCAKERBSA-N 0 3 307.306 1.285 20 5 DDBDHN CC(COC(=O)[C@H]1CSCN1C(=O)C(C)(C)C)[N+](=O)[O-] ZINC000813103767 702291977 /nfs/dbraw/zinc/29/19/77/702291977.db2.gz SSAZZTYYROIRFA-RKDXNWHRSA-N 0 3 304.368 1.142 20 5 DDBDHN CCn1nc(C(=O)OCC(C)[N+](=O)[O-])c(=O)c2ccccc21 ZINC000813105765 702292773 /nfs/dbraw/zinc/29/27/73/702292773.db2.gz UIBWBPKBUGKVHD-SECBINFHSA-N 0 3 305.290 1.238 20 5 DDBDHN CC(COC(=O)c1ccc2nnc(C(C)(C)C)n2c1)[N+](=O)[O-] ZINC000813111593 702297486 /nfs/dbraw/zinc/29/74/86/702297486.db2.gz VKVVBTGYDHEADT-SECBINFHSA-N 0 3 306.322 1.849 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H](CO)CC(F)(F)F)cc1 ZINC000843089418 702816317 /nfs/dbraw/zinc/81/63/17/702816317.db2.gz STZINOKUGFISFB-KOLCDFICSA-N 0 3 308.256 1.531 20 5 DDBDHN Cc1ccc([C@@H](O)CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000843089838 702816786 /nfs/dbraw/zinc/81/67/86/702816786.db2.gz TVHYKYVSQFWDMM-KGLIPLIRSA-N 0 3 306.318 1.853 20 5 DDBDHN Nc1ccc(-c2noc(C[C@@H]3CSCCN3)n2)cc1[N+](=O)[O-] ZINC000843169831 702832572 /nfs/dbraw/zinc/83/25/72/702832572.db2.gz SHFXAOBPWZNNMR-SECBINFHSA-N 0 3 321.362 1.475 20 5 DDBDHN CCCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000843987272 702949295 /nfs/dbraw/zinc/94/92/95/702949295.db2.gz DLDPBLSKNZATNL-GJZGRUSLSA-N 0 3 321.377 1.571 20 5 DDBDHN Cc1ccc(N2CCN(CCN(C)C)C(=O)C2)c([N+](=O)[O-])c1 ZINC000845632795 703185100 /nfs/dbraw/zinc/18/51/00/703185100.db2.gz BNPBCJOEZDMICK-UHFFFAOYSA-N 0 3 306.366 1.113 20 5 DDBDHN Nc1ccc(C(=O)N2CCNC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000848941896 703605573 /nfs/dbraw/zinc/60/55/73/703605573.db2.gz NDNNWRUKELBTIL-UHFFFAOYSA-N 0 3 318.377 1.925 20 5 DDBDHN CC(C)(O)CN1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000869786230 703853539 /nfs/dbraw/zinc/85/35/39/703853539.db2.gz XXYVNVJCTHRLEQ-LBPRGKRZSA-N 0 3 307.350 1.170 20 5 DDBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1N1CCOCC1 ZINC000870376254 704014943 /nfs/dbraw/zinc/01/49/43/704014943.db2.gz FBOKVAZMBATZMF-GFCCVEGCSA-N 0 3 308.334 1.654 20 5 DDBDHN CCN1CCN(CCC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000854496264 704407902 /nfs/dbraw/zinc/40/79/02/704407902.db2.gz CQBKREVRPGCUAO-UHFFFAOYSA-N 0 3 321.381 1.143 20 5 DDBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000855164306 704471938 /nfs/dbraw/zinc/47/19/38/704471938.db2.gz HZWMLGKGQDZONT-LLVKDONJSA-N 0 3 306.366 1.780 20 5 DDBDHN Cc1c(CNCC2(CS(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000873071752 707718727 /nfs/dbraw/zinc/71/87/27/707718727.db2.gz PVKWAIVHIIUHPY-UHFFFAOYSA-N 0 3 312.391 1.818 20 5 DDBDHN CN(CCO)CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000884825304 708388438 /nfs/dbraw/zinc/38/84/38/708388438.db2.gz PESXUNDSOUYFRZ-UHFFFAOYSA-N 0 3 305.281 1.532 20 5 DDBDHN COC(=O)[C@H]1CC12CCN(Cc1cccnc1[N+](=O)[O-])CC2 ZINC000886010940 708681688 /nfs/dbraw/zinc/68/16/88/708681688.db2.gz SWVFQBUHERIZCS-GFCCVEGCSA-N 0 3 305.334 1.765 20 5 DDBDHN CN(CCO)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000899728737 709178728 /nfs/dbraw/zinc/17/87/28/709178728.db2.gz VXPAUDBZGBKYEF-UHFFFAOYSA-N 0 3 323.374 1.463 20 5 DDBDHN Cc1c(NC(=O)C2CN(C3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000899935414 709243002 /nfs/dbraw/zinc/24/30/02/709243002.db2.gz KFZIMJJHRGJJLY-UHFFFAOYSA-N 0 3 319.361 1.953 20 5 DDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000892417921 710434018 /nfs/dbraw/zinc/43/40/18/710434018.db2.gz KGYDYGUNERFCSF-GJZGRUSLSA-N 0 3 318.377 1.973 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000928430891 713192292 /nfs/dbraw/zinc/19/22/92/713192292.db2.gz JUQJTQLZXFDYKF-AQNFWKISSA-N 0 3 303.362 1.907 20 5 DDBDHN O=[N+]([O-])c1cccnc1N1CCN(c2ccncc2CO)CC1 ZINC000894133861 710981050 /nfs/dbraw/zinc/98/10/50/710981050.db2.gz LSIRHUFYIVOWFA-UHFFFAOYSA-N 0 3 315.333 1.204 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000913930631 713321486 /nfs/dbraw/zinc/32/14/86/713321486.db2.gz KEDWXUQPKIHLSM-BXUZGUMPSA-N 0 3 321.381 1.399 20 5 DDBDHN O=[N+]([O-])CCN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000930849527 713937083 /nfs/dbraw/zinc/93/70/83/713937083.db2.gz NISJLVXVZGMSAN-HOTGVXAUSA-N 0 3 305.378 1.238 20 5 DDBDHN C[C@@H](NC[C@@H](O)COC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000932180615 714280108 /nfs/dbraw/zinc/28/01/08/714280108.db2.gz ASLNBIVQSVQECH-DAXOMENPSA-N 0 3 324.377 1.802 20 5 DDBDHN C[C@@H]1COC[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000932493416 714345634 /nfs/dbraw/zinc/34/56/34/714345634.db2.gz FYFRRPOIRYJCHB-MFKMUULPSA-N 0 3 305.334 1.108 20 5 DDBDHN C[C@H](c1nnc(N2CCN(C3CCCCC3)CC2)n1C)[N+](=O)[O-] ZINC001121296873 782447038 /nfs/dbraw/zinc/44/70/38/782447038.db2.gz LXRSHNIMCDIWIP-GFCCVEGCSA-N 0 3 322.413 1.608 20 5 DDBDHN CCN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)CN(C)C(C)C ZINC001106778559 746063666 /nfs/dbraw/zinc/06/36/66/746063666.db2.gz CJXKLKXJCNWVCO-UHFFFAOYSA-N 0 3 323.397 1.590 20 5 DDBDHN O=C(CC(F)(F)F)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001124421049 748210047 /nfs/dbraw/zinc/21/00/47/748210047.db2.gz YYTISSXBZQEHMX-UHFFFAOYSA-N 0 3 305.256 1.753 20 5 DDBDHN Cc1cc(C)nc(N2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169029650 762186567 /nfs/dbraw/zinc/18/65/67/762186567.db2.gz UXIWZTVSETUUEQ-CABCVRRESA-N 0 3 319.409 1.661 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cc(F)c[nH]1 ZINC001131462787 768143806 /nfs/dbraw/zinc/14/38/06/768143806.db2.gz FJEGGPXZKSDDCS-UHFFFAOYSA-N 0 3 306.297 1.582 20 5 DDBDHN C[C@@H](Nc1ncnc2cc(F)c([N+](=O)[O-])cc21)[C@H]1CNCCO1 ZINC001170563947 768160127 /nfs/dbraw/zinc/16/01/27/768160127.db2.gz OOAPCPYWVQKUPL-AMIZOPFISA-N 0 3 321.312 1.466 20 5 DDBDHN O=C(Cc1cnoc1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001132738381 769146968 /nfs/dbraw/zinc/14/69/68/769146968.db2.gz AZQWKUDZMZMARQ-UHFFFAOYSA-N 0 3 304.306 1.031 20 5 DDBDHN Cc1c[nH]c(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)n1 ZINC001135051823 771300382 /nfs/dbraw/zinc/30/03/82/771300382.db2.gz CCLZDAGCGNMOCP-UHFFFAOYSA-N 0 3 303.322 1.146 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)CN(C)C(C)C)n1 ZINC001094456656 775894799 /nfs/dbraw/zinc/89/47/99/775894799.db2.gz LJKWYKSWASNREH-UHFFFAOYSA-N 0 3 323.397 1.557 20 5 DDBDHN CCN(CCNC(=O)CN(C)C(C)C)c1ccc([N+](=O)[O-])cn1 ZINC001100546945 776293078 /nfs/dbraw/zinc/29/30/78/776293078.db2.gz ZZYVZCYLEQEUCL-UHFFFAOYSA-N 0 3 323.397 1.273 20 5 DDBDHN COC(=O)C1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906189 776916735 /nfs/dbraw/zinc/91/67/35/776916735.db2.gz WNYCGXWHZOHYLG-AWEZNQCLSA-N 0 3 304.346 1.947 20 5 DDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2nncn2CC1 ZINC001173219951 777052570 /nfs/dbraw/zinc/05/25/70/777052570.db2.gz ADLGVROIAJEPEF-GFCCVEGCSA-N 0 3 301.350 1.676 20 5 DDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1[n-]c(=O)c2c1CC[NH2+]C2 ZINC001173231245 777063941 /nfs/dbraw/zinc/06/39/41/777063941.db2.gz LCGCPZYMTWMHQL-JTQLQIEISA-N 0 3 302.334 1.946 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1COC[C@@H]1C ZINC001176355950 778132657 /nfs/dbraw/zinc/13/26/57/778132657.db2.gz PSBGAQMNZOHFJL-OUJBWJOFSA-N 0 3 323.349 1.555 20 5 DDBDHN CCN1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001178857451 779213262 /nfs/dbraw/zinc/21/32/62/779213262.db2.gz VLERTWXNAUWGJQ-CQSZACIVSA-N 0 3 321.377 1.820 20 5 DDBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(F)c[nH]1 ZINC001267403664 837999138 /nfs/dbraw/zinc/99/91/38/837999138.db2.gz MGYFWMKBYJAQHS-UHFFFAOYSA-N 0 3 320.324 1.924 20 5 DDBDHN COc1nc(-n2nc(CN)c3ccccc32)ncc1[N+](=O)[O-] ZINC001156855807 863400300 /nfs/dbraw/zinc/40/03/00/863400300.db2.gz HHZDSUGBJUENMG-UHFFFAOYSA-N 0 3 300.278 1.191 20 5 DDBDHN COc1nc(C)c([N+](=O)[O-])c(-n2nc(CN)c3ccccc32)n1 ZINC001156855442 863400457 /nfs/dbraw/zinc/40/04/57/863400457.db2.gz KABHVTHHYZNKTB-UHFFFAOYSA-N 0 3 314.305 1.499 20 5 DDBDHN Cc1cc(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)co1 ZINC001157062340 863545770 /nfs/dbraw/zinc/54/57/70/863545770.db2.gz AVSDCPCLSBIDHN-UHFFFAOYSA-N 0 3 321.337 1.139 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC001158784420 864906858 /nfs/dbraw/zinc/90/68/58/864906858.db2.gz FSPZDJAEJDTNSX-KOLCDFICSA-N 0 3 307.354 1.047 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC001158784420 864906862 /nfs/dbraw/zinc/90/68/62/864906862.db2.gz FSPZDJAEJDTNSX-KOLCDFICSA-N 0 3 307.354 1.047 20 5 DDBDHN Cc1cc(Cl)c([N+](=O)[O-])c(N[C@@H](C)[C@@H]2CNCCO2)n1 ZINC001159496603 865346346 /nfs/dbraw/zinc/34/63/46/865346346.db2.gz KMARNQSBCSORJP-WPRPVWTQSA-N 0 3 300.746 1.740 20 5 DDBDHN Cc1cc(Cl)nc(N[C@@H](C)[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159499699 865354563 /nfs/dbraw/zinc/35/45/63/865354563.db2.gz UYPMPPVSLOVATO-IUCAKERBSA-N 0 3 300.746 1.740 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-n1nccc1CN ZINC001162597805 867668558 /nfs/dbraw/zinc/66/85/58/867668558.db2.gz UKCBHBZVSMJJQT-UHFFFAOYSA-N 0 3 310.697 1.679 20 5 DDBDHN Cc1c(F)cnc(NCc2nnn3c2CNCCC3)c1[N+](=O)[O-] ZINC001162972922 867962747 /nfs/dbraw/zinc/96/27/47/867962747.db2.gz LSEQHVUORPZVHF-UHFFFAOYSA-N 0 3 321.316 1.134 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001335565334 868386851 /nfs/dbraw/zinc/38/68/51/868386851.db2.gz HYCRISVRUHFJHN-ZIAGYGMSSA-N 0 3 306.366 1.334 20 5 DDBDHN CC(C)(C)OC(=O)NC[C@H](NCC[N+](=O)[O-])C1CCCC1 ZINC001336244768 868813642 /nfs/dbraw/zinc/81/36/42/868813642.db2.gz GREGLRGGFWQCDA-LBPRGKRZSA-N 0 3 301.387 1.936 20 5 DDBDHN CC[C@H](C)N1CCN(c2nnc(CCC[N+](=O)[O-])n2CC)CC1 ZINC001339232815 870412576 /nfs/dbraw/zinc/41/25/76/870412576.db2.gz GKWIAVDEQAMMMG-ZDUSSCGKSA-N 0 3 324.429 1.428 20 5 DDBDHN COc1cc(C[NH2+]CC[C@@H]2CC(=O)N(C)C2)c([N+](=O)[O-])cc1[O-] ZINC001203706376 870720609 /nfs/dbraw/zinc/72/06/09/870720609.db2.gz IMFJPMXSJSXIFA-SNVBAGLBSA-N 0 3 323.349 1.267 20 5 DDBDHN Cc1cccc(C(=O)N2CC(N[C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001304084146 871185164 /nfs/dbraw/zinc/18/51/64/871185164.db2.gz MEYGQWTXXDBCHN-NSHDSACASA-N 0 3 305.334 1.106 20 5 DDBDHN C[C@@H]1NCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@H]1C ZINC001340923349 871427712 /nfs/dbraw/zinc/42/77/12/871427712.db2.gz QWUMGQVYOMKFMV-QWRGUYRKSA-N 0 3 309.341 1.875 20 5 DDBDHN COCCN(C)CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318836460 872294743 /nfs/dbraw/zinc/29/47/43/872294743.db2.gz DTIXZLZBFXRRGN-UHFFFAOYSA-N 0 3 322.365 1.198 20 5 DDBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2n[nH]c3c2CNC3)n1 ZINC001217210883 877142930 /nfs/dbraw/zinc/14/29/30/877142930.db2.gz IZQKHBCJSRUTCI-UHFFFAOYSA-N 0 3 317.240 1.172 20 5 DDBDHN COC(=O)c1cc(OC2CCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC001229940401 884240629 /nfs/dbraw/zinc/24/06/29/884240629.db2.gz CVOPVLAPJVKEJY-UHFFFAOYSA-N 0 3 312.297 1.994 20 5 DDBDHN OC[C@@H]1CN(Cc2ccc3ccc4cccnc4c3n2)C[C@H]1O ZINC001232219394 886166256 /nfs/dbraw/zinc/16/62/56/886166256.db2.gz TZIRRFBKKKXJGR-GOEBONIOSA-N 0 3 309.369 1.568 20 5 DDBDHN O=C(CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)NC1CCCC1 ZINC001254581802 896513805 /nfs/dbraw/zinc/51/38/05/896513805.db2.gz MYDYBHSDKBSCQX-CQSZACIVSA-N 0 3 303.362 1.710 20 5 DDBDHN COc1ccc(NC(=O)N2CC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000272857357 210251413 /nfs/dbraw/zinc/25/14/13/210251413.db2.gz RMVZCTBLWHAIHC-NSHDSACASA-N 0 3 308.338 1.771 20 5 DDBDHN CN1CC[C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC000272209565 282317325 /nfs/dbraw/zinc/31/73/25/282317325.db2.gz PXRNYWMHVZGYGQ-NXEZZACHSA-N 0 3 307.379 1.834 20 5 DDBDHN CN(C)CC(C)(C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000457210810 232015324 /nfs/dbraw/zinc/01/53/24/232015324.db2.gz QOEJWBULCOKUGK-UHFFFAOYSA-N 0 3 308.382 1.487 20 5 DDBDHN CN1CCC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000299605311 530062181 /nfs/dbraw/zinc/06/21/81/530062181.db2.gz YCZGWUDRDWCSAS-HNNXBMFYSA-N 0 3 318.377 1.338 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)CN1C ZINC000330860126 232120275 /nfs/dbraw/zinc/12/02/75/232120275.db2.gz VWMOXXFDSLBUBO-MCIONIFRSA-N 0 3 323.393 1.359 20 5 DDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@H](F)CN2)c1 ZINC000366482213 307074993 /nfs/dbraw/zinc/07/49/93/307074993.db2.gz YDKMMBKUIMMZGZ-IUCAKERBSA-N 0 3 313.354 1.747 20 5 DDBDHN Cc1c(NC(=O)NC[C@]2(O)CCN(C)C2)cccc1[N+](=O)[O-] ZINC000358444990 299153603 /nfs/dbraw/zinc/15/36/03/299153603.db2.gz WSFLGYIXUXMIBL-CQSZACIVSA-N 0 3 308.338 1.091 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1ccncc1 ZINC000343577027 282696664 /nfs/dbraw/zinc/69/66/64/282696664.db2.gz AFKCEEREJFBRMB-UHFFFAOYSA-N 0 3 300.318 1.562 20 5 DDBDHN CCc1n[nH]c(C(=O)NCCN2CCCC[C@@H]2CC)c1[N+](=O)[O-] ZINC000172163781 198049716 /nfs/dbraw/zinc/04/97/16/198049716.db2.gz VXRMJCCSSMJFBA-NSHDSACASA-N 0 3 323.397 1.875 20 5 DDBDHN C[C@H]1CCCCN1CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000047142667 352483172 /nfs/dbraw/zinc/48/31/72/352483172.db2.gz AXLSJEJYDGTUKW-NSHDSACASA-N 0 3 306.366 1.781 20 5 DDBDHN COCCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000048023420 352521174 /nfs/dbraw/zinc/52/11/74/352521174.db2.gz NUPHTBALNDPNRZ-CQSZACIVSA-N 0 3 310.350 1.445 20 5 DDBDHN COC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000053907368 352672027 /nfs/dbraw/zinc/67/20/27/352672027.db2.gz YOKLKZYBCCJLKP-ZDUSSCGKSA-N 0 3 310.350 1.445 20 5 DDBDHN CCN1CCC(N(C(=O)Cn2cc([N+](=O)[O-])cn2)C2CC2)CC1 ZINC000057371834 352812899 /nfs/dbraw/zinc/81/28/99/352812899.db2.gz NCBYRSPYTAUPFT-UHFFFAOYSA-N 0 3 321.381 1.267 20 5 DDBDHN COc1ccc(OCCN2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000173494232 198220885 /nfs/dbraw/zinc/22/08/85/198220885.db2.gz CKXUGPNEBCWTQG-UHFFFAOYSA-N 0 3 323.349 1.180 20 5 DDBDHN C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)N1CCC(C)CC1 ZINC000067269373 353040658 /nfs/dbraw/zinc/04/06/58/353040658.db2.gz VHCAVDGYGBKKMZ-CYBMUJFWSA-N 0 3 323.397 1.418 20 5 DDBDHN COC(=O)C(C)(C)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000093280903 353892061 /nfs/dbraw/zinc/89/20/61/353892061.db2.gz OCSYQBJWULVUSF-GFCCVEGCSA-N 0 3 324.381 1.703 20 5 DDBDHN CN1CC[C@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)[C@H]2C1 ZINC000585779640 354839603 /nfs/dbraw/zinc/83/96/03/354839603.db2.gz HPHVDOBKSKGTAJ-HZMBPMFUSA-N 0 3 306.366 1.200 20 5 DDBDHN CN(C)[C@@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000587857274 354886365 /nfs/dbraw/zinc/88/63/65/354886365.db2.gz FNHISMIYPMEWMZ-SNVBAGLBSA-N 0 3 303.322 1.384 20 5 DDBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000590344481 355074891 /nfs/dbraw/zinc/07/48/91/355074891.db2.gz TYXRBPVZCXPUKN-LLVKDONJSA-N 0 3 323.397 1.998 20 5 DDBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000590344481 355074892 /nfs/dbraw/zinc/07/48/92/355074892.db2.gz TYXRBPVZCXPUKN-LLVKDONJSA-N 0 3 323.397 1.998 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590442880 355096359 /nfs/dbraw/zinc/09/63/59/355096359.db2.gz HRYNJIYFQBPIJK-KOLCDFICSA-N 0 3 307.354 1.047 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590442880 355096361 /nfs/dbraw/zinc/09/63/61/355096361.db2.gz HRYNJIYFQBPIJK-KOLCDFICSA-N 0 3 307.354 1.047 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590442883 355096759 /nfs/dbraw/zinc/09/67/59/355096759.db2.gz HRYNJIYFQBPIJK-ONGXEEELSA-N 0 3 307.354 1.047 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590442883 355096763 /nfs/dbraw/zinc/09/67/63/355096763.db2.gz HRYNJIYFQBPIJK-ONGXEEELSA-N 0 3 307.354 1.047 20 5 DDBDHN CC(C)[C@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CCN1 ZINC000592543432 355622379 /nfs/dbraw/zinc/62/23/79/355622379.db2.gz AUMHHFYYHVZNMU-CYBMUJFWSA-N 0 3 320.393 1.487 20 5 DDBDHN CC(C)O[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000593055559 355781899 /nfs/dbraw/zinc/78/18/99/355781899.db2.gz LQBZPPXGOBDPGM-UONOGXRCSA-N 0 3 312.370 1.042 20 5 DDBDHN O=[N+]([O-])c1ccccc1CNC1CCN([C@H]2CCOC2)CC1 ZINC000594501973 356238773 /nfs/dbraw/zinc/23/87/73/356238773.db2.gz GNAVEBJPJOMEAZ-HNNXBMFYSA-N 0 3 305.378 1.938 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@]1(O)CCN(C)C1 ZINC000595032291 356374598 /nfs/dbraw/zinc/37/45/98/356374598.db2.gz MCVGCLPUDOIYEC-ABAIWWIYSA-N 0 3 309.366 1.321 20 5 DDBDHN C[C@H](NC[C@@]1(OCCO)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000595077937 356379058 /nfs/dbraw/zinc/37/90/58/356379058.db2.gz LKENRRMDUNWJEV-WFASDCNBSA-N 0 3 310.350 1.413 20 5 DDBDHN O=[N+]([O-])c1ccn(C2CCN(CCO[C@@H]3CC3(F)F)CC2)n1 ZINC000595478576 356509468 /nfs/dbraw/zinc/50/94/68/356509468.db2.gz ARXAXYYAIHHHKT-LLVKDONJSA-N 0 3 316.308 1.852 20 5 DDBDHN CC(C)NC(=O)[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595852037 356678379 /nfs/dbraw/zinc/67/83/79/356678379.db2.gz XDSVTKUGPDMXES-LBPRGKRZSA-N 0 3 309.370 1.028 20 5 DDBDHN CC1CCN(CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596076975 356764155 /nfs/dbraw/zinc/76/41/55/356764155.db2.gz FBAQOBSBURKNMQ-UHFFFAOYSA-N 0 3 306.366 1.838 20 5 DDBDHN COc1ccc(CC(=O)N2CCN[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000598569232 357635266 /nfs/dbraw/zinc/63/52/66/357635266.db2.gz BYWARHGQCYDNBC-ZDUSSCGKSA-N 0 3 321.377 1.602 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCc2nccc(N)c2C1 ZINC000598942409 357767889 /nfs/dbraw/zinc/76/78/89/357767889.db2.gz LOQXORIFNLSASW-UHFFFAOYSA-N 0 3 302.338 1.660 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000347975361 283312666 /nfs/dbraw/zinc/31/26/66/283312666.db2.gz HZIIGDBQCAKDMB-GFCCVEGCSA-N 0 3 306.366 1.901 20 5 DDBDHN COC(=O)c1cc(NC(=O)[C@@]2(C)CCCCN2)cc([N+](=O)[O-])c1 ZINC000180921462 199228451 /nfs/dbraw/zinc/22/84/51/199228451.db2.gz VLYDXVJLAGKICH-OAHLLOKOSA-N 0 3 321.333 1.852 20 5 DDBDHN C[C@H]1CN(CCO)CCN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601172729 358432465 /nfs/dbraw/zinc/43/24/65/358432465.db2.gz HOACFGCBXCGJGP-LBPRGKRZSA-N 0 3 316.361 1.646 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000601959801 358753406 /nfs/dbraw/zinc/75/34/06/358753406.db2.gz SHEDPSGHNMJXLX-HNNXBMFYSA-N 0 3 302.334 1.428 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000602550362 359040715 /nfs/dbraw/zinc/04/07/15/359040715.db2.gz BDTCNIJXZDKJSM-UHFFFAOYSA-N 0 3 316.317 1.668 20 5 DDBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)C1(S(C)(=O)=O)CC1 ZINC000602661710 359108036 /nfs/dbraw/zinc/10/80/36/359108036.db2.gz KJAOXAQTSDHLJZ-NSHDSACASA-N 0 3 312.391 1.693 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](Cn2ccnn2)C1 ZINC000602797809 359199518 /nfs/dbraw/zinc/19/95/18/359199518.db2.gz DOBVEGQYLQRIPK-ZDUSSCGKSA-N 0 3 319.369 1.103 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997843 359346542 /nfs/dbraw/zinc/34/65/42/359346542.db2.gz RXEPSEKECZRDHI-KFWWJZLASA-N 0 3 321.377 1.382 20 5 DDBDHN Cc1ccc(NCCCNC(=O)[C@H]2C[C@H](F)CN2)c([N+](=O)[O-])c1 ZINC000188608388 200273780 /nfs/dbraw/zinc/27/37/80/200273780.db2.gz AZOCGJMQQXSDCL-WCQYABFASA-N 0 3 324.356 1.521 20 5 DDBDHN C[C@@H]1CCN(CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610395584 360425323 /nfs/dbraw/zinc/42/53/23/360425323.db2.gz JTBJGWDGXNKHMQ-GFCCVEGCSA-N 0 3 321.377 1.797 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000610712469 360512357 /nfs/dbraw/zinc/51/23/57/360512357.db2.gz BWNUIPZHLWDQTB-GXFFZTMASA-N 0 3 321.381 1.125 20 5 DDBDHN C[C@]1(CO)CCC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000351525464 284361925 /nfs/dbraw/zinc/36/19/25/284361925.db2.gz SKMZSYQXKOZZBE-UKRRQHHQSA-N 0 3 307.350 1.674 20 5 DDBDHN COC(=O)CC[C@H](N)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000288507484 220186179 /nfs/dbraw/zinc/18/61/79/220186179.db2.gz BQLGDWCWDQEJKD-JQWIXIFHSA-N 0 3 323.349 1.361 20 5 DDBDHN COCCN(CCN(C)C)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153718240 248301288 /nfs/dbraw/zinc/30/12/88/248301288.db2.gz MWXUXXUOUZEYRC-UHFFFAOYSA-N 0 3 324.381 1.945 20 5 DDBDHN Cc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c(CN(C)C)c1 ZINC000158227042 197255417 /nfs/dbraw/zinc/25/54/17/197255417.db2.gz LIKYILXVRSZDCM-UHFFFAOYSA-N 0 3 303.322 1.940 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H]1Cc2cccc(O)c2C1 ZINC000429301275 285221811 /nfs/dbraw/zinc/22/18/11/285221811.db2.gz LCWMGCPXQMTJFJ-LBPRGKRZSA-N 0 3 315.329 1.219 20 5 DDBDHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000289679220 221149732 /nfs/dbraw/zinc/14/97/32/221149732.db2.gz VFGXCJHSQSJODT-LLVKDONJSA-N 0 3 315.395 1.602 20 5 DDBDHN Cc1ccc(CN[C@@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000295035222 224393146 /nfs/dbraw/zinc/39/31/46/224393146.db2.gz DMOOQPKSAURVRD-OAHLLOKOSA-N 0 3 307.394 1.840 20 5 DDBDHN C[C@@H](NC[C@@H](O)c1cnn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294640351 533415862 /nfs/dbraw/zinc/41/58/62/533415862.db2.gz GHIQXAKNWXQHQZ-YMTOWFKASA-N 0 3 305.338 1.295 20 5 DDBDHN C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@@H](C)CN1 ZINC000568858478 304316335 /nfs/dbraw/zinc/31/63/35/304316335.db2.gz DJLTYQUGROUXJA-BDAKNGLRSA-N 0 3 303.322 1.430 20 5 DDBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cncc(F)c1 ZINC000361135094 299805581 /nfs/dbraw/zinc/80/55/81/299805581.db2.gz KBTRKXLOZLNOCO-TVQRCGJNSA-N 0 3 309.301 1.037 20 5 DDBDHN COCCN(C)CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000068336845 406633149 /nfs/dbraw/zinc/63/31/49/406633149.db2.gz IGTGBAFALUPENP-BQYQJAHWSA-N 0 3 307.350 1.302 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]([NH3+])C(C)C ZINC000070447449 406817071 /nfs/dbraw/zinc/81/70/71/406817071.db2.gz LTQKDZCALDOOLC-JTQLQIEISA-N 0 3 301.368 1.165 20 5 DDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000074137811 406902877 /nfs/dbraw/zinc/90/28/77/406902877.db2.gz WCVPUIDYCJZLLB-ZDUSSCGKSA-N 0 3 320.393 1.208 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCC[NH2+]1 ZINC000053254413 407165030 /nfs/dbraw/zinc/16/50/30/407165030.db2.gz WCBICELUQZQFPO-SECBINFHSA-N 0 3 319.770 1.279 20 5 DDBDHN COCCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000054353622 407183182 /nfs/dbraw/zinc/18/31/82/407183182.db2.gz HTNQFYOOUPPZBR-UHFFFAOYSA-N 0 3 311.338 1.510 20 5 DDBDHN CCN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000124448404 407359198 /nfs/dbraw/zinc/35/91/98/407359198.db2.gz CFAYHVIQYSGRED-UHFFFAOYSA-N 0 3 320.393 1.271 20 5 DDBDHN CCN1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000124514904 407360675 /nfs/dbraw/zinc/36/06/75/407360675.db2.gz QHJJELSDNLYTRY-UHFFFAOYSA-N 0 3 309.341 1.877 20 5 DDBDHN COC(=O)C(C)(C)CN[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000151803813 407502297 /nfs/dbraw/zinc/50/22/97/407502297.db2.gz CBEHHQCCRLOHEE-JTQLQIEISA-N 0 3 323.349 1.711 20 5 DDBDHN C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000186487629 407679753 /nfs/dbraw/zinc/67/97/53/407679753.db2.gz AEUAVUKWMKYAIH-YGRLFVJLSA-N 0 3 317.349 1.739 20 5 DDBDHN COc1cc(CNC[C@@H]2CCCN2C)c([N+](=O)[O-])cc1OC ZINC000237242204 407807412 /nfs/dbraw/zinc/80/74/12/407807412.db2.gz CUPRTEHPFSMQJY-LBPRGKRZSA-N 0 3 309.366 1.796 20 5 DDBDHN COC[C@H](O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000117946353 407873125 /nfs/dbraw/zinc/87/31/25/407873125.db2.gz YFJMKSXDCYDUOY-CYBMUJFWSA-N 0 3 306.318 1.952 20 5 DDBDHN C[C@H](NC[C@H](O)COC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000180428557 407887903 /nfs/dbraw/zinc/88/79/03/407887903.db2.gz IXBLNTIZCAZINJ-RCBQFDQVSA-N 0 3 324.377 1.802 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN(C)C(C)C ZINC000188142991 407918586 /nfs/dbraw/zinc/91/85/86/407918586.db2.gz DOTFCWOROZBHBC-UHFFFAOYSA-N 0 3 315.395 1.522 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(C3OCCO3)CC2)c1 ZINC000153920090 407933438 /nfs/dbraw/zinc/93/34/38/407933438.db2.gz DROVTNNXWJUQGC-OAHLLOKOSA-N 0 3 322.361 1.713 20 5 DDBDHN CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)(C)O ZINC000268505721 408073272 /nfs/dbraw/zinc/07/32/72/408073272.db2.gz BEJDHNNMDPOWNZ-UHFFFAOYSA-N 0 3 309.366 1.677 20 5 DDBDHN COc1cc(C(=O)N2CC[C@H](N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000170856122 162195386 /nfs/dbraw/zinc/19/53/86/162195386.db2.gz IPYNRHBTCILKRG-JTQLQIEISA-N 0 3 323.349 1.388 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000171447395 162219012 /nfs/dbraw/zinc/21/90/12/162219012.db2.gz MLXJUZOKJCKVMP-CYBMUJFWSA-N 0 3 319.361 1.914 20 5 DDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000247311822 408450602 /nfs/dbraw/zinc/45/06/02/408450602.db2.gz HMGIBVXCJZTOJJ-IUODEOHRSA-N 0 3 321.377 1.772 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCCN(c3ccccn3)CC2)n1 ZINC000183833107 408499238 /nfs/dbraw/zinc/49/92/38/408499238.db2.gz CXKJGGOIKBEOSC-UHFFFAOYSA-N 0 3 316.365 1.399 20 5 DDBDHN CCN(CCO)CCNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000183985440 408525754 /nfs/dbraw/zinc/52/57/54/408525754.db2.gz WWJDBSVIQVOCRK-OUKQBFOZSA-N 0 3 321.377 1.429 20 5 DDBDHN Cc1ccc(CN(C)C)cc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000177304606 408574912 /nfs/dbraw/zinc/57/49/12/408574912.db2.gz SQBSYTLIXXVRCM-UHFFFAOYSA-N 0 3 317.349 1.800 20 5 DDBDHN C[C@H](c1ccccn1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270680761 408633562 /nfs/dbraw/zinc/63/35/62/408633562.db2.gz URCSPOHINMCOLU-YPMHNXCESA-N 0 3 305.338 1.240 20 5 DDBDHN CC[C@H](N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161976733 408658636 /nfs/dbraw/zinc/65/86/36/408658636.db2.gz KJKHUIIIXYAYII-AWEZNQCLSA-N 0 3 307.350 1.702 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C[NH3+])C2CC2)c1[N+](=O)[O-] ZINC000193294232 408708495 /nfs/dbraw/zinc/70/84/95/408708495.db2.gz TYIUNYNLYPACMT-NSHDSACASA-N 0 3 313.379 1.227 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CNCC[C@H]1C ZINC000193398614 408716994 /nfs/dbraw/zinc/71/69/94/408716994.db2.gz WVZPRUIPQATBIB-BXKDBHETSA-N 0 3 313.379 1.180 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1=CCN(C)CC1 ZINC000275831882 408689373 /nfs/dbraw/zinc/68/93/73/408689373.db2.gz YMZWJAJCLJAMAZ-UHFFFAOYSA-N 0 3 320.349 1.987 20 5 DDBDHN COCCN1CCC(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000194426512 408782474 /nfs/dbraw/zinc/78/24/74/408782474.db2.gz KITNLFBYQUJVKI-UHFFFAOYSA-N 0 3 321.377 1.744 20 5 DDBDHN COC(=O)c1cnc(N[C@H]2CCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000276553291 408881770 /nfs/dbraw/zinc/88/17/70/408881770.db2.gz KODXESWOJLJMHU-NSHDSACASA-N 0 3 308.338 1.671 20 5 DDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCN2CCC1CC2 ZINC000188848111 163073317 /nfs/dbraw/zinc/07/33/17/163073317.db2.gz XMPPBLZRHSSZPE-UHFFFAOYSA-N 0 3 319.361 1.670 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000277638640 408982482 /nfs/dbraw/zinc/98/24/82/408982482.db2.gz TUHZCGDKHVQUOJ-HZMBPMFUSA-N 0 3 319.361 1.816 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000277833039 409020145 /nfs/dbraw/zinc/02/01/45/409020145.db2.gz IIGRLRWSEGUVDZ-ZDUSSCGKSA-N 0 3 321.381 1.233 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000293425310 409111070 /nfs/dbraw/zinc/11/10/70/409111070.db2.gz NIWCFUDNCHPELC-HZSPNIEDSA-N 0 3 323.393 1.359 20 5 DDBDHN CC(C)(C)N(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000283292916 409130219 /nfs/dbraw/zinc/13/02/19/409130219.db2.gz MSTPOZIUTSWEQQ-UHFFFAOYSA-N 0 3 322.365 1.509 20 5 DDBDHN CC[C@@H](NC(=O)[C@@H](N)CCC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000288830873 409184975 /nfs/dbraw/zinc/18/49/75/409184975.db2.gz UZVWDRFEWQFCIA-QWHCGFSZSA-N 0 3 323.349 1.443 20 5 DDBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(C)CO ZINC000295164059 409350863 /nfs/dbraw/zinc/35/08/63/409350863.db2.gz FRTXTPVWMKNYMN-ZDUSSCGKSA-N 0 3 312.366 1.285 20 5 DDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295389142 409460956 /nfs/dbraw/zinc/46/09/56/409460956.db2.gz KZODMTYQMSYXRX-JYJNAYRXSA-N 0 3 321.377 1.033 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CCC[NH3+])cc1C ZINC000314169121 164013263 /nfs/dbraw/zinc/01/32/63/164013263.db2.gz NBPRCHPZVNMQOL-LLVKDONJSA-N 0 3 315.395 1.617 20 5 DDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000318746110 164033540 /nfs/dbraw/zinc/03/35/40/164033540.db2.gz YGRJQQHAHLLALN-JTQLQIEISA-N 0 3 310.329 1.482 20 5 DDBDHN CNc1c(C(=O)N2CC[C@]3(CCN(C)C3)C2)cccc1[N+](=O)[O-] ZINC000324009200 164049253 /nfs/dbraw/zinc/04/92/53/164049253.db2.gz NQLAIUFRNHSLCE-INIZCTEOSA-N 0 3 318.377 1.804 20 5 DDBDHN C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](C)CN1C ZINC000408075846 164220058 /nfs/dbraw/zinc/22/00/58/164220058.db2.gz ZYLWWTSLUVZGDQ-UWVGGRQHSA-N 0 3 317.349 1.636 20 5 DDBDHN CCN(C)C(=O)[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000296451089 409559799 /nfs/dbraw/zinc/55/97/99/409559799.db2.gz WNRMNDLJBUKSPA-GJZGRUSLSA-N 0 3 323.393 1.721 20 5 DDBDHN CN(C[C@H]1CCCN(C)C1)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342406695 409602288 /nfs/dbraw/zinc/60/22/88/409602288.db2.gz HWYPSNYELUMMQM-NSHDSACASA-N 0 3 306.366 1.472 20 5 DDBDHN CN(C)C[C@@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000357099119 409872734 /nfs/dbraw/zinc/87/27/34/409872734.db2.gz URPWJGDLHQTNJO-ZDUSSCGKSA-N 0 3 309.341 1.829 20 5 DDBDHN CCN1CC[C@@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000339389467 410150442 /nfs/dbraw/zinc/15/04/42/410150442.db2.gz CCSAYMMOILPBAN-HOTGVXAUSA-N 0 3 305.378 1.890 20 5 DDBDHN Cc1cccc(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000298236615 410144674 /nfs/dbraw/zinc/14/46/74/410144674.db2.gz IJHGZKDSSORGMO-INIZCTEOSA-N 0 3 318.377 1.901 20 5 DDBDHN CC1CCN(CCNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298764091 410390260 /nfs/dbraw/zinc/39/02/60/410390260.db2.gz AFKPJOWWOSUMFZ-UHFFFAOYSA-N 0 3 321.377 1.822 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343609415 410567549 /nfs/dbraw/zinc/56/75/49/410567549.db2.gz SJUUGEFOEVFGRD-AAEUAGOBSA-N 0 3 306.366 1.877 20 5 DDBDHN CCCN1CCC[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000343583945 410552716 /nfs/dbraw/zinc/55/27/16/410552716.db2.gz ZIULSRCPHGZWRU-GFCCVEGCSA-N 0 3 323.397 1.517 20 5 DDBDHN CCN1CCC(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000330440576 410693789 /nfs/dbraw/zinc/69/37/89/410693789.db2.gz OTLQZOIYCXAVJB-UHFFFAOYSA-N 0 3 309.370 1.127 20 5 DDBDHN Cc1nn(C)c(N2CCC(CN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000301250449 410683324 /nfs/dbraw/zinc/68/33/24/410683324.db2.gz CXODTBXHKCLRNN-UHFFFAOYSA-N 0 3 323.397 1.185 20 5 DDBDHN CC(C)CN(C(=O)c1c([N+](=O)[O-])cnn1C)C1CCN(C)CC1 ZINC000330585914 410800923 /nfs/dbraw/zinc/80/09/23/410800923.db2.gz XCSUWUZVWZPTPI-UHFFFAOYSA-N 0 3 323.397 1.521 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(C)(C)C(C)(C)O ZINC000356257408 410925832 /nfs/dbraw/zinc/92/58/32/410925832.db2.gz UGIIDUGYCUFPNM-UHFFFAOYSA-N 0 3 309.366 1.981 20 5 DDBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3c([N+](=O)[O-])ncn3C)[C@@H]2C1 ZINC000344121219 410970868 /nfs/dbraw/zinc/97/08/68/410970868.db2.gz SROWEOZZHYDDFD-XQQFMLRXSA-N 0 3 321.381 1.065 20 5 DDBDHN C[C@@H]1C[C@H](CO)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000344133177 410979229 /nfs/dbraw/zinc/97/92/29/410979229.db2.gz PVXWHSINWAOKJG-MGPQQGTHSA-N 0 3 324.377 1.427 20 5 DDBDHN COc1cccc(C(=O)N(C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000331222647 411025620 /nfs/dbraw/zinc/02/56/20/411025620.db2.gz KZHIXQQDRICNPJ-UHFFFAOYSA-N 0 3 307.350 1.770 20 5 DDBDHN Cc1c(CC(=O)N[C@@H]2CCN(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331426581 411084644 /nfs/dbraw/zinc/08/46/44/411084644.db2.gz VCCZXDJVSPJGCL-CYBMUJFWSA-N 0 3 303.362 1.799 20 5 DDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000356459637 411041710 /nfs/dbraw/zinc/04/17/10/411041710.db2.gz CCYSYHFZNZNSKL-LLVKDONJSA-N 0 3 307.354 1.029 20 5 DDBDHN O=[N+]([O-])c1ccn(C2CCN(CCOC[C@@H]3CCCO3)CC2)n1 ZINC000580145131 422892475 /nfs/dbraw/zinc/89/24/75/422892475.db2.gz VYSIGRKHZWICRN-AWEZNQCLSA-N 0 3 324.381 1.624 20 5 DDBDHN CS[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000271628941 209076121 /nfs/dbraw/zinc/07/61/21/209076121.db2.gz NINLTHNWWAMWJU-STQMWFEESA-N 0 3 324.406 1.176 20 5 DDBDHN CO[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1(C)C ZINC000295908390 225368065 /nfs/dbraw/zinc/36/80/65/225368065.db2.gz HJGRIXHMGOEQPN-ZDUSSCGKSA-N 0 3 309.366 1.503 20 5 DDBDHN C[C@H]1CCOCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000374992223 418586504 /nfs/dbraw/zinc/58/65/04/418586504.db2.gz WLEHDDKDNVWDMB-GXTWGEPZSA-N 0 3 310.350 1.445 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000338646130 418620412 /nfs/dbraw/zinc/62/04/12/418620412.db2.gz CLQBMKQMDYXPEU-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000371559687 418800868 /nfs/dbraw/zinc/80/08/68/418800868.db2.gz AHDIACKQTAIOBH-GWCFXTLKSA-N 0 3 304.350 1.343 20 5 DDBDHN COc1cc(N2CCCN([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000364954103 418828240 /nfs/dbraw/zinc/82/82/40/418828240.db2.gz JLGDKYDOJOHHQG-LBPRGKRZSA-N 0 3 309.366 1.496 20 5 DDBDHN CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000411763643 419399736 /nfs/dbraw/zinc/39/97/36/419399736.db2.gz ZLKOUKRSHVYGMB-UHFFFAOYSA-N 0 3 308.338 1.121 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](CCO)CC1 ZINC000421008006 419443707 /nfs/dbraw/zinc/44/37/07/419443707.db2.gz CXJLJVBUCSCBLY-ZDUSSCGKSA-N 0 3 309.366 1.241 20 5 DDBDHN COc1ccc(CN[C@@H](CO)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000411993537 419552239 /nfs/dbraw/zinc/55/22/39/419552239.db2.gz LNHJITFQZPTNJN-OLZOCXBDSA-N 0 3 310.350 1.481 20 5 DDBDHN CC[C@H](O)CNCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000422123310 419849709 /nfs/dbraw/zinc/84/97/09/419849709.db2.gz RLAXHZHVHZQPJI-NSHDSACASA-N 0 3 312.322 1.007 20 5 DDBDHN CCOC1(C)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000428729201 419920679 /nfs/dbraw/zinc/92/06/79/419920679.db2.gz MOMMKVCPEKGGCS-CYBMUJFWSA-N 0 3 312.370 1.043 20 5 DDBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H]3CNCCO3)o2)c1 ZINC000415095710 419941647 /nfs/dbraw/zinc/94/16/47/419941647.db2.gz NTDHKMWCJDVLEJ-HNNXBMFYSA-N 0 3 317.345 1.933 20 5 DDBDHN C[C@@H]1CC[C@H](N(CCO)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000429794232 420049323 /nfs/dbraw/zinc/04/93/23/420049323.db2.gz WTQKGLWUFBGJIV-RISCZKNCSA-N 0 3 321.377 1.677 20 5 DDBDHN CCCC[C@H](N)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423828418 420213958 /nfs/dbraw/zinc/21/39/58/420213958.db2.gz QAQQOMYGFJJCPO-LBPRGKRZSA-N 0 3 309.370 1.472 20 5 DDBDHN C[C@@H]1CCN[C@@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000423830168 420215279 /nfs/dbraw/zinc/21/52/79/420215279.db2.gz TWKWKVXVBANWRW-DGCLKSJQSA-N 0 3 321.381 1.343 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N(C)[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000433775382 420254009 /nfs/dbraw/zinc/25/40/09/420254009.db2.gz QUPDZYUWPHOVHM-NSHDSACASA-N 0 3 321.381 1.750 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000433775382 420254013 /nfs/dbraw/zinc/25/40/13/420254013.db2.gz QUPDZYUWPHOVHM-NSHDSACASA-N 0 3 321.381 1.750 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CCC[NH3+])c1C ZINC000420442170 420289998 /nfs/dbraw/zinc/28/99/98/420289998.db2.gz PNSZETDMRDICEI-SNVBAGLBSA-N 0 3 315.395 1.617 20 5 DDBDHN O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@H](c4nc[nH]n4)C3)nc2c1 ZINC000425555122 420417988 /nfs/dbraw/zinc/41/79/88/420417988.db2.gz XKISTDSHLXGQEI-VIFPVBQESA-N 0 3 313.321 1.579 20 5 DDBDHN CN1C(=O)NCC12CCN(CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000425548391 420415582 /nfs/dbraw/zinc/41/55/82/420415582.db2.gz WMRPFFCBCWOSDW-UHFFFAOYSA-N 0 3 318.377 1.627 20 5 DDBDHN COCC[C@@]1(NCc2ccc(OC)c([N+](=O)[O-])c2)CCOC1 ZINC000447080129 230331203 /nfs/dbraw/zinc/33/12/03/230331203.db2.gz ZAKZBKPTPDGULV-OAHLLOKOSA-N 0 3 310.350 1.889 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000442132919 420671897 /nfs/dbraw/zinc/67/18/97/420671897.db2.gz QKSDANHFBDIYED-JQWIXIFHSA-N 0 3 320.349 1.132 20 5 DDBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1COC[C@H]1O ZINC000453352548 420722959 /nfs/dbraw/zinc/72/29/59/420722959.db2.gz QHEBJQCMLXXVOP-DMDPSCGWSA-N 0 3 312.391 1.815 20 5 DDBDHN CN(C)CC=CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000493159031 420774260 /nfs/dbraw/zinc/77/42/60/420774260.db2.gz GKOLCNFNEVGFJY-ARJAWSKDSA-N 0 3 303.322 1.205 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459657317 420841690 /nfs/dbraw/zinc/84/16/90/420841690.db2.gz FQDQOCPPLVNBHD-UONOGXRCSA-N 0 3 319.361 1.257 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000449223013 420972738 /nfs/dbraw/zinc/97/27/38/420972738.db2.gz IYYWOMVUKNSYNM-DGCLKSJQSA-N 0 3 303.362 1.879 20 5 DDBDHN CNc1nc(C(=O)NC[C@@H](CC(C)C)N(C)C)ccc1[N+](=O)[O-] ZINC000455637728 421047636 /nfs/dbraw/zinc/04/76/36/421047636.db2.gz JNOYQCUJUOIZDF-LLVKDONJSA-N 0 3 323.397 1.738 20 5 DDBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CNCCC1(F)F ZINC000449661178 421050261 /nfs/dbraw/zinc/05/02/61/421050261.db2.gz ZHPQAGYIYLNNJM-NSHDSACASA-N 0 3 315.276 1.087 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CCCCN2CCO)n1 ZINC000450609718 421217015 /nfs/dbraw/zinc/21/70/15/421217015.db2.gz FZSZMAYFWBSXJI-CYBMUJFWSA-N 0 3 308.382 1.865 20 5 DDBDHN CCCc1n[nH]c(C(=O)NCCN2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000525803885 421303687 /nfs/dbraw/zinc/30/36/87/421303687.db2.gz XYXAXFMQIPQLIY-JTQLQIEISA-N 0 3 309.370 1.342 20 5 DDBDHN CC(C)Oc1nc(NCCOCCN(C)C)ccc1[N+](=O)[O-] ZINC000514678730 421446818 /nfs/dbraw/zinc/44/68/18/421446818.db2.gz FIHSWIDGFLTTHE-UHFFFAOYSA-N 0 3 312.370 1.767 20 5 DDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)N1CCCC[C@H]1C ZINC000518219672 421646074 /nfs/dbraw/zinc/64/60/74/421646074.db2.gz KWOKYFZKZOMHLP-NEPJUHHUSA-N 0 3 308.382 1.926 20 5 DDBDHN CCCN(CCN1CCCCC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554638127 421656812 /nfs/dbraw/zinc/65/68/12/421656812.db2.gz WVYLRILZVLXOKY-UHFFFAOYSA-N 0 3 309.370 1.656 20 5 DDBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000556321753 421709040 /nfs/dbraw/zinc/70/90/40/421709040.db2.gz HARCNJZARQDTRO-UMNHJUIQSA-N 0 3 307.354 1.120 20 5 DDBDHN C[C@H](CN1CCN(C)CC1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572422983 421786760 /nfs/dbraw/zinc/78/67/60/421786760.db2.gz NYKVOLPWCDIQIX-CJNGLKHVSA-N 0 3 318.421 1.808 20 5 DDBDHN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCCCCN1 ZINC000521625994 421795491 /nfs/dbraw/zinc/79/54/91/421795491.db2.gz BWKAYBDSBCJNOR-GFCCVEGCSA-N 0 3 303.322 1.942 20 5 DDBDHN COc1ccc(CN2CCNC[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000574756873 422174138 /nfs/dbraw/zinc/17/41/38/422174138.db2.gz GDHCXOZBZSBNKX-NSHDSACASA-N 0 3 301.293 1.642 20 5 DDBDHN Cc1cc(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc([N+](=O)[O-])c1 ZINC000576066995 422364891 /nfs/dbraw/zinc/36/48/91/422364891.db2.gz BIOOXZSSCNXPKP-MRXNPFEDSA-N 0 3 319.361 1.090 20 5 DDBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1c(N)cccc1[N+](=O)[O-])C2 ZINC000597710152 422389719 /nfs/dbraw/zinc/38/97/19/422389719.db2.gz IJXUXVJQJFKMKS-MRXNPFEDSA-N 0 3 318.377 1.735 20 5 DDBDHN NC(=O)c1cccc(NC2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000341421166 271062422 /nfs/dbraw/zinc/06/24/22/271062422.db2.gz OXKUAZPFOIGKIF-UHFFFAOYSA-N 0 3 304.350 1.732 20 5 DDBDHN CCC[C@@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000236925496 276023593 /nfs/dbraw/zinc/02/35/93/276023593.db2.gz UZUJRXYFSOVOOR-GFCCVEGCSA-N 0 3 306.366 1.371 20 5 DDBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCNCC1 ZINC000122844821 276673788 /nfs/dbraw/zinc/67/37/88/276673788.db2.gz YZOURSYPIZVXLA-UHFFFAOYSA-N 0 3 313.379 1.141 20 5 DDBDHN CC(C)(NCCCN1C(=O)CNC1=O)c1ccccc1[N+](=O)[O-] ZINC000292128146 277309575 /nfs/dbraw/zinc/30/95/75/277309575.db2.gz KZLGOFNGIBUHQF-UHFFFAOYSA-N 0 3 320.349 1.361 20 5 DDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCN(C)C1CC1 ZINC000186758734 279237320 /nfs/dbraw/zinc/23/73/20/279237320.db2.gz FVECSPLNBAMNCT-GFCCVEGCSA-N 0 3 320.393 1.948 20 5 DDBDHN Cc1cc(C)c(S(=O)(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000193231726 280395121 /nfs/dbraw/zinc/39/51/21/280395121.db2.gz HNEBSCGVDSLGDI-UHFFFAOYSA-N 0 3 313.379 1.196 20 5 DDBDHN CCN(CC)CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000063758988 280918028 /nfs/dbraw/zinc/91/80/28/280918028.db2.gz RQSPJMFMWKWPIW-UHFFFAOYSA-N 0 3 320.393 1.585 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(NCCCCN2CCN(C)CC2)n1 ZINC000121247661 281135033 /nfs/dbraw/zinc/13/50/33/281135033.db2.gz BKQUGGNEHQNUNB-UHFFFAOYSA-N 0 3 307.398 1.738 20 5 DDBDHN CC1(C)C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000261726658 281279799 /nfs/dbraw/zinc/27/97/99/281279799.db2.gz NXMMHQMWYBWMLX-LBPRGKRZSA-N 0 3 313.379 1.261 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCOCC1 ZINC000363379584 300260268 /nfs/dbraw/zinc/26/02/68/300260268.db2.gz SQCQMPWRLQTTOL-UHFFFAOYSA-N 0 3 323.349 1.654 20 5 DDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])s1 ZINC000363692486 300297048 /nfs/dbraw/zinc/29/70/48/300297048.db2.gz MRNJLXFDICYABA-VHSXEESVSA-N 0 3 311.363 1.249 20 5 DDBDHN Cc1n[nH]c(C(=O)NC[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000299569309 300898729 /nfs/dbraw/zinc/89/87/29/300898729.db2.gz VSMKMJIHPLJPOA-LBPRGKRZSA-N 0 3 317.349 1.659 20 5 DDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000368370217 301013009 /nfs/dbraw/zinc/01/30/09/301013009.db2.gz NVHCNHPUMGKHPR-UWVGGRQHSA-N 0 3 301.705 1.678 20 5 DDBDHN CC[C@H]1CN2CCCC[C@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000375869463 302007720 /nfs/dbraw/zinc/00/77/20/302007720.db2.gz AGBULJABLODGJF-STQMWFEESA-N 0 3 307.398 1.777 20 5 DDBDHN C[C@H](CN1CCCCC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357321530 306876409 /nfs/dbraw/zinc/87/64/09/306876409.db2.gz YUKFEOQFIXUPIS-SNVBAGLBSA-N 0 3 307.354 1.375 20 5 DDBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NC[C@H](C)S(C)(=O)=O ZINC000537940346 303381483 /nfs/dbraw/zinc/38/14/83/303381483.db2.gz FTRDFASDVJBZJN-NEPJUHHUSA-N 0 3 314.407 1.939 20 5 DDBDHN Cc1cc(CN(C)C)cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000549196818 303608175 /nfs/dbraw/zinc/60/81/75/303608175.db2.gz KZFSLCYEOQYMMP-UHFFFAOYSA-N 0 3 303.322 1.940 20 5 DDBDHN CC1(C)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000364916415 307053967 /nfs/dbraw/zinc/05/39/67/307053967.db2.gz NCGDXZIVMGYNQN-CYBMUJFWSA-N 0 3 324.377 1.835 20 5 DDBDHN CSC[C@@H](O)CN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372294466 307167820 /nfs/dbraw/zinc/16/78/20/307167820.db2.gz JNMAYJPFDUZMTI-JQWIXIFHSA-N 0 3 300.384 1.152 20 5 DDBDHN N=C(NO)[C@@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000376079645 307237677 /nfs/dbraw/zinc/23/76/77/307237677.db2.gz GGYIKWWGQXMOBS-STQMWFEESA-N 0 3 308.338 1.439 20 5 DDBDHN Cn1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000562990898 307951802 /nfs/dbraw/zinc/95/18/02/307951802.db2.gz JKNFSUGZUKIWPL-ZDUSSCGKSA-N 0 3 305.334 1.463 20 5 DDBDHN CCC[C@H](C)[C@H](CO)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000564090224 307991097 /nfs/dbraw/zinc/99/10/97/307991097.db2.gz MVTMJRUKAYPYOT-WFASDCNBSA-N 0 3 323.393 1.944 20 5 DDBDHN CN(C)C(=O)C(C)(C)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000568602392 308123567 /nfs/dbraw/zinc/12/35/67/308123567.db2.gz NZOZVXKVDZRQTM-UHFFFAOYSA-N 0 3 322.365 1.380 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](c3ccncc3)C2)c1 ZINC000570118843 308159549 /nfs/dbraw/zinc/15/95/49/308159549.db2.gz YWHNPMKLKOUCEF-HIFRSBDPSA-N 0 3 317.349 1.037 20 5 DDBDHN COc1cccc(C(=O)NC[C@H](C)N2CCCC2)c1[N+](=O)[O-] ZINC000571487503 308196349 /nfs/dbraw/zinc/19/63/49/308196349.db2.gz PNEWPAPUCPERFZ-NSHDSACASA-N 0 3 307.350 1.818 20 5 DDBDHN CC(C)(C)N1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000574128206 308261893 /nfs/dbraw/zinc/26/18/93/308261893.db2.gz NLUKLTPAPUWNDR-UHFFFAOYSA-N 0 3 321.381 1.399 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595875163 490372429 /nfs/dbraw/zinc/37/24/29/490372429.db2.gz PWFBSUPWRHBQGQ-WWGRRREGSA-N 0 3 324.377 1.285 20 5 DDBDHN Cc1c(C(=O)NC[C@@H](C)N(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000299479209 533787783 /nfs/dbraw/zinc/78/77/83/533787783.db2.gz DWWCQAVWYNBCQB-MRVPVSSYSA-N 0 3 324.337 1.800 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H]2CCN(C)[C@H]2C1 ZINC000451637233 534338660 /nfs/dbraw/zinc/33/86/60/534338660.db2.gz XEMRYOZYPMUDKE-DOMZBBRYSA-N 0 3 318.377 1.478 20 5 DDBDHN CC(C)(C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1)C(N)=O ZINC000295687089 527226984 /nfs/dbraw/zinc/22/69/84/527226984.db2.gz SHXVCKGNDHYREL-LBPRGKRZSA-N 0 3 323.397 1.405 20 5 DDBDHN CCNC(=O)N1CC[C@@H](N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000294800486 528144705 /nfs/dbraw/zinc/14/47/05/528144705.db2.gz OYRVUESBQJRPDY-ZYHUDNBSSA-N 0 3 321.381 1.631 20 5 DDBDHN CC[C@@H](C)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000295896613 529355028 /nfs/dbraw/zinc/35/50/28/529355028.db2.gz CVPFDEXMNBMDAD-CYBMUJFWSA-N 0 3 308.382 1.173 20 5 DDBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@H+](C)C1CC1 ZINC000736025457 598522899 /nfs/dbraw/zinc/52/28/99/598522899.db2.gz GXOQJEUSYRABMZ-SECBINFHSA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@@H+](C)C1CC1 ZINC000736025457 598522901 /nfs/dbraw/zinc/52/29/01/598522901.db2.gz GXOQJEUSYRABMZ-SECBINFHSA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@H+](C)C1CC1 ZINC000736025457 598522903 /nfs/dbraw/zinc/52/29/03/598522903.db2.gz GXOQJEUSYRABMZ-SECBINFHSA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@@H+](C)C1CC1 ZINC000736025457 598522904 /nfs/dbraw/zinc/52/29/04/598522904.db2.gz GXOQJEUSYRABMZ-SECBINFHSA-N 0 3 317.353 1.670 20 5 DDBDHN Cc1c(CC(=O)[N-]OC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000773545170 697776548 /nfs/dbraw/zinc/77/65/48/697776548.db2.gz FVXSJWOMXZTSPK-UHFFFAOYSA-N 0 3 307.350 1.588 20 5 DDBDHN CN(C)C1(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC000787509788 699215551 /nfs/dbraw/zinc/21/55/51/699215551.db2.gz UOULWMJQAPTULT-UHFFFAOYSA-N 0 3 319.361 1.669 20 5 DDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731455909 699529177 /nfs/dbraw/zinc/52/91/77/699529177.db2.gz XGRXQMVBAAUZTA-GXTWGEPZSA-N 0 3 323.324 1.327 20 5 DDBDHN O=[N+]([O-])c1cc(CN[C@@H](CCO)C2CC2)c2c(c1)COCO2 ZINC000741258979 699825675 /nfs/dbraw/zinc/82/56/75/699825675.db2.gz UDWBNAFZXWOTAZ-AWEZNQCLSA-N 0 3 308.334 1.712 20 5 DDBDHN CS[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000759277645 700744706 /nfs/dbraw/zinc/74/47/06/700744706.db2.gz HLVMYFWOYRETPI-MNOVXSKESA-N 0 3 321.406 1.724 20 5 DDBDHN Cc1cc(F)cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1[N+](=O)[O-] ZINC000816953612 702237969 /nfs/dbraw/zinc/23/79/69/702237969.db2.gz KJWUOKUPMYUVMQ-MFKMUULPSA-N 0 3 307.325 1.818 20 5 DDBDHN CC(COC(=O)COc1ccc(N2CCCC2=O)cc1)[N+](=O)[O-] ZINC000813102680 702291046 /nfs/dbraw/zinc/29/10/46/702291046.db2.gz ISIZVJVRCDIHEF-LLVKDONJSA-N 0 3 322.317 1.401 20 5 DDBDHN CC(COC(=O)c1cc(N2CCCC2=O)ccc1F)[N+](=O)[O-] ZINC000813104197 702292022 /nfs/dbraw/zinc/29/20/22/702292022.db2.gz XXHTUBDWTSCAHF-SECBINFHSA-N 0 3 310.281 1.775 20 5 DDBDHN CCC(CC)[C@H](C(=O)OCC(C)[N+](=O)[O-])N1CCOCC1 ZINC000813103788 702292065 /nfs/dbraw/zinc/29/20/65/702292065.db2.gz TZTHIKATGJGSNG-WCQYABFASA-N 0 3 302.371 1.332 20 5 DDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1cccc(C)c1 ZINC000813107965 702293944 /nfs/dbraw/zinc/29/39/44/702293944.db2.gz SCMNFCDZVQHCPP-JTQLQIEISA-N 0 3 304.306 1.706 20 5 DDBDHN Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)OCC(C)[N+](=O)[O-])C2=O ZINC000813112686 702298008 /nfs/dbraw/zinc/29/80/08/702298008.db2.gz SWVOWGQVEAKNOX-UWVGGRQHSA-N 0 3 320.301 1.188 20 5 DDBDHN CC(COC(=O)CC(C)(C)NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813114920 702299547 /nfs/dbraw/zinc/29/95/47/702299547.db2.gz XVAYOLJATKVGPK-VIFPVBQESA-N 0 3 304.343 1.888 20 5 DDBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H](C)S(C)(=O)=O ZINC000866311140 706671022 /nfs/dbraw/zinc/67/10/22/706671022.db2.gz QWRCFRPGHZJDRE-UWVGGRQHSA-N 0 3 318.370 1.688 20 5 DDBDHN CCOC(=O)C1CCC(CC(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000842801326 702776058 /nfs/dbraw/zinc/77/60/58/702776058.db2.gz GXUFGHWWJZISAK-VOMCLLRMSA-N 0 3 301.339 1.954 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000843063818 702811480 /nfs/dbraw/zinc/81/14/80/702811480.db2.gz AWROHLCULGRCMP-ZACQAIPSSA-N 0 3 314.341 1.876 20 5 DDBDHN C[C@@H](NC[C@@]12COC(=O)N1CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000866519950 706719799 /nfs/dbraw/zinc/71/97/99/706719799.db2.gz YPZLHTPHLPASKD-IAQYHMDHSA-N 0 3 321.333 1.467 20 5 DDBDHN CC([C@H](OC(=O)[C@H]1CCC(=O)N1C)c1ccccc1F)[N+](=O)[O-] ZINC000845881854 703211999 /nfs/dbraw/zinc/21/19/99/703211999.db2.gz MMZRXQKZRJGRND-IUPBHXKESA-N 0 3 324.308 1.696 20 5 DDBDHN CC1(C)C[C@@H](O)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000879614943 706738843 /nfs/dbraw/zinc/73/88/43/706738843.db2.gz CKUFJPJTQLUXPA-ZIAGYGMSSA-N 0 3 324.377 1.427 20 5 DDBDHN Cn1cc([C@@H](O)CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000848527954 703561456 /nfs/dbraw/zinc/56/14/56/703561456.db2.gz AUEMPUAATBJHMB-ZFWWWQNUSA-N 0 3 302.334 1.639 20 5 DDBDHN CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CCC1(C)C ZINC000871155840 704232997 /nfs/dbraw/zinc/23/29/97/704232997.db2.gz FBVKVOWZHHORTM-UHFFFAOYSA-N 0 3 306.366 1.733 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000820272087 704250372 /nfs/dbraw/zinc/25/03/72/704250372.db2.gz JGIOFBOYOXQOLY-XZDPQHSOSA-N 0 3 315.373 1.861 20 5 DDBDHN CC1(C)CCNCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000866802900 706806657 /nfs/dbraw/zinc/80/66/57/706806657.db2.gz MQHAGXWVOUYMTK-UHFFFAOYSA-N 0 3 313.379 1.357 20 5 DDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000874837367 705194220 /nfs/dbraw/zinc/19/42/20/705194220.db2.gz IGUMGLORBWHUKB-STQMWFEESA-N 0 3 321.381 1.222 20 5 DDBDHN CNc1ccc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000874848396 705202413 /nfs/dbraw/zinc/20/24/13/705202413.db2.gz SGBVGBZXBBYDNV-UONOGXRCSA-N 0 3 318.377 1.945 20 5 DDBDHN CN(CCN1CCCC1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825694366 705716484 /nfs/dbraw/zinc/71/64/84/705716484.db2.gz XDOPCMURMSVGLE-AWEZNQCLSA-N 0 3 307.350 1.182 20 5 DDBDHN O=[N+]([O-])c1cnn(C2CC(N[C@H](CO)c3ccsc3)C2)c1 ZINC000877399935 706096236 /nfs/dbraw/zinc/09/62/36/706096236.db2.gz PUABOTDDNBMJGQ-GCZXYKMCSA-N 0 3 308.363 1.880 20 5 DDBDHN CCN1CCN([C@H](C)CNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881808196 707373738 /nfs/dbraw/zinc/37/37/38/707373738.db2.gz PAKHNEQKSRWDPI-LLVKDONJSA-N 0 3 311.361 1.567 20 5 DDBDHN CCN1CC[C@H]1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000883360983 707984290 /nfs/dbraw/zinc/98/42/90/707984290.db2.gz QGWFEDDNPGTOBR-LBPRGKRZSA-N 0 3 307.350 1.550 20 5 DDBDHN COc1cccc(N2CC[C@H]3[C@@H]2CCCN3CCO)c1[N+](=O)[O-] ZINC000897222344 708259699 /nfs/dbraw/zinc/25/96/99/708259699.db2.gz UQGGXSVURIMMGA-STQMWFEESA-N 0 3 321.377 1.639 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@]3(CO)CCC[C@@H]23)c1 ZINC000886631177 708798965 /nfs/dbraw/zinc/79/89/65/708798965.db2.gz FWGGFDQSAGZJHH-BZUAXINKSA-N 0 3 306.362 1.865 20 5 DDBDHN CCN1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910288547 709868881 /nfs/dbraw/zinc/86/88/81/709868881.db2.gz WUEOVJAKWNMZIH-ZDUSSCGKSA-N 0 3 321.377 1.916 20 5 DDBDHN COc1c([O-])ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000892103319 710372852 /nfs/dbraw/zinc/37/28/52/710372852.db2.gz YDQJKWAINHYBQU-OLZOCXBDSA-N 0 3 321.377 1.978 20 5 DDBDHN COc1c([O-])ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000892103319 710372853 /nfs/dbraw/zinc/37/28/53/710372853.db2.gz YDQJKWAINHYBQU-OLZOCXBDSA-N 0 3 321.377 1.978 20 5 DDBDHN CC(COC(=O)C[C@@H]1CCC2(CCOCC2)CO1)[N+](=O)[O-] ZINC000893046394 710546649 /nfs/dbraw/zinc/54/66/49/710546649.db2.gz ANRHDUKWNDCGPR-NEPJUHHUSA-N 0 3 301.339 1.561 20 5 DDBDHN C[C@@]1(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CN2CCC1CC2 ZINC000912374429 711299023 /nfs/dbraw/zinc/29/90/23/711299023.db2.gz NYHCKZRYFIPOGF-GDBMZVCRSA-N 0 3 319.361 1.229 20 5 DDBDHN CCOC(=O)c1ccnc(N[C@@H]2CCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000895739037 711591824 /nfs/dbraw/zinc/59/18/24/711591824.db2.gz AMOJNYWTCWUWIP-GXSJLCMTSA-N 0 3 308.338 1.671 20 5 DDBDHN COc1cc(CN2CC[C@H](NCC[N+](=O)[O-])C2)cc(OC)c1 ZINC000905158502 711955093 /nfs/dbraw/zinc/95/50/93/711955093.db2.gz GUMHRAVEOCHXNB-ZDUSSCGKSA-N 0 3 309.366 1.144 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000914290940 713371544 /nfs/dbraw/zinc/37/15/44/713371544.db2.gz FIQKQXVWVFYDJR-GXFFZTMASA-N 0 3 322.365 1.495 20 5 DDBDHN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCCN1CCCC1 ZINC000915281702 713415450 /nfs/dbraw/zinc/41/54/50/713415450.db2.gz UHWGDWYKEQFNFH-UHFFFAOYSA-N 0 3 317.349 1.157 20 5 DDBDHN COC(=O)C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000932105415 714260250 /nfs/dbraw/zinc/26/02/50/714260250.db2.gz UXICHFLJEWKUET-UXIGCNINSA-N 0 3 322.361 1.759 20 5 DDBDHN CCOC(=O)[C@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000932644235 714373377 /nfs/dbraw/zinc/37/33/77/714373377.db2.gz HKPUXNHGSIEVEU-JSGCOSHPSA-N 0 3 308.334 1.513 20 5 DDBDHN CC1(C)CNC(=O)[C@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926112774 715007581 /nfs/dbraw/zinc/00/75/81/715007581.db2.gz FIFVSXGUNPTOKP-GFCCVEGCSA-N 0 3 311.769 1.905 20 5 DDBDHN CC[C@@H]1CN(C)CCCN1C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000935779421 715127941 /nfs/dbraw/zinc/12/79/41/715127941.db2.gz YISRWQHOACKXLS-GFCCVEGCSA-N 0 3 309.370 1.042 20 5 DDBDHN Cc1ccc(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)o1 ZINC001125858544 736798160 /nfs/dbraw/zinc/79/81/60/736798160.db2.gz DRBCFPADSOELES-UHFFFAOYSA-N 0 3 317.345 1.945 20 5 DDBDHN CC(C)(O)CN1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255193781 741982033 /nfs/dbraw/zinc/98/20/33/741982033.db2.gz ITIHPRYLTOUCLZ-ALCCZGGFSA-N 0 3 319.405 1.997 20 5 DDBDHN Cc1c[nH]cc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001151025320 743157028 /nfs/dbraw/zinc/15/70/28/743157028.db2.gz PDEDQDOHVPRPEM-UHFFFAOYSA-N 0 3 302.334 1.751 20 5 DDBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(Cc2cncs2)CC1 ZINC001005383812 749937662 /nfs/dbraw/zinc/93/76/62/749937662.db2.gz WFDPENKSKQPFMX-CHWSQXEVSA-N 0 3 324.406 1.231 20 5 DDBDHN CCCN(C)CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001095605711 750074414 /nfs/dbraw/zinc/07/44/14/750074414.db2.gz YHOZJHMAHBNERD-UHFFFAOYSA-N 0 3 322.409 1.879 20 5 DDBDHN CN(CCCNc1ccc([N+](=O)[O-])cn1)C(=O)CN1CCCC1 ZINC001109454576 763724306 /nfs/dbraw/zinc/72/43/06/763724306.db2.gz HTMGVNJLWVZRIR-UHFFFAOYSA-N 0 3 321.381 1.346 20 5 DDBDHN Cc1cnoc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001170037788 764289456 /nfs/dbraw/zinc/28/94/56/764289456.db2.gz UYRQSKJCARVJDR-UHFFFAOYSA-N 0 3 318.333 1.801 20 5 DDBDHN C[C@H](Nc1cc2c(c([N+](=O)[O-])c1)NN(C)C2)[C@@H]1CNCCO1 ZINC001170576447 768253652 /nfs/dbraw/zinc/25/36/52/768253652.db2.gz VFRXBHGFRWQNBP-ZANVPECISA-N 0 3 307.354 1.156 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1(CCF)CC1 ZINC001131722264 768290970 /nfs/dbraw/zinc/29/09/70/768290970.db2.gz XTIWBYCZOAVELR-UHFFFAOYSA-N 0 3 309.341 1.940 20 5 DDBDHN COc1ccc(C[C@@H](C)n2cc(CN)cnc2=N)c([N+](=O)[O-])c1 ZINC001170325639 766253135 /nfs/dbraw/zinc/25/31/35/766253135.db2.gz XUBZCXGTRRBBFW-SNVBAGLBSA-N 0 3 317.349 1.542 20 5 DDBDHN C[C@@H](Nc1nc(Cl)nc(Cl)c1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001159497499 771613411 /nfs/dbraw/zinc/61/34/11/771613411.db2.gz OGVXAESJROISKU-PHDIDXHHSA-N 0 3 322.152 1.480 20 5 DDBDHN CC(C)N(C)CC(=O)NCCNc1ccc([N+](=O)[O-])cc1F ZINC001093674328 774989282 /nfs/dbraw/zinc/98/92/82/774989282.db2.gz VHFYGDJRJOGMHN-UHFFFAOYSA-N 0 3 312.345 1.602 20 5 DDBDHN CCN(C)C(C)(C)C(=O)NCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001100204111 775816143 /nfs/dbraw/zinc/81/61/43/775816143.db2.gz UWSBPJAWPIEDFO-UHFFFAOYSA-N 0 3 323.397 1.273 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC001116230211 780487177 /nfs/dbraw/zinc/48/71/77/780487177.db2.gz URPUVMHRCBKOMS-QWRGUYRKSA-N 0 3 318.377 1.992 20 5 DDBDHN CN(CCO)CCN(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001149206804 861488399 /nfs/dbraw/zinc/48/83/99/861488399.db2.gz VHPXUSRDMABQKD-UHFFFAOYSA-N 0 3 320.349 1.072 20 5 DDBDHN CSCC(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001233639498 846060071 /nfs/dbraw/zinc/06/00/71/846060071.db2.gz HOZMCYUZVAXFNS-UHFFFAOYSA-N 0 3 311.407 1.896 20 5 DDBDHN CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001328431113 862971079 /nfs/dbraw/zinc/97/10/79/862971079.db2.gz CFTBYDZVUWKSQA-NSHDSACASA-N 0 3 322.321 1.717 20 5 DDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001121931338 858638452 /nfs/dbraw/zinc/63/84/52/858638452.db2.gz KVMKYGLJOVNOFP-WDEREUQCSA-N 0 3 309.341 1.875 20 5 DDBDHN CC(C)(C)N1CCN(c2nnc(C[N+](=O)[O-])n2CC2CC2)CC1 ZINC001123411914 859223130 /nfs/dbraw/zinc/22/31/30/859223130.db2.gz AFBKELRBDATOSE-UHFFFAOYSA-N 0 3 322.413 1.385 20 5 DDBDHN CC(C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C)=C1CCC1 ZINC001157710872 864067704 /nfs/dbraw/zinc/06/77/04/864067704.db2.gz LJISNZVKHFGVTE-UHFFFAOYSA-N 0 3 321.381 1.425 20 5 DDBDHN O=[N+]([O-])c1cnc(N2CCO[C@@H](CN3CCCC3)C2)c(F)c1 ZINC001158309079 864564272 /nfs/dbraw/zinc/56/42/72/864564272.db2.gz ATMWWNGOGRSHDO-LBPRGKRZSA-N 0 3 310.329 1.430 20 5 DDBDHN Cc1nc(N2CCCN(C[C@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC001324417764 867266640 /nfs/dbraw/zinc/26/66/40/867266640.db2.gz QKPXDKGHJYWEIR-CYBMUJFWSA-N 0 3 321.381 1.384 20 5 DDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC001324580458 867373112 /nfs/dbraw/zinc/37/31/12/867373112.db2.gz MLGVWEUIYPRSNJ-HZMBPMFUSA-N 0 3 304.350 1.413 20 5 DDBDHN COc1nc(N[C@@]2(C)CCCN(C)C2)nc(OC)c1[N+](=O)[O-] ZINC001162341390 867474237 /nfs/dbraw/zinc/47/42/37/867474237.db2.gz MARDQGXSGPMDQR-ZDUSSCGKSA-N 0 3 311.342 1.298 20 5 DDBDHN COc1ncc([N+](=O)[O-])c(-n2c3ccccc3nc2[C@@H](C)N)n1 ZINC001162757826 867803798 /nfs/dbraw/zinc/80/37/98/867803798.db2.gz COQQPYZWPYKEOZ-MRVPVSSYSA-N 0 3 314.305 1.752 20 5 DDBDHN CC(C)(C)OC(=O)NC[C@@H](NCC[N+](=O)[O-])C1CCCC1 ZINC001336244767 868812372 /nfs/dbraw/zinc/81/23/72/868812372.db2.gz GREGLRGGFWQCDA-GFCCVEGCSA-N 0 3 301.387 1.936 20 5 DDBDHN O=[N+]([O-])c1ccc2ccnc(N3CC[C@@H]4NCCO[C@H]4C3)c2c1 ZINC001165274075 869486366 /nfs/dbraw/zinc/48/63/66/869486366.db2.gz GAHJTUBYVAJHJG-GJZGRUSLSA-N 0 3 314.345 1.710 20 5 DDBDHN CC[C@@H](C)N1CCN(c2nnc(C[N+](=O)[O-])n2CC2CC2)CC1 ZINC001348144902 874377072 /nfs/dbraw/zinc/37/70/72/874377072.db2.gz HYSJTNXJVDAFBW-GFCCVEGCSA-N 0 3 322.413 1.385 20 5 DDBDHN C[C@@H]1CC[C@H](Oc2[n-]c(=O)nc3cc([N+](=O)[O-])ccc32)C[NH2+]1 ZINC001218396896 877474330 /nfs/dbraw/zinc/47/43/30/877474330.db2.gz DSECNVJWXJWBTF-SCZZXKLOSA-N 0 3 304.306 1.763 20 5 DDBDHN CC(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001278693464 895614421 /nfs/dbraw/zinc/61/44/21/895614421.db2.gz LCWVJNFJTRRJOM-UHFFFAOYSA-N 0 3 307.350 1.370 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])n1[n-]c(=O)c2c1CC[NH2+]C2 ZINC001254564418 896501446 /nfs/dbraw/zinc/50/14/46/896501446.db2.gz LVOBKOLJUSNCAY-SNVBAGLBSA-N 0 3 302.334 1.946 20 5 DDBDHN CCOC(=O)C[C@H]1CCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC001262013463 899896323 /nfs/dbraw/zinc/89/63/23/899896323.db2.gz CVEFZZHVHQHGSJ-GFCCVEGCSA-N 0 3 310.354 1.517 20 5 DDBDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(CC[N+](=O)[O-])C[C@H]21 ZINC001262256055 900055618 /nfs/dbraw/zinc/05/56/18/900055618.db2.gz DYEHYZDGVASTLZ-JHJVBQTASA-N 0 3 313.398 1.888 20 5 DDBDHN CN(C)C[C@@H](CO)Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001262365734 900133852 /nfs/dbraw/zinc/13/38/52/900133852.db2.gz KQKJZRZIFJOCIF-VIFPVBQESA-N 0 3 324.768 1.553 20 5 DDBDHN O=c1[n-]ccc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1[N+](=O)[O-] ZINC001307199644 916086589 /nfs/dbraw/zinc/08/65/89/916086589.db2.gz YFGLQKNIALBUAA-GFCCVEGCSA-N 0 3 322.365 1.433 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)n1 ZINC000248668915 282097964 /nfs/dbraw/zinc/09/79/64/282097964.db2.gz PDMPXYUYXRYKGZ-GHMZBOCLSA-N 0 3 309.370 1.223 20 5 DDBDHN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H](C)N1CCO ZINC000451662331 231156067 /nfs/dbraw/zinc/15/60/67/231156067.db2.gz ILLUCUVMZNEFFK-OKILXGFUSA-N 0 3 323.393 1.361 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](N)Cc2ccccc21 ZINC000424080435 282167598 /nfs/dbraw/zinc/16/75/98/282167598.db2.gz TYULCJBWIXPYCP-GFCCVEGCSA-N 0 3 312.329 1.828 20 5 DDBDHN CC[C@]1(O)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000495250804 529442112 /nfs/dbraw/zinc/44/21/12/529442112.db2.gz JKFUQLFBXJVLEQ-HIFRSBDPSA-N 0 3 310.350 1.181 20 5 DDBDHN COC[C@]1(CO)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000451920288 231232985 /nfs/dbraw/zinc/23/29/85/231232985.db2.gz ADTAKRRHYNJMLT-OAHLLOKOSA-N 0 3 310.350 1.304 20 5 DDBDHN COc1ccc(NC(=O)NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272771499 210176403 /nfs/dbraw/zinc/17/64/03/210176403.db2.gz CALPAFSVKAPJRV-UHFFFAOYSA-N 0 3 308.338 1.819 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000358391864 299140826 /nfs/dbraw/zinc/14/08/26/299140826.db2.gz ITIQALUXLALPCD-JQWIXIFHSA-N 0 3 309.341 1.875 20 5 DDBDHN C[C@@H](C(=O)NC[C@@](C)(O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000320158948 290819470 /nfs/dbraw/zinc/81/94/70/290819470.db2.gz HUSLGYJJHFGRMD-IAQYHMDHSA-N 0 3 309.366 1.127 20 5 DDBDHN CCCC[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000150310380 186056583 /nfs/dbraw/zinc/05/65/83/186056583.db2.gz QZAGJTGSYRVVQK-JTQLQIEISA-N 0 3 301.368 1.391 20 5 DDBDHN C[C@@]1(O)CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000280086615 215365443 /nfs/dbraw/zinc/36/54/43/215365443.db2.gz OETZZGNDABLOOQ-GOEBONIOSA-N 0 3 324.377 1.571 20 5 DDBDHN CCN1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000041443587 352308476 /nfs/dbraw/zinc/30/84/76/352308476.db2.gz KCZPWJAQVXJZKA-UHFFFAOYSA-N 0 3 320.393 1.352 20 5 DDBDHN CCN(CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000173048210 198180944 /nfs/dbraw/zinc/18/09/44/198180944.db2.gz IJMJZORHIPFDST-UHFFFAOYSA-N 0 3 320.393 1.632 20 5 DDBDHN CCOc1ccc(C(=O)NCCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000067701578 353062825 /nfs/dbraw/zinc/06/28/25/353062825.db2.gz VGFYDVHDNLNHNF-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN CN1CCC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000073811940 353272195 /nfs/dbraw/zinc/27/21/95/353272195.db2.gz FOAUTBUMBSDAAO-CYBMUJFWSA-N 0 3 306.366 1.531 20 5 DDBDHN CN(CCCN1CCN(C)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000174728384 198376365 /nfs/dbraw/zinc/37/63/65/198376365.db2.gz QYACRKKTFVCQGE-UHFFFAOYSA-N 0 3 306.410 1.664 20 5 DDBDHN CN(CCc1ccc(F)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174749014 198379617 /nfs/dbraw/zinc/37/96/17/198379617.db2.gz JHDNCOZFFNPRIG-OAHLLOKOSA-N 0 3 322.340 1.466 20 5 DDBDHN COCCCN1CCCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000078302278 353509688 /nfs/dbraw/zinc/50/96/88/353509688.db2.gz LFRCCINQMLIDDX-UHFFFAOYSA-N 0 3 308.382 1.847 20 5 DDBDHN O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(CC2CC2)C1 ZINC000108307521 353950462 /nfs/dbraw/zinc/95/04/62/353950462.db2.gz FXEWKQXZKNJNNV-CYBMUJFWSA-N 0 3 318.377 1.607 20 5 DDBDHN COC[C@H](C)OC[C@H](O)CNCc1cccc([N+](=O)[O-])c1C ZINC000319763482 354523270 /nfs/dbraw/zinc/52/32/70/354523270.db2.gz QJOPVSBWLQNYOX-SMDDNHRTSA-N 0 3 312.366 1.405 20 5 DDBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H](C)C1 ZINC000346231306 283035091 /nfs/dbraw/zinc/03/50/91/283035091.db2.gz OBROETMBQSTOQC-SGMGOOAPSA-N 0 3 320.393 1.736 20 5 DDBDHN Cc1c(CC(=O)N[C@H](CO)CN2CCCC2)cccc1[N+](=O)[O-] ZINC000588868898 354944464 /nfs/dbraw/zinc/94/44/64/354944464.db2.gz HTDITXPYTLHYCM-AWEZNQCLSA-N 0 3 321.377 1.019 20 5 DDBDHN COc1c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590447658 355099078 /nfs/dbraw/zinc/09/90/78/355099078.db2.gz ZRENJKZSRAHWEG-GXFFZTMASA-N 0 3 305.334 1.380 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000590446553 355099860 /nfs/dbraw/zinc/09/98/60/355099860.db2.gz UJAAVCQKXDYSIK-WFASDCNBSA-N 0 3 318.377 1.559 20 5 DDBDHN COc1ccc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000590776644 355176527 /nfs/dbraw/zinc/17/65/27/355176527.db2.gz LHUHAGPYUWGOCP-WCQYABFASA-N 0 3 305.334 1.380 20 5 DDBDHN COc1cc(CNC[C@@H]2C[C@H](F)CN2)c([N+](=O)[O-])cc1OC ZINC000591281852 355278068 /nfs/dbraw/zinc/27/80/68/355278068.db2.gz OYLKXGCIODJKMD-QWRGUYRKSA-N 0 3 313.329 1.402 20 5 DDBDHN CCC[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccn1 ZINC000591734509 355374746 /nfs/dbraw/zinc/37/47/46/355374746.db2.gz IJWMIWFACWXQJW-UONOGXRCSA-N 0 3 319.365 1.678 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)n1 ZINC000594198107 356136992 /nfs/dbraw/zinc/13/69/92/356136992.db2.gz RXLMSIDMLHIFIY-RYUDHWBXSA-N 0 3 321.381 1.558 20 5 DDBDHN CN(CC(=O)N[C@@H](CN)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000594450511 356220946 /nfs/dbraw/zinc/22/09/46/356220946.db2.gz AKIHYYHSLCAYIS-JTQLQIEISA-N 0 3 320.271 1.037 20 5 DDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594600573 356261217 /nfs/dbraw/zinc/26/12/17/356261217.db2.gz MFEFLQSWRUFQBP-STQMWFEESA-N 0 3 319.365 1.518 20 5 DDBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000594614695 356267164 /nfs/dbraw/zinc/26/71/64/356267164.db2.gz ZAISAYMHTCYTDF-QWZUFBECSA-N 0 3 303.362 1.359 20 5 DDBDHN CC(=O)N1CC(N[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000565215658 304054190 /nfs/dbraw/zinc/05/41/90/304054190.db2.gz CCKCOOOJLALNAD-JTQLQIEISA-N 0 3 320.349 1.132 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1-c1noc(CC2CCN(C)CC2)n1 ZINC000347129255 283188334 /nfs/dbraw/zinc/18/83/34/283188334.db2.gz ZZPVKSZSRMCKTK-UHFFFAOYSA-N 0 3 306.326 1.263 20 5 DDBDHN COc1ccc(OCCN2CC[C@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595826501 356665987 /nfs/dbraw/zinc/66/59/87/356665987.db2.gz ABFDGELDKBEDBR-STQMWFEESA-N 0 3 322.361 1.951 20 5 DDBDHN CCN1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H](C)C1 ZINC000596268231 356838959 /nfs/dbraw/zinc/83/89/59/356838959.db2.gz GPYDAPKCOKBKQT-LLVKDONJSA-N 0 3 306.366 1.614 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597921534 357382264 /nfs/dbraw/zinc/38/22/64/357382264.db2.gz GUQYPEPFMXZTSX-SNVBAGLBSA-N 0 3 323.397 1.873 20 5 DDBDHN CCN(C(=O)COc1ccc([N+](=O)[O-])c(C)c1)[C@H]1CCN(C)C1 ZINC000597947399 357394901 /nfs/dbraw/zinc/39/49/01/357394901.db2.gz XQZPROCXQQEQKG-ZDUSSCGKSA-N 0 3 321.377 1.835 20 5 DDBDHN COC(=O)c1ccnc(NC[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000598594799 357645739 /nfs/dbraw/zinc/64/57/39/357645739.db2.gz CSUMCRDCUQZKIP-SNVBAGLBSA-N 0 3 308.338 1.530 20 5 DDBDHN CC(C)[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCN1 ZINC000598572852 357637008 /nfs/dbraw/zinc/63/70/08/357637008.db2.gz LUAXPXPLEUJQSC-ZDUSSCGKSA-N 0 3 317.349 1.541 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCC(F)(F)CC2)c1 ZINC000599552236 357970747 /nfs/dbraw/zinc/97/07/47/357970747.db2.gz YRRQYGYJTZSDGV-NSHDSACASA-N 0 3 304.297 1.273 20 5 DDBDHN CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CN2CCC1CC2 ZINC000347964514 283307649 /nfs/dbraw/zinc/30/76/49/283307649.db2.gz ZUKWCYMJPSLOKS-AWEZNQCLSA-N 0 3 319.361 1.526 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CO[C@H](C2CC2)C1 ZINC000600759498 358309781 /nfs/dbraw/zinc/30/97/81/358309781.db2.gz ZNVKKOGIDTZNNF-ZENOOKHLSA-N 0 3 322.361 1.492 20 5 DDBDHN CN1CCN(C)[C@@H](CNc2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601116404 358409387 /nfs/dbraw/zinc/40/93/87/358409387.db2.gz SXOJPSDBCXLYHD-ZDUSSCGKSA-N 0 3 315.377 1.223 20 5 DDBDHN CO[C@@](C)(CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602440495 358978124 /nfs/dbraw/zinc/97/81/24/358978124.db2.gz USXDSKUTIPQBHS-INIZCTEOSA-N 0 3 320.393 1.927 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H](OC)[C@H]1CCOC1 ZINC000602547148 359038652 /nfs/dbraw/zinc/03/86/52/359038652.db2.gz AIYXGUUQWJEITO-XHDPSFHLSA-N 0 3 310.350 1.745 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](n2ccnc2)C1 ZINC000602771581 359179646 /nfs/dbraw/zinc/17/96/46/359179646.db2.gz FLFZTIUSGSAYHZ-ZDUSSCGKSA-N 0 3 304.354 1.633 20 5 DDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H]1CCc2ncnn21 ZINC000602832338 359223867 /nfs/dbraw/zinc/22/38/67/359223867.db2.gz UPMLFLLCGUVUBB-CYBMUJFWSA-N 0 3 301.350 1.848 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H](CO)Cc1ccccc1 ZINC000602882356 359265478 /nfs/dbraw/zinc/26/54/78/359265478.db2.gz DDFNIVIKCKZGLR-HNNXBMFYSA-N 0 3 318.377 1.635 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000602961062 359323860 /nfs/dbraw/zinc/32/38/60/359323860.db2.gz UERXMIWYHKNGKM-WCQYABFASA-N 0 3 319.365 1.278 20 5 DDBDHN CN(C)CCc1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000603248736 359513963 /nfs/dbraw/zinc/51/39/63/359513963.db2.gz SNOLNERSPRVTDB-UHFFFAOYSA-N 0 3 311.292 1.617 20 5 DDBDHN COc1ccc(OCCN[C@H]2C(=O)NCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000193634080 201091051 /nfs/dbraw/zinc/09/10/51/201091051.db2.gz JHHADVMOVSGLBB-QMTHXVAHSA-N 0 3 323.349 1.096 20 5 DDBDHN C[C@@](O)(CO)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000619464240 364023922 /nfs/dbraw/zinc/02/39/22/364023922.db2.gz DBNVQFHIOFUAOG-HNNXBMFYSA-N 0 3 306.318 1.688 20 5 DDBDHN C[C@H](NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000091553282 193072539 /nfs/dbraw/zinc/07/25/39/193072539.db2.gz JBWRYHYPIMMCSQ-TUKIKUTGSA-N 0 3 321.377 1.881 20 5 DDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc2c(c1F)CCNC2 ZINC000261760486 203111908 /nfs/dbraw/zinc/11/19/08/203111908.db2.gz QEBQPGPWZCNXCE-UHFFFAOYSA-N 0 3 319.296 1.215 20 5 DDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264603317 204021864 /nfs/dbraw/zinc/02/18/64/204021864.db2.gz FIKOJISBOZOGFU-UHFFFAOYSA-N 0 3 320.393 1.304 20 5 DDBDHN CN1CC[C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000264697666 204086389 /nfs/dbraw/zinc/08/63/89/204086389.db2.gz SQUZSEYDZLHAHP-SNVBAGLBSA-N 0 3 302.334 1.758 20 5 DDBDHN C[C@H](O)C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000264731295 204112243 /nfs/dbraw/zinc/11/22/43/204112243.db2.gz POJNKIGCSORZQE-SWLSCSKDSA-N 0 3 324.377 1.427 20 5 DDBDHN CCCCN(C)CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000112310405 248255543 /nfs/dbraw/zinc/25/55/43/248255543.db2.gz FHRYVHVZGYXYMM-UHFFFAOYSA-N 0 3 309.366 1.822 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000334075897 249205706 /nfs/dbraw/zinc/20/57/06/249205706.db2.gz CRUROQPVJLBCGG-MNOVXSKESA-N 0 3 307.350 1.816 20 5 DDBDHN CN(C)[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000109806996 194288304 /nfs/dbraw/zinc/28/83/04/194288304.db2.gz ZAQSMYHAMPIQPH-LBPRGKRZSA-N 0 3 306.366 1.559 20 5 DDBDHN C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000057701516 184047652 /nfs/dbraw/zinc/04/76/52/184047652.db2.gz NOSLVJJPHBRRPD-NSHDSACASA-N 0 3 306.366 1.606 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000341025439 251344710 /nfs/dbraw/zinc/34/47/10/251344710.db2.gz JCNSXHOKDYJJTC-JSGCOSHPSA-N 0 3 320.393 1.919 20 5 DDBDHN COc1cc(CN2C[C@H](C(N)=O)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352404117 285027885 /nfs/dbraw/zinc/02/78/85/285027885.db2.gz CGCLMCGKIYZDIR-CMPLNLGQSA-N 0 3 307.350 1.689 20 5 DDBDHN COc1cc(CN[C@H](CO)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000359863862 299555136 /nfs/dbraw/zinc/55/51/36/299555136.db2.gz XTIKYQSYDVIWBU-CYBMUJFWSA-N 0 3 310.350 1.481 20 5 DDBDHN COc1ccc(CNC(=O)[C@]2(C)CCCCN2)cc1[N+](=O)[O-] ZINC000272979721 210359145 /nfs/dbraw/zinc/35/91/45/210359145.db2.gz NZTMONVKUPPBJY-HNNXBMFYSA-N 0 3 307.350 1.752 20 5 DDBDHN COC[C@@]1(C(=O)OC)CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000294979688 224355629 /nfs/dbraw/zinc/35/56/29/224355629.db2.gz GKHWKYHRBQJRFA-MRXNPFEDSA-N 0 3 322.361 1.915 20 5 DDBDHN COCCN(C)CCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491262305 533311367 /nfs/dbraw/zinc/31/13/67/533311367.db2.gz MQBRTRLAQNPLTH-TWGQIWQCSA-N 0 3 321.377 1.693 20 5 DDBDHN CC(C)Oc1nc(NCC2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000579733604 422825982 /nfs/dbraw/zinc/82/59/82/422825982.db2.gz LWPCTGMNSVYMAJ-UHFFFAOYSA-N 0 3 306.366 2.451 20 5 DDBDHN CC(C)C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)N(C)C ZINC000114377205 407567814 /nfs/dbraw/zinc/56/78/14/407567814.db2.gz FZHADTMJNIBYJD-GFCCVEGCSA-N 0 3 308.382 1.883 20 5 DDBDHN CN1CCC(NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000078422597 407027143 /nfs/dbraw/zinc/02/71/43/407027143.db2.gz HMWQNXQUSHCECI-UHFFFAOYSA-N 0 3 309.391 1.897 20 5 DDBDHN Cc1cc(C(=O)NCCN2CCC(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104144715 407347424 /nfs/dbraw/zinc/34/74/24/407347424.db2.gz FLSOQFBRPFNEOS-UHFFFAOYSA-N 0 3 320.393 1.947 20 5 DDBDHN C[C@H]1C[C@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)CCN1C ZINC000124661320 407365830 /nfs/dbraw/zinc/36/58/30/407365830.db2.gz KAYBMWKJJWPKLA-NWDGAFQWSA-N 0 3 309.370 1.123 20 5 DDBDHN C[C@@H]1C[C@@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)CCN1C ZINC000124661565 407365949 /nfs/dbraw/zinc/36/59/49/407365949.db2.gz KAYBMWKJJWPKLA-NEPJUHHUSA-N 0 3 309.370 1.123 20 5 DDBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H](N2CCCCC2)C1 ZINC000107628478 407376843 /nfs/dbraw/zinc/37/68/43/407376843.db2.gz NITPQRRINUPAJJ-ZDUSSCGKSA-N 0 3 321.381 1.268 20 5 DDBDHN C[C@H]1C[C@@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000124812242 407370420 /nfs/dbraw/zinc/37/04/20/407370420.db2.gz LLPVMHOMXAFNEL-STQMWFEESA-N 0 3 321.377 1.915 20 5 DDBDHN COc1ccc(C(=O)NC[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000108341337 407384574 /nfs/dbraw/zinc/38/45/74/407384574.db2.gz KSSVFQROQOSGLK-NSHDSACASA-N 0 3 307.350 1.675 20 5 DDBDHN CN1CCN(CCn2cc([N+](=O)[O-])cn2)C2(CCCCC2)C1 ZINC000178402426 407446134 /nfs/dbraw/zinc/44/61/34/407446134.db2.gz BPJWMXLOUZXMPF-UHFFFAOYSA-N 0 3 307.398 1.742 20 5 DDBDHN CCN(CCO)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000270992175 407457434 /nfs/dbraw/zinc/45/74/34/407457434.db2.gz IIDYDENJDAXJQL-UHFFFAOYSA-N 0 3 304.350 1.810 20 5 DDBDHN Cn1ccnc1[C@@H]1CNCCN1Cc1ccccc1[N+](=O)[O-] ZINC000261705439 407587905 /nfs/dbraw/zinc/58/79/05/407587905.db2.gz GRRKFJMOYARQIR-AWEZNQCLSA-N 0 3 301.350 1.475 20 5 DDBDHN NC(=O)C[C@@H](NCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000181941511 306701117 /nfs/dbraw/zinc/70/11/17/306701117.db2.gz IQXAPUXOESIGLX-CYBMUJFWSA-N 0 3 307.350 1.355 20 5 DDBDHN Cn1c(C(=O)Nc2ccc3c(c2F)CCNC3)ccc1[N+](=O)[O-] ZINC000261762236 407603940 /nfs/dbraw/zinc/60/39/40/407603940.db2.gz QHZNZFCMAVAOPI-UHFFFAOYSA-N 0 3 318.308 1.970 20 5 DDBDHN CC(C)OC(=O)C[C@H](NC(=O)CN)c1ccccc1[N+](=O)[O-] ZINC000236768087 407774121 /nfs/dbraw/zinc/77/41/21/407774121.db2.gz KXUCHIFYALNRIL-NSHDSACASA-N 0 3 309.322 1.053 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000132366116 407782416 /nfs/dbraw/zinc/78/24/16/407782416.db2.gz KGCCBBLIHBYOJK-LBPRGKRZSA-N 0 3 309.370 1.090 20 5 DDBDHN CN1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117742697 407853910 /nfs/dbraw/zinc/85/39/10/407853910.db2.gz DLMHRJNTBXDMSX-UHFFFAOYSA-N 0 3 311.769 1.955 20 5 DDBDHN COCCOC[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154377362 408027538 /nfs/dbraw/zinc/02/75/38/408027538.db2.gz MJXZZJCNKWQYLU-BBRMVZONSA-N 0 3 324.377 1.613 20 5 DDBDHN CCOC(=O)c1ccnc(N2CCC[C@@H]2CN(C)C)c1[N+](=O)[O-] ZINC000268603403 408115534 /nfs/dbraw/zinc/11/55/34/408115534.db2.gz KJEUFEXJEYFOKO-LLVKDONJSA-N 0 3 322.365 1.697 20 5 DDBDHN CN(CC(=O)N1CCNC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000175426357 408126801 /nfs/dbraw/zinc/12/68/01/408126801.db2.gz BNTVKKRZWKLROQ-UHFFFAOYSA-N 0 3 306.366 1.241 20 5 DDBDHN Nc1c(C(=O)NC2CCN(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000175840267 408221501 /nfs/dbraw/zinc/22/15/01/408221501.db2.gz IHDNURCZOIXKCE-UHFFFAOYSA-N 0 3 304.350 1.534 20 5 DDBDHN CN(CCOc1ccc(F)cc1)CCn1ccc([N+](=O)[O-])n1 ZINC000176198654 408305672 /nfs/dbraw/zinc/30/56/72/408305672.db2.gz ZHISDWBOUSVFJL-UHFFFAOYSA-N 0 3 308.313 1.941 20 5 DDBDHN COCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000138548748 162131323 /nfs/dbraw/zinc/13/13/23/162131323.db2.gz OFUBRYDTDIXBNG-UHFFFAOYSA-N 0 3 307.350 1.435 20 5 DDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H](O)CN1CCCCC1 ZINC000160458071 408483474 /nfs/dbraw/zinc/48/34/74/408483474.db2.gz ZEXNIVLWHQALCW-OAHLLOKOSA-N 0 3 321.377 1.100 20 5 DDBDHN COc1cccc(C(=O)N2CCN3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000192532347 408604476 /nfs/dbraw/zinc/60/44/76/408604476.db2.gz QMHAKDDIBYTJLU-NSHDSACASA-N 0 3 305.334 1.524 20 5 DDBDHN CN(CCCN(C)Cc1ccco1)CCn1ccc([N+](=O)[O-])n1 ZINC000285811579 408868557 /nfs/dbraw/zinc/86/85/57/408868557.db2.gz VVRYRKWBKLRLCP-UHFFFAOYSA-N 0 3 321.381 1.838 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCN1CCN(CC)CC1 ZINC000192488019 163224888 /nfs/dbraw/zinc/22/48/88/163224888.db2.gz OSQDBCLXFQTKNW-UHFFFAOYSA-N 0 3 310.402 1.169 20 5 DDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCc3n[nH]cc3C2)c([N+](=O)[O-])c1 ZINC000194473389 163284227 /nfs/dbraw/zinc/28/42/27/163284227.db2.gz YUWPMZQNPFIRLY-NSHDSACASA-N 0 3 317.305 1.873 20 5 DDBDHN CCCN(CCN1CCCC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000287633473 409067847 /nfs/dbraw/zinc/06/78/47/409067847.db2.gz ZRZUGJVSUVSHDW-UHFFFAOYSA-N 0 3 309.370 1.276 20 5 DDBDHN C[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283597796 409182714 /nfs/dbraw/zinc/18/27/14/409182714.db2.gz XZXHYEKADYDQED-JTQLQIEISA-N 0 3 324.356 1.920 20 5 DDBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H](CO)[C@H]1CCOC1 ZINC000280262656 409280655 /nfs/dbraw/zinc/28/06/55/409280655.db2.gz JYDXLIMJKBUPFG-JQWIXIFHSA-N 0 3 314.769 1.983 20 5 DDBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000295306762 409424272 /nfs/dbraw/zinc/42/42/72/409424272.db2.gz BLXZGTHVGSVDHE-ZDUSSCGKSA-N 0 3 323.397 1.418 20 5 DDBDHN CCc1nn(C)c(N2CC[C@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000408077592 164219803 /nfs/dbraw/zinc/21/98/03/164219803.db2.gz ZOFPJYDPOXBCCV-LBPRGKRZSA-N 0 3 307.398 1.955 20 5 DDBDHN CC1CCN(C[C@@H](O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000303993183 409559948 /nfs/dbraw/zinc/55/99/48/409559948.db2.gz NRJIMNMEDVDLAV-HNNXBMFYSA-N 0 3 321.377 1.417 20 5 DDBDHN CN(C)CCOCCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000345608995 409706985 /nfs/dbraw/zinc/70/69/85/409706985.db2.gz UHRCJWQQOFTUHB-UHFFFAOYSA-N 0 3 323.393 1.567 20 5 DDBDHN CCN(Cc1ccccn1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305034145 409657070 /nfs/dbraw/zinc/65/70/70/409657070.db2.gz IDKUGBVTDUZGSF-AWEZNQCLSA-N 0 3 305.338 1.069 20 5 DDBDHN CNCc1cccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000297261036 409878975 /nfs/dbraw/zinc/87/89/75/409878975.db2.gz RSDRETHINSCFNH-UHFFFAOYSA-N 0 3 303.322 1.540 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@]1(O)CCN(C)C1 ZINC000342833358 409936272 /nfs/dbraw/zinc/93/62/72/409936272.db2.gz ZDLUVOPLMXRTGG-HNNXBMFYSA-N 0 3 323.349 1.168 20 5 DDBDHN CN1CC=C(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000343311186 410338072 /nfs/dbraw/zinc/33/80/72/410338072.db2.gz ZDFGEUYMJRXCTL-UHFFFAOYSA-N 0 3 307.325 1.655 20 5 DDBDHN O=[N+]([O-])c1cccc(OCCN2CCC(OCCO)CC2)c1 ZINC000339784093 410459893 /nfs/dbraw/zinc/45/98/93/410459893.db2.gz VKEFJFOQBYFFIQ-UHFFFAOYSA-N 0 3 310.350 1.447 20 5 DDBDHN CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CN2CCC1CC2 ZINC000359295902 410582118 /nfs/dbraw/zinc/58/21/18/410582118.db2.gz IDGCSBVEECPMHD-HNNXBMFYSA-N 0 3 303.362 1.690 20 5 DDBDHN CN(C)CCOc1ccccc1CNc1ccncc1[N+](=O)[O-] ZINC000340150350 410710474 /nfs/dbraw/zinc/71/04/74/410710474.db2.gz IUJQFCLIFDEEGI-UHFFFAOYSA-N 0 3 316.361 1.964 20 5 DDBDHN C[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000330649744 410850149 /nfs/dbraw/zinc/85/01/49/410850149.db2.gz JELPDOFQFIXSMW-KYOSRNDESA-N 0 3 310.350 1.037 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CCN1C ZINC000341187159 410923363 /nfs/dbraw/zinc/92/33/63/410923363.db2.gz CGVZSRHUSOHKHF-OCCSQVGLSA-N 0 3 320.393 1.919 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CCN1C ZINC000341187158 410924260 /nfs/dbraw/zinc/92/42/60/410924260.db2.gz CGVZSRHUSOHKHF-JSGCOSHPSA-N 0 3 320.393 1.919 20 5 DDBDHN C[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000353511966 411040066 /nfs/dbraw/zinc/04/00/66/411040066.db2.gz BXQMNSFPYRNQRZ-DOMZBBRYSA-N 0 3 317.393 1.957 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](CCO)c1ccccc1 ZINC000271641326 209085300 /nfs/dbraw/zinc/08/53/00/209085300.db2.gz HGSIWNYOIHMVID-HNNXBMFYSA-N 0 3 317.345 1.470 20 5 DDBDHN O=C1NC(=O)[C@@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]12 ZINC000366571587 418492645 /nfs/dbraw/zinc/49/26/45/418492645.db2.gz XVCOUZARXKHXIS-UXOHQCDBSA-N 0 3 315.329 1.203 20 5 DDBDHN COc1cc(OCC(=O)NC[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000195187013 418554963 /nfs/dbraw/zinc/55/49/63/418554963.db2.gz VEQLIKBXTPNMSS-NSHDSACASA-N 0 3 323.349 1.193 20 5 DDBDHN O=[N+]([O-])c1cc2c(ncnc2N2CCN3CCC2CC3)s1 ZINC000367828915 418641023 /nfs/dbraw/zinc/64/10/23/418641023.db2.gz VTFLBUGDQQUEBV-UHFFFAOYSA-N 0 3 305.363 1.884 20 5 DDBDHN CC1(C)[C@@H](O)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000361414270 418648002 /nfs/dbraw/zinc/64/80/02/418648002.db2.gz ILSFYHKNTIMSRU-FZMZJTMJSA-N 0 3 310.350 1.180 20 5 DDBDHN O=[N+]([O-])c1cccc2ncnc(NCCN3CCCCC3)c21 ZINC000347402006 418639114 /nfs/dbraw/zinc/63/91/14/418639114.db2.gz FQEISXTUTMXWJV-UHFFFAOYSA-N 0 3 301.350 2.436 20 5 DDBDHN COC(=O)C[C@]1(NC/C=C/c2ccccc2[N+](=O)[O-])CCOC1 ZINC000361740268 418704080 /nfs/dbraw/zinc/70/40/80/418704080.db2.gz HDMAIKLHBFDECB-MQDFFIGUSA-N 0 3 320.345 1.920 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F ZINC000383299783 418733424 /nfs/dbraw/zinc/73/34/24/418733424.db2.gz NJPVKHLMORJBGQ-VIFPVBQESA-N 0 3 323.321 1.164 20 5 DDBDHN Cc1c(CN[C@H](C2CC2)[C@@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000423071728 227337541 /nfs/dbraw/zinc/33/75/41/227337541.db2.gz ICDMGJUOXPJSFQ-JKSUJKDBSA-N 0 3 305.378 1.760 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)CCOC(C)C ZINC000571874670 304491719 /nfs/dbraw/zinc/49/17/19/304491719.db2.gz CIOPYDWNAXVKNJ-AWEZNQCLSA-N 0 3 312.366 1.869 20 5 DDBDHN CCCN1CCCN(C(=O)c2[nH]nc(CC)c2[N+](=O)[O-])CC1 ZINC000365417814 418858538 /nfs/dbraw/zinc/85/85/38/418858538.db2.gz BVNCIQQSPXFFRU-UHFFFAOYSA-N 0 3 309.370 1.438 20 5 DDBDHN CCCN1CCCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])CC1 ZINC000365417814 418858543 /nfs/dbraw/zinc/85/85/43/418858543.db2.gz BVNCIQQSPXFFRU-UHFFFAOYSA-N 0 3 309.370 1.438 20 5 DDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000372351425 418860616 /nfs/dbraw/zinc/86/06/16/418860616.db2.gz RXXQAWZWGBXOIU-NWANDNLSSA-N 0 3 321.377 1.502 20 5 DDBDHN CC(C)N(CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000412093747 419654009 /nfs/dbraw/zinc/65/40/09/419654009.db2.gz WPIXOVYHDZAWFK-CYBMUJFWSA-N 0 3 321.377 1.963 20 5 DDBDHN N[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCC1 ZINC000423418536 420045947 /nfs/dbraw/zinc/04/59/47/420045947.db2.gz UUPIIVIABIBYMX-RISCZKNCSA-N 0 3 319.365 1.130 20 5 DDBDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000415510791 420095399 /nfs/dbraw/zinc/09/53/99/420095399.db2.gz ZRUWTWQBJKSRJG-BXKDBHETSA-N 0 3 308.338 1.829 20 5 DDBDHN CNC(=O)[C@@]1(C)CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430284999 420103621 /nfs/dbraw/zinc/10/36/21/420103621.db2.gz QHLGQCIPZHWLAN-HNNXBMFYSA-N 0 3 307.350 1.561 20 5 DDBDHN CN(C)C1(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000416303013 420319605 /nfs/dbraw/zinc/31/96/05/420319605.db2.gz QFQUKTVWOQTJHP-UHFFFAOYSA-N 0 3 303.322 1.295 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC1(CO)CCSCC1 ZINC000459718455 420857256 /nfs/dbraw/zinc/85/72/56/420857256.db2.gz UYFFIJXRKKOHSI-UHFFFAOYSA-N 0 3 312.391 1.951 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CNCCC1(F)F ZINC000449670468 421054637 /nfs/dbraw/zinc/05/46/37/421054637.db2.gz ZWOGIEJGLIORTL-JTQLQIEISA-N 0 3 300.265 1.025 20 5 DDBDHN CNc1nc(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456017550 421089389 /nfs/dbraw/zinc/08/93/89/421089389.db2.gz ZBKHHBNCDGUFIE-NXEZZACHSA-N 0 3 307.354 1.244 20 5 DDBDHN CC(COC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000495954043 421102027 /nfs/dbraw/zinc/10/20/27/421102027.db2.gz YQJLRJCEESSANS-DTWKUNHWSA-N 0 3 320.367 1.505 20 5 DDBDHN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000495958831 421103990 /nfs/dbraw/zinc/10/39/90/421103990.db2.gz XSKUJHNVVKXABG-VHSXEESVSA-N 0 3 304.343 1.744 20 5 DDBDHN CCN(C[C@@H]1CCCN1CC)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000548125582 421404061 /nfs/dbraw/zinc/40/40/61/421404061.db2.gz XLDPXAYESZUCKX-ZDUSSCGKSA-N 0 3 323.397 1.514 20 5 DDBDHN CN1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000551038781 421526411 /nfs/dbraw/zinc/52/64/11/421526411.db2.gz DDKKBKYNUHRGHA-ZDUSSCGKSA-N 0 3 323.393 1.361 20 5 DDBDHN CN(C)CCN(CCN(C)C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000531119375 421623980 /nfs/dbraw/zinc/62/39/80/421623980.db2.gz KIMIKRKIFSNXMH-UHFFFAOYSA-N 0 3 322.409 1.089 20 5 DDBDHN C[C@@H]1CCN(CC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000557418462 421770150 /nfs/dbraw/zinc/77/01/50/421770150.db2.gz CSFQOPXABYETIL-GFCCVEGCSA-N 0 3 306.366 1.465 20 5 DDBDHN C[C@H](O)[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000543141263 421833985 /nfs/dbraw/zinc/83/39/85/421833985.db2.gz USEHCVPIPDLEBB-BFHYXJOUSA-N 0 3 324.377 1.427 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-]CC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000574451844 422110804 /nfs/dbraw/zinc/11/08/04/422110804.db2.gz QCYPIXKQMNIGMW-UHFFFAOYSA-N 0 3 313.379 1.181 20 5 DDBDHN COCCN1CC[C@H](Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000576767207 422377295 /nfs/dbraw/zinc/37/72/95/422377295.db2.gz IADUOLKKZAONQL-LBPRGKRZSA-N 0 3 324.381 1.910 20 5 DDBDHN COCCN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000273959482 274026969 /nfs/dbraw/zinc/02/69/69/274026969.db2.gz FPLHIAZRHDZEGU-UHFFFAOYSA-N 0 3 319.365 1.630 20 5 DDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000299569158 277056553 /nfs/dbraw/zinc/05/65/53/277056553.db2.gz TWYBBGBPBNPAGH-OAHLLOKOSA-N 0 3 318.377 1.338 20 5 DDBDHN Cc1cc(CN(C)C)cc(NC(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000129892525 281360756 /nfs/dbraw/zinc/36/07/56/281360756.db2.gz DRNQTXYAXKCONA-UHFFFAOYSA-N 0 3 317.349 1.951 20 5 DDBDHN C[C@H](NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1cccc([N+](=O)[O-])c1 ZINC000246089357 281951019 /nfs/dbraw/zinc/95/10/19/281951019.db2.gz WKOIZPZWYRYMBU-GLQYFDAESA-N 0 3 321.377 1.881 20 5 DDBDHN COCc1cc([N+](=O)[O-])ccc1N1CCCN([C@H](C)CO)CC1 ZINC000364262036 300364377 /nfs/dbraw/zinc/36/43/77/300364377.db2.gz ABKZKETVDUKCGJ-CYBMUJFWSA-N 0 3 323.393 1.634 20 5 DDBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532140710 303276575 /nfs/dbraw/zinc/27/65/75/303276575.db2.gz RZPWBCMYSSKWNN-RYUDHWBXSA-N 0 3 306.366 1.840 20 5 DDBDHN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000363593318 307032241 /nfs/dbraw/zinc/03/22/41/307032241.db2.gz XYTZNWXWUQWIMD-ZIAGYGMSSA-N 0 3 321.381 1.267 20 5 DDBDHN COc1cccc(N2CCCN(CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000364900486 307053125 /nfs/dbraw/zinc/05/31/25/307053125.db2.gz LPZNFLRNDBYHJP-UHFFFAOYSA-N 0 3 322.409 1.677 20 5 DDBDHN CC(C)[C@H](C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N(C)C ZINC000372235472 307165751 /nfs/dbraw/zinc/16/57/51/307165751.db2.gz IGZWMMIQTMFBMZ-TZMCWYRMSA-N 0 3 323.397 1.541 20 5 DDBDHN CC(C)O[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000564915081 308011900 /nfs/dbraw/zinc/01/19/00/308011900.db2.gz AUPUACRPYZFQNR-UONOGXRCSA-N 0 3 324.377 1.834 20 5 DDBDHN COc1ccc(CC(=O)N2CCN[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000567915693 308099495 /nfs/dbraw/zinc/09/94/95/308099495.db2.gz DOTVVMYDAKMFKQ-GHMZBOCLSA-N 0 3 307.350 1.355 20 5 DDBDHN COc1cccc(C(=O)NC[C@@H](C)N2CCCC2)c1[N+](=O)[O-] ZINC000571487502 308196319 /nfs/dbraw/zinc/19/63/19/308196319.db2.gz PNEWPAPUCPERFZ-LLVKDONJSA-N 0 3 307.350 1.818 20 5 DDBDHN C[C@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000577354987 308381002 /nfs/dbraw/zinc/38/10/02/308381002.db2.gz XFGBMCRAKXVYLJ-RYUDHWBXSA-N 0 3 322.365 1.365 20 5 DDBDHN CN(C)C[C@H](O)CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000584118269 331835739 /nfs/dbraw/zinc/83/57/39/331835739.db2.gz PHKUMBRGCQCDAC-NEPJUHHUSA-N 0 3 321.299 1.710 20 5 DDBDHN COc1ccc(NC(=O)CN[C@]2(C)CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000494242319 534083124 /nfs/dbraw/zinc/08/31/24/534083124.db2.gz RMXAXPQPAWAFPW-MEBBXXQBSA-N 0 3 323.349 1.699 20 5 DDBDHN CCCC[C@H](N)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000154584288 521203429 /nfs/dbraw/zinc/20/34/29/521203429.db2.gz RPQBQYRNKOKQCC-AAEUAGOBSA-N 0 3 321.381 1.520 20 5 DDBDHN CC(C)(C)OC(=O)[C@]1(C)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000459575336 526525883 /nfs/dbraw/zinc/52/58/83/526525883.db2.gz FJAAWLOTPGMXLO-OAHLLOKOSA-N 0 3 324.381 1.845 20 5 DDBDHN CCOC(=O)c1cc(CNCCn2cc([N+](=O)[O-])cn2)[nH]c1C ZINC000295604128 528169410 /nfs/dbraw/zinc/16/94/10/528169410.db2.gz FVGZSHAKUNGFOF-UHFFFAOYSA-N 0 3 321.337 1.394 20 5 DDBDHN COc1ccc(CN[C@@H](C)[C@@H](CO)SC)cc1[N+](=O)[O-] ZINC000152489935 536896791 /nfs/dbraw/zinc/89/67/91/536896791.db2.gz FMZUKHWXHQVROQ-TVQRCGJNSA-N 0 3 300.380 1.805 20 5 DDBDHN C[C@@H](NCCC(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000159256320 697308838 /nfs/dbraw/zinc/30/88/38/697308838.db2.gz LTBUZKBAHFSUIP-GFCCVEGCSA-N 0 3 307.350 1.494 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000194739393 697720113 /nfs/dbraw/zinc/72/01/13/697720113.db2.gz ORHZDCLZAPYEOB-SNVBAGLBSA-N 0 3 308.294 1.327 20 5 DDBDHN Cc1cc(C(=O)NC[C@H](C)N2CCCC2)c(N)c([N+](=O)[O-])c1 ZINC000729520145 699481255 /nfs/dbraw/zinc/48/12/55/699481255.db2.gz OKJCSOSGTPVDFN-NSHDSACASA-N 0 3 306.366 1.700 20 5 DDBDHN COCCN1CC[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000730733780 699514742 /nfs/dbraw/zinc/51/47/42/699514742.db2.gz OBFJHKYNSULUQM-GFCCVEGCSA-N 0 3 324.406 1.602 20 5 DDBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000771817614 701332956 /nfs/dbraw/zinc/33/29/56/701332956.db2.gz HQVJPHLQMNBDML-ZANVPECISA-N 0 3 323.349 1.291 20 5 DDBDHN CC(COC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1)[N+](=O)[O-] ZINC000813104878 702293194 /nfs/dbraw/zinc/29/31/94/702293194.db2.gz SMWOJGIPQBSEQR-WBMJQRKESA-N 0 3 320.345 1.890 20 5 DDBDHN CCc1csc(-n2cc(C(=O)OCC(C)[N+](=O)[O-])cn2)n1 ZINC000813109008 702294860 /nfs/dbraw/zinc/29/48/60/702294860.db2.gz DEKDVNBCIXRJMM-MRVPVSSYSA-N 0 3 310.335 1.713 20 5 DDBDHN CC(COC(=O)Cc1cccc(N2CCCC2=O)c1)[N+](=O)[O-] ZINC000813108292 702295238 /nfs/dbraw/zinc/29/52/38/702295238.db2.gz XGGVCTHDLGNBAK-LLVKDONJSA-N 0 3 306.318 1.564 20 5 DDBDHN CC(COC(=O)CCc1nc(-c2ccncc2)no1)[N+](=O)[O-] ZINC000813109151 702295352 /nfs/dbraw/zinc/29/53/52/702295352.db2.gz GDSBFQIHHQSSGY-VIFPVBQESA-N 0 3 306.278 1.273 20 5 DDBDHN CC(COC(=O)c1ccc(CN2CCCC2=O)cc1)[N+](=O)[O-] ZINC000813110094 702296415 /nfs/dbraw/zinc/29/64/15/702296415.db2.gz SEAXGQKHMKARNE-LLVKDONJSA-N 0 3 306.318 1.631 20 5 DDBDHN Cc1sc2ncc(C(=O)OCC(C)[N+](=O)[O-])c(=O)n2c1C ZINC000813111559 702297347 /nfs/dbraw/zinc/29/73/47/702297347.db2.gz UWBFDSDFZWQBLZ-LURJTMIESA-N 0 3 311.319 1.195 20 5 DDBDHN CC(COC(=O)c1cn(-c2ccc(Cl)cc2)nn1)[N+](=O)[O-] ZINC000813113072 702298017 /nfs/dbraw/zinc/29/80/17/702298017.db2.gz WYXVNGPHXBJLIL-MRVPVSSYSA-N 0 3 310.697 1.743 20 5 DDBDHN CC(COC(=O)c1c[nH]nc1-c1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000813112320 702298075 /nfs/dbraw/zinc/29/80/75/702298075.db2.gz FGJTXNZGGGQSSJ-MRVPVSSYSA-N 0 3 319.273 1.627 20 5 DDBDHN CCN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000869240243 702527541 /nfs/dbraw/zinc/52/75/41/702527541.db2.gz YKTQGIPMKXJAJE-GFCCVEGCSA-N 0 3 309.341 1.829 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccccc2CO)c1 ZINC000843070595 702813194 /nfs/dbraw/zinc/81/31/94/702813194.db2.gz VSRDXSDCZPKWGP-INIZCTEOSA-N 0 3 302.330 1.910 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H](CO)CC(F)(F)F)cc1 ZINC000843089421 702816911 /nfs/dbraw/zinc/81/69/11/702816911.db2.gz STZINOKUGFISFB-ONGXEEELSA-N 0 3 308.256 1.531 20 5 DDBDHN Cc1c(-c2noc(C[C@@H]3CNCCO3)n2)cccc1[N+](=O)[O-] ZINC000843238772 702847669 /nfs/dbraw/zinc/84/76/69/702847669.db2.gz YYXCVZTWQKEDGS-SNVBAGLBSA-N 0 3 304.306 1.484 20 5 DDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531858 706711078 /nfs/dbraw/zinc/71/10/78/706711078.db2.gz MFKDWKKAUYXLPE-WQAKAFBOSA-N 0 3 303.318 1.202 20 5 DDBDHN C[C@@H](CO)C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000844417148 703028529 /nfs/dbraw/zinc/02/85/29/703028529.db2.gz SGDAPMVSDOECJN-BLLLJJGKSA-N 0 3 308.378 1.969 20 5 DDBDHN CC[C@@H]1CN(C)CCCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846972749 703359098 /nfs/dbraw/zinc/35/90/98/703359098.db2.gz MMWKJAPOBYVRCG-HIFRSBDPSA-N 0 3 321.377 1.571 20 5 DDBDHN C[C@@H](C[NH+](C)C)[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848589821 703566743 /nfs/dbraw/zinc/56/67/43/703566743.db2.gz ONSHPKKCGJNACJ-VIFPVBQESA-N 0 3 317.292 1.633 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000869781039 703850668 /nfs/dbraw/zinc/85/06/68/703850668.db2.gz BWLBPPSUNVZVIA-LBPRGKRZSA-N 0 3 321.377 1.478 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2cnc3n2CCCC3)cc1 ZINC000819298061 704103011 /nfs/dbraw/zinc/10/30/11/704103011.db2.gz BRGCQXFOBOVPMV-HNNXBMFYSA-N 0 3 316.361 1.951 20 5 DDBDHN O=C(CN1CCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000822501651 704962078 /nfs/dbraw/zinc/96/20/78/704962078.db2.gz DUVBNRXCBHCCSW-UHFFFAOYSA-N 0 3 307.354 1.051 20 5 DDBDHN COc1c(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)cccc1[N+](=O)[O-] ZINC000874830377 705189298 /nfs/dbraw/zinc/18/92/98/705189298.db2.gz RGOXYZHZWPMWFB-STQMWFEESA-N 0 3 319.361 1.912 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)c(N)c([N+](=O)[O-])c1 ZINC000874839119 705194939 /nfs/dbraw/zinc/19/49/39/705194939.db2.gz TUIMWCDHTLGSAI-STQMWFEESA-N 0 3 318.377 1.794 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000824657289 705500731 /nfs/dbraw/zinc/50/07/31/705500731.db2.gz CHQXJGJTDFBRDW-LLVKDONJSA-N 0 3 309.370 1.089 20 5 DDBDHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000882102121 707498420 /nfs/dbraw/zinc/49/84/20/707498420.db2.gz IJYNLZCOMVEZRD-NXEZZACHSA-N 0 3 319.408 1.417 20 5 DDBDHN CN1CCC[C@@H]2[C@H]1CCN2c1nc2sccn2c1[N+](=O)[O-] ZINC000872779839 707596430 /nfs/dbraw/zinc/59/64/30/707596430.db2.gz IWZUHWKZZBEOFM-NXEZZACHSA-N 0 3 307.379 1.977 20 5 DDBDHN CN(CCNc1cccc(F)c1[N+](=O)[O-])CCOCCO ZINC000882952426 707868805 /nfs/dbraw/zinc/86/88/05/707868805.db2.gz UKWWJYRETUVPBM-UHFFFAOYSA-N 0 3 301.318 1.087 20 5 DDBDHN COC(=O)N1CCC([C@@H](C)NCc2cccnc2[N+](=O)[O-])CC1 ZINC000886145460 708704753 /nfs/dbraw/zinc/70/47/53/708704753.db2.gz YYMPWNREGQIMJE-LLVKDONJSA-N 0 3 322.365 1.946 20 5 DDBDHN C[C@]1(NC(=O)COc2cccc([N+](=O)[O-])c2)CN2CCC1CC2 ZINC000892789697 710499425 /nfs/dbraw/zinc/49/94/25/710499425.db2.gz RWDCPSKCLBPYJR-INIZCTEOSA-N 0 3 319.361 1.574 20 5 DDBDHN C[C@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000928440064 713196837 /nfs/dbraw/zinc/19/68/37/713196837.db2.gz AMGROLIEJPFZIE-TVQRCGJNSA-N 0 3 311.769 2.000 20 5 DDBDHN COc1c([O-])ccc(CN(C)CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000894457120 711130611 /nfs/dbraw/zinc/13/06/11/711130611.db2.gz YSQMQVFTMLPGSF-UHFFFAOYSA-N 0 3 309.366 1.837 20 5 DDBDHN CNc1ccc(C(=O)N[C@@]2(C)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000912384335 711304086 /nfs/dbraw/zinc/30/40/86/711304086.db2.gz VIFRMHCQCSZIQG-INIZCTEOSA-N 0 3 318.377 1.851 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCN1C1CCOCC1 ZINC000896519871 711737182 /nfs/dbraw/zinc/73/71/82/711737182.db2.gz YPRMXKXJGZEQAI-ZDUSSCGKSA-N 0 3 306.366 1.963 20 5 DDBDHN Cn1[nH]c(=O)c2c1CN(CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000931200235 714033537 /nfs/dbraw/zinc/03/35/37/714033537.db2.gz MMMMBJCODDHTFE-UHFFFAOYSA-N 0 3 302.334 1.635 20 5 DDBDHN CC[C@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924774249 714661209 /nfs/dbraw/zinc/66/12/09/714661209.db2.gz AVIPKOAPCMMIGM-CHWSQXEVSA-N 0 3 320.349 1.528 20 5 DDBDHN Cc1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cnn1 ZINC001126251124 738770372 /nfs/dbraw/zinc/77/03/72/738770372.db2.gz UDHWWGCPNAXDRI-UHFFFAOYSA-N 0 3 315.333 1.213 20 5 DDBDHN CC(C)N(C)CC(=O)NC/C=C/CNc1ncccc1[N+](=O)[O-] ZINC001107232699 749662106 /nfs/dbraw/zinc/66/21/06/749662106.db2.gz GBHNXZNCGKAPSW-SNAWJCMRSA-N 0 3 321.381 1.414 20 5 DDBDHN C[C@H](Nc1ncc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CNCCO1 ZINC001170566187 768167138 /nfs/dbraw/zinc/16/71/38/768167138.db2.gz DVMMFALMUKLILM-XVKPBYJWSA-N 0 3 320.271 1.797 20 5 DDBDHN C[C@@H](Nc1ncc2cccc([N+](=O)[O-])c2n1)[C@@H]1CNCCO1 ZINC001170566657 768173114 /nfs/dbraw/zinc/17/31/14/768173114.db2.gz AXNLIHASULEWHD-SKDRFNHKSA-N 0 3 303.322 1.327 20 5 DDBDHN CCc1n[nH]cc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001130723930 767698333 /nfs/dbraw/zinc/69/83/33/767698333.db2.gz AKBBDVCRTMZNJZ-UHFFFAOYSA-N 0 3 317.349 1.400 20 5 DDBDHN CN1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001135487047 771532426 /nfs/dbraw/zinc/53/24/26/771532426.db2.gz ORUSNBOSVSYUOH-UHFFFAOYSA-N 0 3 311.769 1.955 20 5 DDBDHN COC(=O)c1ccnc(Nc2ccc(CN)nc2)c1[N+](=O)[O-] ZINC001160402586 772296957 /nfs/dbraw/zinc/29/69/57/772296957.db2.gz WDOKZGIRXPNFDU-UHFFFAOYSA-N 0 3 303.278 1.374 20 5 DDBDHN CCN(CC)CC(=O)NCCNc1ccc([N+](=O)[O-])cc1F ZINC001093646855 774947451 /nfs/dbraw/zinc/94/74/51/774947451.db2.gz OJFQYVRSJZGQEQ-UHFFFAOYSA-N 0 3 312.345 1.604 20 5 DDBDHN CCN(CC)CC(=O)NCCCNc1nc(C)ccc1[N+](=O)[O-] ZINC001094442112 775879264 /nfs/dbraw/zinc/87/92/64/775879264.db2.gz OACKPOCQXVJSLJ-UHFFFAOYSA-N 0 3 323.397 1.558 20 5 DDBDHN CCN(CC)CC(=O)N(C)CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001101628533 777324756 /nfs/dbraw/zinc/32/47/56/777324756.db2.gz PAQBOVIQCAAJHZ-UHFFFAOYSA-N 0 3 323.397 1.510 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3NC[C@@H]4C[C@@H]43)n2)c1 ZINC001118960067 781284282 /nfs/dbraw/zinc/28/42/82/781284282.db2.gz PMYYOHBMJGLWCF-NURSFMCSSA-N 0 3 316.317 1.858 20 5 DDBDHN Cc1cnc(CN(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C(C)C)o1 ZINC001267501348 838192967 /nfs/dbraw/zinc/19/29/67/838192967.db2.gz PVNDORHJBZEGEB-CHWSQXEVSA-N 0 3 324.381 1.365 20 5 DDBDHN CCCCCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001154651605 861323057 /nfs/dbraw/zinc/32/30/57/861323057.db2.gz HADLAHWUNVVJHN-UHFFFAOYSA-N 0 3 311.386 1.505 20 5 DDBDHN CCOC(=O)c1ccnc(-n2nc(CN)cc2C)c1[N+](=O)[O-] ZINC001156044008 862669604 /nfs/dbraw/zinc/66/96/04/862669604.db2.gz GRHUIXGIPVCVMI-UHFFFAOYSA-N 0 3 305.294 1.119 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1ccns1 ZINC001159113942 865112595 /nfs/dbraw/zinc/11/25/95/865112595.db2.gz TURXHBXNPJQDGV-UHFFFAOYSA-N 0 3 320.374 1.961 20 5 DDBDHN C[C@H](Nc1nccc2ccc([N+](=O)[O-])cc21)[C@@H]1CNCCO1 ZINC001159497463 865350449 /nfs/dbraw/zinc/35/04/49/865350449.db2.gz IHEKKYNQXGUFDZ-HZMBPMFUSA-N 0 3 302.334 1.932 20 5 DDBDHN O=[N+]([O-])c1cc(S(=O)(=O)NCCCN2CCCC2)cs1 ZINC001320582466 866854818 /nfs/dbraw/zinc/85/48/18/866854818.db2.gz ZXMFKCIPYALLHL-UHFFFAOYSA-N 0 3 319.408 1.421 20 5 DDBDHN CN(c1ncc(C(C)(C)C)cc1[N+](=O)[O-])S(=O)(=O)CCN ZINC001164287416 869088148 /nfs/dbraw/zinc/08/81/48/869088148.db2.gz PWYIPZBBRIUQJO-UHFFFAOYSA-N 0 3 316.383 1.012 20 5 DDBDHN CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001340877176 871404494 /nfs/dbraw/zinc/40/44/94/871404494.db2.gz CRXZWLLICMCJAS-GRYCIOLGSA-N 0 3 310.402 1.555 20 5 DDBDHN O=C1CCNC[C@H]1N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246297297 892519714 /nfs/dbraw/zinc/51/97/14/892519714.db2.gz YZHHXQSTXOOHKA-DZGCQCFKSA-N 0 3 303.362 1.363 20 5 DDBDHN Cc1nc(=N)n([C@H](C)Cc2ccccc2[N+](=O)[O-])cc1CN ZINC001254549826 896498084 /nfs/dbraw/zinc/49/80/84/896498084.db2.gz XHMGOIKQPUFMSK-SNVBAGLBSA-N 0 3 301.350 1.842 20 5 DDBDHN Cc1cc(CN(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])sn1 ZINC001265843348 902478761 /nfs/dbraw/zinc/47/87/61/902478761.db2.gz ZJEIODMFQQQVBK-VXGBXAGGSA-N 0 3 312.395 1.055 20 5 DDBDHN O=[N+]([O-])c1ccc(CNCC2(O)CCOCC2)c(Cl)c1 ZINC000162625288 197580010 /nfs/dbraw/zinc/58/00/10/197580010.db2.gz JIHAHBFOOQCBBM-UHFFFAOYSA-N 0 3 300.742 1.879 20 5 DDBDHN CCc1n[nH]c(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000444272740 529465277 /nfs/dbraw/zinc/46/52/77/529465277.db2.gz YXKIKJUWEHJHEG-SNVBAGLBSA-N 0 3 307.354 1.189 20 5 DDBDHN CCc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000444272740 529465279 /nfs/dbraw/zinc/46/52/79/529465279.db2.gz YXKIKJUWEHJHEG-SNVBAGLBSA-N 0 3 307.354 1.189 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])[C@@H]2C1 ZINC000272768232 210171886 /nfs/dbraw/zinc/17/18/86/210171886.db2.gz WYWNPNRHLXLBQG-ZWNOBZJWSA-N 0 3 305.338 1.548 20 5 DDBDHN CN1CC[C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])[C@H]2C1 ZINC000272209566 282317250 /nfs/dbraw/zinc/31/72/50/282317250.db2.gz PXRNYWMHVZGYGQ-UWVGGRQHSA-N 0 3 307.379 1.834 20 5 DDBDHN CN(C)CC(C)(C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000457230179 232019600 /nfs/dbraw/zinc/01/96/00/232019600.db2.gz FBSXFCJTKDXWDM-UHFFFAOYSA-N 0 3 309.322 1.394 20 5 DDBDHN COC[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000181702047 199340792 /nfs/dbraw/zinc/34/07/92/199340792.db2.gz CDSIFFBCRVJEST-LSDHHAIUSA-N 0 3 320.349 1.130 20 5 DDBDHN COC(=O)COc1ccc(CNCCSC)cc1[N+](=O)[O-] ZINC000616088155 362542612 /nfs/dbraw/zinc/54/26/12/362542612.db2.gz LXMSOENMWDYTGP-UHFFFAOYSA-N 0 3 314.363 1.599 20 5 DDBDHN COc1ccc(CC(=O)NC(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000564295908 303992673 /nfs/dbraw/zinc/99/26/73/303992673.db2.gz SHULPJUWEIFPNI-UHFFFAOYSA-N 0 3 309.366 1.602 20 5 DDBDHN Cc1sc(S(=O)(=O)[N-][C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000342522626 282563453 /nfs/dbraw/zinc/56/34/53/282563453.db2.gz GXRVCWOXDVZJKS-QMMMGPOBSA-N 0 3 321.424 1.583 20 5 DDBDHN Cn1cncc1CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000459379237 233145257 /nfs/dbraw/zinc/14/52/57/233145257.db2.gz PDLGEGNAELSWTK-LBPRGKRZSA-N 0 3 316.365 1.452 20 5 DDBDHN C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC1 ZINC000068064868 353084627 /nfs/dbraw/zinc/08/46/27/353084627.db2.gz CDTGHOSFOYHVKR-JTQLQIEISA-N 0 3 317.349 1.685 20 5 DDBDHN Cc1ccc([C@@H](C)NC[C@@H](O)CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000089514842 353774466 /nfs/dbraw/zinc/77/44/66/353774466.db2.gz RNHIHAXAYDNYNE-TZMCWYRMSA-N 0 3 321.377 1.537 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000142976649 354146681 /nfs/dbraw/zinc/14/66/81/354146681.db2.gz DGZGOHQYWOZCRA-NSHDSACASA-N 0 3 307.350 1.818 20 5 DDBDHN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(C2CC2)C1 ZINC000144479293 354154281 /nfs/dbraw/zinc/15/42/81/354154281.db2.gz UMISSTUGGPNSCQ-LLVKDONJSA-N 0 3 305.334 1.327 20 5 DDBDHN Nc1cc(N2CC[C@H](N3CC=CC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587985952 354888847 /nfs/dbraw/zinc/88/88/47/354888847.db2.gz UAFBLRBNVAYGSV-LBPRGKRZSA-N 0 3 304.350 1.120 20 5 DDBDHN CCOc1ccc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590045423 355043583 /nfs/dbraw/zinc/04/35/83/355043583.db2.gz RZCDKFQHFUJLNX-JSGCOSHPSA-N 0 3 319.361 1.770 20 5 DDBDHN CCN1CC[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000591765736 355380354 /nfs/dbraw/zinc/38/03/54/355380354.db2.gz DJKGOBZQGKBLMX-LBPRGKRZSA-N 0 3 320.349 1.134 20 5 DDBDHN Cc1c(CNC(=O)[C@@H]2CNCCC2(F)F)cccc1[N+](=O)[O-] ZINC000591685676 355361654 /nfs/dbraw/zinc/36/16/54/355361654.db2.gz IRSLTGDRKLSPEO-NSHDSACASA-N 0 3 313.304 1.764 20 5 DDBDHN CCCN(C(=O)c1n[nH]c(CC)c1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000592830451 355706131 /nfs/dbraw/zinc/70/61/31/355706131.db2.gz FEGSWKWHMNSGHK-JTQLQIEISA-N 0 3 309.370 1.437 20 5 DDBDHN COC[C@H]1C[C@@H](O)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000593066361 355785772 /nfs/dbraw/zinc/78/57/72/355785772.db2.gz MMBVZCKYSCOZFC-ZIAGYGMSSA-N 0 3 310.350 1.445 20 5 DDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000593448166 355888245 /nfs/dbraw/zinc/88/82/45/355888245.db2.gz IQKQNKYXDNUXEO-AWEZNQCLSA-N 0 3 321.352 1.973 20 5 DDBDHN Cc1cc(N2CCN(CCN(C)C)C(=O)C2)c(F)cc1[N+](=O)[O-] ZINC000593486454 355900578 /nfs/dbraw/zinc/90/05/78/355900578.db2.gz YGAHYUJYOXXNQW-UHFFFAOYSA-N 0 3 324.356 1.253 20 5 DDBDHN NC[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000594451061 356221754 /nfs/dbraw/zinc/22/17/54/356221754.db2.gz FTVUELDAROXFCJ-JTQLQIEISA-N 0 3 320.271 1.403 20 5 DDBDHN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594600566 356261319 /nfs/dbraw/zinc/26/13/19/356261319.db2.gz MFEFLQSWRUFQBP-CHWSQXEVSA-N 0 3 319.365 1.518 20 5 DDBDHN C[C@@H](N[C@H]1CCc2c(nnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594522376 356241836 /nfs/dbraw/zinc/24/18/36/356241836.db2.gz QNQZKFBIAZAKRJ-PWSUYJOCSA-N 0 3 301.350 1.931 20 5 DDBDHN NC[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000594523951 356242135 /nfs/dbraw/zinc/24/21/35/356242135.db2.gz FOZXAIIGYQTUNN-SNVBAGLBSA-N 0 3 320.271 1.326 20 5 DDBDHN NC[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000594523782 356242649 /nfs/dbraw/zinc/24/26/49/356242649.db2.gz DCGSWUKWTDCGLK-VIFPVBQESA-N 0 3 306.244 1.284 20 5 DDBDHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NCc1cc([N+](=O)[O-])ccc1OC ZINC000594919638 356354045 /nfs/dbraw/zinc/35/40/45/356354045.db2.gz IEIVOAYASKSNQZ-OASPWFOLSA-N 0 3 308.334 1.891 20 5 DDBDHN Cc1noc(CN2CCN(C3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595480450 356510619 /nfs/dbraw/zinc/51/06/19/356510619.db2.gz KMVALUJLMYWVBN-NSHDSACASA-N 0 3 324.381 1.576 20 5 DDBDHN O=C(CNC1(CCO)CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000595507883 356523857 /nfs/dbraw/zinc/52/38/57/356523857.db2.gz CBJRBSQDGOVQGQ-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN C[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1CCO ZINC000595695906 356612352 /nfs/dbraw/zinc/61/23/52/356612352.db2.gz JBFUFRFUZJUKGA-RISCZKNCSA-N 0 3 321.377 1.677 20 5 DDBDHN COc1ccc(OCCN[C@@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595786037 356651970 /nfs/dbraw/zinc/65/19/70/356651970.db2.gz YXASLTWUHCVFRH-HUUCEWRRSA-N 0 3 322.361 1.875 20 5 DDBDHN CCN1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000618279326 363562017 /nfs/dbraw/zinc/56/20/17/363562017.db2.gz UJLHZAAOFNQXHT-UHFFFAOYSA-N 0 3 303.366 1.999 20 5 DDBDHN CCN1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596121321 356780928 /nfs/dbraw/zinc/78/09/28/356780928.db2.gz VOWBIKGRCJTAPC-LBPRGKRZSA-N 0 3 306.366 1.980 20 5 DDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596151942 356792650 /nfs/dbraw/zinc/79/26/50/356792650.db2.gz MYSZBNFUPDOZAV-GWCFXTLKSA-N 0 3 306.366 1.470 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000598342332 357545124 /nfs/dbraw/zinc/54/51/24/357545124.db2.gz MDOCILWLKDQCNA-LLVKDONJSA-N 0 3 309.370 1.127 20 5 DDBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1(C)COC1 ZINC000599571623 357978988 /nfs/dbraw/zinc/97/89/88/357978988.db2.gz OAGMOXKFALISAH-LBPRGKRZSA-N 0 3 310.350 1.303 20 5 DDBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180545306 199174631 /nfs/dbraw/zinc/17/46/31/199174631.db2.gz WQRUBPNGLYTCSS-WDEREUQCSA-N 0 3 321.381 1.422 20 5 DDBDHN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000348140568 283387425 /nfs/dbraw/zinc/38/74/25/283387425.db2.gz KWPXWTGAVQMREL-QWHCGFSZSA-N 0 3 321.377 1.962 20 5 DDBDHN O=C1[C@@H](NCCc2ccc([N+](=O)[O-])cc2)C[C@H]2CCCCN12 ZINC000602687832 359125504 /nfs/dbraw/zinc/12/55/04/359125504.db2.gz MTOZMGRVFLMZIM-CABCVRRESA-N 0 3 303.362 1.880 20 5 DDBDHN CC(C)[C@H](NCc1cn(C)nc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000602850059 359238179 /nfs/dbraw/zinc/23/81/79/359238179.db2.gz MPPNBPFKPRPJDM-ZDUSSCGKSA-N 0 3 308.382 1.771 20 5 DDBDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602795105 359197713 /nfs/dbraw/zinc/19/77/13/359197713.db2.gz LIYBLNCIPSKAOQ-FZMZJTMJSA-N 0 3 310.354 1.540 20 5 DDBDHN CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C(C)(C)C ZINC000602873789 359257236 /nfs/dbraw/zinc/25/72/36/359257236.db2.gz LICVFUASNVVYBI-AWEZNQCLSA-N 0 3 322.409 1.419 20 5 DDBDHN CN(C)CC1(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000281043419 216040254 /nfs/dbraw/zinc/04/02/54/216040254.db2.gz JJDAAFXPUMNBPV-UHFFFAOYSA-N 0 3 320.393 1.632 20 5 DDBDHN COc1cc(OCC(=O)N[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000604460833 359752566 /nfs/dbraw/zinc/75/25/66/359752566.db2.gz BJGBKDWZTXLCMQ-NSHDSACASA-N 0 3 323.349 1.193 20 5 DDBDHN COCCN1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000609268827 360285234 /nfs/dbraw/zinc/28/52/34/360285234.db2.gz DMCZXQSFKTUQII-AWEZNQCLSA-N 0 3 321.377 1.364 20 5 DDBDHN CC(C)(CO)N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000610480995 360446726 /nfs/dbraw/zinc/44/67/26/360446726.db2.gz DAXKCYZRFIWTDW-UHFFFAOYSA-N 0 3 323.393 1.362 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(NC[C@H](O)CN2CCC(C)CC2)n1 ZINC000610806953 360540839 /nfs/dbraw/zinc/54/08/39/360540839.db2.gz BFLGXSKCLLEYOE-ZDUSSCGKSA-N 0 3 308.382 1.803 20 5 DDBDHN Cc1nn(C[C@@H](O)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000611508421 360740707 /nfs/dbraw/zinc/74/07/07/360740707.db2.gz FYQBMAJBLHZOSG-AWEZNQCLSA-N 0 3 304.350 1.593 20 5 DDBDHN C[C@@H]1COCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612104186 360921275 /nfs/dbraw/zinc/92/12/75/360921275.db2.gz QTMCVEQIGXTUJV-CHWSQXEVSA-N 0 3 310.350 1.445 20 5 DDBDHN Cc1ccc(S(=O)(=O)N[C@@H]2CNCC[C@H]2C)cc1[N+](=O)[O-] ZINC000193415321 201048960 /nfs/dbraw/zinc/04/89/60/201048960.db2.gz IBFCZTBOKJUCHB-BXKDBHETSA-N 0 3 313.379 1.180 20 5 DDBDHN C[C@](O)(CO)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000619464252 364023893 /nfs/dbraw/zinc/02/38/93/364023893.db2.gz GWTRMIJEJRESFU-OAHLLOKOSA-N 0 3 306.318 1.688 20 5 DDBDHN CC(C)[C@H](CCO)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000274011492 211271725 /nfs/dbraw/zinc/27/17/25/211271725.db2.gz LUVRRVYQLQVSPY-FZMZJTMJSA-N 0 3 309.366 1.918 20 5 DDBDHN CC(C)CN(CCN(C)C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000104529727 194014573 /nfs/dbraw/zinc/01/45/73/194014573.db2.gz VPGAFXUGYMUCDD-UHFFFAOYSA-N 0 3 311.386 1.228 20 5 DDBDHN CN(C[C@H]1CCN(C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000104747408 194033636 /nfs/dbraw/zinc/03/36/36/194033636.db2.gz UXYNTEYXEOSPTL-NSHDSACASA-N 0 3 313.379 1.167 20 5 DDBDHN NC(=O)C[C@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000339136977 250309784 /nfs/dbraw/zinc/30/97/84/250309784.db2.gz NVMKYTOOKRRBMK-GFCCVEGCSA-N 0 3 307.350 1.704 20 5 DDBDHN CCOC(=O)[C@@](C)(O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285275867 218362565 /nfs/dbraw/zinc/36/25/65/218362565.db2.gz IZERAXCPRRCZLS-HNNXBMFYSA-N 0 3 310.350 1.383 20 5 DDBDHN COc1ccc(CNC(=O)C2(N)CCCCC2)cc1[N+](=O)[O-] ZINC000269043371 207192039 /nfs/dbraw/zinc/19/20/39/207192039.db2.gz LGQCZQZORIHOMP-UHFFFAOYSA-N 0 3 307.350 1.881 20 5 DDBDHN C[C@H]1CCCCN1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000063812530 184289013 /nfs/dbraw/zinc/28/90/13/184289013.db2.gz YXKMTMHHGIWMSV-JTQLQIEISA-N 0 3 324.356 1.920 20 5 DDBDHN CNS(=O)(=O)CCCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000352549782 285133194 /nfs/dbraw/zinc/13/31/94/285133194.db2.gz HEFKSOWNRFIJPG-UHFFFAOYSA-N 0 3 315.395 1.008 20 5 DDBDHN CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000120306658 195139917 /nfs/dbraw/zinc/13/99/17/195139917.db2.gz LZZKKRDCLBHVSN-UHFFFAOYSA-N 0 3 320.393 1.877 20 5 DDBDHN COCCCOCCN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000271546910 209001454 /nfs/dbraw/zinc/00/14/54/209001454.db2.gz XNPZIGDAVKAZAZ-UHFFFAOYSA-N 0 3 312.366 1.959 20 5 DDBDHN Cc1cnn([C@@H]2CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000289843487 221264784 /nfs/dbraw/zinc/26/47/84/221264784.db2.gz KFXMEEWSOOKIJT-CYBMUJFWSA-N 0 3 317.349 1.208 20 5 DDBDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414666866 224370428 /nfs/dbraw/zinc/37/04/28/224370428.db2.gz WYBHRPPZINGZNI-SKDRFNHKSA-N 0 3 308.338 1.829 20 5 DDBDHN CO[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451578805 533417066 /nfs/dbraw/zinc/41/70/66/533417066.db2.gz XRDYSKLTIYLPEE-VNHYZAJKSA-N 0 3 324.377 1.691 20 5 DDBDHN O=[N+]([O-])c1ccc2[nH]c(N[C@H](CO)CN3CCCCC3)nc2c1 ZINC000295666509 296509306 /nfs/dbraw/zinc/50/93/06/296509306.db2.gz IZRJZOUTMDAKLG-NSHDSACASA-N 0 3 319.365 1.730 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccn(CCN(C)C)n1 ZINC000569136409 304338587 /nfs/dbraw/zinc/33/85/87/304338587.db2.gz AVNQWPPRYDITIN-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN CCN1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000068127858 406617293 /nfs/dbraw/zinc/61/72/93/406617293.db2.gz AIRUSCUCCFPZMC-UHFFFAOYSA-N 0 3 320.393 1.869 20 5 DDBDHN CC(C)[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070447753 406817312 /nfs/dbraw/zinc/81/73/12/406817312.db2.gz LUOYCCMQGJAKDI-JTQLQIEISA-N 0 3 321.786 1.510 20 5 DDBDHN Cc1ccc([C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])N(C)C)cc1 ZINC000122351745 407298812 /nfs/dbraw/zinc/29/88/12/407298812.db2.gz CPHJQSSNVJPHGF-LBPRGKRZSA-N 0 3 317.349 1.659 20 5 DDBDHN Cc1ccc([C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])N(C)C)cc1 ZINC000122351745 407298813 /nfs/dbraw/zinc/29/88/13/407298813.db2.gz CPHJQSSNVJPHGF-LBPRGKRZSA-N 0 3 317.349 1.659 20 5 DDBDHN CCN1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000104954918 407353112 /nfs/dbraw/zinc/35/31/12/407353112.db2.gz OLZSVEHYDDAIBZ-UHFFFAOYSA-N 0 3 321.377 1.989 20 5 DDBDHN COc1ccc(CNCCn2cnnc2C2CC2)cc1[N+](=O)[O-] ZINC000124312638 407354217 /nfs/dbraw/zinc/35/42/17/407354217.db2.gz KQRJSWKXJQRJQT-UHFFFAOYSA-N 0 3 317.349 1.862 20 5 DDBDHN CCN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000112918197 407449461 /nfs/dbraw/zinc/44/94/61/407449461.db2.gz FXPNZFDGOJZJQF-UHFFFAOYSA-N 0 3 324.356 1.101 20 5 DDBDHN CN(CCc1cnccn1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271411918 407672930 /nfs/dbraw/zinc/67/29/30/407672930.db2.gz YZAFYWMULBOCTJ-OAHLLOKOSA-N 0 3 302.334 1.593 20 5 DDBDHN CN(C)[C@]1(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CCSC1 ZINC000267055020 407730666 /nfs/dbraw/zinc/73/06/66/407730666.db2.gz FVDPNTOWKJOTKM-AWEZNQCLSA-N 0 3 324.406 1.543 20 5 DDBDHN CS[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000271627541 407724874 /nfs/dbraw/zinc/72/48/74/407724874.db2.gz NINLTHNWWAMWJU-CHWSQXEVSA-N 0 3 324.406 1.176 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000171730934 407751804 /nfs/dbraw/zinc/75/18/04/407751804.db2.gz WAWRXJKWWOFGMD-WDEREUQCSA-N 0 3 323.397 1.731 20 5 DDBDHN O=C(NC[C@H]1NCCc2ccccc21)c1cc([N+](=O)[O-])c[nH]1 ZINC000262545433 407862815 /nfs/dbraw/zinc/86/28/15/407862815.db2.gz RRAQKCGCVBWXSP-CQSZACIVSA-N 0 3 300.318 1.540 20 5 DDBDHN CC(C)NC(=O)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173470821 407882169 /nfs/dbraw/zinc/88/21/69/407882169.db2.gz XFEOEDCLGOGLQS-GFCCVEGCSA-N 0 3 321.381 1.391 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CCN1CCCC1 ZINC000153823992 407910367 /nfs/dbraw/zinc/91/03/67/407910367.db2.gz LXTYTUSZAWULED-UHFFFAOYSA-N 0 3 320.393 1.869 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000268253002 407970410 /nfs/dbraw/zinc/97/04/10/407970410.db2.gz XGELCMDOAKECKZ-IAQYHMDHSA-N 0 3 319.361 1.573 20 5 DDBDHN CN1CCC(O)(CNCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000273043224 408032811 /nfs/dbraw/zinc/03/28/11/408032811.db2.gz FHKPLJCQHNYLMS-UHFFFAOYSA-N 0 3 313.785 1.795 20 5 DDBDHN COC[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000136650372 408116351 /nfs/dbraw/zinc/11/63/51/408116351.db2.gz SMHOVADPEDMQJX-YGRLFVJLSA-N 0 3 307.350 1.936 20 5 DDBDHN CN(C)CCn1cc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000143524665 408182737 /nfs/dbraw/zinc/18/27/37/408182737.db2.gz VKXLTNDNAMTZQP-UHFFFAOYSA-N 0 3 318.337 1.997 20 5 DDBDHN C[NH2+]C[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000133215868 162053725 /nfs/dbraw/zinc/05/37/25/162053725.db2.gz LIUIKCAZWYPGGX-MRVPVSSYSA-N 0 3 321.786 1.382 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN(CC(C)(C)O)CC1 ZINC000183320035 408381418 /nfs/dbraw/zinc/38/14/18/408381418.db2.gz VPMDNQIWNKCWNE-UHFFFAOYSA-N 0 3 307.394 1.792 20 5 DDBDHN COCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000264210074 408403962 /nfs/dbraw/zinc/40/39/62/408403962.db2.gz SZXFTRYQLUSUIL-UHFFFAOYSA-N 0 3 309.366 1.553 20 5 DDBDHN CCN(CCO)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000274495311 408426517 /nfs/dbraw/zinc/42/65/17/408426517.db2.gz CVKJKETUHILCLW-UHFFFAOYSA-N 0 3 320.349 1.120 20 5 DDBDHN COc1cc(CN(C)CCn2ccc([N+](=O)[O-])n2)ccc1O ZINC000177049857 408506570 /nfs/dbraw/zinc/50/65/70/408506570.db2.gz UVDBNELPIPVMEJ-UHFFFAOYSA-N 0 3 306.322 1.638 20 5 DDBDHN CN1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000270569301 408584187 /nfs/dbraw/zinc/58/41/87/408584187.db2.gz VASDKLYKMUASMB-UHFFFAOYSA-N 0 3 306.366 1.484 20 5 DDBDHN COC(=O)[C@]1(C)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000177470817 408631127 /nfs/dbraw/zinc/63/11/27/408631127.db2.gz BZCHWPWFIKHAMC-OAHLLOKOSA-N 0 3 308.334 1.859 20 5 DDBDHN CCN1CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000265466656 408661261 /nfs/dbraw/zinc/66/12/61/408661261.db2.gz HFVOEAYYINJYEI-CYBMUJFWSA-N 0 3 320.393 1.949 20 5 DDBDHN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000162807072 408736211 /nfs/dbraw/zinc/73/62/11/408736211.db2.gz IQXDGRQOCSKJBO-WCQYABFASA-N 0 3 319.361 1.499 20 5 DDBDHN CN(CCN(C)C1CC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000185218613 408781634 /nfs/dbraw/zinc/78/16/34/408781634.db2.gz UENLCTLQARFHPN-UHFFFAOYSA-N 0 3 320.393 1.873 20 5 DDBDHN CC(=O)c1ccc(OC[C@H](O)CN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000290797763 408834786 /nfs/dbraw/zinc/83/47/86/408834786.db2.gz PDQXNBHHDRBPMK-CYBMUJFWSA-N 0 3 308.334 1.631 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000285754066 408857359 /nfs/dbraw/zinc/85/73/59/408857359.db2.gz KCJBPZNPLNBSJG-WCQYABFASA-N 0 3 321.381 1.185 20 5 DDBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000286394441 408976945 /nfs/dbraw/zinc/97/69/45/408976945.db2.gz NGZPMGUSUOHRSG-RYUDHWBXSA-N 0 3 323.349 1.513 20 5 DDBDHN CCN1CC[C@H]2OCCN(c3ncc(C)cc3[N+](=O)[O-])[C@H]2C1 ZINC000292814430 409041992 /nfs/dbraw/zinc/04/19/92/409041992.db2.gz OIFJRQOEHCUNEI-UONOGXRCSA-N 0 3 306.366 1.598 20 5 DDBDHN COC(=O)c1cc(C)nc(N2CCC[C@H]2CN(C)C)c1[N+](=O)[O-] ZINC000283421082 409153700 /nfs/dbraw/zinc/15/37/00/409153700.db2.gz ATFPGVNZYMJZTB-NSHDSACASA-N 0 3 322.365 1.615 20 5 DDBDHN COC[C@@H](NCCOc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000279155854 409160278 /nfs/dbraw/zinc/16/02/78/409160278.db2.gz ZHMWAYVNCCININ-TZMCWYRMSA-N 0 3 310.350 1.757 20 5 DDBDHN C[C@@H](CN1CCC[C@@H](C)C1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290684380 409486344 /nfs/dbraw/zinc/48/63/44/409486344.db2.gz SUOMGKJCRMMDKA-MNOVXSKESA-N 0 3 321.381 1.621 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1N1CCCC1 ZINC000331665037 409745359 /nfs/dbraw/zinc/74/53/59/409745359.db2.gz YUWXFRLMEKMZGC-CHWSQXEVSA-N 0 3 324.406 1.575 20 5 DDBDHN CCCN(CCN1CCCCC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000342789409 409908072 /nfs/dbraw/zinc/90/80/72/409908072.db2.gz YCQHYJUCRRAMAQ-UHFFFAOYSA-N 0 3 323.397 1.666 20 5 DDBDHN O=C(NCCN1CCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342930782 410007422 /nfs/dbraw/zinc/00/74/22/410007422.db2.gz VJLXZVANVPIIIM-UHFFFAOYSA-N 0 3 302.334 1.902 20 5 DDBDHN CN1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000297835060 410017693 /nfs/dbraw/zinc/01/76/93/410017693.db2.gz KBGZYYZSJCOHDH-UHFFFAOYSA-N 0 3 317.349 1.782 20 5 DDBDHN COC(=O)[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000346657683 410062093 /nfs/dbraw/zinc/06/20/93/410062093.db2.gz LHCKZTKLSZRNRQ-SMDDNHRTSA-N 0 3 308.334 1.857 20 5 DDBDHN CCCN1CCC[C@@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357553300 410101823 /nfs/dbraw/zinc/10/18/23/410101823.db2.gz UCIKKZUYVMHIBQ-SNVBAGLBSA-N 0 3 307.354 1.375 20 5 DDBDHN C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)N1CCCC[C@@H]1C ZINC000351700902 410159587 /nfs/dbraw/zinc/15/95/87/410159587.db2.gz TUWAYWZQIUKYRJ-STQMWFEESA-N 0 3 323.397 1.561 20 5 DDBDHN CN(C)CCSCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000339740025 410428875 /nfs/dbraw/zinc/42/88/75/410428875.db2.gz DBLXKYLRDCJCKA-UHFFFAOYSA-N 0 3 309.391 1.779 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@](C)(O)CCN(C)C ZINC000352125470 410498507 /nfs/dbraw/zinc/49/85/07/410498507.db2.gz HTLRVTHECPYFDN-HNNXBMFYSA-N 0 3 309.366 1.336 20 5 DDBDHN O=[N+]([O-])c1cccc2ncnc(N3CCCN(CCO)CC3)c21 ZINC000347413296 410532832 /nfs/dbraw/zinc/53/28/32/410532832.db2.gz SMBGPMFMUMCIID-UHFFFAOYSA-N 0 3 317.349 1.042 20 5 DDBDHN CCCN1CCC[C@H]1CNC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000343645197 410592882 /nfs/dbraw/zinc/59/28/82/410592882.db2.gz TVCUNPWHGGQQOE-NSHDSACASA-N 0 3 309.370 1.415 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000340098172 410673743 /nfs/dbraw/zinc/67/37/43/410673743.db2.gz VVPHIMVYLITDJU-GXTWGEPZSA-N 0 3 320.393 1.919 20 5 DDBDHN CCOc1ccc(C(=O)NC[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000347745998 410697429 /nfs/dbraw/zinc/69/74/29/410697429.db2.gz LFLAFXOOBXYZDV-LBPRGKRZSA-N 0 3 307.350 1.818 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(N)C(F)(F)F ZINC000353190557 410840557 /nfs/dbraw/zinc/84/05/57/410840557.db2.gz VRRNFCSEUKZNJX-SECBINFHSA-N 0 3 307.228 1.109 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C)C[C@@H]1C ZINC000330671871 410865596 /nfs/dbraw/zinc/86/55/96/410865596.db2.gz NHCSOZBDFQKIHE-ZDUSSCGKSA-N 0 3 320.393 1.868 20 5 DDBDHN C[C@H](Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)N(C)C ZINC000331088451 410939234 /nfs/dbraw/zinc/93/92/34/410939234.db2.gz SABKUVKNMREOIT-SSDOTTSWSA-N 0 3 304.144 1.469 20 5 DDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417766918 225432044 /nfs/dbraw/zinc/43/20/44/225432044.db2.gz PTUUTVIRGRDDJW-NWDGAFQWSA-N 0 3 306.366 1.529 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C[C@@H]21 ZINC000374821230 418565475 /nfs/dbraw/zinc/56/54/75/418565475.db2.gz DYRXLKABHMWOTP-OTYXRUKQSA-N 0 3 322.340 1.482 20 5 DDBDHN COc1cc(CNCCn2cc([N+](=O)[O-])cn2)cc(OC)c1O ZINC000290504178 418576289 /nfs/dbraw/zinc/57/62/89/418576289.db2.gz WQPOWSUXUFXVMT-UHFFFAOYSA-N 0 3 322.321 1.304 20 5 DDBDHN NC(=O)c1ccc(CN2CC[C@@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000375278911 418624027 /nfs/dbraw/zinc/62/40/27/418624027.db2.gz MNZFQHHWMCQRTR-MRXNPFEDSA-N 0 3 319.361 1.696 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000365595284 418879891 /nfs/dbraw/zinc/87/98/91/418879891.db2.gz CQNHHDLGTGPFLY-STQMWFEESA-N 0 3 323.397 1.061 20 5 DDBDHN Cc1c(CNC(=O)N2C[C@@H](C)NC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000418077337 419512482 /nfs/dbraw/zinc/51/24/82/419512482.db2.gz HPUFCNUQTHVHSU-MNOVXSKESA-N 0 3 306.366 1.795 20 5 DDBDHN CC(C)[C@H]1N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000427188146 419615148 /nfs/dbraw/zinc/61/51/48/419615148.db2.gz WZAHFBFQEGKILY-ZIAGYGMSSA-N 0 3 308.382 1.663 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCCN1C ZINC000421704092 419689968 /nfs/dbraw/zinc/68/99/68/419689968.db2.gz NTQRGJOYUJFVFY-GFCCVEGCSA-N 0 3 307.350 1.770 20 5 DDBDHN CCC[C@@H](NC[C@@H]1CNCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423488444 420059739 /nfs/dbraw/zinc/05/97/39/420059739.db2.gz YYRCHESTAFPLAW-JKSUJKDBSA-N 0 3 306.410 1.929 20 5 DDBDHN Cc1[nH]nc(C(=O)N2C[C@H](N)Cc3ccccc32)c1[N+](=O)[O-] ZINC000424073228 420309683 /nfs/dbraw/zinc/30/96/83/420309683.db2.gz HFMZPDKMTJFVNX-SNVBAGLBSA-N 0 3 301.306 1.157 20 5 DDBDHN CN(C[C@H]1CCCN(C)C1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420604503 420328869 /nfs/dbraw/zinc/32/88/69/420328869.db2.gz RZELMEBIHLPSPR-NSHDSACASA-N 0 3 306.366 1.472 20 5 DDBDHN CCNC(=O)[C@H](C)N[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447507885 420776528 /nfs/dbraw/zinc/77/65/28/420776528.db2.gz JDCDGBGSKIFKQL-SDDRHHMPSA-N 0 3 309.370 1.389 20 5 DDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493498405 420866132 /nfs/dbraw/zinc/86/61/32/420866132.db2.gz QHAYMRZDPYGEOZ-LQKZOZGNSA-N 0 3 307.325 1.956 20 5 DDBDHN CN(C)[C@@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486932207 420993495 /nfs/dbraw/zinc/99/34/95/420993495.db2.gz USARCICMODUAPH-GFCCVEGCSA-N 0 3 303.322 1.785 20 5 DDBDHN COc1ccc(CC(=O)N(C)[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000525524753 421292232 /nfs/dbraw/zinc/29/22/32/421292232.db2.gz JHXJAXUSJHUEMV-ZDUSSCGKSA-N 0 3 321.377 1.699 20 5 DDBDHN CC(COC(=O)C(C)(C)CNC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000497144965 421371692 /nfs/dbraw/zinc/37/16/92/421371692.db2.gz GKEFAWHPOAACAY-SECBINFHSA-N 0 3 304.343 1.746 20 5 DDBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000563916280 421556282 /nfs/dbraw/zinc/55/62/82/421556282.db2.gz LVCGNVMIXUJLQS-ZDUSSCGKSA-N 0 3 306.366 1.936 20 5 DDBDHN Cc1c(C(=O)N(CCN(C)C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000551763128 421541839 /nfs/dbraw/zinc/54/18/39/421541839.db2.gz YEBIEBTZWZCZSL-UHFFFAOYSA-N 0 3 322.409 1.469 20 5 DDBDHN Cc1c(C(=O)N(CCN(C)C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000551763128 421541841 /nfs/dbraw/zinc/54/18/41/421541841.db2.gz YEBIEBTZWZCZSL-UHFFFAOYSA-N 0 3 322.409 1.469 20 5 DDBDHN CN(CCNC(=O)c1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000531627230 421640861 /nfs/dbraw/zinc/64/08/61/421640861.db2.gz APAAZHXHDCVRKH-UHFFFAOYSA-N 0 3 314.345 1.852 20 5 DDBDHN C[C@H]1CCN(CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000572177868 421767100 /nfs/dbraw/zinc/76/71/00/421767100.db2.gz DNQIOUFHBYIYMC-LBPRGKRZSA-N 0 3 321.381 1.297 20 5 DDBDHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCC(=O)N(C)C1 ZINC000520952791 421767865 /nfs/dbraw/zinc/76/78/65/421767865.db2.gz HEWWGDFZYNKUHK-ZDUSSCGKSA-N 0 3 307.350 1.526 20 5 DDBDHN CN(C)CCn1ccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000601023951 422414332 /nfs/dbraw/zinc/41/43/32/422414332.db2.gz IRKRQFKCUDQYLS-UHFFFAOYSA-N 0 3 321.312 1.744 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@]12CCOC2 ZINC000341956084 271259198 /nfs/dbraw/zinc/25/91/98/271259198.db2.gz SKIYNELTTRYQKY-XJKSGUPXSA-N 0 3 322.361 1.589 20 5 DDBDHN CCCN(CCN1CCCC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000342283664 271366300 /nfs/dbraw/zinc/36/63/00/271366300.db2.gz KXKDOHBPTODFGU-UHFFFAOYSA-N 0 3 309.370 1.276 20 5 DDBDHN Cn1c(C(=O)NC[C@H]2N(C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000344620094 272071943 /nfs/dbraw/zinc/07/19/43/272071943.db2.gz RKVRLWARCYTRCK-GFCCVEGCSA-N 0 3 308.382 1.784 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@H]1C(=O)NC ZINC000345819387 272343473 /nfs/dbraw/zinc/34/34/73/272343473.db2.gz PPWOPJJKURYVNF-ZIAGYGMSSA-N 0 3 321.377 1.998 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CSCCN(C)C ZINC000120227041 281115324 /nfs/dbraw/zinc/11/53/24/281115324.db2.gz BCCMNVNRRNCADZ-UHFFFAOYSA-N 0 3 313.379 1.837 20 5 DDBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357918985 299019731 /nfs/dbraw/zinc/01/97/31/299019731.db2.gz ZKYZQTFJWIASOF-GHMZBOCLSA-N 0 3 309.370 1.321 20 5 DDBDHN C[C@H](NCc1c([N+](=O)[O-])ncn1C)[C@@H]1COc2ccccc21 ZINC000363836609 300314608 /nfs/dbraw/zinc/31/46/08/300314608.db2.gz VBIHZVLPSODCCT-JQWIXIFHSA-N 0 3 302.334 1.983 20 5 DDBDHN O=C(NC1CC(N2CCCCC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000365434811 300511874 /nfs/dbraw/zinc/51/18/74/300511874.db2.gz ZXGJAZHAJIXCPL-UHFFFAOYSA-N 0 3 304.350 1.737 20 5 DDBDHN COc1cccc(NC[C@@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000368486707 301038733 /nfs/dbraw/zinc/03/87/33/301038733.db2.gz OVOOCYZDYUSQDC-VXGBXAGGSA-N 0 3 307.350 1.879 20 5 DDBDHN Cn1ccc(N2CC[C@@H](NCc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000371714234 301491314 /nfs/dbraw/zinc/49/13/14/301491314.db2.gz IYOMAZNWIUIOHF-CYBMUJFWSA-N 0 3 301.350 1.697 20 5 DDBDHN CNC(=O)C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000361635017 307001907 /nfs/dbraw/zinc/00/19/07/307001907.db2.gz CWUCKICLNIAEGB-CYBMUJFWSA-N 0 3 317.349 1.258 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000376575953 307248382 /nfs/dbraw/zinc/24/83/82/307248382.db2.gz XRRVOOGMXXXCEK-DOMZBBRYSA-N 0 3 318.377 1.997 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000378474495 307288767 /nfs/dbraw/zinc/28/87/67/307288767.db2.gz RBEOYIPRHRRNOW-YGRLFVJLSA-N 0 3 307.325 1.900 20 5 DDBDHN C[C@@H]1CN(C[C@@H](O)CNCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000565299774 308027453 /nfs/dbraw/zinc/02/74/53/308027453.db2.gz LGJFEVQOWUHJGV-ZENOOKHLSA-N 0 3 323.393 1.155 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)CNCc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000565299773 308027598 /nfs/dbraw/zinc/02/75/98/308027598.db2.gz LGJFEVQOWUHJGV-XJKCOSOUSA-N 0 3 323.393 1.155 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000583103064 337240897 /nfs/dbraw/zinc/24/08/97/337240897.db2.gz YOJJSHUXNCAOID-HNNXBMFYSA-N 0 3 306.366 1.491 20 5 DDBDHN O=C(CCN[C@@H]1C=C[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000583812819 337337366 /nfs/dbraw/zinc/33/73/66/337337366.db2.gz VTYDXKRYJDAQHL-NWDGAFQWSA-N 0 3 305.334 1.450 20 5 DDBDHN O=C1CC[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C2CC2)N1 ZINC000367459753 484538509 /nfs/dbraw/zinc/53/85/09/484538509.db2.gz VRYWVAQQALLLRV-OFQRWUPVSA-N 0 3 319.361 1.275 20 5 DDBDHN Cc1nc(NCCCCN2C[C@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000297616118 534489016 /nfs/dbraw/zinc/48/90/16/534489016.db2.gz VZNVLUZVPQHFFN-RYUDHWBXSA-N 0 3 323.397 1.995 20 5 DDBDHN CC[C@@](C)(CC(=O)OC)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000134050309 696833153 /nfs/dbraw/zinc/83/31/53/696833153.db2.gz MKLKNMUGAOHXLJ-HNNXBMFYSA-N 0 3 323.349 1.855 20 5 DDBDHN C[C@@H]1CN(Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H](C)N1C ZINC000840090292 701962670 /nfs/dbraw/zinc/96/26/70/701962670.db2.gz ODXQCDOOUUBDOQ-TXEJJXNPSA-N 0 3 303.366 1.926 20 5 DDBDHN CC[C@H]1CN(C)CCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000840094481 701966380 /nfs/dbraw/zinc/96/63/80/701966380.db2.gz UMOJYMTZSIKBAX-ZDUSSCGKSA-N 0 3 303.366 1.928 20 5 DDBDHN CC(C)C(=O)Nc1nc(CC(=O)OCC(C)[N+](=O)[O-])cs1 ZINC000813103742 702292337 /nfs/dbraw/zinc/29/23/37/702292337.db2.gz SCHPJECNRSQGGF-QMMMGPOBSA-N 0 3 315.351 1.489 20 5 DDBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccccn1 ZINC000813105532 702292967 /nfs/dbraw/zinc/29/29/67/702292967.db2.gz ODMRIBOGMCOCCE-SNVBAGLBSA-N 0 3 304.306 1.652 20 5 DDBDHN CC(COC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[N+](=O)[O-] ZINC000813108765 702294816 /nfs/dbraw/zinc/29/48/16/702294816.db2.gz LMCNXTSBVWSGBV-VIFPVBQESA-N 0 3 320.261 1.603 20 5 DDBDHN CCc1ccc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813108476 702294930 /nfs/dbraw/zinc/29/49/30/702294930.db2.gz YWCSLFFBBPGLPF-DGCLKSJQSA-N 0 3 320.345 1.810 20 5 DDBDHN CC(COC(=O)c1cccnc1OCC(F)(F)F)[N+](=O)[O-] ZINC000813110699 702297140 /nfs/dbraw/zinc/29/71/40/702297140.db2.gz HQPMLQPKYTZLED-SSDOTTSWSA-N 0 3 308.212 1.845 20 5 DDBDHN CN(CCN1CC2(C1)CCOCC2)c1cc(N)ccc1[N+](=O)[O-] ZINC000866257196 706659251 /nfs/dbraw/zinc/65/92/51/706659251.db2.gz GCMAGVDIASUOEE-UHFFFAOYSA-N 0 3 320.393 1.726 20 5 DDBDHN CN(CCN1CC2(C1)CCOCC2)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000866258256 706659565 /nfs/dbraw/zinc/65/95/65/706659565.db2.gz PLIUWYUVTGRCNA-UHFFFAOYSA-N 0 3 322.365 1.244 20 5 DDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000843893516 702939079 /nfs/dbraw/zinc/93/90/79/702939079.db2.gz OGNNCZXIKKXBTD-MFKMUULPSA-N 0 3 307.325 1.818 20 5 DDBDHN CCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000843992218 702950142 /nfs/dbraw/zinc/95/01/42/702950142.db2.gz BEAPHMVULYXMGV-GFCCVEGCSA-N 0 3 306.366 1.733 20 5 DDBDHN C[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H](C)CN1 ZINC000831546034 706728691 /nfs/dbraw/zinc/72/86/91/706728691.db2.gz HZGXMDVFBXNDEX-MNOVXSKESA-N 0 3 317.349 1.153 20 5 DDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000848351484 703542163 /nfs/dbraw/zinc/54/21/63/703542163.db2.gz DMEYMQSLYYIMTC-CABCVRRESA-N 0 3 318.377 1.924 20 5 DDBDHN Cc1noc(CONC(=N)[C@H](C)OCC(C)C)c1[N+](=O)[O-] ZINC000853675652 704297555 /nfs/dbraw/zinc/29/75/55/704297555.db2.gz ZBWRYPOUOWERGS-VIFPVBQESA-N 0 3 300.315 1.951 20 5 DDBDHN CC(C)(C)N1CC[C@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855163130 704471664 /nfs/dbraw/zinc/47/16/64/704471664.db2.gz SYCVAGYSIKKEFR-KBPBESRZSA-N 0 3 321.377 1.617 20 5 DDBDHN C[C@H]([NH3+])[C@H](C)[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766722 704622538 /nfs/dbraw/zinc/62/25/38/704622538.db2.gz VPIBMWWKKCINPF-YUMQZZPRSA-N 0 3 303.265 1.418 20 5 DDBDHN COc1cccc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874827845 705186168 /nfs/dbraw/zinc/18/61/68/705186168.db2.gz DULZTCRMSKXMSF-OLZOCXBDSA-N 0 3 319.361 1.912 20 5 DDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000874845933 705200192 /nfs/dbraw/zinc/20/01/92/705200192.db2.gz YUROPSXLQFQSHA-LSDHHAIUSA-N 0 3 319.361 1.669 20 5 DDBDHN CCN(C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000823920841 705340141 /nfs/dbraw/zinc/34/01/41/705340141.db2.gz FKVXQOOPXLXMJN-NSHDSACASA-N 0 3 307.354 1.735 20 5 DDBDHN CC(C)N1CCCC[C@@H]1COC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000837613340 707695501 /nfs/dbraw/zinc/69/55/01/707695501.db2.gz UFMKNMFONYSEES-LLVKDONJSA-N 0 3 322.365 1.992 20 5 DDBDHN COc1cc(CNCC[C@H](O)C2CC2)c([N+](=O)[O-])cc1OC ZINC000898206131 708572611 /nfs/dbraw/zinc/57/26/11/708572611.db2.gz LWOXHKLADHINFP-ZDUSSCGKSA-N 0 3 310.350 1.863 20 5 DDBDHN CCN1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910269079 709853175 /nfs/dbraw/zinc/85/31/75/709853175.db2.gz DSOGJLVYQBLFKU-IUODEOHRSA-N 0 3 321.377 1.571 20 5 DDBDHN CCN1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000910296269 709873763 /nfs/dbraw/zinc/87/37/63/709873763.db2.gz UIZVOGHYMIOHEM-CYBMUJFWSA-N 0 3 321.377 1.916 20 5 DDBDHN Cc1ccc(CNC(=O)N2C[C@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000892536846 710454031 /nfs/dbraw/zinc/45/40/31/710454031.db2.gz KYVIOIKRKDIZJU-NWDGAFQWSA-N 0 3 306.366 1.795 20 5 DDBDHN CN1CCCC[C@@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000912237608 711238049 /nfs/dbraw/zinc/23/80/49/711238049.db2.gz LYDOVHZBXBCKGQ-OAHLLOKOSA-N 0 3 320.393 1.921 20 5 DDBDHN CC(=O)c1ccc(N2CC[C@](O)(CN(C)C)C2)c([N+](=O)[O-])c1 ZINC000895009070 711364878 /nfs/dbraw/zinc/36/48/78/711364878.db2.gz OZAVZUMDANKPLW-HNNXBMFYSA-N 0 3 307.350 1.300 20 5 DDBDHN Cc1cc(NC[C@@H]2CCN2C2CCOCC2)ncc1[N+](=O)[O-] ZINC000896521709 711737614 /nfs/dbraw/zinc/73/76/14/711737614.db2.gz LDTTUFGCXZSMSC-ZDUSSCGKSA-N 0 3 306.366 1.963 20 5 DDBDHN C[C@H]1[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000917789286 713514040 /nfs/dbraw/zinc/51/40/40/713514040.db2.gz MLOUYNZUJNVMGO-FZMZJTMJSA-N 0 3 322.365 1.365 20 5 DDBDHN CC(C)N(C)Cc1cc(O[C@H]2CCN(CC[N+](=O)[O-])C2)ccn1 ZINC000931095724 714000203 /nfs/dbraw/zinc/00/02/03/714000203.db2.gz ZIPZVSWCJNWQLT-INIZCTEOSA-N 0 3 322.409 1.652 20 5 DDBDHN O=c1[n-]ccc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001187431271 744567677 /nfs/dbraw/zinc/56/76/77/744567677.db2.gz YRXVFYOONQJKDF-ZDUSSCGKSA-N 0 3 314.345 1.716 20 5 DDBDHN Cc1ccc(C(=O)N(CCO)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000828754085 759778732 /nfs/dbraw/zinc/77/87/32/759778732.db2.gz ZMAXLSCXIGNNLF-UHFFFAOYSA-N 0 3 321.377 1.432 20 5 DDBDHN C[C@@H](Nc1ccnc2c1cccc2[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170566452 768172218 /nfs/dbraw/zinc/17/22/18/768172218.db2.gz ANTHGHFSAJIDBD-YGRLFVJLSA-N 0 3 302.334 1.932 20 5 DDBDHN O=C(Cc1cncs1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001129969762 767084042 /nfs/dbraw/zinc/08/40/42/767084042.db2.gz KAASTCRNYWZPMM-UHFFFAOYSA-N 0 3 320.374 1.500 20 5 DDBDHN CCN(CC)CC(=O)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001093646751 774947597 /nfs/dbraw/zinc/94/75/97/774947597.db2.gz IYZZKTWXNOESMF-UHFFFAOYSA-N 0 3 312.345 1.604 20 5 DDBDHN CC(C)N(C)CC(=O)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001093673958 774987856 /nfs/dbraw/zinc/98/78/56/774987856.db2.gz FRESNCSMDYLTLB-UHFFFAOYSA-N 0 3 312.345 1.602 20 5 DDBDHN CCCN(C)CC(=O)NCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001093788300 775079765 /nfs/dbraw/zinc/07/97/65/775079765.db2.gz XVAUONSLKFTMQG-UHFFFAOYSA-N 0 3 309.370 1.168 20 5 DDBDHN Cc1[nH]cnc1CC(=O)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094525102 775983797 /nfs/dbraw/zinc/98/37/97/775983797.db2.gz XNKAZPLOWYPXDH-UHFFFAOYSA-N 0 3 317.349 1.787 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N[C@H]1C=CS(=O)(=O)C1)CC2 ZINC001172899736 776915206 /nfs/dbraw/zinc/91/52/06/776915206.db2.gz PCUYOEZYKVUONR-KBPBESRZSA-N 0 3 322.386 1.743 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H]2COC[C@H]2O)c1F ZINC001173175049 777034656 /nfs/dbraw/zinc/03/46/56/777034656.db2.gz JQSQFKOVFATEHL-HLUHBDAQSA-N 0 3 314.313 1.023 20 5 DDBDHN Cc1nc(=N)n([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1CN ZINC001173230686 777063804 /nfs/dbraw/zinc/06/38/04/777063804.db2.gz UIZLCHPBNKJVNC-JTQLQIEISA-N 0 3 301.350 1.842 20 5 DDBDHN O=C(NCC1(NCc2ccon2)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001115530871 780217535 /nfs/dbraw/zinc/21/75/35/780217535.db2.gz WDQATYZQBZUIOA-CHWSQXEVSA-N 0 3 322.365 1.249 20 5 DDBDHN Cc1noc(C)c1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001123363935 859196741 /nfs/dbraw/zinc/19/67/41/859196741.db2.gz WMSFGTBDTLBTJS-UHFFFAOYSA-N 0 3 318.333 1.719 20 5 DDBDHN COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3CCCN(C)[C@H]3C2)n1 ZINC001157263709 863690583 /nfs/dbraw/zinc/69/05/83/863690583.db2.gz BLGDZVAIBDNVEI-MNOVXSKESA-N 0 3 307.354 1.232 20 5 DDBDHN CC(C)c1cnc(CNCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001157775233 864128856 /nfs/dbraw/zinc/12/88/56/864128856.db2.gz LQTVLAOTHYHVTA-GHMZBOCLSA-N 0 3 310.354 1.059 20 5 DDBDHN C[C@@H](Nc1ccc2cccc([N+](=O)[O-])c2n1)[C@H]1CNCCO1 ZINC001159498839 865354083 /nfs/dbraw/zinc/35/40/83/865354083.db2.gz RMYXGYNDRNSIAN-ZWNOBZJWSA-N 0 3 302.334 1.932 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1N(C)S(=O)(=O)CCN ZINC001164296585 869097912 /nfs/dbraw/zinc/09/79/12/869097912.db2.gz GDHYVVSIWWOARR-UHFFFAOYSA-N 0 3 301.368 1.245 20 5 DDBDHN COC(=O)Cc1ccc(N[C@H]2CN3CCC2CC3)c([N+](=O)[O-])c1 ZINC001338047625 869765744 /nfs/dbraw/zinc/76/57/44/869765744.db2.gz DSNASBYPKZYHGC-AWEZNQCLSA-N 0 3 319.361 1.816 20 5 DDBDHN C[C@H]1NCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@@H]1C ZINC001340923347 871427042 /nfs/dbraw/zinc/42/70/42/871427042.db2.gz QWUMGQVYOMKFMV-GHMZBOCLSA-N 0 3 309.341 1.875 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(CC1)CNCCO2 ZINC001345118602 873263385 /nfs/dbraw/zinc/26/33/85/873263385.db2.gz CTYYHUVBOWYNDF-UHFFFAOYSA-N 0 3 319.361 1.498 20 5 DDBDHN COC(=O)c1sc([N+](=O)[O-])cc1OC1CCN(C)CC1 ZINC001227541451 883069198 /nfs/dbraw/zinc/06/91/98/883069198.db2.gz FMISSGXOERSTBS-UHFFFAOYSA-N 0 3 300.336 1.916 20 5 DDBDHN OC[C@@H]1CN(Cc2ccc3ccc4cccnc4c3n2)C[C@@H]1O ZINC001232219395 886167241 /nfs/dbraw/zinc/16/72/41/886167241.db2.gz TZIRRFBKKKXJGR-HOCLYGCPSA-N 0 3 309.369 1.568 20 5 DDBDHN C[C@@H]1CN(CCCCNc2c([N+](=O)[O-])cnn2C)C[C@@H](C)O1 ZINC001262360009 900130764 /nfs/dbraw/zinc/13/07/64/900130764.db2.gz RUHMTQZEZYHNKK-VXGBXAGGSA-N 0 3 311.386 1.630 20 5 DDBDHN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CNCCC1(F)F ZINC000449657231 230628177 /nfs/dbraw/zinc/62/81/77/230628177.db2.gz OEHFGLQJELDQPG-LLVKDONJSA-N 0 3 315.276 1.087 20 5 DDBDHN C[C@@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])o2)CCCO1 ZINC000278718877 214351738 /nfs/dbraw/zinc/35/17/38/214351738.db2.gz VVNGCPSVSQBWKN-LLVKDONJSA-N 0 3 311.338 1.419 20 5 DDBDHN CCN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000286637324 219097947 /nfs/dbraw/zinc/09/79/47/219097947.db2.gz SWQZTFPDSBMQKO-CYBMUJFWSA-N 0 3 320.393 1.949 20 5 DDBDHN CN1C(=O)CC[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1=O ZINC000424203320 530041036 /nfs/dbraw/zinc/04/10/36/530041036.db2.gz KBUCXEYXRCEWOA-TXNVCOODSA-N 0 3 303.318 1.345 20 5 DDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000299605314 530055895 /nfs/dbraw/zinc/05/58/95/530055895.db2.gz YCZGWUDRDWCSAS-OAHLLOKOSA-N 0 3 318.377 1.338 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@@H](C)C2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000330780626 232062083 /nfs/dbraw/zinc/06/20/83/232062083.db2.gz XEMGCJOGLCJIGR-VIFPVBQESA-N 0 3 307.354 1.017 20 5 DDBDHN COc1ccc(S(=O)(=O)[N-][C@@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000320480626 290820331 /nfs/dbraw/zinc/82/03/31/290820331.db2.gz GUNPGORFOJFVGK-IUCAKERBSA-N 0 3 317.367 1.008 20 5 DDBDHN COc1cc(C[NH2+][C@@H]2CCC[C@H]2CCO)c([N+](=O)[O-])cc1[O-] ZINC000189951180 186254114 /nfs/dbraw/zinc/25/41/14/186254114.db2.gz VXEUKZZQCLMOBE-CMPLNLGQSA-N 0 3 310.350 1.950 20 5 DDBDHN COCCN(C)CCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000041423026 352307264 /nfs/dbraw/zinc/30/72/64/352307264.db2.gz XMUKVDFFYHCZOU-UHFFFAOYSA-N 0 3 309.366 1.601 20 5 DDBDHN CN1CCC[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000073811937 353272087 /nfs/dbraw/zinc/27/20/87/353272087.db2.gz FOAUTBUMBSDAAO-ZDUSSCGKSA-N 0 3 306.366 1.531 20 5 DDBDHN CCN1CCN(C[C@@H](C)CNc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078632330 353526299 /nfs/dbraw/zinc/52/62/99/353526299.db2.gz NUZWKKBGCFDBRE-AWEZNQCLSA-N 0 3 321.425 1.984 20 5 DDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCN1C ZINC000139638909 354131001 /nfs/dbraw/zinc/13/10/01/354131001.db2.gz CASWZTAWUYCYKL-ZDUSSCGKSA-N 0 3 306.366 1.830 20 5 DDBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)CCN1C ZINC000176868404 198631545 /nfs/dbraw/zinc/63/15/45/198631545.db2.gz NKLJEFKFQBVKBO-QWRGUYRKSA-N 0 3 306.366 1.732 20 5 DDBDHN C[C@@H](CN(C)C)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000588086089 354899888 /nfs/dbraw/zinc/89/98/88/354899888.db2.gz XPJMHPLOOAKYJP-VIFPVBQESA-N 0 3 307.354 1.147 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@@H]2C1 ZINC000590445474 355098876 /nfs/dbraw/zinc/09/88/76/355098876.db2.gz MYSYZPLZJCWVOV-MEBBXXQBSA-N 0 3 314.345 1.852 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000591083761 355245654 /nfs/dbraw/zinc/24/56/54/355245654.db2.gz DPLHDZOLGYCNDL-SLBVQIDZSA-N 0 3 315.373 1.861 20 5 DDBDHN C[C@@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H](C)CN1 ZINC000591433893 355310495 /nfs/dbraw/zinc/31/04/95/355310495.db2.gz HNDNGGKRFUIHHW-HTQZYQBOSA-N 0 3 319.408 1.246 20 5 DDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000591685999 355362213 /nfs/dbraw/zinc/36/22/13/355362213.db2.gz ITZSQSLWSXSNDF-YUMQZZPRSA-N 0 3 301.705 1.678 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)[C@@H]2CCOC2)c1 ZINC000593024620 355772727 /nfs/dbraw/zinc/77/27/27/355772727.db2.gz OVFWNASGSVDUHA-CMPLNLGQSA-N 0 3 308.334 1.896 20 5 DDBDHN CC(C)O[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000593055710 355781467 /nfs/dbraw/zinc/78/14/67/355781467.db2.gz NEUBJXSYZHWDBN-AWEZNQCLSA-N 0 3 309.366 1.646 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)n1 ZINC000594198977 356138586 /nfs/dbraw/zinc/13/85/86/356138586.db2.gz WXAPPBXZEBOZSJ-MNOVXSKESA-N 0 3 307.354 1.075 20 5 DDBDHN NC[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000594451320 356222012 /nfs/dbraw/zinc/22/20/12/356222012.db2.gz KFUFRDYGWRHHJF-SNVBAGLBSA-N 0 3 321.255 1.370 20 5 DDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594419786 356204720 /nfs/dbraw/zinc/20/47/20/356204720.db2.gz RLEVQTSVLOLULK-OLZOCXBDSA-N 0 3 318.377 1.924 20 5 DDBDHN O=[N+]([O-])c1cc([O-])ccc1-n1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000594652787 356275443 /nfs/dbraw/zinc/27/54/43/356275443.db2.gz OQPANERHGDVQKQ-SNVBAGLBSA-N 0 3 303.322 1.423 20 5 DDBDHN Cc1c(CNC(=O)N[C@H](CN)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000594525889 356243456 /nfs/dbraw/zinc/24/34/56/356243456.db2.gz XVYNBPSRROFIHD-SNVBAGLBSA-N 0 3 320.271 1.592 20 5 DDBDHN N[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[C@H]1F ZINC000595260531 356423685 /nfs/dbraw/zinc/42/36/85/356423685.db2.gz BCWPUBJERSDTGE-GHMZBOCLSA-N 0 3 311.313 1.261 20 5 DDBDHN N[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1F ZINC000595261431 356424739 /nfs/dbraw/zinc/42/47/39/356424739.db2.gz ZZADLHGAVCCKPI-GHMZBOCLSA-N 0 3 301.705 1.760 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](CO)C1CCC1 ZINC000595618488 356579899 /nfs/dbraw/zinc/57/98/99/356579899.db2.gz YMQHHJKAOHTOMH-AWEZNQCLSA-N 0 3 307.350 1.592 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC3(COC3)C2)c1 ZINC000595835396 356671439 /nfs/dbraw/zinc/67/14/39/356671439.db2.gz PBWNQLQXYMITQG-ZDUSSCGKSA-N 0 3 308.334 1.057 20 5 DDBDHN O=[N+]([O-])c1cc(CN2CC[C@@H]3COC[C@@H]3C2)c2c(c1)COCO2 ZINC000595830710 356667946 /nfs/dbraw/zinc/66/79/46/356667946.db2.gz LGUJHLHFENSEBX-RISCZKNCSA-N 0 3 320.345 1.930 20 5 DDBDHN N[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@H]1F ZINC000595905323 356700238 /nfs/dbraw/zinc/70/02/38/356700238.db2.gz BRCLYFBWWVYADL-MCIONIFRSA-N 0 3 322.340 1.071 20 5 DDBDHN CN(C)[C@@]1(CNc2c(Cl)cncc2[N+](=O)[O-])CCSC1 ZINC000596149818 356791938 /nfs/dbraw/zinc/79/19/38/356791938.db2.gz RODXDMZQWYHUDJ-GFCCVEGCSA-N 0 3 316.814 1.914 20 5 DDBDHN CCN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000596209672 356815499 /nfs/dbraw/zinc/81/54/99/356815499.db2.gz BAZICVRZUKBSFR-AWEZNQCLSA-N 0 3 306.366 1.830 20 5 DDBDHN CN(C)CCOC1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596125230 356782336 /nfs/dbraw/zinc/78/23/36/356782336.db2.gz MSDULPVIIORQOU-UHFFFAOYSA-N 0 3 309.370 1.119 20 5 DDBDHN COC(=O)CCCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000599325621 357895141 /nfs/dbraw/zinc/89/51/41/357895141.db2.gz HXQXQTYZYXMGSU-GFCCVEGCSA-N 0 3 322.365 1.819 20 5 DDBDHN Cc1ncccc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600764110 358310805 /nfs/dbraw/zinc/31/08/05/358310805.db2.gz XTOFHHWDMFRWAA-CQSZACIVSA-N 0 3 317.345 1.828 20 5 DDBDHN O=[N+]([O-])c1ccc2nccc(N3CCCN(CCO)CC3)c2c1 ZINC000601115032 358408365 /nfs/dbraw/zinc/40/83/65/358408365.db2.gz XWSPAHMRYVDZED-UHFFFAOYSA-N 0 3 316.361 1.647 20 5 DDBDHN O=[N+]([O-])c1cc(F)cnc1N1CCN(c2ccncc2)CC1 ZINC000601101402 358403115 /nfs/dbraw/zinc/40/31/15/358403115.db2.gz QSQSGQMPBNLAOW-UHFFFAOYSA-N 0 3 303.297 1.851 20 5 DDBDHN CC[C@@H]1CN(C)CCCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000601189386 358440033 /nfs/dbraw/zinc/44/00/33/358440033.db2.gz QPAQAWFKLAFQHS-LLVKDONJSA-N 0 3 306.366 1.614 20 5 DDBDHN CCN1CCCC[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181066803 199247552 /nfs/dbraw/zinc/24/75/52/199247552.db2.gz VQYLMASHKWVQSF-LLVKDONJSA-N 0 3 306.366 1.781 20 5 DDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CN1CCNCC1 ZINC000602446283 358982593 /nfs/dbraw/zinc/98/25/93/358982593.db2.gz ALLMVXQJGFNRLQ-UHFFFAOYSA-N 0 3 320.393 1.237 20 5 DDBDHN CSC[C@H](O)CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602961778 359325007 /nfs/dbraw/zinc/32/50/07/359325007.db2.gz CQFFOHMIZIKMSO-OLZOCXBDSA-N 0 3 300.380 1.116 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000604467915 359753589 /nfs/dbraw/zinc/75/35/89/359753589.db2.gz ZNVPXAMLXVSAON-LBPRGKRZSA-N 0 3 306.366 1.634 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1(CN(C)C)CCC1 ZINC000281168060 216126106 /nfs/dbraw/zinc/12/61/06/216126106.db2.gz XMOLODNKBPCMES-UHFFFAOYSA-N 0 3 309.370 1.090 20 5 DDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1cccnc1[N+](=O)[O-] ZINC000608779270 360240973 /nfs/dbraw/zinc/24/09/73/360240973.db2.gz MUTWVFXAFSEGKP-ZDUSSCGKSA-N 0 3 321.381 1.344 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1N1CCCN(C[C@H]2CCCO2)CC1 ZINC000611296530 360693163 /nfs/dbraw/zinc/69/31/63/360693163.db2.gz OBTRIUBXJWHWSQ-OAHLLOKOSA-N 0 3 320.393 1.989 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](C)C[NH+](C)C ZINC000292688285 223202915 /nfs/dbraw/zinc/20/29/15/223202915.db2.gz QAIVFHAVESPPKW-SNVBAGLBSA-N 0 3 315.395 1.379 20 5 DDBDHN CN(C)CCN1CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193384463 201043356 /nfs/dbraw/zinc/04/33/56/201043356.db2.gz DXWIBLTZMSNBKB-UHFFFAOYSA-N 0 3 307.398 1.615 20 5 DDBDHN CN(C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000618895105 363787126 /nfs/dbraw/zinc/78/71/26/363787126.db2.gz VRZJNXNDJCNZIY-UHFFFAOYSA-N 0 3 316.361 1.925 20 5 DDBDHN CC(C)N(C)C[C@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000349774540 284047853 /nfs/dbraw/zinc/04/78/53/284047853.db2.gz IKSMEBMMOAPEGN-NSHDSACASA-N 0 3 315.395 1.602 20 5 DDBDHN C[C@@H](N[C@@H](C)CN1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293592123 296147423 /nfs/dbraw/zinc/14/74/23/296147423.db2.gz FMOSVVVOJTYZON-NWDGAFQWSA-N 0 3 308.382 1.548 20 5 DDBDHN CN(C)CCN(Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000268007700 206390649 /nfs/dbraw/zinc/39/06/49/206390649.db2.gz OVSCUVUYOZYWNC-UHFFFAOYSA-N 0 3 306.322 1.720 20 5 DDBDHN CS[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000270519540 248621015 /nfs/dbraw/zinc/62/10/15/248621015.db2.gz SPLVRQLCNQGSHG-CHWSQXEVSA-N 0 3 324.406 1.295 20 5 DDBDHN CC1CCN(C[C@@H](O)CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000337013034 249315112 /nfs/dbraw/zinc/31/51/12/249315112.db2.gz IQMAOBUYBUPMLB-ZDUSSCGKSA-N 0 3 321.377 1.417 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@@H](N3CCCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000104887874 194049733 /nfs/dbraw/zinc/04/97/33/194049733.db2.gz NWOSROMDOKRRFM-GFCCVEGCSA-N 0 3 318.377 1.796 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000106786755 194251930 /nfs/dbraw/zinc/25/19/30/194251930.db2.gz JXKQSIOHIHFUAJ-LLVKDONJSA-N 0 3 321.381 1.383 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H](N(C)C)C1 ZINC000109808056 194288813 /nfs/dbraw/zinc/28/88/13/194288813.db2.gz IFGAZMWNCCWKGI-AWEZNQCLSA-N 0 3 320.393 1.868 20 5 DDBDHN CCN1CCC(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000120541029 195186603 /nfs/dbraw/zinc/18/66/03/195186603.db2.gz AQLDCBRVCABVJB-UHFFFAOYSA-N 0 3 320.393 1.921 20 5 DDBDHN CCN1CCN(C[C@H](C)CNc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000121625087 195319828 /nfs/dbraw/zinc/31/98/28/195319828.db2.gz BFVHPNCNYMQYKK-CYBMUJFWSA-N 0 3 321.425 1.984 20 5 DDBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(c2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000295652279 533285351 /nfs/dbraw/zinc/28/53/51/533285351.db2.gz GNBOMTOUIUYPKW-STQMWFEESA-N 0 3 321.381 1.383 20 5 DDBDHN COC(=O)[C@](C)(O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547225 533570184 /nfs/dbraw/zinc/57/01/84/533570184.db2.gz KOXZQPCGCBWWTQ-CZUORRHYSA-N 0 3 322.361 1.698 20 5 DDBDHN COc1cc(C)ccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000568381916 304289428 /nfs/dbraw/zinc/28/94/28/304289428.db2.gz DWTXKRQTKFKLKY-CQSZACIVSA-N 0 3 320.349 1.259 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000123492705 407330376 /nfs/dbraw/zinc/33/03/76/407330376.db2.gz CFWJLSFMUFSWES-ZYHUDNBSSA-N 0 3 309.370 1.041 20 5 DDBDHN Cc1nn(C)c(C(=O)N2CCC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000107599567 407377004 /nfs/dbraw/zinc/37/70/04/407377004.db2.gz XMOPOTVEUHYPQQ-GFCCVEGCSA-N 0 3 321.381 1.337 20 5 DDBDHN CN1CCC[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000108341539 407384622 /nfs/dbraw/zinc/38/46/22/407384622.db2.gz GJQQWLLMPAUIDF-GFCCVEGCSA-N 0 3 307.350 1.432 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000178492801 407473380 /nfs/dbraw/zinc/47/33/80/407473380.db2.gz YOYFNIWJLUYDNJ-OAHLLOKOSA-N 0 3 305.378 1.749 20 5 DDBDHN CN(CC1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000170851259 407532250 /nfs/dbraw/zinc/53/22/50/407532250.db2.gz FIZHHEZJJYVMMS-UHFFFAOYSA-N 0 3 306.366 1.591 20 5 DDBDHN C[C@H](NCCC(=O)N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178674092 407540056 /nfs/dbraw/zinc/54/00/56/407540056.db2.gz VFBHUMGLXGZOMM-ZDUSSCGKSA-N 0 3 320.393 1.410 20 5 DDBDHN CCc1n[n-]c(C(=O)NC[C@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000171397333 407681021 /nfs/dbraw/zinc/68/10/21/407681021.db2.gz FHWBLZNPIBGIQU-SNVBAGLBSA-N 0 3 321.337 1.506 20 5 DDBDHN CN(CCN(C)C1CC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000186713432 407753777 /nfs/dbraw/zinc/75/37/77/407753777.db2.gz IISVSFPLNQNLCN-UHFFFAOYSA-N 0 3 310.329 1.482 20 5 DDBDHN Cc1nn(C[C@H](O)CN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000179858431 407838606 /nfs/dbraw/zinc/83/86/06/407838606.db2.gz IFLRJGCOLSEDER-OAHLLOKOSA-N 0 3 316.361 1.519 20 5 DDBDHN Cc1c(CC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000272520987 407961944 /nfs/dbraw/zinc/96/19/44/407961944.db2.gz PWWGFRJQIGPQFO-CZUORRHYSA-N 0 3 317.389 1.998 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000153847734 407918047 /nfs/dbraw/zinc/91/80/47/407918047.db2.gz XWPOYHIRXDBXNN-LBPRGKRZSA-N 0 3 309.370 1.042 20 5 DDBDHN C[C@H]1NCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000262782426 407927122 /nfs/dbraw/zinc/92/71/22/407927122.db2.gz LSMIWGQSSIFKNY-CHWSQXEVSA-N 0 3 320.393 1.996 20 5 DDBDHN Cc1ccc(S(=O)(=O)NCCN(C)C(C)C)cc1[N+](=O)[O-] ZINC000155573070 408183780 /nfs/dbraw/zinc/18/37/80/408183780.db2.gz HHQJNGMEONOWNM-UHFFFAOYSA-N 0 3 315.395 1.522 20 5 DDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000246398234 408245487 /nfs/dbraw/zinc/24/54/87/408245487.db2.gz FGQZCAKNIMSQHN-CMPLNLGQSA-N 0 3 306.366 1.589 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N(C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000269310367 408261713 /nfs/dbraw/zinc/26/17/13/408261713.db2.gz FUMXRFWUNNWROM-UHFFFAOYSA-N 0 3 309.370 1.608 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N(C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000269310367 408261717 /nfs/dbraw/zinc/26/17/17/408261717.db2.gz FUMXRFWUNNWROM-UHFFFAOYSA-N 0 3 309.370 1.608 20 5 DDBDHN CCN1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269327304 408270766 /nfs/dbraw/zinc/27/07/66/408270766.db2.gz DLRKKZXPTHVDSB-UHFFFAOYSA-N 0 3 309.370 1.609 20 5 DDBDHN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCO1 ZINC000183142299 408336268 /nfs/dbraw/zinc/33/62/68/408336268.db2.gz HWPRLAGSQXNNNQ-ABAIWWIYSA-N 0 3 319.361 1.641 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000247511982 408484990 /nfs/dbraw/zinc/48/49/90/408484990.db2.gz VTHTYBKRYNZQCH-WCQYABFASA-N 0 3 323.397 1.431 20 5 DDBDHN C[C@H](c1ccncc1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270551592 408574828 /nfs/dbraw/zinc/57/48/28/408574828.db2.gz BLHSPPCOVNJLTH-RISCZKNCSA-N 0 3 305.338 1.240 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000249599047 408749022 /nfs/dbraw/zinc/74/90/22/408749022.db2.gz XQKFUJGWWZLFAB-OSAQELSMSA-N 0 3 310.350 1.037 20 5 DDBDHN CN(C[C@@H](O)COc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000290869316 408847761 /nfs/dbraw/zinc/84/77/61/408847761.db2.gz ZNTBDLSLMDJGNF-GFCCVEGCSA-N 0 3 317.345 1.977 20 5 DDBDHN C[C@H](c1ccccc1)[C@@H](NCCn1ccc([N+](=O)[O-])n1)C(N)=O ZINC000292180529 408995255 /nfs/dbraw/zinc/99/52/55/408995255.db2.gz MLOSPINVZFCLBK-BXUZGUMPSA-N 0 3 317.349 1.039 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000277833034 409020464 /nfs/dbraw/zinc/02/04/64/409020464.db2.gz IIGRLRWSEGUVDZ-CYBMUJFWSA-N 0 3 321.381 1.233 20 5 DDBDHN C[C@H](N[C@@H]1CCOC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000277900427 409031793 /nfs/dbraw/zinc/03/17/93/409031793.db2.gz OXZJRPDDRNPVKG-COPLHBTASA-N 0 3 307.350 1.936 20 5 DDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279486154 409224486 /nfs/dbraw/zinc/22/44/86/409224486.db2.gz RENRAPWRKUQVIZ-NOZJJQNGSA-N 0 3 324.356 1.728 20 5 DDBDHN C[C@H](O)CN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000284350128 409330685 /nfs/dbraw/zinc/33/06/85/409330685.db2.gz MFSPIUBWGDDFOX-ZWXLGZMVSA-N 0 3 319.405 1.995 20 5 DDBDHN COc1ccc(CN[C@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000295134029 409337202 /nfs/dbraw/zinc/33/72/02/409337202.db2.gz OXOHKEVZNGZZSU-AWEZNQCLSA-N 0 3 323.393 1.540 20 5 DDBDHN CCN1CC[C@@H](N(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1C ZINC000354405379 409831508 /nfs/dbraw/zinc/83/15/08/409831508.db2.gz UQPXDKDFALEWRQ-CMPLNLGQSA-N 0 3 323.397 1.582 20 5 DDBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H](C)C1 ZINC000346224449 409863898 /nfs/dbraw/zinc/86/38/98/409863898.db2.gz NUHFUYOGNIDLPV-LOWVWBTDSA-N 0 3 306.366 1.725 20 5 DDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCN2CCC[C@H]2C1 ZINC000332114504 409897546 /nfs/dbraw/zinc/89/75/46/409897546.db2.gz WTQIKLZOJNIETN-HNNXBMFYSA-N 0 3 318.377 1.627 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CCN1C ZINC000357392602 410010072 /nfs/dbraw/zinc/01/00/72/410010072.db2.gz OAOIUFQQRAXKPC-CHWSQXEVSA-N 0 3 320.393 1.996 20 5 DDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CCN1C1CCN(C)CC1 ZINC000354741677 410051892 /nfs/dbraw/zinc/05/18/92/410051892.db2.gz DAYJDQWWTDZNJD-CYBMUJFWSA-N 0 3 319.409 1.595 20 5 DDBDHN NC(=O)C[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000339139770 410066252 /nfs/dbraw/zinc/06/62/52/410066252.db2.gz JEECMDPSJQFTTQ-GFCCVEGCSA-N 0 3 307.350 1.704 20 5 DDBDHN O=C(CCN1CCC[C@@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000298085588 410105807 /nfs/dbraw/zinc/10/58/07/410105807.db2.gz HQAOSMTZCLYWPR-GFCCVEGCSA-N 0 3 307.350 1.628 20 5 DDBDHN C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C ZINC000339632119 410343535 /nfs/dbraw/zinc/34/35/35/410343535.db2.gz WSMZFLLBZJAREM-BETUJISGSA-N 0 3 320.393 1.948 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000334042896 410625461 /nfs/dbraw/zinc/62/54/61/410625461.db2.gz ZJOOVADPLCQLMS-QWRGUYRKSA-N 0 3 307.350 1.816 20 5 DDBDHN CN1CCC[C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000301084449 410653606 /nfs/dbraw/zinc/65/36/06/410653606.db2.gz DFEHSNJDGBXLLG-JTQLQIEISA-N 0 3 317.349 1.997 20 5 DDBDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000337310862 410709683 /nfs/dbraw/zinc/70/96/83/410709683.db2.gz BOQVATCONKFUIF-OLZOCXBDSA-N 0 3 320.393 1.948 20 5 DDBDHN CCOc1cc(N2CCO[C@@H](CN(C)C)C2)ccc1[N+](=O)[O-] ZINC000301508353 410732969 /nfs/dbraw/zinc/73/29/69/410732969.db2.gz HRNPKHQRAICFMH-ZDUSSCGKSA-N 0 3 309.366 1.760 20 5 DDBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@@H](O)CN1CCC(C)CC1 ZINC000301552009 410745192 /nfs/dbraw/zinc/74/51/92/410745192.db2.gz QTWSUFVOXZSBSF-CQSZACIVSA-N 0 3 308.382 1.803 20 5 DDBDHN CN1CCC(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000331131956 410967438 /nfs/dbraw/zinc/96/74/38/410967438.db2.gz PETCBJKUVIFQFQ-UHFFFAOYSA-N 0 3 313.304 1.626 20 5 DDBDHN O=C1NC(=O)[C@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]12 ZINC000366571585 418492402 /nfs/dbraw/zinc/49/24/02/418492402.db2.gz XVCOUZARXKHXIS-CBSYICTRSA-N 0 3 315.329 1.203 20 5 DDBDHN Cn1cc(N2CC[C@@H](NCc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000374247647 418509227 /nfs/dbraw/zinc/50/92/27/418509227.db2.gz MPEYDMIHMDAUNZ-CYBMUJFWSA-N 0 3 301.350 1.697 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@]1(N(C)C)CCSC1 ZINC000360990198 418560831 /nfs/dbraw/zinc/56/08/31/418560831.db2.gz JNHCASGYNAQSFT-ZDUSSCGKSA-N 0 3 313.427 1.969 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000194505304 222177936 /nfs/dbraw/zinc/17/79/36/222177936.db2.gz ZIGVZZUFCHVAOL-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN C[C@H]1OCC[C@@H]1N(CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000361583626 418686315 /nfs/dbraw/zinc/68/63/15/418686315.db2.gz LPGOJQURIIQLMF-DOMZBBRYSA-N 0 3 310.350 1.445 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000387075512 418742030 /nfs/dbraw/zinc/74/20/30/418742030.db2.gz OCSWWIVORRIIBJ-NSHDSACASA-N 0 3 300.318 1.464 20 5 DDBDHN COCCN(C)C[C@H](O)COc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000390641838 418755148 /nfs/dbraw/zinc/75/51/48/418755148.db2.gz SMWIWRSGFXCWGI-ZDUSSCGKSA-N 0 3 312.366 1.530 20 5 DDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCc3nccn3C2)c([N+](=O)[O-])c1 ZINC000365808099 418911548 /nfs/dbraw/zinc/91/15/48/418911548.db2.gz YDUFCFALWVOWFP-LLVKDONJSA-N 0 3 317.305 1.804 20 5 DDBDHN CCOc1cc(CN2CC[C@H](C(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000420970436 419392774 /nfs/dbraw/zinc/39/27/74/419392774.db2.gz GGCGKUSMWZXDKZ-LBPRGKRZSA-N 0 3 307.350 1.561 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]1CCO ZINC000426230007 419412423 /nfs/dbraw/zinc/41/24/23/419412423.db2.gz JTHPGXCFCIDNLL-QWHCGFSZSA-N 0 3 310.350 1.181 20 5 DDBDHN CON1CCC(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000421205144 419522544 /nfs/dbraw/zinc/52/25/44/419522544.db2.gz GSPIFLSQICMMNO-NSHDSACASA-N 0 3 322.365 1.537 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](CO)[C@@H]1CCCOC1 ZINC000411991887 419548009 /nfs/dbraw/zinc/54/80/09/419548009.db2.gz YMMBJGMKIQLKSO-BXUZGUMPSA-N 0 3 310.350 1.481 20 5 DDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCc3nnnn3CC2)c(F)c1 ZINC000421392507 419594966 /nfs/dbraw/zinc/59/49/66/419594966.db2.gz CBOONJLSZXNVGL-SNVBAGLBSA-N 0 3 306.301 1.215 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(C)CCN(C)C)c1F ZINC000412170219 419707632 /nfs/dbraw/zinc/70/76/32/419707632.db2.gz YVPBJABDGWOVJC-UHFFFAOYSA-N 0 3 313.329 1.305 20 5 DDBDHN O=C(N[C@@H]1CNCCC1(F)F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000423693375 420129869 /nfs/dbraw/zinc/12/98/69/420129869.db2.gz GVCRLRWINOMJNG-SECBINFHSA-N 0 3 319.695 1.975 20 5 DDBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCNC[C@](C)(F)C1 ZINC000420339295 420221315 /nfs/dbraw/zinc/22/13/15/420221315.db2.gz SHBLWHNXZCWTJQ-NHYWBVRUSA-N 0 3 324.356 1.555 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN[C@H](C)C1 ZINC000420343484 420223575 /nfs/dbraw/zinc/22/35/75/420223575.db2.gz ZKCNGBBHTDJSOM-GHMZBOCLSA-N 0 3 322.365 1.224 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCNC[C@@H]2c2ccccc2)c1 ZINC000420398868 420261726 /nfs/dbraw/zinc/26/17/26/420261726.db2.gz HDKCNGOEVUGDHW-OAHLLOKOSA-N 0 3 301.350 1.438 20 5 DDBDHN NC(=O)[C@H]1CCCC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444680612 230119117 /nfs/dbraw/zinc/11/91/17/230119117.db2.gz QIJOHFJRHDQHAL-QWRGUYRKSA-N 0 3 317.349 1.605 20 5 DDBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000457108890 420617468 /nfs/dbraw/zinc/61/74/68/420617468.db2.gz GIXVHPZXYQOKEV-NSHDSACASA-N 0 3 306.366 1.732 20 5 DDBDHN COCC[C@]1(NCc2ccc([N+](=O)[O-])c(OC)c2)CCOC1 ZINC000447396837 420771666 /nfs/dbraw/zinc/77/16/66/420771666.db2.gz XHKBNOHQUPTAHH-HNNXBMFYSA-N 0 3 310.350 1.889 20 5 DDBDHN CCN(CCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1)C1CC1 ZINC000455402811 421008145 /nfs/dbraw/zinc/00/81/45/421008145.db2.gz OWSWPULTSLBMHC-UHFFFAOYSA-N 0 3 307.354 1.246 20 5 DDBDHN CNc1nc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000456019968 421089937 /nfs/dbraw/zinc/08/99/37/421089937.db2.gz IOKUWNFUAOTOEZ-SKDRFNHKSA-N 0 3 319.365 1.244 20 5 DDBDHN CCC[C@H](C)[C@@H](CO)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000564090223 421568847 /nfs/dbraw/zinc/56/88/47/421568847.db2.gz MVTMJRUKAYPYOT-SWLSCSKDSA-N 0 3 323.393 1.944 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000571577373 421728080 /nfs/dbraw/zinc/72/80/80/421728080.db2.gz OWLBBQTYIFDNEC-GHMZBOCLSA-N 0 3 318.377 1.992 20 5 DDBDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000570826067 421672190 /nfs/dbraw/zinc/67/21/90/421672190.db2.gz YPRAOLZBOGRWJA-NSHDSACASA-N 0 3 323.397 1.948 20 5 DDBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000540890980 421773197 /nfs/dbraw/zinc/77/31/97/421773197.db2.gz FDZJNHPNBZWGSJ-LLVKDONJSA-N 0 3 308.382 1.736 20 5 DDBDHN CC1(C)C(=O)N[C@H]1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000573621892 421989570 /nfs/dbraw/zinc/98/95/70/421989570.db2.gz PXCMUFBUDAMCNN-ZDUSSCGKSA-N 0 3 321.381 1.028 20 5 DDBDHN COc1ccc(CN[C@@H](C2CC2)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000422936389 533687262 /nfs/dbraw/zinc/68/72/62/533687262.db2.gz BNIXBNRPQNYNGA-CVEARBPZSA-N 0 3 321.377 1.460 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@]23CCOC3)c1 ZINC000341978023 271264489 /nfs/dbraw/zinc/26/44/89/271264489.db2.gz XFMBTZBXLBURAG-GOEBONIOSA-N 0 3 322.361 1.589 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000344645710 272079003 /nfs/dbraw/zinc/07/90/03/272079003.db2.gz PUIDMORIXLKRFZ-LLVKDONJSA-N 0 3 309.370 1.179 20 5 DDBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CCN(C2CCC2)C1 ZINC000344696846 272093525 /nfs/dbraw/zinc/09/35/25/272093525.db2.gz HRXQGDQDDHDJHR-LLVKDONJSA-N 0 3 321.381 1.275 20 5 DDBDHN C[C@H]1CC[C@H](C)N1CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000345938387 272370454 /nfs/dbraw/zinc/37/04/54/272370454.db2.gz WMMSORNREDMMFW-STQMWFEESA-N 0 3 320.393 1.996 20 5 DDBDHN CCN1CCC(NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269389426 276151185 /nfs/dbraw/zinc/15/11/85/276151185.db2.gz QYSYRTAZVXETEQ-UHFFFAOYSA-N 0 3 309.370 1.655 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]1[C@H]1CCCO1 ZINC000284669842 280394735 /nfs/dbraw/zinc/39/47/35/280394735.db2.gz GUTZNXJURBHRSG-ZIAGYGMSSA-N 0 3 307.350 1.400 20 5 DDBDHN C[C@H](CN1CCCCCC1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000357030594 289582646 /nfs/dbraw/zinc/58/26/46/289582646.db2.gz BCNAEDUJOPJPFM-LLVKDONJSA-N 0 3 309.370 1.323 20 5 DDBDHN COc1ccc(OCCN2CC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000370083097 301272699 /nfs/dbraw/zinc/27/26/99/301272699.db2.gz PLMWZWPMACITSL-INIZCTEOSA-N 0 3 322.361 1.829 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000371825246 301503741 /nfs/dbraw/zinc/50/37/41/301503741.db2.gz QTCZJRGJJODYSE-CVEARBPZSA-N 0 3 305.378 1.939 20 5 DDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000376408519 302074906 /nfs/dbraw/zinc/07/49/06/302074906.db2.gz OOKQAIKSTXJTIW-GWCFXTLKSA-N 0 3 319.365 1.271 20 5 DDBDHN N[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC000399178225 302365509 /nfs/dbraw/zinc/36/55/09/302365509.db2.gz IJZHIYSWDWBQSL-OAHLLOKOSA-N 0 3 318.377 1.371 20 5 DDBDHN CCS(=O)(=O)CCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515498964 302777322 /nfs/dbraw/zinc/77/73/22/302777322.db2.gz LXAJLJZVSQKAQD-ZDUSSCGKSA-N 0 3 312.391 1.997 20 5 DDBDHN CN(C)C[C@H]1CCCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000521518908 302875863 /nfs/dbraw/zinc/87/58/63/302875863.db2.gz UYDPRADEBIYBSK-GFCCVEGCSA-N 0 3 309.370 1.124 20 5 DDBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532140703 303276443 /nfs/dbraw/zinc/27/64/43/303276443.db2.gz RZPWBCMYSSKWNN-NEPJUHHUSA-N 0 3 306.366 1.840 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000371555457 307153292 /nfs/dbraw/zinc/15/32/92/307153292.db2.gz UJOFSJKOXGIUOC-IUODEOHRSA-N 0 3 318.377 1.559 20 5 DDBDHN CCOCC[C@H](O)CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373105551 307178851 /nfs/dbraw/zinc/17/88/51/307178851.db2.gz AMDVVFHJZAYRGF-OCCSQVGLSA-N 0 3 312.370 1.216 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCC[C@@H](CO)C2)c1 ZINC000374047160 307200446 /nfs/dbraw/zinc/20/04/46/307200446.db2.gz ANYIWNKVDZIZNQ-UKRRQHHQSA-N 0 3 324.377 1.429 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCc1nccs1 ZINC000564849027 308008478 /nfs/dbraw/zinc/00/84/78/308008478.db2.gz PPHOHJLOLSDTOT-LLVKDONJSA-N 0 3 323.374 1.623 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H](O)C1CCOCC1 ZINC000569472978 308145340 /nfs/dbraw/zinc/14/53/40/308145340.db2.gz UDUHFCWWMPBLAY-GOEBONIOSA-N 0 3 306.362 1.959 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CCc3ccccc3[C@H]2CN)c1[N+](=O)[O-] ZINC000576400197 308311988 /nfs/dbraw/zinc/31/19/88/308311988.db2.gz AJPVBOKXPZISKV-GFCCVEGCSA-N 0 3 315.333 1.325 20 5 DDBDHN Cc1[nH]nc(C(=O)N2CCc3ccccc3[C@H]2CN)c1[N+](=O)[O-] ZINC000576400197 308311989 /nfs/dbraw/zinc/31/19/89/308311989.db2.gz AJPVBOKXPZISKV-GFCCVEGCSA-N 0 3 315.333 1.325 20 5 DDBDHN O=c1[nH]c(N2C[C@H]3CCC[C@@H](C2)N3)nc2ccc([N+](=O)[O-])cc12 ZINC000582835896 337207303 /nfs/dbraw/zinc/20/73/03/337207303.db2.gz ADQTWMPAJOWWEJ-AOOOYVTPSA-N 0 3 315.333 1.574 20 5 DDBDHN COc1cc(C[NH2+][C@@H]2CCC[C@H](CO)C2)c([N+](=O)[O-])cc1[O-] ZINC000414572655 533897580 /nfs/dbraw/zinc/89/75/80/533897580.db2.gz LODZMVCTYDMASO-CMPLNLGQSA-N 0 3 310.350 1.950 20 5 DDBDHN CCN1CCCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000158198821 521612131 /nfs/dbraw/zinc/61/21/31/521612131.db2.gz MMVMAXYINCXISL-UHFFFAOYSA-N 0 3 320.393 1.869 20 5 DDBDHN CC(C)(C[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1)C(N)=O ZINC000295687059 527231829 /nfs/dbraw/zinc/23/18/29/527231829.db2.gz SHXVCKGNDHYREL-GFCCVEGCSA-N 0 3 323.397 1.405 20 5 DDBDHN CCN1CC[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000413826058 527775291 /nfs/dbraw/zinc/77/52/91/527775291.db2.gz AFENZBMADOVWCN-CQSZACIVSA-N 0 3 318.377 1.757 20 5 DDBDHN COCCNCC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178351542 697423951 /nfs/dbraw/zinc/42/39/51/697423951.db2.gz SSRPGIGTCTYFAR-UHFFFAOYSA-N 0 3 315.757 1.443 20 5 DDBDHN C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000742197773 699866233 /nfs/dbraw/zinc/86/62/33/699866233.db2.gz ZWKCYUDSZIYRGO-SECBINFHSA-N 0 3 303.322 1.247 20 5 DDBDHN COc1ccc(C(=O)NCCN2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000742242116 699869770 /nfs/dbraw/zinc/86/97/70/699869770.db2.gz YVJASPINEBNDMD-NSHDSACASA-N 0 3 307.350 1.818 20 5 DDBDHN CN1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000762721636 700904769 /nfs/dbraw/zinc/90/47/69/700904769.db2.gz BSRKWECKIKRBHI-ZDUSSCGKSA-N 0 3 313.741 1.045 20 5 DDBDHN CC(COC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)[N+](=O)[O-] ZINC000813102049 702291183 /nfs/dbraw/zinc/29/11/83/702291183.db2.gz AGWQFJJNGMFGRN-TZMCWYRMSA-N 0 3 320.345 1.429 20 5 DDBDHN Cc1cc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)ccc1F ZINC000813108140 702294274 /nfs/dbraw/zinc/29/42/74/702294274.db2.gz BBWMQPIBSJIOGW-MNOVXSKESA-N 0 3 324.308 1.695 20 5 DDBDHN CON(C)C(=O)[C@H](C)N[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866400230 706689671 /nfs/dbraw/zinc/68/96/71/706689671.db2.gz ZSQVIDKZGWIFJR-UWVGGRQHSA-N 0 3 313.329 1.663 20 5 DDBDHN Cc1cc(N2CCC[C@@H](OC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nc(C)n1 ZINC000842304155 702700420 /nfs/dbraw/zinc/70/04/20/702700420.db2.gz VIOFRRQLALMYAT-JHJVBQTASA-N 0 3 320.349 1.271 20 5 DDBDHN C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000843059767 702809901 /nfs/dbraw/zinc/80/99/01/702809901.db2.gz NBEHKXIQRBRCBI-XROYCOCOSA-N 0 3 308.256 1.530 20 5 DDBDHN CC[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000843090482 702816927 /nfs/dbraw/zinc/81/69/27/702816927.db2.gz XFFRKSHDBIBMQS-QJPTWQEYSA-N 0 3 322.283 1.920 20 5 DDBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC(=O)N(C)C1 ZINC000846921250 703352092 /nfs/dbraw/zinc/35/20/92/703352092.db2.gz REWZLMBIIVVDEW-KBPBESRZSA-N 0 3 307.350 1.181 20 5 DDBDHN C[C@@H](COC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)N1CCCCC1 ZINC000847960861 703487324 /nfs/dbraw/zinc/48/73/24/703487324.db2.gz PEUISYRFDIGRJJ-LBPRGKRZSA-N 0 3 324.381 1.944 20 5 DDBDHN C[C@@H](NC[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848569838 703563823 /nfs/dbraw/zinc/56/38/23/703563823.db2.gz HUZIMJTXFDCCDN-BXKDBHETSA-N 0 3 320.349 1.811 20 5 DDBDHN CC([C@H](OC(=O)[C@H]1[C@@H]2COC[C@@H]21)c1ccccc1F)[N+](=O)[O-] ZINC000851108339 703780936 /nfs/dbraw/zinc/78/09/36/703780936.db2.gz MFZNZVWLFHEMKY-NSPPNRBMSA-N 0 3 309.293 1.968 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN(CCOCCO)C2CCC2)c1 ZINC000852291383 703998488 /nfs/dbraw/zinc/99/84/88/703998488.db2.gz WBLRVJPBMPZDJU-MRXNPFEDSA-N 0 3 324.377 1.492 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@](O)(C3CC3)C2)c1 ZINC000852500983 704064808 /nfs/dbraw/zinc/06/48/08/704064808.db2.gz HFWBVBZQQYVKLA-HOTGVXAUSA-N 0 3 306.362 1.865 20 5 DDBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000855899216 704505385 /nfs/dbraw/zinc/50/53/85/704505385.db2.gz INGIBXUTYAVJHX-LLVKDONJSA-N 0 3 321.381 1.422 20 5 DDBDHN [NH3+]C[C@@H]([N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000857765968 704622126 /nfs/dbraw/zinc/62/21/26/704622126.db2.gz WAGCQYAPBHWSLS-LLVKDONJSA-N 0 3 315.276 1.420 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC2(CC1)OCCCO2 ZINC000878651696 706456827 /nfs/dbraw/zinc/45/68/27/706456827.db2.gz DONHRLJQYMIENV-UHFFFAOYSA-N 0 3 310.354 1.329 20 5 DDBDHN CS(=O)(=O)[C@H]1C[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000883376570 707987757 /nfs/dbraw/zinc/98/77/57/707987757.db2.gz OJNIWVZPVWFSFR-GIPNMCIBSA-N 0 3 310.375 1.747 20 5 DDBDHN Cc1cnc(N2CC[C@@H]3[C@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC000897221608 708259461 /nfs/dbraw/zinc/25/94/61/708259461.db2.gz NSDXAKLRZJVJLE-CHWSQXEVSA-N 0 3 306.366 1.334 20 5 DDBDHN COCC[C@@H](N)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000884377904 708270352 /nfs/dbraw/zinc/27/03/52/708270352.db2.gz ZKLOQNHETTUABV-CQSZACIVSA-N 0 3 307.350 1.450 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3C[C@]34CCOC4)CC2)cn1 ZINC000885937554 708666703 /nfs/dbraw/zinc/66/67/03/708666703.db2.gz CFRICXNOFBXJQM-CJNGLKHVSA-N 0 3 318.377 1.538 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2CCCN(CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000910284317 709865444 /nfs/dbraw/zinc/86/54/44/709865444.db2.gz NIMKYRAVKUSFPO-NSHDSACASA-N 0 3 323.397 1.827 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2CCCN(CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000910284317 709865447 /nfs/dbraw/zinc/86/54/47/709865447.db2.gz NIMKYRAVKUSFPO-NSHDSACASA-N 0 3 323.397 1.827 20 5 DDBDHN CC1(C)CNCCN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000911847834 711030424 /nfs/dbraw/zinc/03/04/24/711030424.db2.gz RJHXQWQVRBHCEZ-UHFFFAOYSA-N 0 3 309.341 1.877 20 5 DDBDHN CN(CCO)CCN(C)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000894590351 711197965 /nfs/dbraw/zinc/19/79/65/711197965.db2.gz DWDDPODZDOQLDK-UHFFFAOYSA-N 0 3 304.350 1.503 20 5 DDBDHN C[C@@]1(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CN2CCC1CC2 ZINC000912373399 711297855 /nfs/dbraw/zinc/29/78/55/711297855.db2.gz CIWOTYQFCMQDIO-MRXNPFEDSA-N 0 3 321.352 1.877 20 5 DDBDHN COC(=O)Cc1ccc(N[C@@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000895738497 711591127 /nfs/dbraw/zinc/59/11/27/711591127.db2.gz WTPHQFJXUIMQHK-ZYHUDNBSSA-N 0 3 307.350 1.815 20 5 DDBDHN Cc1cc(NC[C@H]2CCN2C2CCOCC2)ncc1[N+](=O)[O-] ZINC000896521708 711737561 /nfs/dbraw/zinc/73/75/61/711737561.db2.gz LDTTUFGCXZSMSC-CYBMUJFWSA-N 0 3 306.366 1.963 20 5 DDBDHN C[C@@H](NCC[N+](=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000905084051 711930989 /nfs/dbraw/zinc/93/09/89/711930989.db2.gz YTPLNLHSBANVKW-GFCCVEGCSA-N 0 3 310.373 1.505 20 5 DDBDHN O=[N+]([O-])c1ccccc1CNCC1(O)CCC2(CC1)OCCO2 ZINC000922624187 714103614 /nfs/dbraw/zinc/10/36/14/714103614.db2.gz VUHDEHKWPSNKEP-UHFFFAOYSA-N 0 3 322.361 1.733 20 5 DDBDHN COCCN(C)CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000931627342 714141888 /nfs/dbraw/zinc/14/18/88/714141888.db2.gz NVLMIROGUDLLCA-GJZGRUSLSA-N 0 3 321.377 1.393 20 5 DDBDHN COC(C)(C)[C@@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000932369201 714319037 /nfs/dbraw/zinc/31/90/37/714319037.db2.gz CZRQILDOFBWPNT-LLVKDONJSA-N 0 3 321.377 1.887 20 5 DDBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)c1[N+](=O)[O-] ZINC001181125089 743073740 /nfs/dbraw/zinc/07/37/40/743073740.db2.gz JAZZXTCUXGXRRQ-CMPLNLGQSA-N 0 3 310.350 1.950 20 5 DDBDHN Cc1nnc([C@H]2CCCN(Cc3cccnc3[N+](=O)[O-])C2)[nH]1 ZINC001192730223 745869653 /nfs/dbraw/zinc/86/96/53/745869653.db2.gz GEOKNURBELMTKR-NSHDSACASA-N 0 3 302.338 1.796 20 5 DDBDHN COCCC1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001129039135 751129724 /nfs/dbraw/zinc/12/97/24/751129724.db2.gz PDCOWKACFIEHKP-UHFFFAOYSA-N 0 3 321.377 1.617 20 5 DDBDHN COC(=O)c1ncc([N+](=O)[O-])c(C)c1-n1ccc([C@H](C)N)n1 ZINC001169231905 762293357 /nfs/dbraw/zinc/29/33/57/762293357.db2.gz WBSZSRLMWCQGMC-QMMMGPOBSA-N 0 3 305.294 1.290 20 5 DDBDHN CCOC(=O)c1ccc(N[C@H](C)[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001170569515 768183220 /nfs/dbraw/zinc/18/32/20/768183220.db2.gz JFTJYBKFDQGVKH-QMTHXVAHSA-N 0 3 323.349 1.560 20 5 DDBDHN O=C(CNc1cc2c(cc1[N+](=O)[O-])CNC2)NCc1ccco1 ZINC001170382683 766291403 /nfs/dbraw/zinc/29/14/03/766291403.db2.gz JVSKVLOASRVQSQ-UHFFFAOYSA-N 0 3 316.317 1.519 20 5 DDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1c[n-][nH]c1=O ZINC001173214234 777068515 /nfs/dbraw/zinc/06/85/15/777068515.db2.gz NRJILVNRLSXEAK-WCQYABFASA-N 0 3 304.350 1.627 20 5 DDBDHN CN(CCNc1ccc([N+](=O)[O-])cc1F)C(=O)CN1CCCC1 ZINC001101633320 777328898 /nfs/dbraw/zinc/32/88/98/777328898.db2.gz LIZYEOJQWKBYLO-UHFFFAOYSA-N 0 3 324.356 1.700 20 5 DDBDHN COc1nc(N2CCNC[C@@H]2c2cccs2)ncc1[N+](=O)[O-] ZINC001156089490 862714066 /nfs/dbraw/zinc/71/40/66/862714066.db2.gz NJHQFLZBJLGELQ-SECBINFHSA-N 0 3 321.362 1.606 20 5 DDBDHN Cc1ccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)cn1 ZINC001123623098 859329594 /nfs/dbraw/zinc/32/95/94/859329594.db2.gz PRGVHICJVMKYOU-UHFFFAOYSA-N 0 3 314.345 1.818 20 5 DDBDHN CC(C)N(CC(=O)N1CCNCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001329489999 863694321 /nfs/dbraw/zinc/69/43/21/863694321.db2.gz BNJCHAVHDRUICK-UHFFFAOYSA-N 0 3 320.393 1.237 20 5 DDBDHN CN1CCN(C(=N)Nc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001157914828 864252661 /nfs/dbraw/zinc/25/26/61/864252661.db2.gz LYSHFGXMSMROHK-UHFFFAOYSA-N 0 3 315.337 1.132 20 5 DDBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCCc2ccc(CN)nc21 ZINC001158652656 864788610 /nfs/dbraw/zinc/78/86/10/864788610.db2.gz SORJXHVDRNTNPA-UHFFFAOYSA-N 0 3 315.333 1.475 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(N[C@@H](C)[C@H]2CNCCO2)nc1Cl ZINC001159496598 865348366 /nfs/dbraw/zinc/34/83/66/865348366.db2.gz KKLHVMGPTABAKA-WCBMZHEXSA-N 0 3 300.746 1.740 20 5 DDBDHN COc1cc([N+](=O)[O-])cnc1NCCCN1CCN(C)CC1 ZINC001161700661 866907317 /nfs/dbraw/zinc/90/73/17/866907317.db2.gz OSABFDMNAMKZCG-UHFFFAOYSA-N 0 3 309.370 1.048 20 5 DDBDHN N[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C[C@H]1F ZINC001165121789 869391516 /nfs/dbraw/zinc/39/15/16/869391516.db2.gz WPQZCQVIZJRBQQ-RNFRBKRXSA-N 0 3 310.663 1.674 20 5 DDBDHN O=[N+]([O-])c1ccc2ccc(N3CC[C@@H]4NCCO[C@H]4C3)nc2c1 ZINC001165270042 869482671 /nfs/dbraw/zinc/48/26/71/869482671.db2.gz VKRHNWPIZDNCHY-ZFWWWQNUSA-N 0 3 314.345 1.710 20 5 DDBDHN Cc1nocc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001165676580 869676639 /nfs/dbraw/zinc/67/66/39/869676639.db2.gz DGANYZABLSZUNU-UHFFFAOYSA-N 0 3 318.333 1.801 20 5 DDBDHN Cc1cccc(C(=O)N2CC(N[C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001304084130 871185444 /nfs/dbraw/zinc/18/54/44/871185444.db2.gz MEYGQWTXXDBCHN-LLVKDONJSA-N 0 3 305.334 1.106 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)NC[C@H]2CCC=CO2)cc1 ZINC001207475300 873313838 /nfs/dbraw/zinc/31/38/38/873313838.db2.gz OFXIEPAMZDFZHQ-RBSFLKMASA-N 0 3 308.334 1.271 20 5 DDBDHN Cc1cc(NC(=O)c2ccnn2CCN(C)C)cc([N+](=O)[O-])c1 ZINC001347656812 874232383 /nfs/dbraw/zinc/23/23/83/874232383.db2.gz BEJGUMNFYHBNBO-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN COC(=O)c1cc(CO[C@H]2CN3CCC2CC3)cc([N+](=O)[O-])c1 ZINC001223688559 881057348 /nfs/dbraw/zinc/05/73/48/881057348.db2.gz OPUGEISRGQELET-HNNXBMFYSA-N 0 3 320.345 1.992 20 5 DDBDHN CC1(CO)CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254474092 896455577 /nfs/dbraw/zinc/45/55/77/896455577.db2.gz LOPWACVBFIPFSU-UHFFFAOYSA-N 0 3 305.378 1.878 20 5 DDBDHN CS[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000330747784 295671194 /nfs/dbraw/zinc/67/11/94/295671194.db2.gz GMCYGFRXFPYEME-NEPJUHHUSA-N 0 3 324.406 1.295 20 5 DDBDHN C[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000305762766 231044083 /nfs/dbraw/zinc/04/40/83/231044083.db2.gz NDMHONBHJREZFC-SMDDNHRTSA-N 0 3 307.350 1.626 20 5 DDBDHN CN1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000096948722 185393599 /nfs/dbraw/zinc/39/35/99/185393599.db2.gz GQYVLZHLQOAHIV-UHFFFAOYSA-N 0 3 320.393 1.951 20 5 DDBDHN CC[C@H](C)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000295896616 529700682 /nfs/dbraw/zinc/70/06/82/529700682.db2.gz CVPFDEXMNBMDAD-ZDUSSCGKSA-N 0 3 308.382 1.173 20 5 DDBDHN CO[C@]1(C)C[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000296290087 282368407 /nfs/dbraw/zinc/36/84/07/282368407.db2.gz PBBLIZJFFVNODM-XJKSGUPXSA-N 0 3 321.377 1.987 20 5 DDBDHN O=[N+]([O-])c1c2cccnc2ccc1N1CCCN(CCO)CC1 ZINC000171506799 186170336 /nfs/dbraw/zinc/17/03/36/186170336.db2.gz XNOHXTPDDCUBRT-UHFFFAOYSA-N 0 3 316.361 1.647 20 5 DDBDHN CC[C@H](CN1CCCC1)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000617407243 363090812 /nfs/dbraw/zinc/09/08/12/363090812.db2.gz OLBYEDWAWRMKTG-LLVKDONJSA-N 0 3 309.370 1.415 20 5 DDBDHN Cn1cc(CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000331695996 234007793 /nfs/dbraw/zinc/00/77/93/234007793.db2.gz YXETWVJRKUWWKS-UHFFFAOYSA-N 0 3 304.354 1.404 20 5 DDBDHN CC1CCN(CCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000046955683 352472600 /nfs/dbraw/zinc/47/26/00/352472600.db2.gz STHSANNMMFKNEG-UHFFFAOYSA-N 0 3 305.378 1.985 20 5 DDBDHN CN(CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000058858038 352854695 /nfs/dbraw/zinc/85/46/95/352854695.db2.gz RQYIVULGSFWPMY-UHFFFAOYSA-N 0 3 320.393 1.997 20 5 DDBDHN COC[C@](C)(O)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000069912461 353176001 /nfs/dbraw/zinc/17/60/01/353176001.db2.gz XQMVGVJGTCYNES-CQSZACIVSA-N 0 3 314.338 1.099 20 5 DDBDHN CCNC(=O)CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174242480 198310122 /nfs/dbraw/zinc/31/01/22/198310122.db2.gz NEHSBNSDQXUSNT-UHFFFAOYSA-N 0 3 321.377 1.964 20 5 DDBDHN C[C@@H]1CCCN(CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000079914610 353581803 /nfs/dbraw/zinc/58/18/03/353581803.db2.gz OXQIHQHUSVPXJH-LLVKDONJSA-N 0 3 306.366 1.838 20 5 DDBDHN Cc1cnc(NC2CCN([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000089602811 353776414 /nfs/dbraw/zinc/77/64/14/353776414.db2.gz GDTMEEMXTOWAKG-ZDUSSCGKSA-N 0 3 306.366 1.963 20 5 DDBDHN CCN1CCN(C[C@H](C)CNc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000092612743 353863422 /nfs/dbraw/zinc/86/34/22/353863422.db2.gz LHWMIYAVXDYZCA-CYBMUJFWSA-N 0 3 321.425 1.984 20 5 DDBDHN CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000141294333 354139468 /nfs/dbraw/zinc/13/94/68/354139468.db2.gz MGMUEDQBEFICQX-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1C[C@H](O)CN(C)Cc1ccccc1 ZINC000305356029 354469999 /nfs/dbraw/zinc/46/99/99/354469999.db2.gz XQCPFLCLCZDWQV-CQSZACIVSA-N 0 3 304.350 1.593 20 5 DDBDHN O=C(COC1CNC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000565038459 304038663 /nfs/dbraw/zinc/03/86/63/304038663.db2.gz NLWYNEPCXCVUGY-UHFFFAOYSA-N 0 3 305.334 1.074 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000590442836 355096829 /nfs/dbraw/zinc/09/68/29/355096829.db2.gz HLYSCOOTNPVXSX-FZMZJTMJSA-N 0 3 304.350 1.169 20 5 DDBDHN C[C@H](C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000590776498 355176328 /nfs/dbraw/zinc/17/63/28/355176328.db2.gz OWMSTCBPFPZDDC-CORIIIEPSA-N 0 3 303.362 1.861 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H]2COC[C@@H]21 ZINC000590971659 355227448 /nfs/dbraw/zinc/22/74/48/355227448.db2.gz DHGZITCHKUVJBV-IPYPFGDCSA-N 0 3 322.361 1.445 20 5 DDBDHN CC(C)(C(=O)Nc1cccc(CN)c1)n1cc([N+](=O)[O-])cn1 ZINC000592445797 355586123 /nfs/dbraw/zinc/58/61/23/355586123.db2.gz RFGPRNSPFKOPOZ-UHFFFAOYSA-N 0 3 303.322 1.624 20 5 DDBDHN CCCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@H]1CCN(C)C1 ZINC000592831452 355706611 /nfs/dbraw/zinc/70/66/11/355706611.db2.gz MMQODIRDNHIOOR-ZDUSSCGKSA-N 0 3 323.397 1.433 20 5 DDBDHN CCCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000592832130 355707168 /nfs/dbraw/zinc/70/71/68/355707168.db2.gz QUGPRRLZWWNPNH-AWEZNQCLSA-N 0 3 321.377 1.916 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](CN)C(F)(F)F ZINC000594452634 356222824 /nfs/dbraw/zinc/22/28/24/356222824.db2.gz QGQPQDQORPFTHN-JTQLQIEISA-N 0 3 305.256 1.831 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594417364 356203065 /nfs/dbraw/zinc/20/30/65/356203065.db2.gz BZDBOQOBFZCBPD-MNOVXSKESA-N 0 3 307.354 1.075 20 5 DDBDHN C[C@@H](CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000594817528 356326966 /nfs/dbraw/zinc/32/69/66/356326966.db2.gz SEMNCXNMFNIGAM-JTQLQIEISA-N 0 3 301.368 1.213 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2ccoc2)cc1 ZINC000594732775 356300899 /nfs/dbraw/zinc/30/08/99/356300899.db2.gz NGINEOCZIZCWJE-UHFFFAOYSA-N 0 3 324.358 1.794 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595455198 356499669 /nfs/dbraw/zinc/49/96/69/356499669.db2.gz SZGRDZWJLBSSLX-CYBMUJFWSA-N 0 3 306.366 1.878 20 5 DDBDHN O=C1CC[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595737066 356629514 /nfs/dbraw/zinc/62/95/14/356629514.db2.gz GOECIWRFBOWWRU-OLZOCXBDSA-N 0 3 319.361 1.574 20 5 DDBDHN C[C@]12COC[C@H]1CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000595758425 356639406 /nfs/dbraw/zinc/63/94/06/356639406.db2.gz MYBJAFYYLDLOPZ-IOASZLSFSA-N 0 3 322.361 1.303 20 5 DDBDHN Cc1c(NC(=O)[C@@H](C)N2CC[C@@H](F)[C@H](N)C2)cccc1[N+](=O)[O-] ZINC000595906310 356700652 /nfs/dbraw/zinc/70/06/52/356700652.db2.gz JHROSMOHHHTELG-IJLUTSLNSA-N 0 3 324.356 1.601 20 5 DDBDHN CC(C)[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])N1CCN(C)CC1 ZINC000596070147 356761028 /nfs/dbraw/zinc/76/10/28/356761028.db2.gz OGNXKTOXPVPHGO-ZDUSSCGKSA-N 0 3 323.397 1.379 20 5 DDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(C2CC2)C1 ZINC000596091136 356768701 /nfs/dbraw/zinc/76/87/01/356768701.db2.gz WBAQOBARJUHHLH-SNVBAGLBSA-N 0 3 304.350 1.603 20 5 DDBDHN CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@@H]1CCN(CC)C1 ZINC000598041302 357439038 /nfs/dbraw/zinc/43/90/38/357439038.db2.gz KXPMKQFSDROYJG-GFCCVEGCSA-N 0 3 306.366 1.855 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C(C)(C)C)C2)n1 ZINC000597920421 357381837 /nfs/dbraw/zinc/38/18/37/357381837.db2.gz BTGHCHBQOPIFOY-JTQLQIEISA-N 0 3 309.370 1.414 20 5 DDBDHN CC[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000598536857 357624750 /nfs/dbraw/zinc/62/47/50/357624750.db2.gz ZWJORJZLNDGDIP-QWHCGFSZSA-N 0 3 320.393 1.996 20 5 DDBDHN COC(=O)c1ccnc(N(C)C[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000598631032 357662546 /nfs/dbraw/zinc/66/25/46/357662546.db2.gz NYCNXFPSMPWJKQ-SNVBAGLBSA-N 0 3 308.338 1.307 20 5 DDBDHN Cc1c([C@H](C)NCCNC(=O)c2ccn[nH]2)cccc1[N+](=O)[O-] ZINC000180218463 199132472 /nfs/dbraw/zinc/13/24/72/199132472.db2.gz CEVNMJVPPGHLCE-NSHDSACASA-N 0 3 317.349 1.707 20 5 DDBDHN CC[C@@H](C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000601775625 358690104 /nfs/dbraw/zinc/69/01/04/358690104.db2.gz GQPHFJGCRNNMSC-DZGCQCFKSA-N 0 3 309.366 1.259 20 5 DDBDHN O=C(CNCCc1ccc([N+](=O)[O-])cc1)NCc1ccco1 ZINC000602512294 359021163 /nfs/dbraw/zinc/02/11/63/359021163.db2.gz SMXSTWNGIZWAAQ-UHFFFAOYSA-N 0 3 303.318 1.636 20 5 DDBDHN COC[C@]1(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCCCN1 ZINC000602443408 358979870 /nfs/dbraw/zinc/97/98/70/358979870.db2.gz UWRXEKYCHKYUKD-LRDDRELGSA-N 0 3 321.377 1.931 20 5 DDBDHN CC[C@H](NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000602563090 359046943 /nfs/dbraw/zinc/04/69/43/359046943.db2.gz FFXMOZQRVHIRRZ-HNNXBMFYSA-N 0 3 321.377 1.364 20 5 DDBDHN COC(=O)[C@]12CN(Cc3cn(C)nc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000602708815 359138924 /nfs/dbraw/zinc/13/89/24/359138924.db2.gz XZSVHANLQLQJMB-IUODEOHRSA-N 0 3 322.365 1.494 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CO)CN2CCCC2)c1 ZINC000603052625 359378449 /nfs/dbraw/zinc/37/84/49/359378449.db2.gz JXPAAPVHUXYCBF-LBPRGKRZSA-N 0 3 307.350 1.090 20 5 DDBDHN CCN(CCO)CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000187163611 200069898 /nfs/dbraw/zinc/06/98/98/200069898.db2.gz YIGVFIPCWFGAFI-LBPRGKRZSA-N 0 3 324.381 1.269 20 5 DDBDHN C[C@@H](O)CN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189338475 200383806 /nfs/dbraw/zinc/38/38/06/200383806.db2.gz DFBDPMPUQBFWRZ-CQSZACIVSA-N 0 3 323.393 1.362 20 5 DDBDHN CNC(=O)c1ccc(N[C@@H]2CCN(CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000609384323 360303000 /nfs/dbraw/zinc/30/30/00/360303000.db2.gz JDQLWRKFZMTUDE-CYBMUJFWSA-N 0 3 318.377 1.851 20 5 DDBDHN O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(CC2CC2)C1 ZINC000609399724 360304027 /nfs/dbraw/zinc/30/40/27/360304027.db2.gz LPUNLAYTAOWHFE-CQSZACIVSA-N 0 3 318.377 1.878 20 5 DDBDHN Cc1cc([C@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)o1 ZINC000195269212 201369831 /nfs/dbraw/zinc/36/98/31/201369831.db2.gz OVUOJSOKKALNDF-GXFFZTMASA-N 0 3 308.338 1.713 20 5 DDBDHN CC(C)N(C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349804261 284059938 /nfs/dbraw/zinc/05/99/38/284059938.db2.gz UVIRLTGVXZBWCR-NSHDSACASA-N 0 3 315.395 1.602 20 5 DDBDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000264626940 204037727 /nfs/dbraw/zinc/03/77/27/204037727.db2.gz PZDHGNWXZVODAI-GFCCVEGCSA-N 0 3 313.379 1.310 20 5 DDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCN1C ZINC000282728777 217206637 /nfs/dbraw/zinc/20/66/37/217206637.db2.gz LAZWGSFMDIEBQJ-HNNXBMFYSA-N 0 3 320.393 1.873 20 5 DDBDHN O=C(NCCCNCc1cccnc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000336850348 249256572 /nfs/dbraw/zinc/25/65/72/249256572.db2.gz RTSSIPAKHKVPEO-UHFFFAOYSA-N 0 3 303.322 1.228 20 5 DDBDHN CCN(CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N)C1CC1 ZINC000104882894 194049744 /nfs/dbraw/zinc/04/97/44/194049744.db2.gz SGSVZMMDEZMLPB-UHFFFAOYSA-N 0 3 306.366 1.700 20 5 DDBDHN Cc1nn(C)c(C(=O)N2CC[C@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000294090773 223846284 /nfs/dbraw/zinc/84/62/84/223846284.db2.gz KFYKXYSNIQXZJU-OAHLLOKOSA-N 0 3 321.381 1.195 20 5 DDBDHN COc1cc(C(=O)N2CCC[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000106363868 194200998 /nfs/dbraw/zinc/20/09/98/194200998.db2.gz HEVUREQXOGBZHL-GFCCVEGCSA-N 0 3 307.350 1.770 20 5 DDBDHN NC(=O)CC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065534893 184362461 /nfs/dbraw/zinc/36/24/61/184362461.db2.gz STYULWCCZUISRQ-UHFFFAOYSA-N 0 3 307.350 1.561 20 5 DDBDHN COC[C@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000452028472 533130846 /nfs/dbraw/zinc/13/08/46/533130846.db2.gz HFXUIFUSYPTRKX-CABCVRRESA-N 0 3 324.377 1.835 20 5 DDBDHN C[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000120713363 195221314 /nfs/dbraw/zinc/22/13/14/195221314.db2.gz NQBLQGRGUXLDFF-GFCCVEGCSA-N 0 3 320.393 1.919 20 5 DDBDHN COC(=O)COc1ccc(CNc2nccn2C)cc1[N+](=O)[O-] ZINC000414309612 533559317 /nfs/dbraw/zinc/55/93/17/533559317.db2.gz VGQFLJLFSXXPBE-UHFFFAOYSA-N 0 3 320.305 1.492 20 5 DDBDHN COc1ccc(CNC(=O)[C@H]2C[C@H](C)CCN2)cc1[N+](=O)[O-] ZINC000423055132 533644292 /nfs/dbraw/zinc/64/42/92/533644292.db2.gz CSWIQWSTCSROEK-ZYHUDNBSSA-N 0 3 307.350 1.608 20 5 DDBDHN C[C@@H]1C[C@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)CCN1C ZINC000124661108 407365698 /nfs/dbraw/zinc/36/56/98/407365698.db2.gz KAYBMWKJJWPKLA-VXGBXAGGSA-N 0 3 309.370 1.123 20 5 DDBDHN CC(C)N(CCN(C)C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000151817760 407505673 /nfs/dbraw/zinc/50/56/73/407505673.db2.gz PTMGVFIZOATICV-UHFFFAOYSA-N 0 3 322.409 1.830 20 5 DDBDHN COCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000152487194 407643444 /nfs/dbraw/zinc/64/34/44/407643444.db2.gz RXNUXMFSPNUMCN-UHFFFAOYSA-N 0 3 301.368 1.354 20 5 DDBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@H](CCO)c1ccccc1 ZINC000266940280 407683135 /nfs/dbraw/zinc/68/31/35/407683135.db2.gz PRMMKQAQSFIAMS-OAHLLOKOSA-N 0 3 304.350 1.847 20 5 DDBDHN COCCN1CCC[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180754489 407915889 /nfs/dbraw/zinc/91/58/89/407915889.db2.gz JADLIZKSOJGVFY-NSHDSACASA-N 0 3 322.365 1.018 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272596233 408000238 /nfs/dbraw/zinc/00/02/38/408000238.db2.gz IMISXLNLOUTTKI-IINYFYTJSA-N 0 3 304.350 1.343 20 5 DDBDHN CC[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000273121059 408063711 /nfs/dbraw/zinc/06/37/11/408063711.db2.gz HMMOILAFVIHNSM-DYEKYZERSA-N 0 3 310.350 1.037 20 5 DDBDHN CN(C[C@H]1CCOC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000246892716 408360795 /nfs/dbraw/zinc/36/07/95/408360795.db2.gz FHUVDBOOGVKANM-DOMZBBRYSA-N 0 3 319.361 1.668 20 5 DDBDHN COc1cc(C(=O)N2CC[C@@H](N(C)C)C2)cc([N+](=O)[O-])c1C ZINC000191183556 408383831 /nfs/dbraw/zinc/38/38/31/408383831.db2.gz DHIBKCBNWNOKMM-GFCCVEGCSA-N 0 3 307.350 1.688 20 5 DDBDHN C[C@H]1C[C@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])CCN1C ZINC000183555122 408439547 /nfs/dbraw/zinc/43/95/47/408439547.db2.gz LKYWIPUPRNYJEG-WDEREUQCSA-N 0 3 307.354 1.936 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000247506090 408483236 /nfs/dbraw/zinc/48/32/36/408483236.db2.gz XZVMHIZQSMTWGO-YGRLFVJLSA-N 0 3 306.366 1.757 20 5 DDBDHN Cc1nn(C)c(C(=O)N(C)C[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000265297301 408606449 /nfs/dbraw/zinc/60/64/49/408606449.db2.gz LNJCFHLJCWLTCP-LLVKDONJSA-N 0 3 309.370 1.051 20 5 DDBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000249256511 408707560 /nfs/dbraw/zinc/70/75/60/408707560.db2.gz HKTYHIWUIFHJQR-NHYWBVRUSA-N 0 3 318.377 1.733 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CNCC[C@@H]1C ZINC000193398601 408715958 /nfs/dbraw/zinc/71/59/58/408715958.db2.gz WVZPRUIPQATBIB-CABZTGNLSA-N 0 3 313.379 1.180 20 5 DDBDHN COCCN1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000265628050 408720001 /nfs/dbraw/zinc/72/00/01/408720001.db2.gz RGJQUCLTACMPLL-CYBMUJFWSA-N 0 3 322.365 1.115 20 5 DDBDHN CN(C)CCc1ccccc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000275859899 408698124 /nfs/dbraw/zinc/69/81/24/408698124.db2.gz LYTJVYSZIAMMAP-UHFFFAOYSA-N 0 3 303.322 1.674 20 5 DDBDHN Nc1c(C(=O)N2CCC[C@@H]2CN2CCCC2)cccc1[N+](=O)[O-] ZINC000178182752 408784705 /nfs/dbraw/zinc/78/47/05/408784705.db2.gz XJJTULDYRIEDDT-GFCCVEGCSA-N 0 3 318.377 1.877 20 5 DDBDHN CCCN(CCN1CCCC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000287390465 409029418 /nfs/dbraw/zinc/02/94/18/409029418.db2.gz OZRJMWMFRYDFNC-UHFFFAOYSA-N 0 3 323.397 1.516 20 5 DDBDHN CC(C(=O)N(C)CCc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000288172850 409159356 /nfs/dbraw/zinc/15/93/56/409159356.db2.gz FJEWUVYYHBZFBA-SNVBAGLBSA-N 0 3 314.363 1.029 20 5 DDBDHN CCN(C)C(=O)[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000296451085 409561700 /nfs/dbraw/zinc/56/17/00/409561700.db2.gz WNRMNDLJBUKSPA-CABCVRRESA-N 0 3 323.393 1.721 20 5 DDBDHN CCc1ccc(CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000304371958 409617478 /nfs/dbraw/zinc/61/74/78/409617478.db2.gz WICHQQOBOBVPNV-MRXNPFEDSA-N 0 3 318.377 1.847 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2c2ccccc2)c1 ZINC000304339050 409609113 /nfs/dbraw/zinc/60/91/13/409609113.db2.gz PGALAKOWPHARFT-CVEARBPZSA-N 0 3 316.361 1.989 20 5 DDBDHN COCCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000342695699 409820783 /nfs/dbraw/zinc/82/07/83/409820783.db2.gz PTEULVODKBKSNJ-ZDUSSCGKSA-N 0 3 310.350 1.445 20 5 DDBDHN COc1cc(CN2CCCN([C@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000346631768 410047076 /nfs/dbraw/zinc/04/70/76/410047076.db2.gz DGLFEQCGJFKVHB-CYBMUJFWSA-N 0 3 323.393 1.492 20 5 DDBDHN C[C@@H](CO)N1CCCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000346654075 410058354 /nfs/dbraw/zinc/05/83/54/410058354.db2.gz RFIDNXQITWUKML-LBPRGKRZSA-N 0 3 311.357 1.622 20 5 DDBDHN C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000339621172 410338856 /nfs/dbraw/zinc/33/88/56/410338856.db2.gz GERMDTZPVSWVJV-STQMWFEESA-N 0 3 320.393 1.948 20 5 DDBDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)N1CCC[C@@H](C)C1 ZINC000298755312 410384081 /nfs/dbraw/zinc/38/40/81/410384081.db2.gz YACISCNPJBTAGD-GHMZBOCLSA-N 0 3 321.381 1.621 20 5 DDBDHN CCN1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000355376248 410480981 /nfs/dbraw/zinc/48/09/81/410480981.db2.gz XEPFMWCKHRBWAD-CABCVRRESA-N 0 3 319.361 1.530 20 5 DDBDHN COC1CC(N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000352214145 410555131 /nfs/dbraw/zinc/55/51/31/410555131.db2.gz YGYYFUSYZRVEEK-JVWICGRDSA-N 0 3 310.350 1.444 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H]2Cc2ccccc2)c1 ZINC000353040145 410754011 /nfs/dbraw/zinc/75/40/11/410754011.db2.gz NIBAZDMKTGMDLQ-HOCLYGCPSA-N 0 3 316.361 1.469 20 5 DDBDHN CCCN1CCC[C@H]1CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000330677528 410868943 /nfs/dbraw/zinc/86/89/43/410868943.db2.gz VHTBYMGFWJXNDD-NSHDSACASA-N 0 3 309.370 1.241 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)C[C@H]1C ZINC000330680325 410872703 /nfs/dbraw/zinc/87/27/03/410872703.db2.gz YLXIWHRSGMWGIC-CYBMUJFWSA-N 0 3 320.393 1.868 20 5 DDBDHN COc1cc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000330679903 410874126 /nfs/dbraw/zinc/87/41/26/410874126.db2.gz YESWMKLXPYYBOU-JQWIXIFHSA-N 0 3 309.366 1.881 20 5 DDBDHN COc1cc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000330679903 410874132 /nfs/dbraw/zinc/87/41/32/410874132.db2.gz YESWMKLXPYYBOU-JQWIXIFHSA-N 0 3 309.366 1.881 20 5 DDBDHN COc1ccc(CN[C@H](CO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000359861021 410919896 /nfs/dbraw/zinc/91/98/96/410919896.db2.gz NFXAFKGTQKHZOL-CYBMUJFWSA-N 0 3 310.350 1.481 20 5 DDBDHN C[C@@H]1CC[C@@H](C(N)=O)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000348522944 410998137 /nfs/dbraw/zinc/99/81/37/410998137.db2.gz AQSBBLMXRRVNSX-VXGBXAGGSA-N 0 3 307.350 1.559 20 5 DDBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356472353 411047305 /nfs/dbraw/zinc/04/73/05/411047305.db2.gz ZQFJVRPMILOPNV-PHIMTYICSA-N 0 3 309.370 1.321 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](CCO)c1ccccc1 ZINC000271641328 209084830 /nfs/dbraw/zinc/08/48/30/209084830.db2.gz HGSIWNYOIHMVID-OAHLLOKOSA-N 0 3 317.345 1.470 20 5 DDBDHN C[C@@H]1CN(CCO)[C@@H](C)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000419334999 226122066 /nfs/dbraw/zinc/12/20/66/226122066.db2.gz VYAZMLAXPPUEJS-UONOGXRCSA-N 0 3 323.393 1.361 20 5 DDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366332974 418459596 /nfs/dbraw/zinc/45/95/96/418459596.db2.gz PNBADEOIFUWTCF-USWWRNFRSA-N 0 3 303.318 1.250 20 5 DDBDHN CN1CC[C@@H]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000375031283 418592426 /nfs/dbraw/zinc/59/24/26/418592426.db2.gz NPCGQTGCLAWNHP-DOMZBBRYSA-N 0 3 318.377 1.559 20 5 DDBDHN O=C1NCCN1[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000361308679 418622166 /nfs/dbraw/zinc/62/21/66/418622166.db2.gz DYLLQWYWBLULBO-OAHLLOKOSA-N 0 3 318.377 1.627 20 5 DDBDHN COC(=O)[C@H]1CN(C)CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000411912324 419476111 /nfs/dbraw/zinc/47/61/11/419476111.db2.gz VGKZXMDOVOWJLI-OLZOCXBDSA-N 0 3 321.377 1.692 20 5 DDBDHN COc1cc(C(=O)N2CCN[C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000423606361 420096258 /nfs/dbraw/zinc/09/62/58/420096258.db2.gz KCVYIMWSWXVXJH-QWRGUYRKSA-N 0 3 307.350 1.734 20 5 DDBDHN Cc1cc(OCC(=O)N[C@H]2CCCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000430787130 420190083 /nfs/dbraw/zinc/19/00/83/420190083.db2.gz FFLGINURLBHFHV-JSGCOSHPSA-N 0 3 321.377 1.881 20 5 DDBDHN C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C)CN1 ZINC000420244614 420165846 /nfs/dbraw/zinc/16/58/46/420165846.db2.gz YTGBFJXMMUZKLR-NXEZZACHSA-N 0 3 303.322 1.831 20 5 DDBDHN CCN1CCCC[C@@H]1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420606510 420329460 /nfs/dbraw/zinc/32/94/60/420329460.db2.gz XJJSHJREMYWIDB-LLVKDONJSA-N 0 3 306.366 1.980 20 5 DDBDHN CN1C[C@@H]2CCCN(c3nc4sccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC000425286172 420339919 /nfs/dbraw/zinc/33/99/19/420339919.db2.gz QDHZZKLLSJPSGK-VHSXEESVSA-N 0 3 307.379 1.834 20 5 DDBDHN CN1CCCC(C)(C)[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000447813630 420804797 /nfs/dbraw/zinc/80/47/97/420804797.db2.gz STZFBLNPCRTPTP-LLVKDONJSA-N 0 3 318.381 2.170 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000454736257 420918077 /nfs/dbraw/zinc/91/80/77/420918077.db2.gz YVWSOVVTRNPEPL-HIFRSBDPSA-N 0 3 318.377 1.483 20 5 DDBDHN O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@H]1CNCCC1(F)F ZINC000493447395 420852911 /nfs/dbraw/zinc/85/29/11/420852911.db2.gz GJUJRMDRXBGXKC-FYJFLYSWSA-N 0 3 311.288 1.721 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)NCC(F)(F)F ZINC000449107260 420949480 /nfs/dbraw/zinc/94/94/80/420949480.db2.gz LZBWUPLFLNQIKC-SECBINFHSA-N 0 3 319.283 1.794 20 5 DDBDHN CN1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])nc2)C1 ZINC000450397908 421192952 /nfs/dbraw/zinc/19/29/52/421192952.db2.gz WMGXQDTZXMMBIP-SECBINFHSA-N 0 3 321.366 1.079 20 5 DDBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC(N(C)C)C1 ZINC000450404666 421193924 /nfs/dbraw/zinc/19/39/24/421193924.db2.gz CSOOYSBPLRKTJO-UHFFFAOYSA-N 0 3 302.334 1.902 20 5 DDBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000548731891 421467994 /nfs/dbraw/zinc/46/79/94/421467994.db2.gz LJQDKYVLLDTDRJ-CYBMUJFWSA-N 0 3 306.366 1.840 20 5 DDBDHN C[C@H](CCCO)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564500260 421590334 /nfs/dbraw/zinc/59/03/34/421590334.db2.gz ZGAPFUKTSFSKPX-LLVKDONJSA-N 0 3 316.379 1.119 20 5 DDBDHN C[C@@H]1CCN(CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000572177867 421767154 /nfs/dbraw/zinc/76/71/54/421767154.db2.gz DNQIOUFHBYIYMC-GFCCVEGCSA-N 0 3 321.381 1.297 20 5 DDBDHN CC(C)NCC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000595923640 422359532 /nfs/dbraw/zinc/35/95/32/422359532.db2.gz AJUPDQLSJDZIAE-UHFFFAOYSA-N 0 3 303.322 1.921 20 5 DDBDHN C[C@H](NC(=O)NC[C@](C)(O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000122612454 263340024 /nfs/dbraw/zinc/34/00/24/263340024.db2.gz DRIIMBLPBCGFDU-NHYWBVRUSA-N 0 3 324.381 1.268 20 5 DDBDHN CNc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000314828408 271013065 /nfs/dbraw/zinc/01/30/65/271013065.db2.gz FPZUMGHRGAJKMC-GFCCVEGCSA-N 0 3 306.366 1.803 20 5 DDBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CCN(C2CCC2)C1 ZINC000344730679 272103903 /nfs/dbraw/zinc/10/39/03/272103903.db2.gz PHXNXZCKVRYQAQ-NSHDSACASA-N 0 3 306.366 1.869 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCCN(CCO)CC2)c2ncccc12 ZINC000171506901 275036098 /nfs/dbraw/zinc/03/60/98/275036098.db2.gz WHCSZZVSFDBBEM-UHFFFAOYSA-N 0 3 316.361 1.647 20 5 DDBDHN CCCCN1CCCC[C@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000165683178 298215963 /nfs/dbraw/zinc/21/59/63/298215963.db2.gz LLLJFOBSZBXJRR-LBPRGKRZSA-N 0 3 323.397 1.713 20 5 DDBDHN COCC[C@@]1(NCCOc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000573288804 304587272 /nfs/dbraw/zinc/58/72/72/304587272.db2.gz CMOHXXLKNYSBFC-OAHLLOKOSA-N 0 3 310.350 1.759 20 5 DDBDHN Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000356464301 298798632 /nfs/dbraw/zinc/79/86/32/298798632.db2.gz SVQSWPGPCMFKGC-NSHDSACASA-N 0 3 307.354 1.029 20 5 DDBDHN C[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295445291 300183267 /nfs/dbraw/zinc/18/32/67/300183267.db2.gz AJSCWHSTLHTWNI-LLVKDONJSA-N 0 3 318.377 1.733 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000368217987 300979801 /nfs/dbraw/zinc/97/98/01/300979801.db2.gz CERWSIJGVAFDTG-IRXDYDNUSA-N 0 3 319.405 1.934 20 5 DDBDHN CC[C@@H](C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N(C)C ZINC000368411466 301021953 /nfs/dbraw/zinc/02/19/53/301021953.db2.gz IAEKNOBUSRWOBN-AAEUAGOBSA-N 0 3 309.370 1.295 20 5 DDBDHN COc1cccc(NC[C@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000368486706 301038874 /nfs/dbraw/zinc/03/88/74/301038874.db2.gz OVOOCYZDYUSQDC-RYUDHWBXSA-N 0 3 307.350 1.879 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000370634059 301374847 /nfs/dbraw/zinc/37/48/47/301374847.db2.gz IFVGKSLNTWJIMB-CYBMUJFWSA-N 0 3 319.361 1.914 20 5 DDBDHN Cc1cccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000377481539 302183667 /nfs/dbraw/zinc/18/36/67/302183667.db2.gz LZKAHZGMXOUWRT-QWHCGFSZSA-N 0 3 319.361 1.496 20 5 DDBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000377510192 302187901 /nfs/dbraw/zinc/18/79/01/302187901.db2.gz FKHBQBSVJBESCW-VXGBXAGGSA-N 0 3 323.324 1.327 20 5 DDBDHN COc1cc(CN2CCN3CCC2CC3)c([N+](=O)[O-])cc1OC ZINC000377624000 302199502 /nfs/dbraw/zinc/19/95/02/302199502.db2.gz JWTJMURBZGECKH-UHFFFAOYSA-N 0 3 321.377 1.892 20 5 DDBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000531054929 303227538 /nfs/dbraw/zinc/22/75/38/303227538.db2.gz LXFFABSSLDKSPZ-CHWSQXEVSA-N 0 3 321.377 1.963 20 5 DDBDHN CCN1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000532873287 303300283 /nfs/dbraw/zinc/30/02/83/303300283.db2.gz IWMHOVJXGZFOBF-UHFFFAOYSA-N 0 3 306.366 1.832 20 5 DDBDHN CC(C)N(CCN(C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533368759 303317480 /nfs/dbraw/zinc/31/74/80/303317480.db2.gz BJFGXMDZXXHASA-UHFFFAOYSA-N 0 3 323.349 1.736 20 5 DDBDHN COc1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000364072546 307041083 /nfs/dbraw/zinc/04/10/83/307041083.db2.gz NOHUJLTZLFQGOZ-CYBMUJFWSA-N 0 3 319.361 1.914 20 5 DDBDHN O=C(CCN1C[C@@H](O)C2(CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000364444973 307045835 /nfs/dbraw/zinc/04/58/35/307045835.db2.gz RFHMFASCNZFKKW-CYBMUJFWSA-N 0 3 305.334 1.380 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000376575954 307248361 /nfs/dbraw/zinc/24/83/61/307248361.db2.gz XRRVOOGMXXXCEK-IUODEOHRSA-N 0 3 318.377 1.997 20 5 DDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](N2CCCCC2)C1 ZINC000365211386 325733260 /nfs/dbraw/zinc/73/32/60/325733260.db2.gz OQSQMYXGHBLGRZ-CYBMUJFWSA-N 0 3 321.381 1.268 20 5 DDBDHN C[C@@H](C(=O)NCC1(O)CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000397552783 337276219 /nfs/dbraw/zinc/27/62/19/337276219.db2.gz ZLKIYAJWUKGCPV-GFCCVEGCSA-N 0 3 321.377 1.271 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCCC[C@H]3O)CC2)cn1 ZINC000584533392 337357511 /nfs/dbraw/zinc/35/75/11/337357511.db2.gz YTXVNSDPVIBTEI-DZGCQCFKSA-N 0 3 320.393 1.663 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCNC2CCS(=O)(=O)CC2)cc1 ZINC000038079475 337371378 /nfs/dbraw/zinc/37/13/78/337371378.db2.gz YHHSBLJVYVAOKT-UHFFFAOYSA-N 0 3 314.363 1.140 20 5 DDBDHN CC(C)OC[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000493796299 484239481 /nfs/dbraw/zinc/23/94/81/484239481.db2.gz OTSKTBCHCUMZAA-OCCSQVGLSA-N 0 3 324.381 1.262 20 5 DDBDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444688248 534249580 /nfs/dbraw/zinc/24/95/80/534249580.db2.gz IXNNWQYUAJKGKC-WDEREUQCSA-N 0 3 303.366 1.996 20 5 DDBDHN CC(C)CNC(=O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000747959267 700093278 /nfs/dbraw/zinc/09/32/78/700093278.db2.gz MZSWGMNCNGALQE-UHFFFAOYSA-N 0 3 323.397 1.276 20 5 DDBDHN CCC[C@@H]1CN(Cn2nccc2[N+](=O)[O-])CCN1CCOC ZINC000159833888 697312396 /nfs/dbraw/zinc/31/23/96/697312396.db2.gz KGDBIGRZSNJZPO-CYBMUJFWSA-N 0 3 311.386 1.182 20 5 DDBDHN C[C@@H]1OCC[C@@H]1N(CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796578725 699940131 /nfs/dbraw/zinc/94/01/31/699940131.db2.gz JXQYSNFJMUYYFS-TUKIKUTGSA-N 0 3 310.350 1.100 20 5 DDBDHN COCCN(C)CCNC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000751918867 700326451 /nfs/dbraw/zinc/32/64/51/700326451.db2.gz IEXCISVKVAWYOC-OUKQBFOZSA-N 0 3 321.377 1.693 20 5 DDBDHN COc1cccc(C(=O)NCCN2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000770739797 701292732 /nfs/dbraw/zinc/29/27/32/701292732.db2.gz MFGNFBCSIRNLQU-NSHDSACASA-N 0 3 307.350 1.818 20 5 DDBDHN CN1CCN(C2CCN(c3sccc3[N+](=O)[O-])CC2)CC1 ZINC000866212994 706651176 /nfs/dbraw/zinc/65/11/76/706651176.db2.gz PCZDIZSFUSCIOL-UHFFFAOYSA-N 0 3 310.423 1.873 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)[C@@H]2C1 ZINC000816950098 702234276 /nfs/dbraw/zinc/23/42/76/702234276.db2.gz LVEWAWGJOSJTTG-IINYFYTJSA-N 0 3 323.324 1.275 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)[C@@H]2C1 ZINC000816952046 702234972 /nfs/dbraw/zinc/23/49/72/702234972.db2.gz BEMWUXMHGRUYJB-AMIZOPFISA-N 0 3 308.313 1.092 20 5 DDBDHN CC(COC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)[N+](=O)[O-] ZINC000813100116 702289954 /nfs/dbraw/zinc/28/99/54/702289954.db2.gz NDPLLZJLFCYPOI-AAEUAGOBSA-N 0 3 321.333 1.142 20 5 DDBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])cnc1Br ZINC000813104304 702291917 /nfs/dbraw/zinc/29/19/17/702291917.db2.gz MBRAOXURGVIFEZ-ZCFIWIBFSA-N 0 3 319.111 1.675 20 5 DDBDHN CC(COC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)[N+](=O)[O-] ZINC000813106992 702293867 /nfs/dbraw/zinc/29/38/67/702293867.db2.gz JTPIXUCHVNLAHU-LLVKDONJSA-N 0 3 322.361 1.922 20 5 DDBDHN CC(COC(=O)CC[C@@H]1Cc2ccccc2NC1=O)[N+](=O)[O-] ZINC000813107633 702294131 /nfs/dbraw/zinc/29/41/31/702294131.db2.gz PNQLMFJQEISXMI-ZYHUDNBSSA-N 0 3 306.318 1.786 20 5 DDBDHN CC(COC(=O)c1cn(Cc2cccc(F)c2)nn1)[N+](=O)[O-] ZINC000813112897 702298400 /nfs/dbraw/zinc/29/84/00/702298400.db2.gz VZDUDWVEYXMJPU-VIFPVBQESA-N 0 3 308.269 1.288 20 5 DDBDHN CC(COC(=O)CN1c2ccccc2OCCC1=O)[N+](=O)[O-] ZINC000813114467 702299313 /nfs/dbraw/zinc/29/93/13/702299313.db2.gz BYNNWDIJRGMLDL-JTQLQIEISA-N 0 3 308.290 1.011 20 5 DDBDHN CC(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)[N+](=O)[O-] ZINC000813115016 702299462 /nfs/dbraw/zinc/29/94/62/702299462.db2.gz IYFWUVWTTHKMDS-AAEUAGOBSA-N 0 3 306.318 1.244 20 5 DDBDHN C[C@@H](N[C@@H]1CNCCC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817979514 702541842 /nfs/dbraw/zinc/54/18/42/702541842.db2.gz BOZXZSLNIQTCAX-PRHODGIISA-N 0 3 300.309 1.825 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H]2c3ccccc3C[C@@H]2O)c1 ZINC000843071384 702813468 /nfs/dbraw/zinc/81/34/68/702813468.db2.gz ZRZVUVYTTVLQAP-YESZJQIVSA-N 0 3 314.341 1.876 20 5 DDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CCNCC2(C)C)cc1[N+](=O)[O-] ZINC000843351834 702864738 /nfs/dbraw/zinc/86/47/38/702864738.db2.gz GNXGPYLDCXENCB-UHFFFAOYSA-N 0 3 322.321 1.635 20 5 DDBDHN CC([C@H](OC(=O)c1cn(C)nn1)c1ccccc1F)[N+](=O)[O-] ZINC000845877728 703211646 /nfs/dbraw/zinc/21/16/46/703211646.db2.gz GLQQMQHCXUPDLJ-UFBFGSQYSA-N 0 3 308.269 1.518 20 5 DDBDHN CC(COC(=O)CN(C)c1nc2ccccc2s1)[N+](=O)[O-] ZINC000847714382 703457103 /nfs/dbraw/zinc/45/71/03/703457103.db2.gz SJALGQCSAYUUPX-VIFPVBQESA-N 0 3 309.347 1.941 20 5 DDBDHN Cc1c(Br)cncc1C(=O)OCC(C)[N+](=O)[O-] ZINC000851035930 703774716 /nfs/dbraw/zinc/77/47/16/703774716.db2.gz CKVGOWZBOGXXRO-ZCFIWIBFSA-N 0 3 303.112 1.975 20 5 DDBDHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000861345108 705436820 /nfs/dbraw/zinc/43/68/20/705436820.db2.gz YWBYYBNHHFWONT-IINYFYTJSA-N 0 3 311.338 1.199 20 5 DDBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000865057863 706338116 /nfs/dbraw/zinc/33/81/16/706338116.db2.gz FXDTVXVYTQFIDS-WDEREUQCSA-N 0 3 323.324 1.327 20 5 DDBDHN Cc1ccc(CNC[C@@]23COC(=O)N2CCOC3)cc1[N+](=O)[O-] ZINC000865769734 706521243 /nfs/dbraw/zinc/52/12/43/706521243.db2.gz XYJPXZZFFOPAQP-OAHLLOKOSA-N 0 3 321.333 1.214 20 5 DDBDHN Nc1ccc(N2CC[C@H]3[C@@H]2CCCN3CCO)c([N+](=O)[O-])c1 ZINC000897219937 708257712 /nfs/dbraw/zinc/25/77/12/708257712.db2.gz QIXSAFORLSYVGA-STQMWFEESA-N 0 3 306.366 1.212 20 5 DDBDHN C[C@H]1CN(Cc2ccc(CNCC[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000899869890 709222183 /nfs/dbraw/zinc/22/21/83/709222183.db2.gz JKECPSNXNUPIHT-KBPBESRZSA-N 0 3 307.394 1.662 20 5 DDBDHN COc1c(O)ccc(CN2CCN(CC3CC3)CC2)c1[N+](=O)[O-] ZINC000891696239 710268854 /nfs/dbraw/zinc/26/88/54/710268854.db2.gz MXKMIJXUUQEJNI-UHFFFAOYSA-N 0 3 321.377 1.837 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000891741799 710280471 /nfs/dbraw/zinc/28/04/71/710280471.db2.gz UICQHVBPOZOTMI-LBPRGKRZSA-N 0 3 309.370 1.019 20 5 DDBDHN C[C@@H]1[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCN1C ZINC000928444785 713198756 /nfs/dbraw/zinc/19/87/56/713198756.db2.gz MLGGHNJTRINTNB-KOLCDFICSA-N 0 3 302.334 1.899 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCN1C ZINC000928447854 713201160 /nfs/dbraw/zinc/20/11/60/713201160.db2.gz AHXPGXYLZZGPRL-NOZJJQNGSA-N 0 3 302.334 1.899 20 5 DDBDHN C[C@H]1[C@H](Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CCN1C ZINC000895737461 711590901 /nfs/dbraw/zinc/59/09/01/711590901.db2.gz VRHXZQUCZAELLD-VHSXEESVSA-N 0 3 319.365 1.290 20 5 DDBDHN CC[C@H](CO)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000915875568 713434234 /nfs/dbraw/zinc/43/42/34/713434234.db2.gz RXMHYTZWGVZEIN-DTWKUNHWSA-N 0 3 315.757 1.936 20 5 DDBDHN CN1CCC[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000918395545 713541519 /nfs/dbraw/zinc/54/15/19/713541519.db2.gz PUHJOSZXAQVVJL-GFCCVEGCSA-N 0 3 317.349 1.155 20 5 DDBDHN CCC1(CC)CNC(=O)[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000933291453 714555954 /nfs/dbraw/zinc/55/59/54/714555954.db2.gz XBBOSQRZNLTABP-AWEZNQCLSA-N 0 3 321.377 1.868 20 5 DDBDHN CC[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924774254 714661034 /nfs/dbraw/zinc/66/10/34/714661034.db2.gz AVIPKOAPCMMIGM-STQMWFEESA-N 0 3 320.349 1.528 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1ccnnc1 ZINC001167277566 732887026 /nfs/dbraw/zinc/88/70/26/732887026.db2.gz TUSRKVPTYNDCAS-UHFFFAOYSA-N 0 3 315.333 1.295 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cc[nH]c(=O)c1 ZINC001125606382 734767387 /nfs/dbraw/zinc/76/73/87/734767387.db2.gz ZZHHIOTUWADWQE-UHFFFAOYSA-N 0 3 316.317 1.215 20 5 DDBDHN CS[C@H]1CN(c2nn(C)cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC001186174349 744357060 /nfs/dbraw/zinc/35/70/60/744357060.db2.gz CYJBGQHPHXUOFS-PWSUYJOCSA-N 0 3 311.411 1.344 20 5 DDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2ccn(CC(F)(F)F)n2)C1 ZINC001168997519 762169953 /nfs/dbraw/zinc/16/99/53/762169953.db2.gz CVQWEQHSABONMZ-VHSXEESVSA-N 0 3 306.288 1.980 20 5 DDBDHN Cc1ccnc(N2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169034929 762189619 /nfs/dbraw/zinc/18/96/19/762189619.db2.gz IRVAEVPYFNLYSR-CABCVRRESA-N 0 3 304.394 1.957 20 5 DDBDHN CNc1cc([N+](=O)[O-])cnc1N1CCCc2ccc(CN)nc21 ZINC001169590136 762525041 /nfs/dbraw/zinc/52/50/41/762525041.db2.gz GYCWNNXJEJVZRI-UHFFFAOYSA-N 0 3 314.349 1.970 20 5 DDBDHN Cc1c(N[C@@H](C)[C@@H]2CNCCO2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001170565640 768164597 /nfs/dbraw/zinc/16/45/97/768164597.db2.gz CBLFTAPNKHXFAG-CABZTGNLSA-N 0 3 310.310 1.600 20 5 DDBDHN C[C@H](Nc1ccc2cnccc2c1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170568758 768180950 /nfs/dbraw/zinc/18/09/50/768180950.db2.gz HIOUUBZMOZAMLE-HZMBPMFUSA-N 0 3 302.334 1.932 20 5 DDBDHN COC(=O)c1c(C)c([N+](=O)[O-])ccc1N[C@H](C)[C@H]1CNCCO1 ZINC001170574647 768225293 /nfs/dbraw/zinc/22/52/93/768225293.db2.gz NGUWGOQPWWDAIS-ZWNOBZJWSA-N 0 3 323.349 1.479 20 5 DDBDHN CC(=O)Nc1ccc(N[C@@H](C)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170576394 768252822 /nfs/dbraw/zinc/25/28/22/768252822.db2.gz ZXYVDYQBMJYEGC-XPTSAGLGSA-N 0 3 308.338 1.342 20 5 DDBDHN CC(=O)Nc1ccc(N[C@H](C)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170576393 768252866 /nfs/dbraw/zinc/25/28/66/768252866.db2.gz ZXYVDYQBMJYEGC-OTYXRUKQSA-N 0 3 308.338 1.342 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC001135656682 771632577 /nfs/dbraw/zinc/63/25/77/771632577.db2.gz PFZTZUMWUOQMIN-UHFFFAOYSA-N 0 3 306.347 1.571 20 5 DDBDHN Cc1ccc(NCCNC(=O)C2(N(C)C)CCC2)c([N+](=O)[O-])c1 ZINC001093927205 775219611 /nfs/dbraw/zinc/21/96/11/775219611.db2.gz ZQVLWOSNWRQDLZ-UHFFFAOYSA-N 0 3 320.393 1.916 20 5 DDBDHN CCN(CC)CC(=O)NCCN(C)c1ccc([N+](=O)[O-])c(C)n1 ZINC001100125596 775710465 /nfs/dbraw/zinc/71/04/65/775710465.db2.gz BGVQSWKWGXNYAX-UHFFFAOYSA-N 0 3 323.397 1.192 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)CN2CCCC2)n1 ZINC001101633157 777329266 /nfs/dbraw/zinc/32/92/66/777329266.db2.gz AUWZIZRZAWQZAZ-UHFFFAOYSA-N 0 3 321.381 1.264 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C=C1CCC1 ZINC001156453962 863062366 /nfs/dbraw/zinc/06/23/66/863062366.db2.gz LZHDJYRKJRMMJF-UHFFFAOYSA-N 0 3 307.354 1.035 20 5 DDBDHN CC[C@H](C)N1CCN(c2nnc(C[N+](=O)[O-])n2CC(C)C)CC1 ZINC001122817781 858978292 /nfs/dbraw/zinc/97/82/92/858978292.db2.gz PROATEBWRFEKHO-ZDUSSCGKSA-N 0 3 324.429 1.631 20 5 DDBDHN Cc1ncc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001124818871 859821922 /nfs/dbraw/zinc/82/19/22/859821922.db2.gz NAXLWBLMHGFFSI-UHFFFAOYSA-N 0 3 303.322 1.146 20 5 DDBDHN COc1cnc(N2CCCc3ccc(CN)nc32)c([N+](=O)[O-])c1 ZINC001158649837 864786648 /nfs/dbraw/zinc/78/66/48/864786648.db2.gz QNEDLNSXYVPWEQ-UHFFFAOYSA-N 0 3 315.333 1.936 20 5 DDBDHN C[C@H](Nc1nccc2cc([N+](=O)[O-])ccc21)[C@@H]1CNCCO1 ZINC001159499649 865353660 /nfs/dbraw/zinc/35/36/60/865353660.db2.gz BBJQJSCILDQGAE-HZMBPMFUSA-N 0 3 302.334 1.932 20 5 DDBDHN CCN1CCN([C@@H](C)CNc2c(C)cncc2[N+](=O)[O-])CC1 ZINC001320589329 866864028 /nfs/dbraw/zinc/86/40/28/866864028.db2.gz KTLUUKNKMNFQER-ZDUSSCGKSA-N 0 3 307.398 1.158 20 5 DDBDHN CCN1CCN(C[C@@H](C)CNc2c(C)cncc2[N+](=O)[O-])CC1 ZINC001321133453 867341984 /nfs/dbraw/zinc/34/19/84/867341984.db2.gz MCCOIPOYWSTCRK-ZDUSSCGKSA-N 0 3 321.425 1.406 20 5 DDBDHN COCC(=O)NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001163029783 868016665 /nfs/dbraw/zinc/01/66/65/868016665.db2.gz IXEDCFFFQACBPF-UHFFFAOYSA-N 0 3 321.377 1.617 20 5 DDBDHN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCCN(CC)CC1 ZINC001163773554 868693761 /nfs/dbraw/zinc/69/37/61/868693761.db2.gz FEKCUXDYJLTVBP-UHFFFAOYSA-N 0 3 322.365 1.699 20 5 DDBDHN CN(CCNC(=O)CN1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001317469514 870889819 /nfs/dbraw/zinc/88/98/19/870889819.db2.gz GDFZDVLAAKVSGT-UHFFFAOYSA-N 0 3 320.393 1.239 20 5 DDBDHN CN1CCN(CCCO[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001206581156 872449096 /nfs/dbraw/zinc/44/90/96/872449096.db2.gz BGVPYZZLPJOQLZ-QGZVFWFLSA-N 0 3 319.405 1.716 20 5 DDBDHN Cc1noc2nc(O[C@@H](C[N+](=O)[O-])C3CC3)c3c(c12)CCNC3 ZINC001218327603 877454658 /nfs/dbraw/zinc/45/46/58/877454658.db2.gz CANAHVIANWGRKM-LBPRGKRZSA-N 0 3 318.333 1.611 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3COC[C@@H]3F)CC2)cc1 ZINC001254472995 896456510 /nfs/dbraw/zinc/45/65/10/896456510.db2.gz YVZIIDOYWCGBCH-LSDHHAIUSA-N 0 3 309.341 1.890 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC2(CNC(=O)N2)CC1 ZINC001254563675 896503122 /nfs/dbraw/zinc/50/31/22/896503122.db2.gz BAPHPGYEQNBVMQ-LBPRGKRZSA-N 0 3 318.377 1.673 20 5 DDBDHN O=c1[nH][n-]cc1CCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573338 896509069 /nfs/dbraw/zinc/50/90/69/896509069.db2.gz XYVDBFLKCMEKNX-DGCLKSJQSA-N 0 3 302.334 1.164 20 5 DDBDHN NC(=O)NC1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254598667 896523980 /nfs/dbraw/zinc/52/39/80/896523980.db2.gz LMIBOSWGFIVNAC-AWEZNQCLSA-N 0 3 304.350 1.195 20 5 DDBDHN COC[C@@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000452028475 231274120 /nfs/dbraw/zinc/27/41/20/231274120.db2.gz HFXUIFUSYPTRKX-LSDHHAIUSA-N 0 3 324.377 1.835 20 5 DDBDHN CC[C@@]1(O)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000495250806 529573932 /nfs/dbraw/zinc/57/39/32/529573932.db2.gz JKFUQLFBXJVLEQ-UKRRQHHQSA-N 0 3 310.350 1.181 20 5 DDBDHN COC(=O)[C@H](C)CN(CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000090525103 185300431 /nfs/dbraw/zinc/30/04/31/185300431.db2.gz PQIDZLJHTAFJDT-LLVKDONJSA-N 0 3 323.349 1.030 20 5 DDBDHN COC[C@@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000181581032 199321861 /nfs/dbraw/zinc/32/18/61/199321861.db2.gz PKHSOVQILCBWRZ-CYBMUJFWSA-N 0 3 323.349 1.557 20 5 DDBDHN CNC(=O)[C@H]1CCC[C@H]1NCc1cc([N+](=O)[O-])ccc1OC ZINC000429783444 529925423 /nfs/dbraw/zinc/92/54/23/529925423.db2.gz HRPNUGUWALCABE-QWHCGFSZSA-N 0 3 307.350 1.608 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H]1CCOC1 ZINC000106883023 185459740 /nfs/dbraw/zinc/45/97/40/185459740.db2.gz JIUKTYOCSZXPSV-LBPRGKRZSA-N 0 3 323.349 1.653 20 5 DDBDHN CN(C)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000330716102 232016433 /nfs/dbraw/zinc/01/64/33/232016433.db2.gz BYKNXTZJQTUPAZ-UHFFFAOYSA-N 0 3 311.338 1.371 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000330909833 232155164 /nfs/dbraw/zinc/15/51/64/232155164.db2.gz PCAOEXHMXVKKFG-ZYHUDNBSSA-N 0 3 309.370 1.089 20 5 DDBDHN COc1cc(C[NH2+][C@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])cc1[O-] ZINC000189951159 186254252 /nfs/dbraw/zinc/25/42/52/186254252.db2.gz VXEUKZZQCLMOBE-PWSUYJOCSA-N 0 3 310.350 1.950 20 5 DDBDHN COC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000053907369 352671944 /nfs/dbraw/zinc/67/19/44/352671944.db2.gz YOKLKZYBCCJLKP-CYBMUJFWSA-N 0 3 310.350 1.445 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000064334127 352933899 /nfs/dbraw/zinc/93/38/99/352933899.db2.gz OPIPQXOXQITNGV-LSDHHAIUSA-N 0 3 319.361 1.117 20 5 DDBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1ccncc1[N+](=O)[O-] ZINC000066812062 353017494 /nfs/dbraw/zinc/01/74/94/353017494.db2.gz SCNGHNNSLNDCBZ-ZDUSSCGKSA-N 0 3 321.381 1.344 20 5 DDBDHN C[C@H](NC[C@H](C)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173390533 198209137 /nfs/dbraw/zinc/20/91/37/198209137.db2.gz NLXSAWLBIPJLLC-KBPBESRZSA-N 0 3 306.410 1.881 20 5 DDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000068341684 353105937 /nfs/dbraw/zinc/10/59/37/353105937.db2.gz ROAPLCWVJKSHEF-CYBMUJFWSA-N 0 3 320.393 1.827 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](N3CCCC3)C2)n1 ZINC000331922230 234278268 /nfs/dbraw/zinc/27/82/68/234278268.db2.gz ZSJDUHNSEXUGHH-GFCCVEGCSA-N 0 3 321.381 1.512 20 5 DDBDHN C[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000068101990 353088772 /nfs/dbraw/zinc/08/87/72/353088772.db2.gz VOWXYFVELSNXKN-GFCCVEGCSA-N 0 3 308.382 1.853 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](N(C)C)C2)c1 ZINC000358580389 299202432 /nfs/dbraw/zinc/20/24/32/299202432.db2.gz WBYDDTBFKLBDCX-NSHDSACASA-N 0 3 307.350 1.770 20 5 DDBDHN CCN(Cc1cccs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174664726 198367918 /nfs/dbraw/zinc/36/79/18/198367918.db2.gz JZYJMEOCUGSING-LBPRGKRZSA-N 0 3 310.379 1.736 20 5 DDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])NCCN1CCCCC1 ZINC000080598373 353616453 /nfs/dbraw/zinc/61/64/53/353616453.db2.gz PKGOOEXJJDCEQX-UHFFFAOYSA-N 0 3 320.393 1.922 20 5 DDBDHN CCc1n[nH]c(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000346204775 283025271 /nfs/dbraw/zinc/02/52/71/283025271.db2.gz MNZHPCXYMHGJAY-PHIMTYICSA-N 0 3 323.397 1.873 20 5 DDBDHN NC[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000401708770 354664897 /nfs/dbraw/zinc/66/48/97/354664897.db2.gz GOXBAQGGDXKAQM-MRVPVSSYSA-N 0 3 311.647 1.868 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCCCN1CCN(C)CC1 ZINC000588810956 354938694 /nfs/dbraw/zinc/93/86/94/354938694.db2.gz NAZQZJJYFXPFIQ-UHFFFAOYSA-N 0 3 324.429 1.559 20 5 DDBDHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590402430 355085785 /nfs/dbraw/zinc/08/57/85/355085785.db2.gz UDGVNVRIDJSCJA-CABCVRRESA-N 0 3 319.361 1.530 20 5 DDBDHN CO[C@@H]1COC[C@H]1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000592154652 355519804 /nfs/dbraw/zinc/51/98/04/355519804.db2.gz LRRYDWAXEPKXKP-ZIAGYGMSSA-N 0 3 323.349 1.235 20 5 DDBDHN CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000593070266 355786462 /nfs/dbraw/zinc/78/64/62/355786462.db2.gz VYTWCBRCFGPTNF-HUUCEWRRSA-N 0 3 324.377 1.835 20 5 DDBDHN CCN1CCC(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593393005 355871181 /nfs/dbraw/zinc/87/11/81/355871181.db2.gz XTNLZKDBOKOFDZ-UHFFFAOYSA-N 0 3 309.341 1.877 20 5 DDBDHN O=[N+]([O-])c1cc2ccccc2nc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594603896 356262519 /nfs/dbraw/zinc/26/25/19/356262519.db2.gz OMJKGCAXIADPTP-QWHCGFSZSA-N 0 3 314.345 1.398 20 5 DDBDHN O=[N+]([O-])c1ccc(-n2cc(CNC3CCCCC3)nn2)nc1 ZINC000594649354 356274172 /nfs/dbraw/zinc/27/41/72/356274172.db2.gz LMQNDGHJKYMPCG-UHFFFAOYSA-N 0 3 302.338 1.993 20 5 DDBDHN CCOCCOC[C@@H](O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594498960 356238408 /nfs/dbraw/zinc/23/84/08/356238408.db2.gz DTJZAGIXBZQDJM-SWLSCSKDSA-N 0 3 324.377 1.586 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000595447611 356496517 /nfs/dbraw/zinc/49/65/17/356496517.db2.gz OIBVAXJFTXVUDW-CYBMUJFWSA-N 0 3 306.366 1.878 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](CO)C2CCC2)c1 ZINC000595614549 356577999 /nfs/dbraw/zinc/57/79/99/356577999.db2.gz DMGUWLJZUIFNLT-CYBMUJFWSA-N 0 3 308.334 1.632 20 5 DDBDHN CC(C)(C(=O)N1CCOC2(CNC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000596099723 356771281 /nfs/dbraw/zinc/77/12/81/356771281.db2.gz XMTUWRXPNOPOAZ-UHFFFAOYSA-N 0 3 319.361 1.073 20 5 DDBDHN CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1 ZINC000596188321 356806184 /nfs/dbraw/zinc/80/61/84/356806184.db2.gz WMQDJBMRRGODBO-HNNXBMFYSA-N 0 3 320.393 1.873 20 5 DDBDHN COc1cc(CN(C)CC2CN(C)C2)c([N+](=O)[O-])cc1OC ZINC000597202600 357091091 /nfs/dbraw/zinc/09/10/91/357091091.db2.gz GMSLNDXOEPLYPG-UHFFFAOYSA-N 0 3 309.366 1.605 20 5 DDBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])n1C)C2 ZINC000597714733 357298694 /nfs/dbraw/zinc/29/86/94/357298694.db2.gz ISDRSLTUWYUEKA-HNNXBMFYSA-N 0 3 306.366 1.491 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000598341623 357543893 /nfs/dbraw/zinc/54/38/93/357543893.db2.gz DWFRANBJCXIICE-LLVKDONJSA-N 0 3 307.350 1.818 20 5 DDBDHN COC(=O)c1ccnc(N(C)CCN2CCCC2)c1[N+](=O)[O-] ZINC000598594884 357646894 /nfs/dbraw/zinc/64/68/94/357646894.db2.gz NLCHOVQVGAUJHF-UHFFFAOYSA-N 0 3 308.338 1.308 20 5 DDBDHN COC(=O)c1ccnc(N[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000598599466 357648585 /nfs/dbraw/zinc/64/85/85/357648585.db2.gz OIWMFSGPDNZREM-ZJUUUORDSA-N 0 3 308.338 1.671 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCN1CC[C@H](O)C1 ZINC000599017795 357795420 /nfs/dbraw/zinc/79/54/20/357795420.db2.gz BXZMAWXQLYMNFF-AWEZNQCLSA-N 0 3 309.366 1.150 20 5 DDBDHN O=[N+]([O-])c1c2ccncc2ccc1N1CCCN(CCO)CC1 ZINC000599037475 357799490 /nfs/dbraw/zinc/79/94/90/357799490.db2.gz CXCVTVLKOBPANX-UHFFFAOYSA-N 0 3 316.361 1.647 20 5 DDBDHN CN1CCC[C@@H]1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000598993993 357787000 /nfs/dbraw/zinc/78/70/00/357787000.db2.gz VJGYUBPFDLAEPN-GFCCVEGCSA-N 0 3 307.350 1.550 20 5 DDBDHN O=C(NC[C@H]1CCN1C1CCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000600228807 358163719 /nfs/dbraw/zinc/16/37/19/358163719.db2.gz FQVFCKDQQLXMGG-LLVKDONJSA-N 0 3 307.354 1.455 20 5 DDBDHN Cc1ncccc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600764109 358310852 /nfs/dbraw/zinc/31/08/52/358310852.db2.gz XTOFHHWDMFRWAA-AWEZNQCLSA-N 0 3 317.345 1.828 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1Cn1cc(CCN(C)C)nn1 ZINC000600972851 358364562 /nfs/dbraw/zinc/36/45/62/358364562.db2.gz GVCOWDGPGNTEBN-UHFFFAOYSA-N 0 3 305.338 1.347 20 5 DDBDHN Cc1cc(S(=O)(=O)[N-][C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601357321 358514731 /nfs/dbraw/zinc/51/47/31/358514731.db2.gz QPSJGKRIYJQPDL-QMMMGPOBSA-N 0 3 321.424 1.583 20 5 DDBDHN Cn1cc(CN2CCCN(C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])n1 ZINC000602442588 358979185 /nfs/dbraw/zinc/97/91/85/358979185.db2.gz ZNJCOQOJUNQXSC-AWEZNQCLSA-N 0 3 323.397 1.015 20 5 DDBDHN COC[C@@]1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCCCN1 ZINC000602440540 358978047 /nfs/dbraw/zinc/97/80/47/358978047.db2.gz QOCHDUMZMSGLMG-OAHLLOKOSA-N 0 3 307.350 1.370 20 5 DDBDHN CCN(C)C(=O)CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602623234 359080085 /nfs/dbraw/zinc/08/00/85/359080085.db2.gz WPAGVGUVMZXONA-UHFFFAOYSA-N 0 3 321.381 1.027 20 5 DDBDHN Cn1cc(CN2CCN(C)C3(CCCCC3)C2)c([N+](=O)[O-])n1 ZINC000602836278 359226916 /nfs/dbraw/zinc/22/69/16/359226916.db2.gz MZDWCEHDYBEFRZ-UHFFFAOYSA-N 0 3 307.398 1.779 20 5 DDBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000602959326 359323148 /nfs/dbraw/zinc/32/31/48/359323148.db2.gz SUJPMPJAUBQYMH-NEPJUHHUSA-N 0 3 321.381 1.667 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](O)[C@H](C)C1 ZINC000186823125 200016806 /nfs/dbraw/zinc/01/68/06/200016806.db2.gz CQJOBKLCANJOJP-DOMZBBRYSA-N 0 3 321.377 1.935 20 5 DDBDHN COc1cc(CNC[C@H]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000188836622 200309566 /nfs/dbraw/zinc/30/95/66/200309566.db2.gz IZJOCZYUPDMLSO-CMPLNLGQSA-N 0 3 310.350 1.863 20 5 DDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000189406218 200395733 /nfs/dbraw/zinc/39/57/33/200395733.db2.gz QIEIOELOTMEHPY-CYBMUJFWSA-N 0 3 307.394 1.872 20 5 DDBDHN C[C@H]1C[C@@H](O)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000292409445 223059960 /nfs/dbraw/zinc/05/99/60/223059960.db2.gz LYRKFBACEFYWAR-FPMFFAJLSA-N 0 3 310.350 1.180 20 5 DDBDHN COc1ccc(OCCN(CCCO)C2CC2)c([N+](=O)[O-])c1 ZINC000610369671 360423111 /nfs/dbraw/zinc/42/31/11/360423111.db2.gz UUPBLCYHZYQZTA-UHFFFAOYSA-N 0 3 310.350 1.829 20 5 DDBDHN C[C@H](NCCCN(C)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000610538813 360463643 /nfs/dbraw/zinc/46/36/43/360463643.db2.gz WLYPRTQLMVXOLO-NSHDSACASA-N 0 3 315.395 1.527 20 5 DDBDHN C[C@H]1COCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610990901 360592338 /nfs/dbraw/zinc/59/23/38/360592338.db2.gz UFQGIZKERFOUGH-GXTWGEPZSA-N 0 3 310.350 1.445 20 5 DDBDHN C[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000359029745 299311586 /nfs/dbraw/zinc/31/15/86/299311586.db2.gz SOWIHTXJBXYJCS-NEPJUHHUSA-N 0 3 321.381 1.796 20 5 DDBDHN CC(C)[N@H+](C)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000349774436 284047818 /nfs/dbraw/zinc/04/78/18/284047818.db2.gz HXZPEWUNFFGMDS-VIFPVBQESA-N 0 3 321.424 1.663 20 5 DDBDHN CC(C)[N@@H+](C)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000349774436 284047819 /nfs/dbraw/zinc/04/78/19/284047819.db2.gz HXZPEWUNFFGMDS-VIFPVBQESA-N 0 3 321.424 1.663 20 5 DDBDHN NC1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCC1 ZINC000262326109 203263506 /nfs/dbraw/zinc/26/35/06/203263506.db2.gz RQFVHCLKRRRFOR-UHFFFAOYSA-N 0 3 304.350 1.125 20 5 DDBDHN CCN1CCCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000264659585 204060178 /nfs/dbraw/zinc/06/01/78/204060178.db2.gz HLHFJNMWUKSGQV-AWEZNQCLSA-N 0 3 321.377 1.964 20 5 DDBDHN COc1ccccc1CN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266406670 205324511 /nfs/dbraw/zinc/32/45/11/205324511.db2.gz FXJNJFMBGAIFIZ-AWEZNQCLSA-N 0 3 320.349 1.293 20 5 DDBDHN Cc1cc(C(=O)NC[C@@H](C)N(C)C2CC2)c(N)c([N+](=O)[O-])c1 ZINC000104897062 194051162 /nfs/dbraw/zinc/05/11/62/194051162.db2.gz MJFPIJRNQITTNS-SNVBAGLBSA-N 0 3 306.366 1.698 20 5 DDBDHN O=C(NC[C@H](O)CN1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000339044965 250267645 /nfs/dbraw/zinc/26/76/45/250267645.db2.gz RXQSXOBSVNDNGQ-ZDUSSCGKSA-N 0 3 308.338 1.173 20 5 DDBDHN CCC1(O)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273415435 210754569 /nfs/dbraw/zinc/75/45/69/210754569.db2.gz YFQGGOXXGOCPEI-CYBMUJFWSA-N 0 3 324.377 1.571 20 5 DDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)N(C)C ZINC000294272282 223940176 /nfs/dbraw/zinc/94/01/76/223940176.db2.gz HDFCRPQTFIZUIP-SECBINFHSA-N 0 3 312.345 1.480 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CCN1C ZINC000340948528 251296539 /nfs/dbraw/zinc/29/65/39/251296539.db2.gz CCDMCSCTGINSIM-YPMHNXCESA-N 0 3 306.366 1.877 20 5 DDBDHN CC1(C)SC[C@H]1NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567708854 304236052 /nfs/dbraw/zinc/23/60/52/304236052.db2.gz XXRSJUBJDJCURR-DGCLKSJQSA-N 0 3 312.391 1.818 20 5 DDBDHN Cc1n[nH]c(C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299503938 533665623 /nfs/dbraw/zinc/66/56/23/533665623.db2.gz DPBYZWLSUSXWOT-SNVBAGLBSA-N 0 3 323.397 1.867 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CCO)C1CC1 ZINC000071956114 406870519 /nfs/dbraw/zinc/87/05/19/406870519.db2.gz OIFQOUBBMZUSMJ-UHFFFAOYSA-N 0 3 323.349 1.389 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C2CC2)CC1 ZINC000029092927 406920312 /nfs/dbraw/zinc/92/03/12/406920312.db2.gz YFMZGYPZHDIIBN-UHFFFAOYSA-N 0 3 319.361 1.960 20 5 DDBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180577958 306695264 /nfs/dbraw/zinc/69/52/64/306695264.db2.gz SMAWAAXSRYCRBJ-JTQLQIEISA-N 0 3 307.354 1.128 20 5 DDBDHN CN(C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000123867354 407341194 /nfs/dbraw/zinc/34/11/94/407341194.db2.gz DABDPOJEZDMEFF-CYBMUJFWSA-N 0 3 315.757 1.291 20 5 DDBDHN O=C(CNC[C@H]1CCCO1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000152756892 407683072 /nfs/dbraw/zinc/68/30/72/407683072.db2.gz QWQFDECQYRGCAC-CQSZACIVSA-N 0 3 307.350 1.022 20 5 DDBDHN CCCC[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000236747679 407766859 /nfs/dbraw/zinc/76/68/59/407766859.db2.gz VUQHGIHRKNCPEN-LLVKDONJSA-N 0 3 315.395 1.699 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000237748854 407841524 /nfs/dbraw/zinc/84/15/24/407841524.db2.gz JTBWQQNVVMSLQG-NSHDSACASA-N 0 3 313.379 1.181 20 5 DDBDHN CN(C)C[C@@H]1CCCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000268128443 407905059 /nfs/dbraw/zinc/90/50/59/407905059.db2.gz LWBLSJZRXUBDTP-ZDUSSCGKSA-N 0 3 321.377 1.916 20 5 DDBDHN O=C(NCCN1CCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180007540 407846190 /nfs/dbraw/zinc/84/61/90/407846190.db2.gz ORTDHRYRVGSQLW-UHFFFAOYSA-N 0 3 307.306 1.149 20 5 DDBDHN CCOc1ccc(C(=O)N2CCN[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262782438 407927179 /nfs/dbraw/zinc/92/71/79/407927179.db2.gz LSRKCOPXCLNIDQ-QWRGUYRKSA-N 0 3 307.350 1.816 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000273075924 408046675 /nfs/dbraw/zinc/04/66/75/408046675.db2.gz GKTDTSBWIQBVJR-ZDUSSCGKSA-N 0 3 310.741 1.768 20 5 DDBDHN C[C@H](O)[C@@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181859034 408048729 /nfs/dbraw/zinc/04/87/29/408048729.db2.gz VJYJQXLRXJWSBF-IHRRRGAJSA-N 0 3 324.377 1.570 20 5 DDBDHN COC(=O)[C@@]1(C)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246221498 408182265 /nfs/dbraw/zinc/18/22/65/408182265.db2.gz DPESEKAWIDKYPG-HIFRSBDPSA-N 0 3 308.334 1.513 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C)CC1 ZINC000122188596 408264054 /nfs/dbraw/zinc/26/40/54/408264054.db2.gz AZJOOHCUHIHNIH-UHFFFAOYSA-N 0 3 306.366 1.479 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1[N+](=O)[O-] ZINC000269328123 408271707 /nfs/dbraw/zinc/27/17/07/408271707.db2.gz DMSYRUHWKIRJJX-MNOVXSKESA-N 0 3 321.381 1.750 20 5 DDBDHN O=C(C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1)N1CCCC1 ZINC000176200557 408306622 /nfs/dbraw/zinc/30/66/22/408306622.db2.gz VJMGMOFVVYOHPQ-UHFFFAOYSA-N 0 3 321.381 1.126 20 5 DDBDHN O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000171450977 162219264 /nfs/dbraw/zinc/21/92/64/162219264.db2.gz GVJAFOQUFJNPBU-CQSZACIVSA-N 0 3 303.362 1.834 20 5 DDBDHN CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)N(C)C ZINC000191618892 408457022 /nfs/dbraw/zinc/45/70/22/408457022.db2.gz LXJNVPZLEVZGJX-LBPRGKRZSA-N 0 3 308.382 1.883 20 5 DDBDHN CN(CC1CCN(C)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264208040 408404033 /nfs/dbraw/zinc/40/40/33/408404033.db2.gz LSQRLIBEHSQISR-UHFFFAOYSA-N 0 3 305.378 1.938 20 5 DDBDHN CCCc1n[nH]c(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000247289835 408444541 /nfs/dbraw/zinc/44/45/41/408444541.db2.gz GJQNSQADNRSFSJ-WDEREUQCSA-N 0 3 323.397 1.825 20 5 DDBDHN CCCc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000247289835 408444546 /nfs/dbraw/zinc/44/45/46/408444546.db2.gz GJQNSQADNRSFSJ-WDEREUQCSA-N 0 3 323.397 1.825 20 5 DDBDHN CCOC(=O)[C@@](C)(O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000274671089 408489480 /nfs/dbraw/zinc/48/94/80/408489480.db2.gz SMIZFFYUXRXEKP-NHYWBVRUSA-N 0 3 310.350 1.868 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CN1C1CC1 ZINC000177121108 408524597 /nfs/dbraw/zinc/52/45/97/408524597.db2.gz UMKKDXRQWQXLLT-NXEZZACHSA-N 0 3 304.350 1.532 20 5 DDBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)CCN1C ZINC000176868357 408461686 /nfs/dbraw/zinc/46/16/86/408461686.db2.gz NKLJEFKFQBVKBO-GHMZBOCLSA-N 0 3 306.366 1.732 20 5 DDBDHN CC[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CCN1C[C@H](C)O ZINC000247392329 408462711 /nfs/dbraw/zinc/46/27/11/408462711.db2.gz XGBSDKIGFSONRA-AAEUAGOBSA-N 0 3 313.423 1.933 20 5 DDBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000248465299 408574128 /nfs/dbraw/zinc/57/41/28/408574128.db2.gz RLDNYIMREMTOMM-RYUDHWBXSA-N 0 3 312.391 1.772 20 5 DDBDHN COC[C@@H](O)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000265429938 408647341 /nfs/dbraw/zinc/64/73/41/408647341.db2.gz RPYXXZDQSXKHMD-AWEZNQCLSA-N 0 3 320.349 1.092 20 5 DDBDHN CN(C)[C@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000177536951 408649550 /nfs/dbraw/zinc/64/95/50/408649550.db2.gz NQTDGHSRCPQENP-ZDUSSCGKSA-N 0 3 320.349 1.086 20 5 DDBDHN C[C@@H](O)CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000192820582 408654814 /nfs/dbraw/zinc/65/48/14/408654814.db2.gz HFDYUOJMAWLYAP-UONOGXRCSA-N 0 3 323.393 1.361 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCC[C@@H]1CCO ZINC000194363753 408778773 /nfs/dbraw/zinc/77/87/73/408778773.db2.gz RRXQJFBHQZREMB-ZIAGYGMSSA-N 0 3 324.377 1.571 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CCCN2C)c1 ZINC000281735319 408920029 /nfs/dbraw/zinc/92/00/29/408920029.db2.gz XUPJVOLNZOUNRI-CYBMUJFWSA-N 0 3 321.377 1.883 20 5 DDBDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2CCn1cc([N+](=O)[O-])ccc1=O ZINC000286435530 408985109 /nfs/dbraw/zinc/98/51/09/408985109.db2.gz JBFVOYUNKKICJH-BOOVAVIHSA-N 0 3 319.361 1.112 20 5 DDBDHN CN1CCN(CCNc2cc(N)ccc2[N+](=O)[O-])CC1(C)C ZINC000282318077 409032446 /nfs/dbraw/zinc/03/24/46/409032446.db2.gz TUHUJKMFBQNKBY-UHFFFAOYSA-N 0 3 307.398 1.615 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H](C)N(C3CC3)C2)n1 ZINC000287723347 409082100 /nfs/dbraw/zinc/08/21/00/409082100.db2.gz FKUQSNPAWRNZQE-NXEZZACHSA-N 0 3 320.349 1.814 20 5 DDBDHN C[C@@H](NCC1(C(N)=O)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293740354 409171942 /nfs/dbraw/zinc/17/19/42/409171942.db2.gz NNJLDZCQQQWVSH-SNVBAGLBSA-N 0 3 322.365 1.110 20 5 DDBDHN C[C@@H](CN1CCN(C)CC1)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293762897 409176134 /nfs/dbraw/zinc/17/61/34/409176134.db2.gz PDSGYYYLJNBECO-STQMWFEESA-N 0 3 321.425 1.464 20 5 DDBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H](CO)[C@@H]1CCOC1 ZINC000280262662 409280511 /nfs/dbraw/zinc/28/05/11/409280511.db2.gz JYDXLIMJKBUPFG-ZYHUDNBSSA-N 0 3 314.769 1.983 20 5 DDBDHN CCN(CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CC1 ZINC000284126496 409280567 /nfs/dbraw/zinc/28/05/67/409280567.db2.gz VFYUJJGLWRDPBR-UHFFFAOYSA-N 0 3 310.329 1.530 20 5 DDBDHN C[C@@H](O)CN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000284350123 409330073 /nfs/dbraw/zinc/33/00/73/409330073.db2.gz MFSPIUBWGDDFOX-IPKOWEFYSA-N 0 3 319.405 1.995 20 5 DDBDHN Cc1cc(OCC(=O)NCCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000280464935 409316198 /nfs/dbraw/zinc/31/61/98/409316198.db2.gz FXSTWDOETPUAKX-UHFFFAOYSA-N 0 3 307.350 1.492 20 5 DDBDHN CO[C@H]1COC[C@@H]1N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000290208732 409320854 /nfs/dbraw/zinc/32/08/54/409320854.db2.gz PSZHKZCGNBMOKY-BPNCWPANSA-N 0 3 323.349 1.315 20 5 DDBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295307464 409424166 /nfs/dbraw/zinc/42/41/66/409424166.db2.gz FSZXYKGUUZMDTI-HOTGVXAUSA-N 0 3 321.377 1.379 20 5 DDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CN(C)CCN1C ZINC000344918381 409554862 /nfs/dbraw/zinc/55/48/62/409554862.db2.gz XOFRILVQWCBZRH-RKCSUWQLSA-N 0 3 318.421 1.834 20 5 DDBDHN CN(c1nc2sccn2c1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000354079590 409636813 /nfs/dbraw/zinc/63/68/13/409636813.db2.gz IXEXWCJLXITCFO-SNVBAGLBSA-N 0 3 307.379 1.977 20 5 DDBDHN CN(CCC[NH+]1CCN(C)CC1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000349301439 409784722 /nfs/dbraw/zinc/78/47/22/409784722.db2.gz VDDXOWOAADAWAK-UHFFFAOYSA-N 0 3 322.409 1.370 20 5 DDBDHN CN(C)CCOc1cc(CNc2ccncc2[N+](=O)[O-])ccn1 ZINC000342799791 409912308 /nfs/dbraw/zinc/91/23/08/409912308.db2.gz NMYNVUTWLSHGDT-UHFFFAOYSA-N 0 3 317.349 1.359 20 5 DDBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C)C1 ZINC000346229195 409870248 /nfs/dbraw/zinc/87/02/48/409870248.db2.gz ROXQSCVDGWXFEA-SRVKXCTJSA-N 0 3 307.350 1.990 20 5 DDBDHN C[C@H](CN(C)C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000346260995 409885669 /nfs/dbraw/zinc/88/56/69/409885669.db2.gz LQOWJTWRYWVIEY-SNVBAGLBSA-N 0 3 304.350 1.685 20 5 DDBDHN CN(C)CCOc1cc(CNc2ccc([N+](=O)[O-])nc2)ccn1 ZINC000342770289 409892754 /nfs/dbraw/zinc/89/27/54/409892754.db2.gz GBYSUBVULRFRKP-UHFFFAOYSA-N 0 3 317.349 1.937 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000332239814 410007411 /nfs/dbraw/zinc/00/74/11/410007411.db2.gz IOIPQZRZMLZKKB-VHSXEESVSA-N 0 3 317.349 1.684 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CCN1C ZINC000357392605 410011070 /nfs/dbraw/zinc/01/10/70/410011070.db2.gz OAOIUFQQRAXKPC-STQMWFEESA-N 0 3 320.393 1.996 20 5 DDBDHN COc1ccc(CN2CCO[C@@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000332321981 410065792 /nfs/dbraw/zinc/06/57/92/410065792.db2.gz RORRSKDNHWUOAB-GDBMZVCRSA-N 0 3 321.377 1.508 20 5 DDBDHN CN(C)[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000298745182 410380506 /nfs/dbraw/zinc/38/05/06/410380506.db2.gz YAPWAWYTSYRZKA-CYBMUJFWSA-N 0 3 317.349 1.210 20 5 DDBDHN COCCN1CC[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347469557 410568216 /nfs/dbraw/zinc/56/82/16/410568216.db2.gz ZADUZMMJPMHGDP-LLVKDONJSA-N 0 3 317.349 1.671 20 5 DDBDHN CN(CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000340095663 410672795 /nfs/dbraw/zinc/67/27/95/410672795.db2.gz PSBXXPQKODRJPV-UHFFFAOYSA-N 0 3 316.361 1.829 20 5 DDBDHN CC[C@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)N(C)C ZINC000359615859 410774998 /nfs/dbraw/zinc/77/49/98/410774998.db2.gz MQLYJZCMOQCTNI-CYBMUJFWSA-N 0 3 307.350 1.656 20 5 DDBDHN C[C@H]1CCN(C)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340296755 410835598 /nfs/dbraw/zinc/83/55/98/410835598.db2.gz FZKXDSNZLRYZSP-ZDUSSCGKSA-N 0 3 320.393 1.873 20 5 DDBDHN Cn1c(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000356300133 410954644 /nfs/dbraw/zinc/95/46/44/410954644.db2.gz OERNBOUUNRRSMO-HNNXBMFYSA-N 0 3 306.366 1.491 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CC3(O)CCCC3)C2)nc1 ZINC000331420061 411079873 /nfs/dbraw/zinc/07/98/73/411079873.db2.gz KTPOLQGHQZDGFG-GFCCVEGCSA-N 0 3 306.366 1.781 20 5 DDBDHN CN(C)CCN1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000131869930 196205318 /nfs/dbraw/zinc/20/53/18/196205318.db2.gz MCFDBWYETSDRNS-UHFFFAOYSA-N 0 3 324.356 1.053 20 5 DDBDHN CNc1c(C(=O)N[C@H]2CCCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000360931173 418549358 /nfs/dbraw/zinc/54/93/58/418549358.db2.gz MHWBMPPJSHRXCT-PWSUYJOCSA-N 0 3 306.366 1.849 20 5 DDBDHN CNc1c(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000360954386 418553930 /nfs/dbraw/zinc/55/39/30/418553930.db2.gz MMZGEIXVVCUSKK-QWRGUYRKSA-N 0 3 318.377 1.992 20 5 DDBDHN COCCN(C)CCCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000193200391 222146267 /nfs/dbraw/zinc/14/62/67/222146267.db2.gz FEBHCQDELVBYDJ-UHFFFAOYSA-N 0 3 324.381 1.362 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CC[C@H](C[NH3+])C1 ZINC000382482727 418731454 /nfs/dbraw/zinc/73/14/54/418731454.db2.gz XOMGIOGIROLBDC-WDEREUQCSA-N 0 3 313.379 1.309 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCN(C)CC12CCCCC2 ZINC000361939920 418727641 /nfs/dbraw/zinc/72/76/41/418727641.db2.gz OSSPHINXKIGTMQ-UHFFFAOYSA-N 0 3 307.398 1.779 20 5 DDBDHN COc1cc(C[NH2+]CC2(CC(N)=O)CC2)c([N+](=O)[O-])cc1[O-] ZINC000421348457 419576959 /nfs/dbraw/zinc/57/69/59/419576959.db2.gz GIMWYDGUQICVJB-UHFFFAOYSA-N 0 3 309.322 1.054 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1(CC(N)=O)CC1 ZINC000421348726 419578023 /nfs/dbraw/zinc/57/80/23/419578023.db2.gz GZWOIUMHRVFIJV-UHFFFAOYSA-N 0 3 307.350 1.739 20 5 DDBDHN COc1cccc(C(=O)N(C)C[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000421709844 419691790 /nfs/dbraw/zinc/69/17/90/419691790.db2.gz HKVLXAYGWAEIJC-LLVKDONJSA-N 0 3 307.350 1.770 20 5 DDBDHN COCCNCCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000418498482 419837500 /nfs/dbraw/zinc/83/75/00/419837500.db2.gz MGQXWOFUJCVHLN-UHFFFAOYSA-N 0 3 324.381 1.365 20 5 DDBDHN COCCNCCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000423524834 420071063 /nfs/dbraw/zinc/07/10/63/420071063.db2.gz TTYVXMWJWXFUDU-UHFFFAOYSA-N 0 3 309.366 1.684 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCNC[C@H]2c2ccccc2)c1 ZINC000420398866 420262263 /nfs/dbraw/zinc/26/22/63/420262263.db2.gz HDKCNGOEVUGDHW-HNNXBMFYSA-N 0 3 301.350 1.438 20 5 DDBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)CCC[NH3+])c1[N+](=O)[O-] ZINC000420434442 420283701 /nfs/dbraw/zinc/28/37/01/420283701.db2.gz FCCRBOSAEUMDBZ-NSHDSACASA-N 0 3 315.395 1.617 20 5 DDBDHN COc1cc(OCC(=O)NCC2(N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000416301603 420319102 /nfs/dbraw/zinc/31/91/02/420319102.db2.gz LRDSCPHFIUVSTD-UHFFFAOYSA-N 0 3 323.349 1.193 20 5 DDBDHN COCCN1CCC(Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420583789 420322230 /nfs/dbraw/zinc/32/22/30/420322230.db2.gz LDIWDLBENNDZLH-UHFFFAOYSA-N 0 3 322.365 1.216 20 5 DDBDHN COc1cc(CN(CCO)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000444777795 230133737 /nfs/dbraw/zinc/13/37/37/230133737.db2.gz QZNWBZBPVUYMIJ-UHFFFAOYSA-N 0 3 310.350 1.577 20 5 DDBDHN O=C(NC[C@@H]1CCCN1CCCO)Nc1cccc([N+](=O)[O-])c1 ZINC000454150245 420806856 /nfs/dbraw/zinc/80/68/56/420806856.db2.gz QJVRXOKNIPOJBV-AWEZNQCLSA-N 0 3 322.365 1.563 20 5 DDBDHN CO[C@H]1C[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000459741889 420862129 /nfs/dbraw/zinc/86/21/29/420862129.db2.gz CDIJCGSGZKNIGM-KBPBESRZSA-N 0 3 319.361 1.741 20 5 DDBDHN CNc1nc(C(=O)N(C)C[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000455667260 421051561 /nfs/dbraw/zinc/05/15/61/421051561.db2.gz QDHNQBOSDJAKMX-NSHDSACASA-N 0 3 321.381 1.445 20 5 DDBDHN CNc1nc(C(=O)N[C@H]2CCCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000456066598 421095224 /nfs/dbraw/zinc/09/52/24/421095224.db2.gz MMXGZNZUYJPBJU-NSHDSACASA-N 0 3 321.381 1.634 20 5 DDBDHN CSCC[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000455816622 421064925 /nfs/dbraw/zinc/06/49/25/421064925.db2.gz XFQLQPSUAFJJJF-LLVKDONJSA-N 0 3 317.798 1.945 20 5 DDBDHN Cc1nn(C)c(C(=O)Nc2ccccc2CN(C)C)c1[N+](=O)[O-] ZINC000560497803 421273736 /nfs/dbraw/zinc/27/37/36/421273736.db2.gz OCHXMDSKYLPHPI-UHFFFAOYSA-N 0 3 317.349 1.951 20 5 DDBDHN C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000561765160 421335146 /nfs/dbraw/zinc/33/51/46/421335146.db2.gz IJYCSETYMRWJCL-VIFPVBQESA-N 0 3 309.322 1.046 20 5 DDBDHN CCC[C@@H](C)[C@H](CO)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000516574134 421554534 /nfs/dbraw/zinc/55/45/34/421554534.db2.gz KYURRRGZMIQAIW-YPMHNXCESA-N 0 3 309.366 1.920 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000571483233 421719843 /nfs/dbraw/zinc/71/98/43/421719843.db2.gz PLOMAHSVRCVPAZ-INIZCTEOSA-N 0 3 319.361 1.090 20 5 DDBDHN CN1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000521114074 421773700 /nfs/dbraw/zinc/77/37/00/421773700.db2.gz RAXKJPYPMKFHGU-JTQLQIEISA-N 0 3 321.333 1.048 20 5 DDBDHN CCCN1CCC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000521884218 421805301 /nfs/dbraw/zinc/80/53/01/421805301.db2.gz GPNFUUKHNFTCNT-OAHLLOKOSA-N 0 3 321.377 1.964 20 5 DDBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000576595432 422376540 /nfs/dbraw/zinc/37/65/40/422376540.db2.gz LBZFSGVJVDGOMG-LLVKDONJSA-N 0 3 321.381 1.636 20 5 DDBDHN CC[C@H](C)N[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccco1 ZINC000578788955 422649410 /nfs/dbraw/zinc/64/94/10/422649410.db2.gz PHGHCSNBFKAFKK-GXSJLCMTSA-N 0 3 321.337 1.770 20 5 DDBDHN CO[C@@H](C)[C@H](C)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000191715207 263461387 /nfs/dbraw/zinc/46/13/87/263461387.db2.gz DUVLAODOPVRKNJ-MJVIPROJSA-N 0 3 307.350 1.713 20 5 DDBDHN C[C@H](N[C@@H](C)[C@@H]1CCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000337230278 274518188 /nfs/dbraw/zinc/51/81/88/274518188.db2.gz VTSRBBVFJCKHIZ-SDDRHHMPSA-N 0 3 307.350 1.936 20 5 DDBDHN CNCCN(C)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000070303996 277270627 /nfs/dbraw/zinc/27/06/27/277270627.db2.gz HHOHOLJUTXFFNS-UHFFFAOYSA-N 0 3 301.368 1.052 20 5 DDBDHN C[C@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N(C)C ZINC000279619460 279328111 /nfs/dbraw/zinc/32/81/11/279328111.db2.gz SRZKBPIYVUUZRR-MRVPVSSYSA-N 0 3 317.748 1.996 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CC3(O)CCOCC3)C2)nc1 ZINC000122284229 281153975 /nfs/dbraw/zinc/15/39/75/281153975.db2.gz KDAXKWINGSMUPZ-LBPRGKRZSA-N 0 3 322.365 1.018 20 5 DDBDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357933505 299024648 /nfs/dbraw/zinc/02/46/48/299024648.db2.gz JFCQDHXWHVBZKG-LBPRGKRZSA-N 0 3 323.397 1.569 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@H]21 ZINC000362279586 300043076 /nfs/dbraw/zinc/04/30/76/300043076.db2.gz HQQQUWXEYODFOY-NOZJJQNGSA-N 0 3 322.340 1.482 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000368504815 301042931 /nfs/dbraw/zinc/04/29/31/301042931.db2.gz SDICCRDUEXHITK-CJNGLKHVSA-N 0 3 319.361 1.750 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160555738 301849889 /nfs/dbraw/zinc/84/98/89/301849889.db2.gz TWRVFZJTUDOVHN-CYBMUJFWSA-N 0 3 321.377 1.480 20 5 DDBDHN CC(C)[C@@]1(CO)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000377651843 302204179 /nfs/dbraw/zinc/20/41/79/302204179.db2.gz KGAWZKZZVPQTKD-HOTGVXAUSA-N 0 3 308.378 1.969 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000447243750 302395952 /nfs/dbraw/zinc/39/59/52/302395952.db2.gz JMRQFEVMJCEYJT-QWRGUYRKSA-N 0 3 313.379 1.322 20 5 DDBDHN CN(C)[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000518772703 302829891 /nfs/dbraw/zinc/82/98/91/302829891.db2.gz WORQXXZFFRFEKB-SNVBAGLBSA-N 0 3 321.333 1.490 20 5 DDBDHN COc1c(C(=O)NC[C@@H](C)N2CCCC2)cccc1[N+](=O)[O-] ZINC000530473851 303198685 /nfs/dbraw/zinc/19/86/85/303198685.db2.gz GRDXFHRYLYPTJO-LLVKDONJSA-N 0 3 307.350 1.818 20 5 DDBDHN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCCC[C@@H](N2CCCC2)C1 ZINC000548942876 303599748 /nfs/dbraw/zinc/59/97/48/303599748.db2.gz DXUAYIGXFUOKMY-LLVKDONJSA-N 0 3 307.354 1.408 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000365189294 307061172 /nfs/dbraw/zinc/06/11/72/307061172.db2.gz BAXCGHTYRUIMBE-GDBMZVCRSA-N 0 3 319.361 1.999 20 5 DDBDHN O=C1OCC[C@H]1CCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369004146 307114319 /nfs/dbraw/zinc/11/43/19/307114319.db2.gz YNPZAOVNUMJLEU-VXGBXAGGSA-N 0 3 308.338 1.381 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCC[C@@H](CO)C2)c1 ZINC000374047157 307200586 /nfs/dbraw/zinc/20/05/86/307200586.db2.gz ANYIWNKVDZIZNQ-HIFRSBDPSA-N 0 3 324.377 1.429 20 5 DDBDHN COC(=O)NCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000496532079 307348508 /nfs/dbraw/zinc/34/85/08/307348508.db2.gz ZJAOVOWUMIOQSH-PELKAZGASA-N 0 3 314.269 1.431 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000570267100 308165167 /nfs/dbraw/zinc/16/51/67/308165167.db2.gz CWVHXXMUKLXYBZ-INIZCTEOSA-N 0 3 319.361 1.090 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000577342901 308379994 /nfs/dbraw/zinc/37/99/94/308379994.db2.gz NAPHUBUKJRJLDJ-OCCSQVGLSA-N 0 3 304.350 1.440 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000577987435 308428521 /nfs/dbraw/zinc/42/85/21/308428521.db2.gz HNMVGMSTALSLBQ-STQMWFEESA-N 0 3 321.377 1.267 20 5 DDBDHN Cc1ccc(CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000452046073 533872356 /nfs/dbraw/zinc/87/23/56/533872356.db2.gz UZMSCMYTDBPDOW-MRXNPFEDSA-N 0 3 318.377 1.901 20 5 DDBDHN COc1cc(C[NH2+][C@H]2CC[C@H](CO)CC2)c([N+](=O)[O-])cc1[O-] ZINC000295831553 533908597 /nfs/dbraw/zinc/90/85/97/533908597.db2.gz VKVWMRBCUCTPGB-UMSPYCQHSA-N 0 3 310.350 1.950 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1=CC[NH2+]CC1 ZINC000189295971 524908755 /nfs/dbraw/zinc/90/87/55/524908755.db2.gz XNNQGCVDVOJTIF-UHFFFAOYSA-N 0 3 311.363 1.101 20 5 DDBDHN O=[N+]([O-])c1ccccc1CN1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000451300858 534887249 /nfs/dbraw/zinc/88/72/49/534887249.db2.gz MREMEGJMKQVKRJ-FMKPAKJESA-N 0 3 306.362 1.957 20 5 DDBDHN CC1(C)OCC[C@@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451245529 527804054 /nfs/dbraw/zinc/80/40/54/527804054.db2.gz UCAXHKIRZGWGJN-KGLIPLIRSA-N 0 3 319.361 1.857 20 5 DDBDHN CC1(C)COC[C@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451809695 529134792 /nfs/dbraw/zinc/13/47/92/529134792.db2.gz JUIZLHZEFJLJPN-UONOGXRCSA-N 0 3 319.361 1.715 20 5 DDBDHN C[C@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820716761 599083942 /nfs/dbraw/zinc/08/39/42/599083942.db2.gz LADFTAIGWDTANV-JTQLQIEISA-N 0 3 317.353 1.671 20 5 DDBDHN C[C@H]1CCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820716761 599083946 /nfs/dbraw/zinc/08/39/46/599083946.db2.gz LADFTAIGWDTANV-JTQLQIEISA-N 0 3 317.353 1.671 20 5 DDBDHN C[C@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820716761 599083948 /nfs/dbraw/zinc/08/39/48/599083948.db2.gz LADFTAIGWDTANV-JTQLQIEISA-N 0 3 317.353 1.671 20 5 DDBDHN C[C@H]1CCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820716761 599083951 /nfs/dbraw/zinc/08/39/51/599083951.db2.gz LADFTAIGWDTANV-JTQLQIEISA-N 0 3 317.353 1.671 20 5 DDBDHN CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000821253908 599214488 /nfs/dbraw/zinc/21/44/88/599214488.db2.gz JCAVHFHPSMQRAK-UHFFFAOYSA-N 0 3 318.341 1.066 20 5 DDBDHN CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000821253908 599214491 /nfs/dbraw/zinc/21/44/91/599214491.db2.gz JCAVHFHPSMQRAK-UHFFFAOYSA-N 0 3 318.341 1.066 20 5 DDBDHN COC(=O)CC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278781 698091526 /nfs/dbraw/zinc/09/15/26/698091526.db2.gz VSIZGWYBGXYKOC-HNNXBMFYSA-N 0 3 322.361 1.903 20 5 DDBDHN COC(=O)[C@@]1(C)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776586970 698122532 /nfs/dbraw/zinc/12/25/32/698122532.db2.gz RTDPGTMBFZCJDY-HIFRSBDPSA-N 0 3 308.334 1.513 20 5 DDBDHN COC(=O)C[C@H]1CCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590917 698123642 /nfs/dbraw/zinc/12/36/42/698123642.db2.gz MFRSJDQBNAWYMN-ZIAGYGMSSA-N 0 3 308.334 1.656 20 5 DDBDHN Cc1nc2n(n1)C[C@@H](NCc1cccc([N+](=O)[O-])c1C)CC2 ZINC000729931727 699495540 /nfs/dbraw/zinc/49/55/40/699495540.db2.gz TZDLLEMAHNAFNK-ZDUSSCGKSA-N 0 3 301.350 1.908 20 5 DDBDHN COC(=O)C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000754520781 700507856 /nfs/dbraw/zinc/50/78/56/700507856.db2.gz JHWIPVGWVMMYAH-GFCCVEGCSA-N 0 3 321.333 1.125 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](CO)C1CC1 ZINC000763064220 700923541 /nfs/dbraw/zinc/92/35/41/700923541.db2.gz DTFUYKOBNATIQN-TVQRCGJNSA-N 0 3 323.349 1.291 20 5 DDBDHN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804396399 701186021 /nfs/dbraw/zinc/18/60/21/701186021.db2.gz HFJVLQHZTHVVKU-QWRGUYRKSA-N 0 3 322.321 1.778 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CCO)C1CC1 ZINC000771797451 701330986 /nfs/dbraw/zinc/33/09/86/701330986.db2.gz ADGMMDGSCKXBCP-LBPRGKRZSA-N 0 3 323.349 1.293 20 5 DDBDHN CN(C)c1ncc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)n1C ZINC000840894016 702273297 /nfs/dbraw/zinc/27/32/97/702273297.db2.gz MUJLCXCFVYXEHT-AWEZNQCLSA-N 0 3 319.365 1.218 20 5 DDBDHN CC(COC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1)[N+](=O)[O-] ZINC000813105961 702292899 /nfs/dbraw/zinc/29/28/99/702292899.db2.gz WNBBMVREASLXOK-MNOVXSKESA-N 0 3 300.355 1.480 20 5 DDBDHN CC(COC(=O)C1(S(=O)(=O)c2ccccc2)CC1)[N+](=O)[O-] ZINC000813109777 702296509 /nfs/dbraw/zinc/29/65/09/702296509.db2.gz WOPVOGKKIVVQDO-JTQLQIEISA-N 0 3 313.331 1.201 20 5 DDBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H](C)C(=O)NCCF ZINC000866355080 706680092 /nfs/dbraw/zinc/68/00/92/706680092.db2.gz SWGFUQRAOHSBGO-ZJUUUORDSA-N 0 3 315.320 1.729 20 5 DDBDHN CC([C@@H](OC(=O)c1cn(C)nn1)c1ccccc1F)[N+](=O)[O-] ZINC000845877726 703211667 /nfs/dbraw/zinc/21/16/67/703211667.db2.gz GLQQMQHCXUPDLJ-PRHODGIISA-N 0 3 308.269 1.518 20 5 DDBDHN CC([C@@H](OC(=O)c1ncn(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845882392 703211881 /nfs/dbraw/zinc/21/18/81/703211881.db2.gz OQBSQGDYDFRMSA-GZMMTYOYSA-N 0 3 308.269 1.518 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000852314406 704008361 /nfs/dbraw/zinc/00/83/61/704008361.db2.gz SKLMQWZKHGTNQG-DOMZBBRYSA-N 0 3 317.349 1.242 20 5 DDBDHN CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1CCN(CC)C1 ZINC000855490728 704487494 /nfs/dbraw/zinc/48/74/94/704487494.db2.gz KOJNWZXLZVHLCQ-JTQLQIEISA-N 0 3 324.356 1.872 20 5 DDBDHN C[C@@H]1CCCN(CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825098960 705599316 /nfs/dbraw/zinc/59/93/16/705599316.db2.gz RAHWASLORUWKMO-IUODEOHRSA-N 0 3 321.377 1.476 20 5 DDBDHN COC[C@@]1(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CCCCN1 ZINC000877240698 706029976 /nfs/dbraw/zinc/02/99/76/706029976.db2.gz GVJGHHGFSDPXCS-MRXNPFEDSA-N 0 3 321.377 1.678 20 5 DDBDHN COC[C@H](O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872071220 707287858 /nfs/dbraw/zinc/28/78/58/707287858.db2.gz ZXMVTIIRXADMFQ-MWLCHTKSSA-N 0 3 300.380 1.975 20 5 DDBDHN CCN1CCN([C@@H](C)CNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881808197 707373722 /nfs/dbraw/zinc/37/37/22/707373722.db2.gz PAKHNEQKSRWDPI-NSHDSACASA-N 0 3 311.361 1.567 20 5 DDBDHN CO[C@H]1C[C@@H](CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000877918368 706240764 /nfs/dbraw/zinc/24/07/64/706240764.db2.gz QLMSQVANTPHFOF-XBXGTLAGSA-N 0 3 306.366 1.537 20 5 DDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CCCn3nccc32)c1 ZINC000872243127 707345516 /nfs/dbraw/zinc/34/55/16/707345516.db2.gz SRULVIGMQFMBDL-DZGCQCFKSA-N 0 3 302.334 1.949 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H]1CN(C)CCN1C ZINC000873051184 707709570 /nfs/dbraw/zinc/70/95/70/707709570.db2.gz DELOHTIHAZAUEN-CQSZACIVSA-N 0 3 306.410 1.547 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000897222772 708260634 /nfs/dbraw/zinc/26/06/34/708260634.db2.gz XMKVGCYVANMTET-ZIAGYGMSSA-N 0 3 305.378 1.939 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2CC(N3CCCC3)C2)c1[N+](=O)[O-] ZINC000898611596 708810948 /nfs/dbraw/zinc/81/09/48/708810948.db2.gz YLMBXDQGJYRJQN-UHFFFAOYSA-N 0 3 307.354 1.191 20 5 DDBDHN CCCc1n[n-]c(C(=O)N2CC([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000898611596 708810950 /nfs/dbraw/zinc/81/09/50/708810950.db2.gz YLMBXDQGJYRJQN-UHFFFAOYSA-N 0 3 307.354 1.191 20 5 DDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000892417925 710434094 /nfs/dbraw/zinc/43/40/94/710434094.db2.gz KGYDYGUNERFCSF-LSDHHAIUSA-N 0 3 318.377 1.973 20 5 DDBDHN COc1cc(C(=O)N[C@H]2CCN(C)[C@H]2C)cc([N+](=O)[O-])c1C ZINC000928438767 713195957 /nfs/dbraw/zinc/19/59/57/713195957.db2.gz GVCNLTZQIVFTAR-JQWIXIFHSA-N 0 3 307.350 1.734 20 5 DDBDHN COc1ccc(CC(=O)N[C@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928451247 713202598 /nfs/dbraw/zinc/20/25/98/713202598.db2.gz VIRSIIPMANSJNQ-PWSUYJOCSA-N 0 3 307.350 1.355 20 5 DDBDHN CN1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(C)C ZINC000895564971 711542729 /nfs/dbraw/zinc/54/27/29/711542729.db2.gz RBMLFLBGHBMZIO-UHFFFAOYSA-N 0 3 321.377 1.892 20 5 DDBDHN CN1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(NC[C@@H]2CCN2C)n1 ZINC000895770300 711601349 /nfs/dbraw/zinc/60/13/49/711601349.db2.gz LUBOMHMXXRLYHB-NEPJUHHUSA-N 0 3 320.397 1.222 20 5 DDBDHN COc1c(O)ccc(CN[C@@H]2CCO[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000896408870 711721670 /nfs/dbraw/zinc/72/16/70/711721670.db2.gz CPKDLQKABCFYDZ-RISCZKNCSA-N 0 3 308.334 1.966 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCN2C2CCOCC2)n1 ZINC000896524203 711738247 /nfs/dbraw/zinc/73/82/47/711738247.db2.gz WDBLAOPBOQATSP-ZDUSSCGKSA-N 0 3 306.366 1.963 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)c1[N+](=O)[O-] ZINC000923287730 714298372 /nfs/dbraw/zinc/29/83/72/714298372.db2.gz FLBSVNJCRMWWQQ-MNOVXSKESA-N 0 3 321.381 1.579 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)c1[N+](=O)[O-] ZINC000923287730 714298374 /nfs/dbraw/zinc/29/83/74/714298374.db2.gz FLBSVNJCRMWWQQ-MNOVXSKESA-N 0 3 321.381 1.579 20 5 DDBDHN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H]2[C@H]1CCCN2CCO ZINC000934260295 714778127 /nfs/dbraw/zinc/77/81/27/714778127.db2.gz WDBIAULKMYMJLT-CVEARBPZSA-N 0 3 323.368 1.765 20 5 DDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cncc(F)c1 ZINC001125577579 734652717 /nfs/dbraw/zinc/65/27/17/734652717.db2.gz MQPHOQXMHAYOCJ-UHFFFAOYSA-N 0 3 318.308 1.649 20 5 DDBDHN O=C(CCc1ncc[nH]1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126436958 740111992 /nfs/dbraw/zinc/11/19/92/740111992.db2.gz PANCEJZPABPISL-UHFFFAOYSA-N 0 3 317.349 1.157 20 5 DDBDHN Cc1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)nn1 ZINC001126926900 742685929 /nfs/dbraw/zinc/68/59/29/742685929.db2.gz VJGFINSCWSGGCJ-UHFFFAOYSA-N 0 3 315.333 1.213 20 5 DDBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1ccncn1 ZINC001168805823 762042481 /nfs/dbraw/zinc/04/24/81/762042481.db2.gz YCSZVLREGSIKBE-UHFFFAOYSA-N 0 3 321.362 1.356 20 5 DDBDHN CCOC(=O)c1cc(N[C@H](C)[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001170574708 768225309 /nfs/dbraw/zinc/22/53/09/768225309.db2.gz NYVKHNDMPGVFKD-QMTHXVAHSA-N 0 3 323.349 1.560 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CN1C1CC1 ZINC001137492694 766350603 /nfs/dbraw/zinc/35/06/03/766350603.db2.gz XKJYELPGUCOFHQ-BQBZGAKWSA-N 0 3 313.745 1.326 20 5 DDBDHN Cc1nc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC001135669238 771643140 /nfs/dbraw/zinc/64/31/40/771643140.db2.gz FZGNEBBCKAEJSC-UHFFFAOYSA-N 0 3 318.333 1.719 20 5 DDBDHN CC(C)N(C)CC(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1 ZINC001101657650 777352913 /nfs/dbraw/zinc/35/29/13/777352913.db2.gz JDOBKOHPLILQKW-UHFFFAOYSA-N 0 3 308.382 1.805 20 5 DDBDHN CCCN(C)CC(=O)N(C)CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001101705321 777414825 /nfs/dbraw/zinc/41/48/25/777414825.db2.gz ARNRKHVLHUSZFG-UHFFFAOYSA-N 0 3 323.397 1.510 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001176532607 778172237 /nfs/dbraw/zinc/17/22/37/778172237.db2.gz BFXDMPOYMISLRM-UONOGXRCSA-N 0 3 319.361 1.184 20 5 DDBDHN CN1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001178709985 779154744 /nfs/dbraw/zinc/15/47/44/779154744.db2.gz UAWOKBKEAMLKOV-CYBMUJFWSA-N 0 3 306.366 1.463 20 5 DDBDHN CC(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001271016862 843136779 /nfs/dbraw/zinc/13/67/79/843136779.db2.gz KECXYDSLJFXSGR-UHFFFAOYSA-N 0 3 307.350 1.370 20 5 DDBDHN Cc1cc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001155191389 861817620 /nfs/dbraw/zinc/81/76/20/861817620.db2.gz JDTLKDUCMIFEBL-UHFFFAOYSA-N 0 3 317.349 1.536 20 5 DDBDHN O=C(Cc1ccc[nH]1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001151781791 862965300 /nfs/dbraw/zinc/96/53/00/862965300.db2.gz NFYPAMOJZLEEAW-UHFFFAOYSA-N 0 3 302.334 1.371 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])C1=COCCO1 ZINC001154362306 861043172 /nfs/dbraw/zinc/04/31/72/861043172.db2.gz RJOINAGTJFOGOZ-UHFFFAOYSA-N 0 3 321.333 1.079 20 5 DDBDHN COc1cc2ncnc(N[C@H]3CCN(C)C3)c2cc1[N+](=O)[O-] ZINC001156580870 863164232 /nfs/dbraw/zinc/16/42/32/863164232.db2.gz YHIHDCKEYXGXKM-VIFPVBQESA-N 0 3 303.322 1.663 20 5 DDBDHN Cc1c[nH]nc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001157669876 864033261 /nfs/dbraw/zinc/03/32/61/864033261.db2.gz IFQKZJQJFMHONE-UHFFFAOYSA-N 0 3 323.378 1.598 20 5 DDBDHN CN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001158366056 864605689 /nfs/dbraw/zinc/60/56/89/864605689.db2.gz VFNZCCVFZMSXAT-SECBINFHSA-N 0 3 310.329 1.530 20 5 DDBDHN Cc1cc(-n2nncc2CN)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001158427676 864648149 /nfs/dbraw/zinc/64/81/49/864648149.db2.gz DAXRAXOOSSFEIH-UHFFFAOYSA-N 0 3 311.305 1.400 20 5 DDBDHN COc1c(O)ccc(CN2CCN(C)C(C)(C)C2)c1[N+](=O)[O-] ZINC001334318377 867482018 /nfs/dbraw/zinc/48/20/18/867482018.db2.gz HVLLIFDTIGKOGN-UHFFFAOYSA-N 0 3 309.366 1.835 20 5 DDBDHN COc1ncc([N+](=O)[O-])c(-n2c3ccccc3nc2[C@H](C)N)n1 ZINC001162757827 867802492 /nfs/dbraw/zinc/80/24/92/867802492.db2.gz COQQPYZWPYKEOZ-QMMMGPOBSA-N 0 3 314.305 1.752 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CCN(C)CCO ZINC001217422691 877195475 /nfs/dbraw/zinc/19/54/75/877195475.db2.gz MHCAHZZFORRCLV-UHFFFAOYSA-N 0 3 324.381 1.599 20 5 DDBDHN COC(=O)c1cccc(CO[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC001223662786 881050436 /nfs/dbraw/zinc/05/04/36/881050436.db2.gz NIDPHJULPQINJZ-LBPRGKRZSA-N 0 3 308.334 1.992 20 5 DDBDHN CN1CCC(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC1 ZINC001247453241 893199522 /nfs/dbraw/zinc/19/95/22/893199522.db2.gz GSBCSLNZYHMOQV-UHFFFAOYSA-N 0 3 307.285 1.988 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(CC)C[C@H]2C)n1 ZINC000248684921 282099386 /nfs/dbraw/zinc/09/93/86/282099386.db2.gz YSHDXJJSJXCBME-NEPJUHHUSA-N 0 3 323.397 1.614 20 5 DDBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451624712 231141368 /nfs/dbraw/zinc/14/13/68/231141368.db2.gz BADDLCDEHNSWDT-SLEUVZQESA-N 0 3 318.377 1.558 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](CCCO)C1 ZINC000452126066 231311818 /nfs/dbraw/zinc/31/18/18/231311818.db2.gz TZIQTMRWBLGYAA-UONOGXRCSA-N 0 3 324.377 1.429 20 5 DDBDHN CCO[C@@H]1C[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000090550316 185302543 /nfs/dbraw/zinc/30/25/43/185302543.db2.gz SVLIWMZTHGHALV-UONOGXRCSA-N 0 3 323.393 1.892 20 5 DDBDHN CN1C[C@@H]2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425061296 529822237 /nfs/dbraw/zinc/82/22/37/529822237.db2.gz YQSQONVHIBCBRA-DZGCQCFKSA-N 0 3 303.362 1.690 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1CC[C@H](O)C1)OCCO2 ZINC000616094551 362545134 /nfs/dbraw/zinc/54/51/34/362545134.db2.gz BWNUZOMQSAATPO-PWSUYJOCSA-N 0 3 308.334 1.617 20 5 DDBDHN C[C@H](O)C[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000279671851 215049609 /nfs/dbraw/zinc/04/96/09/215049609.db2.gz DLYXIGJOPYGWIV-STQMWFEESA-N 0 3 309.366 1.382 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(CC3CC3)C2)n1 ZINC000617405652 363090577 /nfs/dbraw/zinc/09/05/77/363090577.db2.gz JAEFVYIGTQDJIQ-NSHDSACASA-N 0 3 307.354 1.025 20 5 DDBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCN(C)C1CC1 ZINC000287240716 219399891 /nfs/dbraw/zinc/39/98/91/219399891.db2.gz WVQCSJPBBLCQRZ-UHFFFAOYSA-N 0 3 320.393 1.873 20 5 DDBDHN COCCN(CCN(C)C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491533871 234195460 /nfs/dbraw/zinc/19/54/60/234195460.db2.gz RRZXFQPALMDPCA-BQYQJAHWSA-N 0 3 321.377 1.645 20 5 DDBDHN C[C@@H]1CCCCN1CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000068121332 353090109 /nfs/dbraw/zinc/09/01/09/353090109.db2.gz HPBFNSLFFWLSGP-GFCCVEGCSA-N 0 3 309.370 1.172 20 5 DDBDHN C[C@@H]1COCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000331926352 234285000 /nfs/dbraw/zinc/28/50/00/234285000.db2.gz CUZOQUDSTBRKHI-JSGCOSHPSA-N 0 3 310.350 1.303 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](c3ccccc3)C2)c1 ZINC000075675353 353375865 /nfs/dbraw/zinc/37/58/65/353375865.db2.gz LCKZXHWNLNPITC-HOCLYGCPSA-N 0 3 316.361 1.642 20 5 DDBDHN CN1CC[C@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)[C@@H]2C1 ZINC000585779643 354839789 /nfs/dbraw/zinc/83/97/89/354839789.db2.gz HPHVDOBKSKGTAJ-IINYFYTJSA-N 0 3 306.366 1.200 20 5 DDBDHN Cc1cc(C(=O)N[C@@H](CO)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000588867228 354944023 /nfs/dbraw/zinc/94/40/23/354944023.db2.gz MMEZFVUCEXVHIM-CYBMUJFWSA-N 0 3 307.350 1.090 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590443744 355097835 /nfs/dbraw/zinc/09/78/35/355097835.db2.gz GYHRDEWGBRZYHY-MFKMUULPSA-N 0 3 305.334 1.380 20 5 DDBDHN CC1(C)CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCN1 ZINC000591444527 355312729 /nfs/dbraw/zinc/31/27/29/355312729.db2.gz GKXDJQJWFRMGFN-UHFFFAOYSA-N 0 3 319.408 1.248 20 5 DDBDHN Cc1cc(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594079908 356107478 /nfs/dbraw/zinc/10/74/78/356107478.db2.gz CEFFMHRGQYYGQJ-QWHCGFSZSA-N 0 3 320.349 1.186 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCCC[C@H]1CO ZINC000594017222 356089233 /nfs/dbraw/zinc/08/92/33/356089233.db2.gz VQWCGWKJPHVLBY-UONOGXRCSA-N 0 3 324.377 1.571 20 5 DDBDHN NC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000594451209 356221887 /nfs/dbraw/zinc/22/18/87/356221887.db2.gz YUNIIPPZVLLCFL-QMMMGPOBSA-N 0 3 311.647 1.868 20 5 DDBDHN NC(=O)c1ccnc(N[C@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594596963 356260269 /nfs/dbraw/zinc/26/02/69/356260269.db2.gz BPNWVDFWHOWSND-NWDGAFQWSA-N 0 3 319.365 1.518 20 5 DDBDHN NC[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000594525996 356243451 /nfs/dbraw/zinc/24/34/51/356243451.db2.gz ZLKWVKLYBYULGT-SNVBAGLBSA-N 0 3 320.271 1.326 20 5 DDBDHN C[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000594815645 356326237 /nfs/dbraw/zinc/32/62/37/356326237.db2.gz AFFCFWUBZPHHQV-VIFPVBQESA-N 0 3 319.358 1.352 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CCCNC1=O ZINC000595050770 356376764 /nfs/dbraw/zinc/37/67/64/356376764.db2.gz KKZPUNSTTWVBOV-MNOVXSKESA-N 0 3 307.350 1.780 20 5 DDBDHN N[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595264299 356425373 /nfs/dbraw/zinc/42/53/73/356425373.db2.gz SXIBGWUDHHREPZ-CHWSQXEVSA-N 0 3 310.329 1.218 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](CO)C1CCC1 ZINC000595618257 356579978 /nfs/dbraw/zinc/57/99/78/356579978.db2.gz WYASGCORQUYWRO-LBPRGKRZSA-N 0 3 307.350 1.592 20 5 DDBDHN CC[C@@H](NC(=O)CNC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000236903810 202063272 /nfs/dbraw/zinc/06/32/72/202063272.db2.gz MJRDSJWCGKLZEL-HUUCEWRRSA-N 0 3 321.377 1.931 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@]2(O)C[C@H]2C1 ZINC000595756575 356638874 /nfs/dbraw/zinc/63/88/74/356638874.db2.gz INLVSUZANAVPJS-BLLLJJGKSA-N 0 3 319.361 1.689 20 5 DDBDHN COCCC[NH+]1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596105731 356773718 /nfs/dbraw/zinc/77/37/18/356773718.db2.gz XRCMKOINFIVGSA-UHFFFAOYSA-N 0 3 310.354 1.608 20 5 DDBDHN CN(C)[C@@]1(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCSC1 ZINC000596150534 356792210 /nfs/dbraw/zinc/79/22/10/356792210.db2.gz WPQRLWGMGMUCBC-CQSZACIVSA-N 0 3 324.406 1.543 20 5 DDBDHN CCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000598044188 357440710 /nfs/dbraw/zinc/44/07/10/357440710.db2.gz ZPPHRLJVXGRLSA-AWEZNQCLSA-N 0 3 321.377 1.916 20 5 DDBDHN CC[C@@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@H](C)N1 ZINC000598532406 357623258 /nfs/dbraw/zinc/62/32/58/357623258.db2.gz WWYCDWAORDPJMP-VHSXEESVSA-N 0 3 309.370 1.654 20 5 DDBDHN CC[C@@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@H](C)N1 ZINC000598532406 357623260 /nfs/dbraw/zinc/62/32/60/357623260.db2.gz WWYCDWAORDPJMP-VHSXEESVSA-N 0 3 309.370 1.654 20 5 DDBDHN CCOc1ccc([C@@H](C)NC[C@@H]2COCCN2C)cc1[N+](=O)[O-] ZINC000599080717 357808954 /nfs/dbraw/zinc/80/89/54/357808954.db2.gz QNDPCQBMRRAMLA-TZMCWYRMSA-N 0 3 323.393 1.975 20 5 DDBDHN COc1ccc([C@H](NCCn2ccc([N+](=O)[O-])n2)C2CC2)cn1 ZINC000599697937 358030733 /nfs/dbraw/zinc/03/07/33/358030733.db2.gz IYVYZHGQXWBIIU-OAHLLOKOSA-N 0 3 317.349 1.936 20 5 DDBDHN COC(=O)c1cnc(NCC2=CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000276696767 213051727 /nfs/dbraw/zinc/05/17/27/213051727.db2.gz HRSBGOOVDWQPFJ-UHFFFAOYSA-N 0 3 306.322 1.450 20 5 DDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCNC1=O ZINC000348101765 283368795 /nfs/dbraw/zinc/36/87/95/283368795.db2.gz KTXHESPETVJTEA-MFKMUULPSA-N 0 3 320.349 1.180 20 5 DDBDHN O=[N+]([O-])c1cc(F)cnc1NC1CCN([C@H]2CCOC2)CC1 ZINC000601130874 358415032 /nfs/dbraw/zinc/41/50/32/358415032.db2.gz CUWRSHFGIWUTAF-LBPRGKRZSA-N 0 3 310.329 1.794 20 5 DDBDHN Cc1c(CNC[C@H](O)C[C@](C)(O)C2CC2)cccc1[N+](=O)[O-] ZINC000601963599 358755070 /nfs/dbraw/zinc/75/50/70/358755070.db2.gz DYWDRYMLMCEFFW-ZBFHGGJFSA-N 0 3 308.378 1.905 20 5 DDBDHN CC[C@@H](NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000602563092 359046851 /nfs/dbraw/zinc/04/68/51/359046851.db2.gz FFXMOZQRVHIRRZ-OAHLLOKOSA-N 0 3 321.377 1.364 20 5 DDBDHN Cn1cc(CN2CCC3(CCC(O)CC3)CC2)c([N+](=O)[O-])n1 ZINC000602671590 359116981 /nfs/dbraw/zinc/11/69/81/359116981.db2.gz MAFDQKYUVRFDCO-UHFFFAOYSA-N 0 3 308.382 1.845 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](CO)c1ccccc1C ZINC000602807197 359204601 /nfs/dbraw/zinc/20/46/01/359204601.db2.gz QWDKCTKEJATOKN-AWEZNQCLSA-N 0 3 304.350 1.731 20 5 DDBDHN Cn1cc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c([N+](=O)[O-])n1 ZINC000602822352 359217021 /nfs/dbraw/zinc/21/70/21/359217021.db2.gz RUFPZLWNHUPWMO-YNEHKIRRSA-N 0 3 306.366 1.766 20 5 DDBDHN CO[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])[C@@](C)(CO)C1 ZINC000602963636 359326874 /nfs/dbraw/zinc/32/68/74/359326874.db2.gz HPSSJNDNLGQSAH-IUODEOHRSA-N 0 3 310.350 1.445 20 5 DDBDHN Cn1cc(CN2CCNC[C@H]2c2cccc(F)c2)c([N+](=O)[O-])n1 ZINC000603427133 359634349 /nfs/dbraw/zinc/63/43/49/359634349.db2.gz BIRGUBFQEZLJFO-AWEZNQCLSA-N 0 3 319.340 1.614 20 5 DDBDHN C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000237663613 202321116 /nfs/dbraw/zinc/32/11/16/202321116.db2.gz YYASXDMHZOJPSF-MNOVXSKESA-N 0 3 318.377 1.992 20 5 DDBDHN C[C@@H](O)CN1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000189572941 200424056 /nfs/dbraw/zinc/42/40/56/200424056.db2.gz OQOOYPUHRYIPNQ-ZIAGYGMSSA-N 0 3 307.394 1.524 20 5 DDBDHN CC[C@H](CN1CCCC1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000609878506 360360120 /nfs/dbraw/zinc/36/01/20/360360120.db2.gz WUXAVDLXFJQYRZ-CYBMUJFWSA-N 0 3 320.393 1.997 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN(CCO)CCc2ccccc2)n1 ZINC000610485240 360448879 /nfs/dbraw/zinc/44/88/79/360448879.db2.gz YKNSNWXNBKBKJB-UHFFFAOYSA-N 0 3 304.350 1.328 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000610712471 360512423 /nfs/dbraw/zinc/51/24/23/360512423.db2.gz BWNUIPZHLWDQTB-ZWNOBZJWSA-N 0 3 321.381 1.125 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N2CCCC[C@@H]2CN(C)C)c1[N+](=O)[O-] ZINC000610922098 360572348 /nfs/dbraw/zinc/57/23/48/360572348.db2.gz ANARYLPPRVJBAZ-LLVKDONJSA-N 0 3 323.397 1.998 20 5 DDBDHN CC(C)c1[nH]nc(C(=O)N2CCCC[C@@H]2CN(C)C)c1[N+](=O)[O-] ZINC000610922098 360572352 /nfs/dbraw/zinc/57/23/52/360572352.db2.gz ANARYLPPRVJBAZ-LLVKDONJSA-N 0 3 323.397 1.998 20 5 DDBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000610808455 360541949 /nfs/dbraw/zinc/54/19/49/360541949.db2.gz SOCHJZGXYXZZBC-LLVKDONJSA-N 0 3 324.406 1.399 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CNCCCN(C)S(C)(=O)=O ZINC000612607538 361079248 /nfs/dbraw/zinc/07/92/48/361079248.db2.gz PMUAMWAOBXFWBE-UHFFFAOYSA-N 0 3 315.395 1.274 20 5 DDBDHN CC[C@H](C)C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000093075647 193201234 /nfs/dbraw/zinc/20/12/34/193201234.db2.gz ZBMKMOTVSGNIIL-NSHDSACASA-N 0 3 315.395 1.509 20 5 DDBDHN O=[N+]([O-])c1ccccc1CNCCC1CCS(=O)(=O)CC1 ZINC000350767821 284258116 /nfs/dbraw/zinc/25/81/16/284258116.db2.gz OCCKWLXSYTWGLJ-UHFFFAOYSA-N 0 3 312.391 1.899 20 5 DDBDHN CCOC(=O)[C@H](C)[C@@H](C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000274889850 212012436 /nfs/dbraw/zinc/01/24/36/212012436.db2.gz JEEWLVYOPVNILK-GYSYKLTISA-N 0 3 310.350 1.806 20 5 DDBDHN C[C@H](c1ccc(F)cc1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266416825 205331558 /nfs/dbraw/zinc/33/15/58/205331558.db2.gz HORHLHQYLUZQQV-ABAIWWIYSA-N 0 3 322.340 1.984 20 5 DDBDHN COCCN(CCN(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000104970143 194059952 /nfs/dbraw/zinc/05/99/52/194059952.db2.gz ZWWXENQXXBJRTO-UHFFFAOYSA-N 0 3 324.381 1.945 20 5 DDBDHN COC(=O)C1CCN(CCCNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000338994390 250237996 /nfs/dbraw/zinc/23/79/96/250237996.db2.gz DUEPKDXLXKMGMA-UHFFFAOYSA-N 0 3 322.365 1.677 20 5 DDBDHN CO[C@H]1C[C@@H](N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000285244895 218349455 /nfs/dbraw/zinc/34/94/55/218349455.db2.gz CARKFRSAMJYRSB-UPJWGTAASA-N 0 3 310.350 1.444 20 5 DDBDHN CS[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H]1N(C)C ZINC000340732383 251182026 /nfs/dbraw/zinc/18/20/26/251182026.db2.gz ACMHUUOGKDEPLM-ZJUUUORDSA-N 0 3 322.394 1.119 20 5 DDBDHN COCCN(C)CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413118435 224137689 /nfs/dbraw/zinc/13/76/89/224137689.db2.gz UHIYOPGFVZKXGO-UHFFFAOYSA-N 0 3 322.287 1.999 20 5 DDBDHN Cc1ccc(CN[C@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000295035219 224392737 /nfs/dbraw/zinc/39/27/37/224392737.db2.gz DMOOQPKSAURVRD-HNNXBMFYSA-N 0 3 307.394 1.840 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@](C)(CO)C(C)C ZINC000352893058 285367187 /nfs/dbraw/zinc/36/71/87/285367187.db2.gz NNZINIIEZMEYJC-OAHLLOKOSA-N 0 3 309.366 1.838 20 5 DDBDHN CN1CCC(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000124265427 195621849 /nfs/dbraw/zinc/62/18/49/195621849.db2.gz GHYIQOCYWLQZBR-UHFFFAOYSA-N 0 3 316.361 1.829 20 5 DDBDHN Cc1n[nH]c(C(=O)N[C@@H](CC(C)C)CN2CCCC2)c1[N+](=O)[O-] ZINC000295302989 533667215 /nfs/dbraw/zinc/66/72/15/533667215.db2.gz BDMBKCLUTCWNSD-LBPRGKRZSA-N 0 3 323.397 1.867 20 5 DDBDHN COC(=O)COc1ccc(CN[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000353224815 285609680 /nfs/dbraw/zinc/60/96/80/285609680.db2.gz MGFVFPNMZBHQRI-LLVKDONJSA-N 0 3 310.306 1.025 20 5 DDBDHN COC(=O)COc1ccc(CN[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000353242522 285619050 /nfs/dbraw/zinc/61/90/50/285619050.db2.gz ZDGFRAWAGDPASS-JTQLQIEISA-N 0 3 312.322 1.007 20 5 DDBDHN NC[C@H]1c2ccccc2CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000579717071 422821741 /nfs/dbraw/zinc/82/17/41/422821741.db2.gz XXLDMHWMRPDXCO-NSHDSACASA-N 0 3 301.306 1.016 20 5 DDBDHN CC(COC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000497001608 307374931 /nfs/dbraw/zinc/37/49/31/307374931.db2.gz JTDXNNKYFCRUJS-WDEREUQCSA-N 0 3 316.354 1.984 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCc3ccc(F)cc32)c1 ZINC000570082309 304394629 /nfs/dbraw/zinc/39/46/29/304394629.db2.gz ICUJXNOZFGMHOY-HIFRSBDPSA-N 0 3 320.324 1.568 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN2CCCC2)c1 ZINC000103115819 407331124 /nfs/dbraw/zinc/33/11/24/407331124.db2.gz BBDZOZDNPURUKA-UHFFFAOYSA-N 0 3 307.350 1.771 20 5 DDBDHN CCCc1n[nH]c(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000127863305 407471884 /nfs/dbraw/zinc/47/18/84/407471884.db2.gz GJQNSQADNRSFSJ-MNOVXSKESA-N 0 3 323.397 1.825 20 5 DDBDHN CCCc1[nH]nc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000127863305 407471887 /nfs/dbraw/zinc/47/18/87/407471887.db2.gz GJQNSQADNRSFSJ-MNOVXSKESA-N 0 3 323.397 1.825 20 5 DDBDHN CN1CCC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185774902 407500379 /nfs/dbraw/zinc/50/03/79/407500379.db2.gz SLAFDLLXCGXMLA-NSHDSACASA-N 0 3 313.379 1.215 20 5 DDBDHN NC(=O)CCC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000270991145 407456329 /nfs/dbraw/zinc/45/63/29/407456329.db2.gz BKKITAYWJJLCLD-UHFFFAOYSA-N 0 3 321.377 1.951 20 5 DDBDHN C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000114140985 407544972 /nfs/dbraw/zinc/54/49/72/407544972.db2.gz JXTPSNHKTDHTHQ-ZDUSSCGKSA-N 0 3 320.393 1.208 20 5 DDBDHN C[C@H]1OCC[C@@]1(O)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000227967163 407642721 /nfs/dbraw/zinc/64/27/21/407642721.db2.gz YPDSZAHGVXLCRD-NOZJJQNGSA-N 0 3 300.742 1.878 20 5 DDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]C1CCCC1 ZINC000116922606 407798886 /nfs/dbraw/zinc/79/88/86/407798886.db2.gz GMFZTLOCBIAMQK-UHFFFAOYSA-N 0 3 313.379 1.405 20 5 DDBDHN O=C([C@H]1CCCCN1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237996244 407865554 /nfs/dbraw/zinc/86/55/54/407865554.db2.gz BQPQJGUJESNJLC-OAHLLOKOSA-N 0 3 318.377 1.386 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000268135975 407907416 /nfs/dbraw/zinc/90/74/16/407907416.db2.gz CIGUGXFLKUAGKB-RNCFNFMXSA-N 0 3 304.350 1.390 20 5 DDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000121239746 408168180 /nfs/dbraw/zinc/16/81/80/408168180.db2.gz KRXSLTVHWKYVIE-OLZOCXBDSA-N 0 3 321.377 1.772 20 5 DDBDHN CC[C@@H](C)NC(=O)CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000121456472 408216322 /nfs/dbraw/zinc/21/63/22/408216322.db2.gz NCKHCBNXOPJDID-LLVKDONJSA-N 0 3 309.366 1.998 20 5 DDBDHN CC(=O)NCC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269666823 408384873 /nfs/dbraw/zinc/38/48/73/408384873.db2.gz MAXCLLKMVMXSEC-INIZCTEOSA-N 0 3 321.377 1.476 20 5 DDBDHN COC[C@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000183447289 408413564 /nfs/dbraw/zinc/41/35/64/408413564.db2.gz OLVSKYWDSNUXJG-AWEZNQCLSA-N 0 3 307.350 1.856 20 5 DDBDHN Cc1cc(C(=O)NCC2CCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000160630999 408506202 /nfs/dbraw/zinc/50/62/02/408506202.db2.gz GMLXYWPUCHOPHF-UHFFFAOYSA-N 0 3 321.377 1.337 20 5 DDBDHN CCN(CCO)CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000183952697 408517996 /nfs/dbraw/zinc/51/79/96/408517996.db2.gz OSAGBQAFIAUWSK-UHFFFAOYSA-N 0 3 323.393 1.564 20 5 DDBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000247390009 408462073 /nfs/dbraw/zinc/46/20/73/408462073.db2.gz QIDCXTLBTPEKTI-TZMCWYRMSA-N 0 3 305.378 1.982 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000247382256 408463037 /nfs/dbraw/zinc/46/30/37/408463037.db2.gz LMOXTLVGWZTGPC-QMTHXVAHSA-N 0 3 306.366 1.710 20 5 DDBDHN CC1(C)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000275543106 408595879 /nfs/dbraw/zinc/59/58/79/408595879.db2.gz ZFKCGJCLFBREOE-WFASDCNBSA-N 0 3 324.377 1.427 20 5 DDBDHN CN(CCN(C)C1CC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000185282293 408791255 /nfs/dbraw/zinc/79/12/55/408791255.db2.gz GIVDQGOSDFMJNS-UHFFFAOYSA-N 0 3 306.366 1.830 20 5 DDBDHN O=C(CCN(CCO)C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185182207 408776531 /nfs/dbraw/zinc/77/65/31/408776531.db2.gz PLEWKHZPVLMNFB-UHFFFAOYSA-N 0 3 311.313 1.519 20 5 DDBDHN CO[C@H](C)[C@H](C)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000191715159 163199373 /nfs/dbraw/zinc/19/93/73/163199373.db2.gz DUVLAODOPVRKNJ-MISXGVKJSA-N 0 3 307.350 1.713 20 5 DDBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000286338146 408966496 /nfs/dbraw/zinc/96/64/96/408966496.db2.gz KBFLYNAWHWAEDT-KBPBESRZSA-N 0 3 320.393 1.988 20 5 DDBDHN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c(CN(C)C)c1 ZINC000285439819 409446833 /nfs/dbraw/zinc/44/68/33/409446833.db2.gz IFYMIJMQWHSNLS-UHFFFAOYSA-N 0 3 303.322 1.940 20 5 DDBDHN CNc1c(C(=O)N(C)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000317536865 164028351 /nfs/dbraw/zinc/02/83/51/164028351.db2.gz ANSLVRHTTJQJIL-UHFFFAOYSA-N 0 3 306.366 1.803 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC2(CCO2)CC1 ZINC000374376927 164172566 /nfs/dbraw/zinc/17/25/66/164172566.db2.gz HHZVADFERPXCOA-ZDUSSCGKSA-N 0 3 322.361 1.589 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C[C@@H]21 ZINC000408468100 164341373 /nfs/dbraw/zinc/34/13/73/164341373.db2.gz PXTXPFYWSKFFBI-RISCZKNCSA-N 0 3 314.345 1.852 20 5 DDBDHN CCN1CCCC[C@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290704112 409492318 /nfs/dbraw/zinc/49/23/18/409492318.db2.gz WJXJMSMPFAAKNB-JTQLQIEISA-N 0 3 307.354 1.375 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)n1 ZINC000331520393 409593616 /nfs/dbraw/zinc/59/36/16/409593616.db2.gz FTFHCPNPHRYGIW-VXGBXAGGSA-N 0 3 321.381 1.510 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCc3c2cccc3O)c1 ZINC000296962545 409729271 /nfs/dbraw/zinc/72/92/71/409729271.db2.gz YIRUTSBKPVIQOW-BXUZGUMPSA-N 0 3 318.333 1.135 20 5 DDBDHN CCOc1cc(CNCCn2cc([N+](=O)[O-])cn2)ccc1O ZINC000297716564 409972971 /nfs/dbraw/zinc/97/29/71/409972971.db2.gz RKOWGMUCBWKZKR-UHFFFAOYSA-N 0 3 306.322 1.685 20 5 DDBDHN CN(C)[C@@]1(CNc2cccc(C(N)=O)c2[N+](=O)[O-])CCSC1 ZINC000342825844 409928767 /nfs/dbraw/zinc/92/87/67/409928767.db2.gz QQOVMZHINSDTBZ-CQSZACIVSA-N 0 3 324.406 1.543 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000357457082 410050954 /nfs/dbraw/zinc/05/09/54/410050954.db2.gz VAALKWLSJYAIDC-KBPBESRZSA-N 0 3 306.366 1.417 20 5 DDBDHN COc1ccc(CN2CCO[C@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000332321988 410066533 /nfs/dbraw/zinc/06/65/33/410066533.db2.gz RORRSKDNHWUOAB-HOCLYGCPSA-N 0 3 321.377 1.508 20 5 DDBDHN C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N(C)C ZINC000298301482 410170408 /nfs/dbraw/zinc/17/04/08/410170408.db2.gz BOXVCDSCJAEBRM-SECBINFHSA-N 0 3 309.322 1.046 20 5 DDBDHN CC[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)N1CCCC1 ZINC000298456007 410236769 /nfs/dbraw/zinc/23/67/69/410236769.db2.gz JKYFIGRERBHTAV-JTQLQIEISA-N 0 3 307.354 1.375 20 5 DDBDHN CN1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000298687212 410346440 /nfs/dbraw/zinc/34/64/40/410346440.db2.gz WIBSWBRYXNWDLL-UHFFFAOYSA-N 0 3 317.349 1.782 20 5 DDBDHN CN1CC[C@@](O)(CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000358361129 410453455 /nfs/dbraw/zinc/45/34/55/410453455.db2.gz WGNGXKOOUJGUDA-OAHLLOKOSA-N 0 3 302.334 1.622 20 5 DDBDHN CCCN1CCC[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000343583282 410553398 /nfs/dbraw/zinc/55/33/98/410553398.db2.gz YGRYMVDBIFJLKQ-CYBMUJFWSA-N 0 3 321.377 1.964 20 5 DDBDHN CN1CCC[C@@H](N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000301310488 410695102 /nfs/dbraw/zinc/69/51/02/410695102.db2.gz ZRFOBRKCJCYHBM-CQSZACIVSA-N 0 3 304.394 1.811 20 5 DDBDHN C[C@@H]1CCN(C)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340296754 410835250 /nfs/dbraw/zinc/83/52/50/410835250.db2.gz FZKXDSNZLRYZSP-CYBMUJFWSA-N 0 3 320.393 1.873 20 5 DDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C2CC2)C1 ZINC000341172772 410914160 /nfs/dbraw/zinc/91/41/60/410914160.db2.gz CKOAHZRXMCVRHE-ZDUSSCGKSA-N 0 3 318.377 1.673 20 5 DDBDHN Cc1cc(OCC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000331201531 411014106 /nfs/dbraw/zinc/01/41/06/411014106.db2.gz QJKPRYYDDORZGF-QWHCGFSZSA-N 0 3 321.377 1.881 20 5 DDBDHN C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1CCO ZINC000419336573 226122565 /nfs/dbraw/zinc/12/25/65/226122565.db2.gz XHRUDGNGMWGPDC-KBPBESRZSA-N 0 3 307.394 1.524 20 5 DDBDHN COC(=O)[C@@H]1CCCCCC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000360486055 418446735 /nfs/dbraw/zinc/44/67/35/418446735.db2.gz VNAHHKCNJWEYHE-NEPJUHHUSA-N 0 3 324.381 1.930 20 5 DDBDHN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1[C@H]1CCCO1 ZINC000367724744 418627358 /nfs/dbraw/zinc/62/73/58/418627358.db2.gz HFQBKASWMWDLAD-BFHYXJOUSA-N 0 3 324.381 1.042 20 5 DDBDHN C[C@@H]1[C@H](CO)CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000412079787 419633686 /nfs/dbraw/zinc/63/36/86/419633686.db2.gz NATDXKPYNVKAED-VNHYZAJKSA-N 0 3 324.377 1.427 20 5 DDBDHN CN(C[C@H]1CCCN1C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000421701038 419689183 /nfs/dbraw/zinc/68/91/83/419689183.db2.gz GRSJOKXTLBVZDW-LLVKDONJSA-N 0 3 309.370 1.079 20 5 DDBDHN CN(C)CCN(Cc1ccccn1)c1ccc([N+](=O)[O-])cn1 ZINC000433420182 229206968 /nfs/dbraw/zinc/20/69/68/229206968.db2.gz JDUGJMZKJMSPQJ-UHFFFAOYSA-N 0 3 301.350 1.953 20 5 DDBDHN Cc1ccc(NCCCNC(=O)[C@H](N)C2CCC2)c([N+](=O)[O-])c1 ZINC000423213970 419987244 /nfs/dbraw/zinc/98/72/44/419987244.db2.gz KVCXUKNKTQRHFC-OAHLLOKOSA-N 0 3 320.393 1.949 20 5 DDBDHN CN(C)C1(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000418998185 420041058 /nfs/dbraw/zinc/04/10/58/420041058.db2.gz HECSFRAWSGPXQV-UHFFFAOYSA-N 0 3 318.377 1.993 20 5 DDBDHN COCCNCCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415635547 420130555 /nfs/dbraw/zinc/13/05/55/420130555.db2.gz UXPXQEBDHYUOFN-UHFFFAOYSA-N 0 3 300.290 1.091 20 5 DDBDHN COc1ccc(NC(=O)N2C[C@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000415447885 420071090 /nfs/dbraw/zinc/07/10/90/420071090.db2.gz URDQMEWZWQIGLN-UWVGGRQHSA-N 0 3 308.338 1.818 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)[C@@H](C)[NH3+])c1C ZINC000420450660 420296646 /nfs/dbraw/zinc/29/66/46/420296646.db2.gz YOUBATWYVUFSCT-NXEZZACHSA-N 0 3 301.368 1.226 20 5 DDBDHN Cc1ccc(S(=O)(=O)NC[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000416498436 420394819 /nfs/dbraw/zinc/39/48/19/420394819.db2.gz XHHJLIYHAAYOQX-LLVKDONJSA-N 0 3 313.379 1.133 20 5 DDBDHN CNC(=O)c1ccc(N(C)[C@H]2CCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000450947099 420567125 /nfs/dbraw/zinc/56/71/25/420567125.db2.gz BALUAASOQXGORI-ZDUSSCGKSA-N 0 3 320.393 1.873 20 5 DDBDHN CNc1nc(C(=O)NC(C)(C)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000457043715 420595163 /nfs/dbraw/zinc/59/51/63/420595163.db2.gz WUVHTRLXEGFZTH-UHFFFAOYSA-N 0 3 321.381 1.636 20 5 DDBDHN CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000454379539 420849968 /nfs/dbraw/zinc/84/99/68/420849968.db2.gz UEPHJVQZAOODJS-UHFFFAOYSA-N 0 3 307.354 1.246 20 5 DDBDHN CNc1nc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000455657473 421050284 /nfs/dbraw/zinc/05/02/84/421050284.db2.gz MFEZJUZEXLUVAZ-MNOVXSKESA-N 0 3 319.365 1.340 20 5 DDBDHN CCc1ccc(C(=O)N[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000449664701 421053222 /nfs/dbraw/zinc/05/32/22/421053222.db2.gz LPJIEGGGOPEFNN-LBPRGKRZSA-N 0 3 313.304 1.884 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1 ZINC000449430235 421010334 /nfs/dbraw/zinc/01/03/34/421010334.db2.gz BVOPQTGUJLKBIW-BMFZPTHFSA-N 0 3 306.362 1.957 20 5 DDBDHN CNc1ccc(C(=O)NCCN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000524720577 421268046 /nfs/dbraw/zinc/26/80/46/421268046.db2.gz YRCCZXZAQNUHRW-LLVKDONJSA-N 0 3 306.366 1.708 20 5 DDBDHN CC(COC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000497144584 421372006 /nfs/dbraw/zinc/37/20/06/421372006.db2.gz JTDXNNKYFCRUJS-MNOVXSKESA-N 0 3 316.354 1.984 20 5 DDBDHN COc1ccc(CC(=O)N(C)CCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000548113393 421402137 /nfs/dbraw/zinc/40/21/37/421402137.db2.gz RTXYYHWVFOXTCD-UHFFFAOYSA-N 0 3 321.377 1.699 20 5 DDBDHN CC(C)(CNC(=O)c1ccnc(N)c1[N+](=O)[O-])N1CCCCC1 ZINC000548712815 421465422 /nfs/dbraw/zinc/46/54/22/421465422.db2.gz YJJVIMKXGDELOF-UHFFFAOYSA-N 0 3 321.381 1.566 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000515294554 421490027 /nfs/dbraw/zinc/49/00/27/421490027.db2.gz ZUWMWKRPIPYEPY-XHDPSFHLSA-N 0 3 319.361 1.770 20 5 DDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000571483234 421719439 /nfs/dbraw/zinc/71/94/39/421719439.db2.gz PLOMAHSVRCVPAZ-MRXNPFEDSA-N 0 3 319.361 1.090 20 5 DDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000575933692 422350344 /nfs/dbraw/zinc/35/03/44/422350344.db2.gz SJKRPOPHRIBXLV-WDEREUQCSA-N 0 3 319.365 1.271 20 5 DDBDHN Nc1ccc(NCCN2CCc3ccccc3C2)nc1[N+](=O)[O-] ZINC000596072665 422362203 /nfs/dbraw/zinc/36/22/03/422362203.db2.gz FCZYUKFQSZDZTG-UHFFFAOYSA-N 0 3 313.361 2.042 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CCCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000345647873 272295171 /nfs/dbraw/zinc/29/51/71/272295171.db2.gz OJWPROFQYULHDG-UHFFFAOYSA-N 0 3 309.370 1.437 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CCCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000345647873 272295173 /nfs/dbraw/zinc/29/51/73/272295173.db2.gz OJWPROFQYULHDG-UHFFFAOYSA-N 0 3 309.370 1.437 20 5 DDBDHN COc1cccc(C(=O)NC[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000195442326 278007870 /nfs/dbraw/zinc/00/78/70/278007870.db2.gz PDISVDSMHZSCCF-LLVKDONJSA-N 0 3 319.361 1.818 20 5 DDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)N(C)C1CC1 ZINC000057716081 278281543 /nfs/dbraw/zinc/28/15/43/278281543.db2.gz DJPKKWJZXHLVKP-NSHDSACASA-N 0 3 320.393 1.873 20 5 DDBDHN C[C@H](CN)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000237616059 298532264 /nfs/dbraw/zinc/53/22/64/298532264.db2.gz WWGXITIYTIMJLQ-CYBMUJFWSA-N 0 3 323.396 1.960 20 5 DDBDHN CC(C)C[C@H](N)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000574201003 304639034 /nfs/dbraw/zinc/63/90/34/304639034.db2.gz XSRZFBJFDZQLQJ-LBPRGKRZSA-N 0 3 309.370 1.328 20 5 DDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])s1 ZINC000363692487 300296970 /nfs/dbraw/zinc/29/69/70/300296970.db2.gz MRNJLXFDICYABA-ZJUUUORDSA-N 0 3 311.363 1.249 20 5 DDBDHN C[C@H](CN1CCOCC1)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019287 301119857 /nfs/dbraw/zinc/11/98/57/301119857.db2.gz XLGWVRMUWQDWJT-KGLIPLIRSA-N 0 3 323.397 1.149 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]3OCC[C@H]32)c1 ZINC000369788479 301225370 /nfs/dbraw/zinc/22/53/70/301225370.db2.gz SKCUFFRRNVNHBM-FVQBIDKESA-N 0 3 322.361 1.588 20 5 DDBDHN NC(=O)c1ccc(CN[C@@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000372810275 301617475 /nfs/dbraw/zinc/61/74/75/301617475.db2.gz PBVVIWYAFSAWSJ-OCCSQVGLSA-N 0 3 305.334 1.351 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](Oc3ccccc3)C2)n1 ZINC000377967923 302258931 /nfs/dbraw/zinc/25/89/31/302258931.db2.gz SFUOPOIIBMYPHT-CQSZACIVSA-N 0 3 302.334 1.945 20 5 DDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)N1CCC[C@H](C)C1 ZINC000532134266 303276363 /nfs/dbraw/zinc/27/63/63/303276363.db2.gz VLVVJCLGMXDMNM-RYUDHWBXSA-N 0 3 306.366 1.840 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000361854982 307009145 /nfs/dbraw/zinc/00/91/45/307009145.db2.gz MWMIWJBCSQSZPP-HNNXBMFYSA-N 0 3 322.365 1.400 20 5 DDBDHN Cc1ccc(CN2CCCN([C@@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000364973907 307055581 /nfs/dbraw/zinc/05/55/81/307055581.db2.gz NNDRYDBWCUCALX-AWEZNQCLSA-N 0 3 307.394 1.792 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000367126290 307086613 /nfs/dbraw/zinc/08/66/13/307086613.db2.gz LTCLFFJDFREXNC-MNOVXSKESA-N 0 3 320.349 1.313 20 5 DDBDHN Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c(=O)[n-]1 ZINC000367126290 307086614 /nfs/dbraw/zinc/08/66/14/307086614.db2.gz LTCLFFJDFREXNC-MNOVXSKESA-N 0 3 320.349 1.313 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](Cc3ccncc3)C2)n1 ZINC000368632507 307106650 /nfs/dbraw/zinc/10/66/50/307106650.db2.gz NHEJXEFCZAXYGV-CQSZACIVSA-N 0 3 301.350 1.751 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCCN([C@H](C)CO)CC1 ZINC000373973118 307198812 /nfs/dbraw/zinc/19/88/12/307198812.db2.gz BBAQTIDEPAXKDX-CYBMUJFWSA-N 0 3 323.393 1.492 20 5 DDBDHN CN(C)CCN1CCCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000376217618 307240653 /nfs/dbraw/zinc/24/06/53/307240653.db2.gz FNOBUIJDAOAVPZ-UHFFFAOYSA-N 0 3 307.398 1.251 20 5 DDBDHN C[C@@H]1[C@H](CO)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000488728932 484215495 /nfs/dbraw/zinc/21/54/95/484215495.db2.gz IVLIYSNHWQLVRT-DYEKYZERSA-N 0 3 310.350 1.037 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCCS(C)(=O)=O ZINC000540192248 484309573 /nfs/dbraw/zinc/30/95/73/484309573.db2.gz BAFXQTHWSYGNTI-LLVKDONJSA-N 0 3 300.380 1.989 20 5 DDBDHN CCN1CC[C@@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000357540311 484509754 /nfs/dbraw/zinc/50/97/54/484509754.db2.gz XBOUCIATZSDQAZ-WDEREUQCSA-N 0 3 321.381 1.398 20 5 DDBDHN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1N(C)C ZINC000332645747 533970477 /nfs/dbraw/zinc/97/04/77/533970477.db2.gz LHPXRXDDYHCSNC-DTWKUNHWSA-N 0 3 319.408 1.227 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCSC[C@@H]1C1CCC1 ZINC000419376548 534321540 /nfs/dbraw/zinc/32/15/40/534321540.db2.gz SDKSMQDYNPGRER-CQSZACIVSA-N 0 3 323.418 1.974 20 5 DDBDHN CC[C@@H](NC[C@H](O)COCCOC)c1cccc([N+](=O)[O-])c1 ZINC000295006340 529178548 /nfs/dbraw/zinc/17/85/48/529178548.db2.gz OTMDUFWOXRYANU-LSDHHAIUSA-N 0 3 312.366 1.659 20 5 DDBDHN CC(C)[N@H+](C)CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735857767 598498914 /nfs/dbraw/zinc/49/89/14/598498914.db2.gz YRIHOOPCSZFUAZ-UHFFFAOYSA-N 0 3 320.357 1.312 20 5 DDBDHN CC(C)[N@@H+](C)CCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735857767 598498916 /nfs/dbraw/zinc/49/89/16/598498916.db2.gz YRIHOOPCSZFUAZ-UHFFFAOYSA-N 0 3 320.357 1.312 20 5 DDBDHN CC(C)[N@H+](C)CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735857767 598498917 /nfs/dbraw/zinc/49/89/17/598498917.db2.gz YRIHOOPCSZFUAZ-UHFFFAOYSA-N 0 3 320.357 1.312 20 5 DDBDHN CC(C)[N@@H+](C)CCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735857767 598498919 /nfs/dbraw/zinc/49/89/19/598498919.db2.gz YRIHOOPCSZFUAZ-UHFFFAOYSA-N 0 3 320.357 1.312 20 5 DDBDHN C[C@H]1OCC[C@@]1(O)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000227145457 697768928 /nfs/dbraw/zinc/76/89/28/697768928.db2.gz HRPFRCOQOSCAJW-NOZJJQNGSA-N 0 3 300.742 1.878 20 5 DDBDHN COC(=O)[C@H](C)CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000246354025 698348234 /nfs/dbraw/zinc/34/82/34/698348234.db2.gz WOEMMHMHEKODFY-IAQYHMDHSA-N 0 3 322.361 1.902 20 5 DDBDHN Cc1c(CNC(=S)NC2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000790333512 699454326 /nfs/dbraw/zinc/45/43/26/699454326.db2.gz LHEBWCBSVBEUQI-UHFFFAOYSA-N 0 3 322.434 1.962 20 5 DDBDHN C[C@@H]1OCC[C@H]1N(CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796575368 699939821 /nfs/dbraw/zinc/93/98/21/699939821.db2.gz OILNKEAFOLEXGZ-GLQYFDAESA-N 0 3 310.350 1.100 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N2CCCN(C[C@@H]3CCCO3)CC2)n1 ZINC000765461398 701013888 /nfs/dbraw/zinc/01/38/88/701013888.db2.gz ABMLHTWCGHEQGL-AWEZNQCLSA-N 0 3 320.393 1.989 20 5 DDBDHN CC[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000839726120 701799072 /nfs/dbraw/zinc/79/90/72/701799072.db2.gz MQUNQWXRHKLCGR-ARFHVFGLSA-N 0 3 317.389 1.775 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N2CCC(N3CCN(C)CC3)CC2)n1 ZINC000866211966 706650386 /nfs/dbraw/zinc/65/03/86/706650386.db2.gz HGQVBYXNGXUPGS-UHFFFAOYSA-N 0 3 319.409 1.514 20 5 DDBDHN CCCCC(=O)N1CSC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104029 702292273 /nfs/dbraw/zinc/29/22/73/702292273.db2.gz JCIGVXNRVZFWQM-NXEZZACHSA-N 0 3 304.368 1.287 20 5 DDBDHN CC(=O)N(CCc1ccccc1)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813107241 702294034 /nfs/dbraw/zinc/29/40/34/702294034.db2.gz NLVXFFPVDVZNKK-LBPRGKRZSA-N 0 3 308.334 1.286 20 5 DDBDHN Cc1cnn(-c2c(C(=O)OCC(C)[N+](=O)[O-])c(C)nn2C)c1 ZINC000813108749 702295257 /nfs/dbraw/zinc/29/52/57/702295257.db2.gz LJLZXKDFPORATA-VIFPVBQESA-N 0 3 307.310 1.045 20 5 DDBDHN CC(COC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)[N+](=O)[O-] ZINC000813109821 702296333 /nfs/dbraw/zinc/29/63/33/702296333.db2.gz WQUPMDFXUJYGAV-ZJUUUORDSA-N 0 3 310.281 1.387 20 5 DDBDHN CC(COC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[N+](=O)[O-] ZINC000813109914 702296512 /nfs/dbraw/zinc/29/65/12/702296512.db2.gz XLLPUXACMRASMJ-SSDOTTSWSA-N 0 3 312.234 1.188 20 5 DDBDHN CC(COC(=O)[C@@H](C)NC(=O)CC1CCCCC1)[N+](=O)[O-] ZINC000813114744 702299198 /nfs/dbraw/zinc/29/91/98/702299198.db2.gz VZSPCCAUHXZKSR-WDEREUQCSA-N 0 3 300.355 1.670 20 5 DDBDHN CC(COC(=O)C[C@@H](C)n1cc(Br)cn1)[N+](=O)[O-] ZINC000842802338 702776347 /nfs/dbraw/zinc/77/63/47/702776347.db2.gz VQYLRCOGKLTFMM-SFYZADRCSA-N 0 3 320.143 1.805 20 5 DDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CCN[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000843473190 702888711 /nfs/dbraw/zinc/88/87/11/702888711.db2.gz IOAHMRQRIDDVGI-NXEZZACHSA-N 0 3 322.321 1.634 20 5 DDBDHN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC(=O)N(C)C1 ZINC000846921253 703352109 /nfs/dbraw/zinc/35/21/09/703352109.db2.gz REWZLMBIIVVDEW-ZIAGYGMSSA-N 0 3 307.350 1.181 20 5 DDBDHN CC(COC(=O)[C@@]1(C(=O)OC(C)(C)C)CC1(C)C)[N+](=O)[O-] ZINC000851037342 703774990 /nfs/dbraw/zinc/77/49/90/703774990.db2.gz UALVIPOAMKKCGC-YMTOWFKASA-N 0 3 301.339 1.953 20 5 DDBDHN Cc1c(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)cccc1[N+](=O)[O-] ZINC000869785787 703853348 /nfs/dbraw/zinc/85/33/48/703853348.db2.gz FBASJYFUJPJZMA-LBPRGKRZSA-N 0 3 321.377 1.478 20 5 DDBDHN CC(COC(=O)[C@H]1c2ccccc2C(=O)OC1(C)C)[N+](=O)[O-] ZINC000870378469 704015504 /nfs/dbraw/zinc/01/55/04/704015504.db2.gz XFHXDFZFGCOXDA-BXKDBHETSA-N 0 3 307.302 1.928 20 5 DDBDHN C[NH2+]C[C@H](C)[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765010 704621984 /nfs/dbraw/zinc/62/19/84/704621984.db2.gz HZXCRTZGUZUKMR-QMMMGPOBSA-N 0 3 303.265 1.291 20 5 DDBDHN CN1CCN(CC2CN(c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000858612204 704734593 /nfs/dbraw/zinc/73/45/93/704734593.db2.gz ZQIJROPIZAYRBK-UHFFFAOYSA-N 0 3 324.812 1.932 20 5 DDBDHN CC(COC(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000860777155 705280181 /nfs/dbraw/zinc/28/01/81/705280181.db2.gz LIVASDCLDZCSPD-ONGXEEELSA-N 0 3 314.338 1.808 20 5 DDBDHN CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@@H]1CN2CCC1CC2 ZINC000865713685 706503956 /nfs/dbraw/zinc/50/39/56/706503956.db2.gz SSQOQWWSUMISJT-CQSZACIVSA-N 0 3 321.352 1.829 20 5 DDBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCN2CCC1CC2 ZINC000867697094 707077570 /nfs/dbraw/zinc/07/75/70/707077570.db2.gz BCADJDYCSFIXNG-UHFFFAOYSA-N 0 3 307.325 1.583 20 5 DDBDHN COC[C@H](C)OC[C@@H](O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000872230948 707339787 /nfs/dbraw/zinc/33/97/87/707339787.db2.gz ASBARUGRHANRIS-JSGCOSHPSA-N 0 3 312.366 1.405 20 5 DDBDHN COc1cc(C(=O)N[C@]2(C)CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000892786257 710498137 /nfs/dbraw/zinc/49/81/37/710498137.db2.gz RRASMCXQPKHHNY-MRXNPFEDSA-N 0 3 319.361 1.818 20 5 DDBDHN COc1cc([C@@H](C)NC[C@H]2CCCNC2=O)cc([N+](=O)[O-])c1 ZINC000903184472 711058110 /nfs/dbraw/zinc/05/81/10/711058110.db2.gz CJGQZRNOMQEKHF-GHMZBOCLSA-N 0 3 307.350 1.780 20 5 DDBDHN CCN1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000894406204 711106196 /nfs/dbraw/zinc/10/61/96/711106196.db2.gz OFHAQVJXUYSNKC-NSHDSACASA-N 0 3 309.366 1.835 20 5 DDBDHN O=C1N(CCNCc2ccc([N+](=O)[O-])cc2)C[C@H]2CCCCN12 ZINC000895343278 711489879 /nfs/dbraw/zinc/48/98/79/711489879.db2.gz PSYSBIMPCDWZKD-OAHLLOKOSA-N 0 3 318.377 1.975 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2nc(C(F)(F)F)n3c2CNCC3)cn1 ZINC000904799847 711893787 /nfs/dbraw/zinc/89/37/87/711893787.db2.gz SBVKEKWSWPAUON-UHFFFAOYSA-N 0 3 313.239 1.975 20 5 DDBDHN CCOc1ccc(NC(=O)CN[C@@H](CC)CO)c([N+](=O)[O-])c1 ZINC000916570826 713458447 /nfs/dbraw/zinc/45/84/47/713458447.db2.gz WUIIMEPUPINAIV-JTQLQIEISA-N 0 3 311.338 1.293 20 5 DDBDHN COc1cccc([C@@H]2[C@H](NCC[N+](=O)[O-])CCN2C2CC2)c1 ZINC000930353778 713812198 /nfs/dbraw/zinc/81/21/98/713812198.db2.gz KGWLYTVHIBTOOE-HZPDHXFCSA-N 0 3 305.378 1.839 20 5 DDBDHN COc1ccc(NC(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000930770129 713915996 /nfs/dbraw/zinc/91/59/96/713915996.db2.gz VUFUOCDWENYWIM-GXFFZTMASA-N 0 3 320.349 1.771 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cccc(=O)[nH]1 ZINC001125292691 732430310 /nfs/dbraw/zinc/43/03/10/732430310.db2.gz UFBKKFFMSACLOR-UHFFFAOYSA-N 0 3 316.317 1.215 20 5 DDBDHN CC(C)N(C)CC(=O)N(C)CCN(C)c1ccccc1[N+](=O)[O-] ZINC001105415316 741191994 /nfs/dbraw/zinc/19/19/94/741191994.db2.gz NSTPZNOKJYUQNV-UHFFFAOYSA-N 0 3 322.409 1.830 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C1CCCC1 ZINC001154086837 749508770 /nfs/dbraw/zinc/50/87/70/749508770.db2.gz JEAUIUHZJUJWHR-UHFFFAOYSA-N 0 3 309.370 1.114 20 5 DDBDHN COc1ccnc(N2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169053539 762207944 /nfs/dbraw/zinc/20/79/44/762207944.db2.gz IKMCHHXCOISOHQ-UONOGXRCSA-N 0 3 320.393 1.658 20 5 DDBDHN COC(=O)c1cc([N+](=O)[O-])c(-n2ccc([C@@H](C)N)n2)cc1OC ZINC001169232270 762293618 /nfs/dbraw/zinc/29/36/18/762293618.db2.gz CFSFHOPSWYUYGD-MRVPVSSYSA-N 0 3 320.305 1.595 20 5 DDBDHN CCCN(C)CC(=O)N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097203763 756972910 /nfs/dbraw/zinc/97/29/10/756972910.db2.gz VJPVHACUSTTZKR-BETUJISGSA-N 0 3 320.393 1.996 20 5 DDBDHN O=C(NCC1CCN(Cc2ccns2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001399063 762825687 /nfs/dbraw/zinc/82/56/87/762825687.db2.gz IECXPIBXTBRFCC-CHWSQXEVSA-N 0 3 324.406 1.137 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CCC1(C)CC1 ZINC001170023214 764082542 /nfs/dbraw/zinc/08/25/42/764082542.db2.gz SMQHWMJWPXXMBS-UHFFFAOYSA-N 0 3 323.397 1.505 20 5 DDBDHN Cc1ccc(CCN2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001042705177 764372973 /nfs/dbraw/zinc/37/29/73/764372973.db2.gz KTZNEZAKAKCUAU-HZPDHXFCSA-N 0 3 317.389 1.345 20 5 DDBDHN CCCN(C)CC(=O)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001093787999 775078318 /nfs/dbraw/zinc/07/83/18/775078318.db2.gz RLVKDSOONAWESG-UHFFFAOYSA-N 0 3 312.345 1.604 20 5 DDBDHN CCN(CC)CC(=O)N(C)CCNc1ncccc1[N+](=O)[O-] ZINC001101628419 777323427 /nfs/dbraw/zinc/32/34/27/777323427.db2.gz IGPLZEAPFIVGHO-UHFFFAOYSA-N 0 3 309.370 1.202 20 5 DDBDHN CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCC1 ZINC001119592596 781529972 /nfs/dbraw/zinc/52/99/72/781529972.db2.gz IDESZZZSYURMAU-UHFFFAOYSA-N 0 3 303.362 1.964 20 5 DDBDHN Cc1nc(NC2CCN(C[C@@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC001326492221 861405258 /nfs/dbraw/zinc/40/52/58/861405258.db2.gz NTUWULNPKNFURJ-ZDUSSCGKSA-N 0 3 321.381 1.749 20 5 DDBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001155826573 862481764 /nfs/dbraw/zinc/48/17/64/862481764.db2.gz MOVVVMZDWMLQDD-DZGCQCFKSA-N 0 3 322.365 1.250 20 5 DDBDHN CC(C)CCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001154454759 861116761 /nfs/dbraw/zinc/11/67/61/861116761.db2.gz VUFCESXTVGSZIY-UHFFFAOYSA-N 0 3 311.386 1.360 20 5 DDBDHN CN1CCN(C(=N)Nc2ccc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001157914834 864253470 /nfs/dbraw/zinc/25/34/70/864253470.db2.gz MOKSUSAAVRWVGR-UHFFFAOYSA-N 0 3 314.349 1.737 20 5 DDBDHN NCc1cnnn1-c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001158428059 864648479 /nfs/dbraw/zinc/64/84/79/864648479.db2.gz NQOZQSXQSRNTKM-UHFFFAOYSA-N 0 3 323.622 1.096 20 5 DDBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CCN1C1CCCC1 ZINC001332008375 865497883 /nfs/dbraw/zinc/49/78/83/865497883.db2.gz ZGBBYJDSBPJNHQ-JTQLQIEISA-N 0 3 306.370 1.420 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@]2(C)CCCN(C)C2)n1 ZINC001162338564 867469266 /nfs/dbraw/zinc/46/92/66/867469266.db2.gz BWBOMHLQUINSNY-AWEZNQCLSA-N 0 3 308.338 1.673 20 5 DDBDHN Cc1c(NCc2nnn3c2CNCCC3)cc(F)cc1[N+](=O)[O-] ZINC001162972423 867961967 /nfs/dbraw/zinc/96/19/67/867961967.db2.gz URJOYUVUBBQJKY-UHFFFAOYSA-N 0 3 320.328 1.739 20 5 DDBDHN O=C1NCCC12CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001336840568 869177298 /nfs/dbraw/zinc/17/72/98/869177298.db2.gz CZAULEOPWAVVQH-CQSZACIVSA-N 0 3 319.361 1.230 20 5 DDBDHN COC[C@@]1(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCCCN1 ZINC001341741968 871800072 /nfs/dbraw/zinc/80/00/72/871800072.db2.gz WICZNGDCHHJNMJ-BLLLJJGKSA-N 0 3 321.377 1.931 20 5 DDBDHN C[C@@H](CNC(=O)[C@@H](N)CC(F)F)c1ccccc1[N+](=O)[O-] ZINC001358389398 880417769 /nfs/dbraw/zinc/41/77/69/880417769.db2.gz VSLFPWPKQLSJPU-WPRPVWTQSA-N 0 3 301.293 1.797 20 5 DDBDHN CN(C)CCn1nnnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000337955155 282115876 /nfs/dbraw/zinc/11/58/76/282115876.db2.gz KEHVOFRFFFFQLQ-UHFFFAOYSA-N 0 3 308.367 1.435 20 5 DDBDHN C[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)CS(C)(=O)=O ZINC000451105247 231010636 /nfs/dbraw/zinc/01/06/36/231010636.db2.gz LWJBFQCKWVKZOC-MNOVXSKESA-N 0 3 300.380 1.926 20 5 DDBDHN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1CCO ZINC000451650479 231151112 /nfs/dbraw/zinc/15/11/12/231151112.db2.gz FEVVNWUZCPTPFU-OKILXGFUSA-N 0 3 307.394 1.524 20 5 DDBDHN CC1(C)CN(C/C=C/c2ccccc2[N+](=O)[O-])CCN1CCO ZINC000615140542 362170469 /nfs/dbraw/zinc/17/04/69/362170469.db2.gz VUUORYIRWNUDOA-FNORWQNLSA-N 0 3 319.405 1.997 20 5 DDBDHN CN1CCN(CCNc2ncc([N+](=O)[O-])cc2F)CC1(C)C ZINC000413289441 529772374 /nfs/dbraw/zinc/77/23/74/529772374.db2.gz YBEXXTCAUCLCOY-UHFFFAOYSA-N 0 3 311.361 1.567 20 5 DDBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(O)c1 ZINC000181580247 199322265 /nfs/dbraw/zinc/32/22/65/199322265.db2.gz BIXWRIRFRARFLP-HZMBPMFUSA-N 0 3 306.322 1.209 20 5 DDBDHN CCOC1CC(N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000286721960 219130178 /nfs/dbraw/zinc/13/01/78/219130178.db2.gz GIBLGZJIRVTOHA-MOKVOYLWSA-N 0 3 324.377 1.834 20 5 DDBDHN Cc1nn(C)c(C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000287136205 219336647 /nfs/dbraw/zinc/33/66/47/219336647.db2.gz MZVULMCHDULCAI-VXGBXAGGSA-N 0 3 321.381 1.336 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](OCCO)C2)cc1 ZINC000172301745 198074810 /nfs/dbraw/zinc/07/48/10/198074810.db2.gz MQRJJVOQAJXYIA-HNNXBMFYSA-N 0 3 310.350 1.447 20 5 DDBDHN COCCN(C)CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000031096398 352261883 /nfs/dbraw/zinc/26/18/83/352261883.db2.gz WASBJUOYLJSVRR-UHFFFAOYSA-N 0 3 310.354 1.685 20 5 DDBDHN CCN1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000042595301 352344301 /nfs/dbraw/zinc/34/43/01/352344301.db2.gz LGFLJLRHGIQVRA-UHFFFAOYSA-N 0 3 324.381 1.335 20 5 DDBDHN Cc1cccc(C(=O)Nc2cnn(CCN(C)C)c2)c1[N+](=O)[O-] ZINC000061636059 352891990 /nfs/dbraw/zinc/89/19/90/352891990.db2.gz DOGUNSRWEWVDJJ-UHFFFAOYSA-N 0 3 317.349 1.914 20 5 DDBDHN CN(C)Cc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000065775956 352962115 /nfs/dbraw/zinc/96/21/15/352962115.db2.gz DDUJFXOOLSANJU-UHFFFAOYSA-N 0 3 317.349 1.882 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(Cl)s2)c1 ZINC000071308411 353192166 /nfs/dbraw/zinc/19/21/66/353192166.db2.gz UBVXKSFOIULNPW-VIFPVBQESA-N 0 3 316.770 1.657 20 5 DDBDHN CCC1(O)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000075859136 353383126 /nfs/dbraw/zinc/38/31/26/353383126.db2.gz RUQJBQMIXAZFMF-AWEZNQCLSA-N 0 3 324.377 1.571 20 5 DDBDHN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccc(F)cc1 ZINC000076871430 353442058 /nfs/dbraw/zinc/44/20/58/353442058.db2.gz RYXNXXOMUUEDLG-NSHDSACASA-N 0 3 320.328 1.821 20 5 DDBDHN CCOCCN(C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000093311631 353894476 /nfs/dbraw/zinc/89/44/76/353894476.db2.gz YANAUEPNHVEDLT-UHFFFAOYSA-N 0 3 323.349 1.861 20 5 DDBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CN2CCC1CC2 ZINC000357251965 291033321 /nfs/dbraw/zinc/03/33/21/291033321.db2.gz DPRZCIHXXBTBMQ-OAHLLOKOSA-N 0 3 321.352 1.829 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)C[C@@H](C)[NH3+] ZINC000319990583 354523832 /nfs/dbraw/zinc/52/38/32/354523832.db2.gz AEWBVOBGLPSXRO-RKDXNWHRSA-N 0 3 317.367 1.008 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000590010679 355040826 /nfs/dbraw/zinc/04/08/26/355040826.db2.gz OSRDJTJXTLYSJK-NHYWBVRUSA-N 0 3 319.361 1.597 20 5 DDBDHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000590590221 355122467 /nfs/dbraw/zinc/12/24/67/355122467.db2.gz WHCUEBOGGLBGOD-MNOVXSKESA-N 0 3 313.379 1.308 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000590443370 355097654 /nfs/dbraw/zinc/09/76/54/355097654.db2.gz IMZHFRHEEDPNJG-FZMZJTMJSA-N 0 3 305.334 1.136 20 5 DDBDHN COc1cc(C[NH2+][C@H]2CC[C@@H](CO)CC2)c([N+](=O)[O-])cc1[O-] ZINC000590646812 355137918 /nfs/dbraw/zinc/13/79/18/355137918.db2.gz VKVWMRBCUCTPGB-KLPPZKSPSA-N 0 3 310.350 1.950 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCN(CC3CCC3)CC2)n1 ZINC000591079645 355244800 /nfs/dbraw/zinc/24/48/00/355244800.db2.gz RMQFGIRPQMLVHH-UHFFFAOYSA-N 0 3 321.381 1.276 20 5 DDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(CCN(C)C)C(=O)C1 ZINC000593050989 355780690 /nfs/dbraw/zinc/78/06/90/355780690.db2.gz JWJANWDZOIGRFT-CYBMUJFWSA-N 0 3 320.393 1.362 20 5 DDBDHN CCOC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000005459374 181246234 /nfs/dbraw/zinc/24/62/34/181246234.db2.gz HMIXFEYSGOYEAC-UHFFFAOYSA-N 0 3 307.306 1.509 20 5 DDBDHN CNc1ccc(C(=O)N[C@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594450975 356221783 /nfs/dbraw/zinc/22/17/83/356221783.db2.gz AKKKVJYHOOTNAI-SECBINFHSA-N 0 3 306.244 1.256 20 5 DDBDHN C[C@@H](N[C@@H]1CCc2c(nnn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000594519950 356241756 /nfs/dbraw/zinc/24/17/56/356241756.db2.gz HLQFJHPYORUUJZ-ZYHUDNBSSA-N 0 3 301.350 1.931 20 5 DDBDHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000594919353 356354108 /nfs/dbraw/zinc/35/41/08/356354108.db2.gz YIAJGQDGBQSXRD-YUSALJHKSA-N 0 3 308.334 1.891 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@]1(O)CCN(C)C1 ZINC000595032292 356374337 /nfs/dbraw/zinc/37/43/37/356374337.db2.gz MCVGCLPUDOIYEC-IAQYHMDHSA-N 0 3 309.366 1.321 20 5 DDBDHN Cc1ccc([C@H](C)NCCN2C(=O)CN(C)C2=O)cc1[N+](=O)[O-] ZINC000595418999 356485742 /nfs/dbraw/zinc/48/57/42/356485742.db2.gz HSENMTMZHLWKDO-NSHDSACASA-N 0 3 320.349 1.448 20 5 DDBDHN CC[C@H](C)[C@@H](N)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237053730 202135909 /nfs/dbraw/zinc/13/59/09/202135909.db2.gz HKXHRHCSKSTUEC-MISXGVKJSA-N 0 3 321.381 1.376 20 5 DDBDHN C[N@H+](CC1CC1)C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596146670 356791330 /nfs/dbraw/zinc/79/13/30/356791330.db2.gz GVQHFHOUTSFLNJ-LBPRGKRZSA-N 0 3 306.366 1.864 20 5 DDBDHN C[N@@H+](CC1CC1)C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596146670 356791334 /nfs/dbraw/zinc/79/13/34/356791334.db2.gz GVQHFHOUTSFLNJ-LBPRGKRZSA-N 0 3 306.366 1.864 20 5 DDBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CN1C1CC1 ZINC000596155925 356794413 /nfs/dbraw/zinc/79/44/13/356794413.db2.gz LMIOSNNLWHJNBY-GXSJLCMTSA-N 0 3 304.350 1.731 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCC(N3CCCOCC3)CC2)cn1 ZINC000596269404 356838994 /nfs/dbraw/zinc/83/89/94/356838994.db2.gz SZGRULDMJWGVRM-UHFFFAOYSA-N 0 3 306.366 1.681 20 5 DDBDHN CNCc1cccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)c1 ZINC000237221452 202194298 /nfs/dbraw/zinc/19/42/98/202194298.db2.gz YYBRMNOTRHXDGT-UHFFFAOYSA-N 0 3 303.322 1.458 20 5 DDBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000598262853 357513395 /nfs/dbraw/zinc/51/33/95/357513395.db2.gz MTXVPMGEIUAXMJ-LBPRGKRZSA-N 0 3 309.370 1.028 20 5 DDBDHN CCCN1CC[C@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000598341616 357544348 /nfs/dbraw/zinc/54/43/48/357544348.db2.gz DSGPGXBNXHXYGR-ZDUSSCGKSA-N 0 3 323.397 1.399 20 5 DDBDHN CNc1c(C(=O)N2CCN[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000598573760 357637369 /nfs/dbraw/zinc/63/73/69/357637369.db2.gz OFYUEBBTSIDQKV-LBPRGKRZSA-N 0 3 306.366 1.707 20 5 DDBDHN COCCC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000599505945 357958527 /nfs/dbraw/zinc/95/85/27/357958527.db2.gz FIFVNQKQUJWWMX-UHFFFAOYSA-N 0 3 309.366 1.505 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CC3(CCOCC3)CC[C@@H]2CO)c1 ZINC000599544293 357967800 /nfs/dbraw/zinc/96/78/00/357967800.db2.gz ZKAOVJMAYWXBGC-CYBMUJFWSA-N 0 3 324.381 1.045 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180006546 199105472 /nfs/dbraw/zinc/10/54/72/199105472.db2.gz JKGBWKCROZKPNB-NSHDSACASA-N 0 3 321.333 1.538 20 5 DDBDHN O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCN1C1CCCCC1 ZINC000600229419 358163312 /nfs/dbraw/zinc/16/33/12/358163312.db2.gz SCSQJYGMXOXABN-CYBMUJFWSA-N 0 3 321.381 1.315 20 5 DDBDHN CS[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000601136258 358417131 /nfs/dbraw/zinc/41/71/31/358417131.db2.gz YWXZNAYOZWAOOT-WDEREUQCSA-N 0 3 300.359 1.611 20 5 DDBDHN COCCOC[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602787574 359191810 /nfs/dbraw/zinc/19/18/10/359191810.db2.gz ZOTXGDGPARUUSI-CYBMUJFWSA-N 0 3 312.370 1.085 20 5 DDBDHN C[C@@H]1COCCN1C1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602838858 359228938 /nfs/dbraw/zinc/22/89/38/359228938.db2.gz UHSAMPADSVZPNW-GFCCVEGCSA-N 0 3 323.397 1.013 20 5 DDBDHN Cn1cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c([N+](=O)[O-])n1 ZINC000602822351 359217196 /nfs/dbraw/zinc/21/71/96/359217196.db2.gz RUFPZLWNHUPWMO-XQQFMLRXSA-N 0 3 306.366 1.766 20 5 DDBDHN CO[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])[C@@](C)(CO)C1 ZINC000602963637 359326914 /nfs/dbraw/zinc/32/69/14/359326914.db2.gz HPSSJNDNLGQSAH-SWLSCSKDSA-N 0 3 310.350 1.445 20 5 DDBDHN O=[N+]([O-])c1cnn(CCn2cc(CCN3CCCCC3)nn2)c1 ZINC000603226571 359497529 /nfs/dbraw/zinc/49/75/29/359497529.db2.gz ZMNZCFOBTNWSNQ-UHFFFAOYSA-N 0 3 319.369 1.111 20 5 DDBDHN C[C@H]1CC[C@@](CO)(N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000187982173 200186510 /nfs/dbraw/zinc/18/65/10/200186510.db2.gz VYNUQHZYQBGADJ-MEDUHNTESA-N 0 3 321.377 1.677 20 5 DDBDHN Cn1nnnc1CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618571446 363678309 /nfs/dbraw/zinc/67/83/09/363678309.db2.gz QVLPNELOVBZJRV-ZDUSSCGKSA-N 0 3 302.338 1.328 20 5 DDBDHN Cc1nn(CCC(=O)N[C@@H]2CCCN(C)C2)c(C)c1[N+](=O)[O-] ZINC000608839545 360249588 /nfs/dbraw/zinc/24/95/88/360249588.db2.gz GGCUTFNPQMTGBY-GFCCVEGCSA-N 0 3 309.370 1.009 20 5 DDBDHN COCCN1CCC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000610239876 360395466 /nfs/dbraw/zinc/39/54/66/360395466.db2.gz AQMAGFYUVPQLAH-AWEZNQCLSA-N 0 3 321.377 1.364 20 5 DDBDHN CC[C@H](CN1CCCC1)NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000609877697 360359284 /nfs/dbraw/zinc/35/92/84/360359284.db2.gz PDTQQGNYMDHMAF-LLVKDONJSA-N 0 3 309.370 1.241 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000610712470 360512508 /nfs/dbraw/zinc/51/25/08/360512508.db2.gz BWNUIPZHLWDQTB-MFKMUULPSA-N 0 3 321.381 1.125 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000611104316 360623796 /nfs/dbraw/zinc/62/37/96/360623796.db2.gz PSLSRBWWXQVMLE-CYBMUJFWSA-N 0 3 323.397 1.410 20 5 DDBDHN COC[C@@H]1CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612086275 360913443 /nfs/dbraw/zinc/91/34/43/360913443.db2.gz LVWZMVSICSKQBS-STQMWFEESA-N 0 3 310.350 1.445 20 5 DDBDHN C[C@H](O)CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000281389947 216267744 /nfs/dbraw/zinc/26/77/44/216267744.db2.gz GGBLTGDWLZNXDJ-MNOVXSKESA-N 0 3 319.365 1.362 20 5 DDBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000195137273 201346590 /nfs/dbraw/zinc/34/65/90/201346590.db2.gz LMSWODUIUNDIGW-NSHDSACASA-N 0 3 306.366 1.781 20 5 DDBDHN COc1cnccc1N1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000619504505 364041768 /nfs/dbraw/zinc/04/17/68/364041768.db2.gz JZRATWIFAQQYFT-UHFFFAOYSA-N 0 3 315.333 1.720 20 5 DDBDHN CCc1n[nH]c(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000275067545 212102230 /nfs/dbraw/zinc/10/22/30/212102230.db2.gz AHXMBWQYVPLIHR-MWLCHTKSSA-N 0 3 309.370 1.293 20 5 DDBDHN CCc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000275067545 212102232 /nfs/dbraw/zinc/10/22/32/212102232.db2.gz AHXMBWQYVPLIHR-MWLCHTKSSA-N 0 3 309.370 1.293 20 5 DDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1C ZINC000264956126 204300533 /nfs/dbraw/zinc/30/05/33/204300533.db2.gz YSWSUELVBOJRJJ-GFCCVEGCSA-N 0 3 306.366 1.485 20 5 DDBDHN CN(C)[C@H]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000270518377 248620890 /nfs/dbraw/zinc/62/08/90/248620890.db2.gz MJRUOGDJLOLILC-HNNXBMFYSA-N 0 3 320.393 1.873 20 5 DDBDHN O=C(NCCNc1ccncc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000338069217 249778277 /nfs/dbraw/zinc/77/82/77/249778277.db2.gz LNHMVVKJSIYJGU-UHFFFAOYSA-N 0 3 320.736 1.907 20 5 DDBDHN O=C(CCN1CCC(CO)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000339141266 250311566 /nfs/dbraw/zinc/31/15/66/250311566.db2.gz QWWPIVQGNAXWIW-UHFFFAOYSA-N 0 3 307.350 1.628 20 5 DDBDHN Cc1c([C@@H](C)NC[C@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000268733124 206933782 /nfs/dbraw/zinc/93/37/82/206933782.db2.gz CSJVQZHHOHTWMV-VXGBXAGGSA-N 0 3 312.391 1.989 20 5 DDBDHN CN(C)CCOc1cnccc1CNc1c([N+](=O)[O-])ncn1C ZINC000341022717 251342849 /nfs/dbraw/zinc/34/28/49/251342849.db2.gz AXASRMSQLAGXEI-UHFFFAOYSA-N 0 3 320.353 1.276 20 5 DDBDHN Cc1nn(C)c(C(=O)Nc2ccc3c(c2)CNCC3)c1[N+](=O)[O-] ZINC000269246135 207379857 /nfs/dbraw/zinc/37/98/57/207379857.db2.gz ZMWRYVLFXPRNAV-UHFFFAOYSA-N 0 3 315.333 1.535 20 5 DDBDHN Cc1ccc([C@@H](C)NC(=O)C[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000269250697 207387492 /nfs/dbraw/zinc/38/74/92/207387492.db2.gz SMCWCTQMLHOZCK-YPMHNXCESA-N 0 3 307.350 1.459 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)CN(C)C ZINC000459544318 533138114 /nfs/dbraw/zinc/13/81/14/533138114.db2.gz DIBDFDAKLYMXSC-UHFFFAOYSA-N 0 3 324.381 1.472 20 5 DDBDHN CO[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451578804 533414730 /nfs/dbraw/zinc/41/47/30/533414730.db2.gz XRDYSKLTIYLPEE-UMVBOHGHSA-N 0 3 324.377 1.691 20 5 DDBDHN COCCCN(C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000078372894 407026709 /nfs/dbraw/zinc/02/67/09/407026709.db2.gz ZPBAWIOLFCARLI-UHFFFAOYSA-N 0 3 312.326 1.883 20 5 DDBDHN CN(C)CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000053152622 407164436 /nfs/dbraw/zinc/16/44/36/407164436.db2.gz XBMNVBMDKSIITR-UHFFFAOYSA-N 0 3 309.370 1.124 20 5 DDBDHN O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000124534834 407361453 /nfs/dbraw/zinc/36/14/53/407361453.db2.gz HSRURJWYTQPABB-LLVKDONJSA-N 0 3 305.338 1.692 20 5 DDBDHN C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000186487616 407678944 /nfs/dbraw/zinc/67/89/44/407678944.db2.gz AEUAVUKWMKYAIH-HZMBPMFUSA-N 0 3 317.349 1.739 20 5 DDBDHN C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000171649825 407733390 /nfs/dbraw/zinc/73/33/90/407733390.db2.gz HCIAYNMIZCLYMU-NSHDSACASA-N 0 3 306.366 1.877 20 5 DDBDHN CC(C)(C(=O)NC[C@H](N)c1ccccc1)n1cc([N+](=O)[O-])cn1 ZINC000236714123 407757854 /nfs/dbraw/zinc/75/78/54/407757854.db2.gz FKMCUINZZPRGRV-ZDUSSCGKSA-N 0 3 317.349 1.343 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000268135974 407906326 /nfs/dbraw/zinc/90/63/26/407906326.db2.gz CIGUGXFLKUAGKB-NOZJJQNGSA-N 0 3 304.350 1.390 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000245466484 407992322 /nfs/dbraw/zinc/99/23/22/407992322.db2.gz ZBIWUFYWKRZQKS-YPMHNXCESA-N 0 3 319.361 1.912 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154747829 408077729 /nfs/dbraw/zinc/07/77/29/408077729.db2.gz SAEWQPORRKZVSO-NSHDSACASA-N 0 3 314.345 1.967 20 5 DDBDHN C[C@H](O)[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182492208 408178721 /nfs/dbraw/zinc/17/87/21/408178721.db2.gz LZPBWQMQNGGYDP-XQQFMLRXSA-N 0 3 310.350 1.037 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(CO)CCCC1 ZINC000175996410 408262439 /nfs/dbraw/zinc/26/24/39/408262439.db2.gz LBEJAIOYYWOSGI-UHFFFAOYSA-N 0 3 323.349 1.437 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000269432747 408308484 /nfs/dbraw/zinc/30/84/84/408308484.db2.gz CIWNUFWVEGQKAL-KOLCDFICSA-N 0 3 321.381 1.654 20 5 DDBDHN C[C@H](NC[C@H](O)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000173363957 162334105 /nfs/dbraw/zinc/33/41/05/162334105.db2.gz NIBOYQRJFCWBAX-FZMZJTMJSA-N 0 3 307.350 1.229 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCN(C3CCC3)CC2)c1 ZINC000269645881 408373185 /nfs/dbraw/zinc/37/31/85/408373185.db2.gz KXRXFGRTHLNFQQ-INIZCTEOSA-N 0 3 305.378 1.798 20 5 DDBDHN CC(C)N1CCC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000274433782 408404057 /nfs/dbraw/zinc/40/40/57/408404057.db2.gz GHVURZFCBMBNIY-NSHDSACASA-N 0 3 324.356 1.919 20 5 DDBDHN COC[C@@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000183447304 408413259 /nfs/dbraw/zinc/41/32/59/408413259.db2.gz OLVSKYWDSNUXJG-CQSZACIVSA-N 0 3 307.350 1.856 20 5 DDBDHN COCCN1CC[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000264438277 408489542 /nfs/dbraw/zinc/48/95/42/408489542.db2.gz BJYCJJTYMZGVIA-BTKRWWFXSA-N 0 3 319.361 1.445 20 5 DDBDHN CCN1CCC[C@@H]1CN(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000177030511 408501164 /nfs/dbraw/zinc/50/11/64/408501164.db2.gz FQINRWJALAEYQL-LLVKDONJSA-N 0 3 306.366 1.733 20 5 DDBDHN COc1cccc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000192690368 408631901 /nfs/dbraw/zinc/63/19/01/408631901.db2.gz CVCKGRKQBODRJU-GHMZBOCLSA-N 0 3 319.361 1.958 20 5 DDBDHN CCc1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2CCN(CC)C3)c1[N+](=O)[O-] ZINC000192688215 408632594 /nfs/dbraw/zinc/63/25/94/408632594.db2.gz VINLCSHBZIEAMB-WDEREUQCSA-N 0 3 321.381 1.579 20 5 DDBDHN CCc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2CCN(CC)C3)c1[N+](=O)[O-] ZINC000192688215 408632599 /nfs/dbraw/zinc/63/25/99/408632599.db2.gz VINLCSHBZIEAMB-WDEREUQCSA-N 0 3 321.381 1.579 20 5 DDBDHN CN(C)Cc1cccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000270758183 408668456 /nfs/dbraw/zinc/66/84/56/408668456.db2.gz LJLUEUCDXYLZGM-UHFFFAOYSA-N 0 3 303.322 1.642 20 5 DDBDHN COCCN1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000265653649 408731370 /nfs/dbraw/zinc/73/13/70/408731370.db2.gz XZLJFJJBDVHVBS-CYBMUJFWSA-N 0 3 322.365 1.115 20 5 DDBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000163605339 408784025 /nfs/dbraw/zinc/78/40/25/408784025.db2.gz ROOLIICVJQQSGG-LLVKDONJSA-N 0 3 323.397 1.569 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249733596 408758703 /nfs/dbraw/zinc/75/87/03/408758703.db2.gz CLDIVELLORBZQE-GHMZBOCLSA-N 0 3 323.397 1.487 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276501257 408872179 /nfs/dbraw/zinc/87/21/79/408872179.db2.gz JMWODCZBGYTLRB-YMTOWFKASA-N 0 3 304.350 1.390 20 5 DDBDHN Nc1ccc(C(=O)NCc2ccc3c(c2)CNC3)cc1[N+](=O)[O-] ZINC000188737292 163066036 /nfs/dbraw/zinc/06/60/36/163066036.db2.gz DBAQDDWHEBZGNY-UHFFFAOYSA-N 0 3 312.329 1.710 20 5 DDBDHN Cc1n[nH]c(C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000286989442 409003120 /nfs/dbraw/zinc/00/31/20/409003120.db2.gz GXVHQJYVZHKGAX-MNOVXSKESA-N 0 3 307.354 1.325 20 5 DDBDHN Cc1[nH]nc(C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000286989442 409003122 /nfs/dbraw/zinc/00/31/22/409003122.db2.gz GXVHQJYVZHKGAX-MNOVXSKESA-N 0 3 307.354 1.325 20 5 DDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)N(C)C1CC1 ZINC000279311304 409190175 /nfs/dbraw/zinc/19/01/75/409190175.db2.gz AVQBEAIVROXNKN-QMMMGPOBSA-N 0 3 310.329 1.529 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000342451402 409642727 /nfs/dbraw/zinc/64/27/27/409642727.db2.gz PAVZHJAPORMNHZ-YMTOWFKASA-N 0 3 304.350 1.511 20 5 DDBDHN CN(C)[C@]1(CNc2cccc(C(N)=O)c2[N+](=O)[O-])CCSC1 ZINC000342825843 409929528 /nfs/dbraw/zinc/92/95/28/409929528.db2.gz QQOVMZHINSDTBZ-AWEZNQCLSA-N 0 3 324.406 1.543 20 5 DDBDHN COc1ccc(C(=O)N[C@H]2CCCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343525035 410508680 /nfs/dbraw/zinc/50/86/80/410508680.db2.gz LSZZEVSEIMJNMJ-PWSUYJOCSA-N 0 3 307.350 1.816 20 5 DDBDHN CS[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000330500417 410732411 /nfs/dbraw/zinc/73/24/11/410732411.db2.gz OSJDYFNCPLIRIM-ZIAGYGMSSA-N 0 3 323.418 1.641 20 5 DDBDHN COC(=O)c1cnc(N[C@@H]2C[C@H](C)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000302750016 410857535 /nfs/dbraw/zinc/85/75/35/410857535.db2.gz GWKLHYSZFDCPBI-GXSJLCMTSA-N 0 3 320.349 1.814 20 5 DDBDHN COC(=O)[C@H]1CCCC[C@]1(C)NCc1c([N+](=O)[O-])ncn1C ZINC000330663987 410858536 /nfs/dbraw/zinc/85/85/36/410858536.db2.gz FPKRQKBJCQYOQA-YGRLFVJLSA-N 0 3 310.354 1.540 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCNC(C)(C)C2)c1 ZINC000330670263 410865225 /nfs/dbraw/zinc/86/52/25/410865225.db2.gz BRDCEBTWYIEGDT-UHFFFAOYSA-N 0 3 321.377 1.883 20 5 DDBDHN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1 ZINC000348509049 410989546 /nfs/dbraw/zinc/98/95/46/410989546.db2.gz RDWHGCMTGVQQKS-LBPRGKRZSA-N 0 3 303.322 1.351 20 5 DDBDHN CC(C)CN1CCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000129571616 196058979 /nfs/dbraw/zinc/05/89/79/196058979.db2.gz DIDQJMAECMOXLG-LLVKDONJSA-N 0 3 309.370 1.179 20 5 DDBDHN CNc1c(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000360945989 418551720 /nfs/dbraw/zinc/55/17/20/418551720.db2.gz SUXNAGYZENRUNZ-MFKMUULPSA-N 0 3 318.377 1.849 20 5 DDBDHN CCc1nn(C)c(NC[C@@H]2CCCN2CCOC)c1[N+](=O)[O-] ZINC000360967103 418556644 /nfs/dbraw/zinc/55/66/44/418556644.db2.gz WZIMKJVAABQKBE-NSHDSACASA-N 0 3 311.386 1.413 20 5 DDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)CNC2 ZINC000367648678 418619213 /nfs/dbraw/zinc/61/92/13/418619213.db2.gz KZYVHGSXAOGUSH-UHFFFAOYSA-N 0 3 312.329 1.710 20 5 DDBDHN CO[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000361361229 418634683 /nfs/dbraw/zinc/63/46/83/418634683.db2.gz DLPCIWCGZTTYHS-CYBMUJFWSA-N 0 3 307.350 1.953 20 5 DDBDHN COc1ccc(OCCN2CCCN(C)CC2)c([N+](=O)[O-])c1 ZINC000411150677 418873916 /nfs/dbraw/zinc/87/39/16/418873916.db2.gz XDOKTSWEFVOFDY-UHFFFAOYSA-N 0 3 309.366 1.620 20 5 DDBDHN CN1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000411157155 418874874 /nfs/dbraw/zinc/87/48/74/418874874.db2.gz PXZGOYHOVWKEFD-HNNXBMFYSA-N 0 3 318.377 1.338 20 5 DDBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@H](n3cncn3)C2)cc1 ZINC000372483319 418875846 /nfs/dbraw/zinc/87/58/46/418875846.db2.gz UIJHTGYPADMOLL-AWEZNQCLSA-N 0 3 317.349 1.902 20 5 DDBDHN CC(C)(O)CN1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000372552581 418882676 /nfs/dbraw/zinc/88/26/76/418882676.db2.gz KESNRPZYJSJEDK-UHFFFAOYSA-N 0 3 307.394 1.873 20 5 DDBDHN N[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1c1ccccc1F ZINC000424040017 228221986 /nfs/dbraw/zinc/22/19/86/228221986.db2.gz QBWHSCXPIONWQP-CMPLNLGQSA-N 0 3 318.308 1.629 20 5 DDBDHN N[C@@H]1C[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000424120909 228230629 /nfs/dbraw/zinc/23/06/29/228230629.db2.gz HOAUSPWKGTXSAF-UONOGXRCSA-N 0 3 305.334 1.312 20 5 DDBDHN COc1cc(CN[C@H](CO)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000411983256 419542820 /nfs/dbraw/zinc/54/28/20/419542820.db2.gz FNJLTWVYIWAPBZ-QWHCGFSZSA-N 0 3 310.350 1.481 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCN1CCN(C)CC1 ZINC000299655989 229304699 /nfs/dbraw/zinc/30/46/99/229304699.db2.gz PNEAYXYMBUUSEC-UHFFFAOYSA-N 0 3 320.393 1.271 20 5 DDBDHN CC[NH+](CC)CC[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000432128739 420241788 /nfs/dbraw/zinc/24/17/88/420241788.db2.gz HXICHTAHNDZIHF-UHFFFAOYSA-N 0 3 305.338 2.399 20 5 DDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCNC[C@](C)(F)C1 ZINC000420339293 420219835 /nfs/dbraw/zinc/21/98/35/420219835.db2.gz SHBLWHNXZCWTJQ-ABAIWWIYSA-N 0 3 324.356 1.555 20 5 DDBDHN COC(=O)c1cc(C(=O)NCC2(N(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000416287486 420308770 /nfs/dbraw/zinc/30/87/70/420308770.db2.gz DNKLCDZJDJXLRI-UHFFFAOYSA-N 0 3 321.333 1.205 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@@H](C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000420451240 420295973 /nfs/dbraw/zinc/29/59/73/420295973.db2.gz YWGZZLTWRLXNKW-JTQLQIEISA-N 0 3 301.368 1.309 20 5 DDBDHN COc1ccc(CN[C@@H](C)C[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC000422951209 533684047 /nfs/dbraw/zinc/68/40/47/533684047.db2.gz ZWAARSCEDWYBJX-AAEUAGOBSA-N 0 3 309.366 1.460 20 5 DDBDHN CC(C)N1CC[C@@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000457092332 420610029 /nfs/dbraw/zinc/61/00/29/420610029.db2.gz XIGCBLCKNDSHMI-CYBMUJFWSA-N 0 3 321.377 1.915 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC[C@]1(C)CO ZINC000492894860 420702284 /nfs/dbraw/zinc/70/22/84/420702284.db2.gz SKBKKRBTIIOARZ-GDBMZVCRSA-N 0 3 321.377 1.982 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459657308 420840767 /nfs/dbraw/zinc/84/07/67/420840767.db2.gz FQDQOCPPLVNBHD-KBPBESRZSA-N 0 3 319.361 1.257 20 5 DDBDHN COc1cc(C[NH2+]CCc2cn(C)cn2)c([N+](=O)[O-])cc1[O-] ZINC000459654304 420842211 /nfs/dbraw/zinc/84/22/11/420842211.db2.gz DZAWBWCNHFQKMR-UHFFFAOYSA-N 0 3 306.322 1.375 20 5 DDBDHN CCNC(=O)[C@H](C)N[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447507886 420776308 /nfs/dbraw/zinc/77/63/08/420776308.db2.gz JDCDGBGSKIFKQL-SRVKXCTJSA-N 0 3 309.370 1.389 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CCCN1CCCO ZINC000450594320 421214338 /nfs/dbraw/zinc/21/43/38/421214338.db2.gz KIICISMXHIRXGT-NSHDSACASA-N 0 3 314.773 1.902 20 5 DDBDHN CC(C)C[C@@H](CN1CCCC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000450599783 421215135 /nfs/dbraw/zinc/21/51/35/421215135.db2.gz UBUGHNNOWYEXJN-NSHDSACASA-N 0 3 308.386 1.889 20 5 DDBDHN Cn1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000562990897 421434796 /nfs/dbraw/zinc/43/47/96/421434796.db2.gz JKNFSUGZUKIWPL-CYBMUJFWSA-N 0 3 305.334 1.463 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H](N2CCCCC2)C1 ZINC000531628941 421639935 /nfs/dbraw/zinc/63/99/35/421639935.db2.gz DVTMZJXXOUPEQY-ZDUSSCGKSA-N 0 3 304.350 1.690 20 5 DDBDHN CNc1nccc(C(=O)NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000552968817 421597913 /nfs/dbraw/zinc/59/79/13/421597913.db2.gz YPZORZYLPROFLS-UHFFFAOYSA-N 0 3 321.381 1.637 20 5 DDBDHN CNc1ccc(C(=O)N(CCOC)CCN(C)C)cc1[N+](=O)[O-] ZINC000520562552 421755687 /nfs/dbraw/zinc/75/56/87/421755687.db2.gz YWIQVYHPNSQUHT-UHFFFAOYSA-N 0 3 324.381 1.287 20 5 DDBDHN O=C(CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)NCC1CC1 ZINC000580991461 421875864 /nfs/dbraw/zinc/87/58/64/421875864.db2.gz GWYONRVRHDTWNW-QWHCGFSZSA-N 0 3 321.381 1.391 20 5 DDBDHN CN1C[C@@H](CNc2ncc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000591985362 422328506 /nfs/dbraw/zinc/32/85/06/422328506.db2.gz HKKDBBMYVBYAAR-HIFRSBDPSA-N 0 3 313.361 2.142 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@]12CCOC2 ZINC000341956078 271258792 /nfs/dbraw/zinc/25/87/92/271258792.db2.gz SKIYNELTTRYQKY-CJNGLKHVSA-N 0 3 322.361 1.589 20 5 DDBDHN C[C@@H]1CN[C@@H](C)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420244622 274378751 /nfs/dbraw/zinc/37/87/51/274378751.db2.gz YTGBFJXMMUZKLR-VHSXEESVSA-N 0 3 303.322 1.831 20 5 DDBDHN C[C@H](N[C@@H](C)[C@H]1CCOC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000266268662 274518776 /nfs/dbraw/zinc/51/87/76/274518776.db2.gz AZILPVGSHVAWJW-SRVKXCTJSA-N 0 3 307.350 1.936 20 5 DDBDHN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H](CN2CCOCC2)C1 ZINC000172940884 275035868 /nfs/dbraw/zinc/03/58/68/275035868.db2.gz XYVJLBNPFBYHTD-CYBMUJFWSA-N 0 3 323.368 1.888 20 5 DDBDHN O=[N+]([O-])c1cnc2ccc(N3CCN(C4CCCC4)CC3)nn21 ZINC000301830076 275041642 /nfs/dbraw/zinc/04/16/42/275041642.db2.gz HFRJKAMDKPLPNH-UHFFFAOYSA-N 0 3 316.365 1.702 20 5 DDBDHN CCN1CCN([C@@H]2CCN(c3ccc(N)cc3[N+](=O)[O-])C2)CC1 ZINC000287222681 276199086 /nfs/dbraw/zinc/19/90/86/276199086.db2.gz ITYHSJKMISFBTO-CQSZACIVSA-N 0 3 319.409 1.393 20 5 DDBDHN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449138126 276388619 /nfs/dbraw/zinc/38/86/19/276388619.db2.gz HGWKBIXLHSDJMH-NWDGAFQWSA-N 0 3 314.407 1.939 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000125286807 281205838 /nfs/dbraw/zinc/20/58/38/281205838.db2.gz LJSJMAZWIYLTEW-ZDUSSCGKSA-N 0 3 318.377 1.757 20 5 DDBDHN CN1CC[C@H]2[C@@H](CCCN2c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290732637 290241081 /nfs/dbraw/zinc/24/10/81/290241081.db2.gz GCQVBDUUNXUHKH-JQWIXIFHSA-N 0 3 319.365 1.009 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2CN2CCCCC2)n1 ZINC000271451542 294308929 /nfs/dbraw/zinc/30/89/29/294308929.db2.gz VUBNUROXAZJKGF-GFCCVEGCSA-N 0 3 321.381 1.419 20 5 DDBDHN CN(C)Cc1ccccc1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000362945455 300185521 /nfs/dbraw/zinc/18/55/21/300185521.db2.gz SFJVGXFCVWVEQW-UHFFFAOYSA-N 0 3 317.349 1.283 20 5 DDBDHN CC[C@H](C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N(C)C ZINC000368411468 301021665 /nfs/dbraw/zinc/02/16/65/301021665.db2.gz IAEKNOBUSRWOBN-WCQYABFASA-N 0 3 309.370 1.295 20 5 DDBDHN CN1CCC[C@@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000369353102 301170376 /nfs/dbraw/zinc/17/03/76/301170376.db2.gz BLYCICCETVHSGG-QGZVFWFLSA-N 0 3 318.421 1.807 20 5 DDBDHN C[C@H](CN1CCOCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369494863 301190808 /nfs/dbraw/zinc/19/08/08/301190808.db2.gz VHHITHKQHGVRQI-CYBMUJFWSA-N 0 3 323.397 1.149 20 5 DDBDHN CCCN1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000376307852 302061398 /nfs/dbraw/zinc/06/13/98/302061398.db2.gz QCLVJRIPKQUMSI-UHFFFAOYSA-N 0 3 307.354 1.130 20 5 DDBDHN CCc1n[nH]c(C(=O)N2CCC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000377656816 302205627 /nfs/dbraw/zinc/20/56/27/302205627.db2.gz OSPIAWPNAVHTCF-LLVKDONJSA-N 0 3 321.381 1.581 20 5 DDBDHN CCc1[nH]nc(C(=O)N2CCC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000377656816 302205631 /nfs/dbraw/zinc/20/56/31/302205631.db2.gz OSPIAWPNAVHTCF-LLVKDONJSA-N 0 3 321.381 1.581 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ncccc3[O-])C2)nc1 ZINC000565976313 308039907 /nfs/dbraw/zinc/03/99/07/308039907.db2.gz AWDCFFKUPHWXLH-NSHDSACASA-N 0 3 315.333 1.777 20 5 DDBDHN O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ncccc3[O-])C2)nc1 ZINC000565976313 308039908 /nfs/dbraw/zinc/03/99/08/308039908.db2.gz AWDCFFKUPHWXLH-NSHDSACASA-N 0 3 315.333 1.777 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCN1CCC(O)CC1 ZINC000569867662 308152166 /nfs/dbraw/zinc/15/21/66/308152166.db2.gz MXJCNSCZLCSTOG-HNNXBMFYSA-N 0 3 305.378 1.628 20 5 DDBDHN CC[C@H](O)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576876732 308346315 /nfs/dbraw/zinc/34/63/15/308346315.db2.gz VKICSLVAZWHMLT-LBPRGKRZSA-N 0 3 316.379 1.119 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000577172274 308367624 /nfs/dbraw/zinc/36/76/24/308367624.db2.gz NZKPBXRZSITQCZ-ZSBIGDGJSA-N 0 3 310.375 1.757 20 5 DDBDHN COCCN1CC[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000582795786 337169148 /nfs/dbraw/zinc/16/91/48/337169148.db2.gz AYEUKEDAFNURSV-IUODEOHRSA-N 0 3 305.378 1.892 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1CCCO ZINC000452344048 534333807 /nfs/dbraw/zinc/33/38/07/534333807.db2.gz CEPBCOXNDTVKRL-AWEZNQCLSA-N 0 3 321.377 1.480 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCOC1(C)C ZINC000451241626 534338409 /nfs/dbraw/zinc/33/84/09/534338409.db2.gz JWHGHHALQAERNX-ZDUSSCGKSA-N 0 3 307.350 1.999 20 5 DDBDHN CC(C)(CN1CCCC1)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000452099679 527080532 /nfs/dbraw/zinc/08/05/32/527080532.db2.gz XTSYPQYAFCDCQJ-UHFFFAOYSA-N 0 3 320.393 1.658 20 5 DDBDHN CCOC(=O)[C@@H]1NCC[C@@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000422747687 527896926 /nfs/dbraw/zinc/89/69/26/527896926.db2.gz ZJJNHARPLCVGQU-UONOGXRCSA-N 0 3 307.350 1.021 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000330890007 528548313 /nfs/dbraw/zinc/54/83/13/528548313.db2.gz BPXYYFSFWDHXDO-VHSXEESVSA-N 0 3 309.370 1.483 20 5 DDBDHN CC[C@@H](NC[C@H](O)Cn1ccnn1)c1cccc([N+](=O)[O-])c1 ZINC000414178797 529179305 /nfs/dbraw/zinc/17/93/05/529179305.db2.gz KFWRWNWYDVTUJK-UONOGXRCSA-N 0 3 305.338 1.288 20 5 DDBDHN CC[C@H]1CN(CCNCc2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000487158055 529294452 /nfs/dbraw/zinc/29/44/52/529294452.db2.gz MCHLTNMGIHXZOU-AWEZNQCLSA-N 0 3 323.393 1.804 20 5 DDBDHN CC[N@H+](CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)C ZINC000736536540 598352678 /nfs/dbraw/zinc/35/26/78/598352678.db2.gz LBECYSCQPOIHKU-UHFFFAOYSA-N 0 3 319.369 1.917 20 5 DDBDHN CC[N@@H+](CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)C ZINC000736536540 598352680 /nfs/dbraw/zinc/35/26/80/598352680.db2.gz LBECYSCQPOIHKU-UHFFFAOYSA-N 0 3 319.369 1.917 20 5 DDBDHN CC[N@H+](CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)C ZINC000736536540 598352682 /nfs/dbraw/zinc/35/26/82/598352682.db2.gz LBECYSCQPOIHKU-UHFFFAOYSA-N 0 3 319.369 1.917 20 5 DDBDHN CC[N@@H+](CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)C ZINC000736536540 598352685 /nfs/dbraw/zinc/35/26/85/598352685.db2.gz LBECYSCQPOIHKU-UHFFFAOYSA-N 0 3 319.369 1.917 20 5 DDBDHN C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000107491127 696631050 /nfs/dbraw/zinc/63/10/50/696631050.db2.gz PVHDRJFKGMYCEI-MVWJERBFSA-N 0 3 309.391 1.276 20 5 DDBDHN COc1ccccc1OCCN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176213668 697403138 /nfs/dbraw/zinc/40/31/38/697403138.db2.gz GPLUCOGAFNFJCG-UHFFFAOYSA-N 0 3 320.349 1.811 20 5 DDBDHN CCN(CC)CCS(=O)(=O)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000786949199 699181952 /nfs/dbraw/zinc/18/19/52/699181952.db2.gz VVEBBGXJSAZILX-UHFFFAOYSA-N 0 3 316.379 1.954 20 5 DDBDHN CC[C@H](CO)N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000737387116 699739341 /nfs/dbraw/zinc/73/93/41/699739341.db2.gz KYICRECKFYREMA-NXEZZACHSA-N 0 3 311.338 1.291 20 5 DDBDHN CN(C)C1(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1 ZINC000769627114 701250831 /nfs/dbraw/zinc/25/08/31/701250831.db2.gz ZTYZQTDNKJOAKF-UHFFFAOYSA-N 0 3 317.349 1.572 20 5 DDBDHN Cc1nn(CCC(=O)OCCN2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000770360566 701275347 /nfs/dbraw/zinc/27/53/47/701275347.db2.gz PDZIHXFQIBLNNM-UHFFFAOYSA-N 0 3 324.381 1.827 20 5 DDBDHN CC[C@@H]1CN(C)CCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000840093263 701965365 /nfs/dbraw/zinc/96/53/65/701965365.db2.gz IZTDFTPIHRKOCW-LLVKDONJSA-N 0 3 320.349 1.486 20 5 DDBDHN CC(COC(=O)CCC(=O)c1ccc(Cl)cn1)[N+](=O)[O-] ZINC000813102662 702290746 /nfs/dbraw/zinc/29/07/46/702290746.db2.gz IJOPFMOHMNXPFT-MRVPVSSYSA-N 0 3 300.698 1.906 20 5 DDBDHN CC(COC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C)[N+](=O)[O-] ZINC000813106481 702292816 /nfs/dbraw/zinc/29/28/16/702292816.db2.gz DCZJXJPERAEBCL-UWVGGRQHSA-N 0 3 318.395 1.533 20 5 DDBDHN CC(COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N+](=O)[O-] ZINC000813105826 702293280 /nfs/dbraw/zinc/29/32/80/702293280.db2.gz VDMUUWZGGYRIEN-QMMMGPOBSA-N 0 3 307.262 1.827 20 5 DDBDHN CC(COC(=O)c1ccccc1CN1CCOCC1)[N+](=O)[O-] ZINC000813105078 702293300 /nfs/dbraw/zinc/29/33/00/702293300.db2.gz JMJUZLOBUDFUMC-LBPRGKRZSA-N 0 3 308.334 1.341 20 5 DDBDHN COCCOc1cc(OC)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107577 702294282 /nfs/dbraw/zinc/29/42/82/702294282.db2.gz UCWLIUKERGBPFY-SNVBAGLBSA-N 0 3 313.306 1.542 20 5 DDBDHN CC(COC(=O)CCc1nnc(-c2ccccc2)o1)[N+](=O)[O-] ZINC000813113310 702298278 /nfs/dbraw/zinc/29/82/78/702298278.db2.gz PKGMXFVDBGVWOL-SNVBAGLBSA-N 0 3 305.290 1.878 20 5 DDBDHN CC[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000843090522 702816978 /nfs/dbraw/zinc/81/69/78/702816978.db2.gz YIIPTUIKWHBWPV-TUAOUCFPSA-N 0 3 322.283 1.920 20 5 DDBDHN CC([C@@H](OC(=O)c1cnnn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845876247 703211305 /nfs/dbraw/zinc/21/13/05/703211305.db2.gz BRJWDZFRWJHGMO-QPUJVOFHSA-N 0 3 308.269 1.518 20 5 DDBDHN CC([C@@H](OC(=O)[C@H]1COCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845873154 703211331 /nfs/dbraw/zinc/21/13/31/703211331.db2.gz BUOFEQXHVSTHEX-OASPWFOLSA-N 0 3 313.281 1.491 20 5 DDBDHN CC([C@H](OC(=O)CC1OCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845884085 703212340 /nfs/dbraw/zinc/21/23/40/703212340.db2.gz XHDCXWMWAUYPTC-XPTSAGLGSA-N 0 3 313.281 1.838 20 5 DDBDHN CC([C@H](OC(=O)[C@H]1CCC(=O)O1)c1ccccc1F)[N+](=O)[O-] ZINC000870454440 704043501 /nfs/dbraw/zinc/04/35/01/704043501.db2.gz KYKVWEBOWKBYTI-DYLAAIIWSA-N 0 3 311.265 1.781 20 5 DDBDHN O=[N+]([O-])c1cnn(CCNC[C@@H](O)c2cc(F)ccc2F)c1 ZINC000819177791 704082133 /nfs/dbraw/zinc/08/21/33/704082133.db2.gz VYHJQXGEORLTLA-CYBMUJFWSA-N 0 3 312.276 1.393 20 5 DDBDHN CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1CCN(CC)C1 ZINC000855490729 704487564 /nfs/dbraw/zinc/48/75/64/704487564.db2.gz KOJNWZXLZVHLCQ-SNVBAGLBSA-N 0 3 324.356 1.872 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000823100736 705139579 /nfs/dbraw/zinc/13/95/79/705139579.db2.gz IHNCATLRNQNNMQ-GXTWGEPZSA-N 0 3 303.362 1.988 20 5 DDBDHN CCN(C(=O)c1cc([N+](=O)[O-])ccc1N)C1CCN(C)CC1 ZINC000861892771 705597055 /nfs/dbraw/zinc/59/70/55/705597055.db2.gz RPGIKKZOGVRIAO-UHFFFAOYSA-N 0 3 306.366 1.733 20 5 DDBDHN O=[N+]([O-])c1cnn(C2CC(N[C@@H](CO)c3cccc(F)c3)C2)c1 ZINC000877035228 705967407 /nfs/dbraw/zinc/96/74/07/705967407.db2.gz FDSBIRYYZQEYJZ-PIMMBPRGSA-N 0 3 320.324 1.957 20 5 DDBDHN O=[N+]([O-])c1c(N[C@@H](CO)CN2CCCCC2)nc2ccccn21 ZINC000828162416 706130774 /nfs/dbraw/zinc/13/07/74/706130774.db2.gz CCRDHPGUHKJZNE-GFCCVEGCSA-N 0 3 319.365 1.501 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC2(CCCCO2)CC1 ZINC000880456180 706980502 /nfs/dbraw/zinc/98/05/02/706980502.db2.gz GCIGXXZVVNZDCI-UHFFFAOYSA-N 0 3 321.377 1.792 20 5 DDBDHN COC[C@@H](C)OC[C@H](O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000872230950 707339839 /nfs/dbraw/zinc/33/98/39/707339839.db2.gz ASBARUGRHANRIS-TZMCWYRMSA-N 0 3 312.366 1.405 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(C(=O)NOCCN(C)C)cc1Cl ZINC000836790750 707516015 /nfs/dbraw/zinc/51/60/15/707516015.db2.gz KIPWIZSSTMESJE-UHFFFAOYSA-N 0 3 301.730 1.780 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000883381109 707988624 /nfs/dbraw/zinc/98/86/24/707988624.db2.gz GPNSXDIUHFTZCJ-HAQNSBGRSA-N 0 3 312.391 1.877 20 5 DDBDHN CC[C@@H]1[C@@H](CO)CCN1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894686702 711238318 /nfs/dbraw/zinc/23/83/18/711238318.db2.gz ARUBDDFGDXGKMP-VXGBXAGGSA-N 0 3 310.350 1.902 20 5 DDBDHN C[C@]1(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CN2CCC1CC2 ZINC000912374599 711298932 /nfs/dbraw/zinc/29/89/32/711298932.db2.gz NYHCKZRYFIPOGF-HOCLYGCPSA-N 0 3 319.361 1.229 20 5 DDBDHN CN1CCC[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000918395546 713541489 /nfs/dbraw/zinc/54/14/89/713541489.db2.gz PUHJOSZXAQVVJL-LBPRGKRZSA-N 0 3 317.349 1.155 20 5 DDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=S)NC1CCN(C)CC1 ZINC000920308983 713660609 /nfs/dbraw/zinc/66/06/09/713660609.db2.gz LEJCWGYWSGXQDR-UHFFFAOYSA-N 0 3 322.434 1.995 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2cnn(CCF)c2)cc1 ZINC000921703938 713848619 /nfs/dbraw/zinc/84/86/19/713848619.db2.gz DUVGEPYXHFQNGR-AWEZNQCLSA-N 0 3 308.313 1.584 20 5 DDBDHN CCOC(=O)[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000932648671 714376331 /nfs/dbraw/zinc/37/63/31/714376331.db2.gz ZOGASRYZLCEIQH-GFCCVEGCSA-N 0 3 308.334 1.859 20 5 DDBDHN CCN(CC)CC(=O)N(CC)CCNc1ncccc1[N+](=O)[O-] ZINC001106776182 746058720 /nfs/dbraw/zinc/05/87/20/746058720.db2.gz VWTYZNQHABVTMF-UHFFFAOYSA-N 0 3 323.397 1.592 20 5 DDBDHN Cc1cc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001031663378 747338292 /nfs/dbraw/zinc/33/82/92/747338292.db2.gz YDMUWAXFSWREBR-CHWSQXEVSA-N 0 3 309.391 1.270 20 5 DDBDHN COC(=O)c1c(C)c([N+](=O)[O-])ccc1N[C@@H](C)[C@H]1CNCCO1 ZINC001170574645 768224586 /nfs/dbraw/zinc/22/45/86/768224586.db2.gz NGUWGOQPWWDAIS-GXFFZTMASA-N 0 3 323.349 1.479 20 5 DDBDHN Cc1conc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001146833289 772960295 /nfs/dbraw/zinc/96/02/95/772960295.db2.gz ANHJJTXUSBMFNL-UHFFFAOYSA-N 0 3 304.306 1.411 20 5 DDBDHN CCCN(C)CC(=O)NCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094517416 775975734 /nfs/dbraw/zinc/97/57/34/775975734.db2.gz QFDHKZWRZPEUIL-UHFFFAOYSA-N 0 3 309.370 1.250 20 5 DDBDHN CN(C)C[C@@H](CO)Nc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001120039957 781734883 /nfs/dbraw/zinc/73/48/83/781734883.db2.gz OMKXQAVTXSFXOL-JTQLQIEISA-N 0 3 324.768 1.553 20 5 DDBDHN O=C(NCCN(CCC(F)(F)F)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001266592030 836509362 /nfs/dbraw/zinc/50/93/62/836509362.db2.gz GHLUXVFOVWGTQX-NXEZZACHSA-N 0 3 309.288 1.185 20 5 DDBDHN CSc1nc(Cl)nc(-n2cnc(CN)c2)c1[N+](=O)[O-] ZINC001154910229 861559951 /nfs/dbraw/zinc/55/99/51/861559951.db2.gz YPSXOEZJECHEFT-UHFFFAOYSA-N 0 3 300.731 1.405 20 5 DDBDHN CC(C)[C@H](C(=O)OCC(C)[N+](=O)[O-])N1Cc2ccccc2C1=O ZINC001123042252 859068078 /nfs/dbraw/zinc/06/80/78/859068078.db2.gz KVBOPUPVNXJEAU-SMDDNHRTSA-N 0 3 320.345 1.875 20 5 DDBDHN O=C(CO[C@H]1CN2CCC1CC2)OCc1ccc([N+](=O)[O-])cc1 ZINC001224985771 881624656 /nfs/dbraw/zinc/62/46/56/881624656.db2.gz ABXVAEWIKBZYAC-HNNXBMFYSA-N 0 3 320.345 1.749 20 5 DDBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1ncc[nH]1 ZINC001157628679 863991082 /nfs/dbraw/zinc/99/10/82/863991082.db2.gz ORPCBSCWMFZXBF-UHFFFAOYSA-N 0 3 309.351 1.289 20 5 DDBDHN CN(C)CCONC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001330819228 864631368 /nfs/dbraw/zinc/63/13/68/864631368.db2.gz KXYPKPFBOLKCOY-UHFFFAOYSA-N 0 3 321.255 1.837 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1cc[nH]c1 ZINC001158603406 864753256 /nfs/dbraw/zinc/75/32/56/864753256.db2.gz LNEYFTLUDGTNIC-UHFFFAOYSA-N 0 3 302.334 1.833 20 5 DDBDHN CN1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1(C)C ZINC001331049709 864803673 /nfs/dbraw/zinc/80/36/73/864803673.db2.gz KTYLRLJMCLDMLE-UHFFFAOYSA-N 0 3 320.349 1.486 20 5 DDBDHN CCN1CCN(C[C@H](C)CNc2c(C)cncc2[N+](=O)[O-])CC1 ZINC001321133450 867341735 /nfs/dbraw/zinc/34/17/35/867341735.db2.gz MCCOIPOYWSTCRK-CYBMUJFWSA-N 0 3 321.425 1.406 20 5 DDBDHN COc1ccnc(N[C@H]2CCCC[C@@]23CNCCO3)c1[N+](=O)[O-] ZINC001163646867 868590476 /nfs/dbraw/zinc/59/04/76/868590476.db2.gz YUJDGZQHBKRBPP-SWLSCSKDSA-N 0 3 322.365 1.712 20 5 DDBDHN CCn1ncc(Br)c1C(=O)OCC(C)[N+](=O)[O-] ZINC001343651521 872701726 /nfs/dbraw/zinc/70/17/26/872701726.db2.gz QOIIUWZZIDFICZ-ZCFIWIBFSA-N 0 3 306.116 1.488 20 5 DDBDHN CN1CCCC[C@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001349853101 875414131 /nfs/dbraw/zinc/41/41/31/875414131.db2.gz RYOREFOJXUUJMS-ZDUSSCGKSA-N 0 3 309.341 1.877 20 5 DDBDHN C[C@H]1CC[C@H](Oc2[n-]c(=O)nc3cc([N+](=O)[O-])ccc32)C[NH2+]1 ZINC001218396898 877473421 /nfs/dbraw/zinc/47/34/21/877473421.db2.gz DSECNVJWXJWBTF-WPRPVWTQSA-N 0 3 304.306 1.763 20 5 DDBDHN O=C(N[C@@H]1COC2(CNC2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001357842772 880223983 /nfs/dbraw/zinc/22/39/83/880223983.db2.gz GRFZMKNNPFGVHE-QMMMGPOBSA-N 0 3 311.725 1.109 20 5 DDBDHN C[C@]1(CO)CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1O ZINC001254592068 896522706 /nfs/dbraw/zinc/52/27/06/896522706.db2.gz ABVXNTGSQXHNHO-HRCADAONSA-N 0 3 306.362 1.127 20 5 DDBDHN COC(=O)CO[C@H]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254609955 896529892 /nfs/dbraw/zinc/52/98/92/896529892.db2.gz GRMZEZKUBIZNCB-GJZGRUSLSA-N 0 3 320.345 1.326 20 5 DDBDHN CC(=O)N(C)[C@@H]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611675 896532776 /nfs/dbraw/zinc/53/27/76/896532776.db2.gz QZEULWTXESPNMS-CVEARBPZSA-N 0 3 303.362 1.615 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN[C@]2(CO)CCc3ccccc32)n1 ZINC000305744426 231036159 /nfs/dbraw/zinc/03/61/59/231036159.db2.gz UPXJIGFBKROKIN-HNNXBMFYSA-N 0 3 302.334 1.215 20 5 DDBDHN C[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000181706867 199341687 /nfs/dbraw/zinc/34/16/87/199341687.db2.gz ZXVGBDRWWXNVCC-STQMWFEESA-N 0 3 310.350 1.445 20 5 DDBDHN CN(C)[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)c1ccccc1 ZINC000160147477 290767691 /nfs/dbraw/zinc/76/76/91/290767691.db2.gz WTXOTIPJSMOTRX-GFCCVEGCSA-N 0 3 317.349 1.361 20 5 DDBDHN Cc1ccc(CN(CCO)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000181970426 199369159 /nfs/dbraw/zinc/36/91/59/199369159.db2.gz DSEUGHCRCDTNMS-UHFFFAOYSA-N 0 3 304.350 1.594 20 5 DDBDHN CNc1ccc(C(=O)NCC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000318333297 290814884 /nfs/dbraw/zinc/81/48/84/290814884.db2.gz YCGUGGIPNWTSOA-UHFFFAOYSA-N 0 3 306.366 1.851 20 5 DDBDHN CN(C)CCN(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000080389733 192155020 /nfs/dbraw/zinc/15/50/20/192155020.db2.gz JCOCZAUAOJBLKP-UHFFFAOYSA-N 0 3 308.382 1.807 20 5 DDBDHN Cc1cc(OCC(=O)N2CC[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000280548306 186510605 /nfs/dbraw/zinc/51/06/05/186510605.db2.gz MQXQAKSXBLTQAK-GFCCVEGCSA-N 0 3 307.350 1.445 20 5 DDBDHN CN(C)[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000068340622 353105137 /nfs/dbraw/zinc/10/51/37/353105137.db2.gz YIMVXIORNIVOFX-SNVBAGLBSA-N 0 3 310.329 1.482 20 5 DDBDHN CC(C)N1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000068779489 353129276 /nfs/dbraw/zinc/12/92/76/353129276.db2.gz RRIWGFGEYVVRJM-UHFFFAOYSA-N 0 3 321.377 1.916 20 5 DDBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@H](O)CN1CCOCC1 ZINC000073021807 353233099 /nfs/dbraw/zinc/23/30/99/353233099.db2.gz SNWGRWSVIZJDAK-BBRMVZONSA-N 0 3 323.393 1.281 20 5 DDBDHN CCOC[C@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174246759 198310237 /nfs/dbraw/zinc/31/02/37/198310237.db2.gz YOLKGONFMLIBIO-CQSZACIVSA-N 0 3 324.377 1.835 20 5 DDBDHN CCCN1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000074073836 353289728 /nfs/dbraw/zinc/28/97/28/353289728.db2.gz TTYZHIOJBMYPHF-UHFFFAOYSA-N 0 3 321.377 1.918 20 5 DDBDHN CC(C)(CCS(C)(=O)=O)NCc1cccc([N+](=O)[O-])c1 ZINC000174639024 198363163 /nfs/dbraw/zinc/36/31/63/198363163.db2.gz WJPWXILTKDPUFP-UHFFFAOYSA-N 0 3 300.380 1.898 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCN3C[C@H](O)C[C@H]3C2)c2ccncc21 ZINC000405209751 354677461 /nfs/dbraw/zinc/67/74/61/354677461.db2.gz HPLVGVCXYHONOI-NWDGAFQWSA-N 0 3 314.345 1.398 20 5 DDBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc2[nH]c(=O)oc2c1 ZINC000586791306 354865873 /nfs/dbraw/zinc/86/58/73/354865873.db2.gz PZMWXOGQINPJFJ-SECBINFHSA-N 0 3 317.305 1.989 20 5 DDBDHN C[C@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CN1C1CC1 ZINC000589584117 355002021 /nfs/dbraw/zinc/00/20/21/355002021.db2.gz GCANXYHTCVQIKG-CABZTGNLSA-N 0 3 306.366 1.706 20 5 DDBDHN CN(C(=O)CN1CC[C@@H]2CN(C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000590012324 355040181 /nfs/dbraw/zinc/04/01/81/355040181.db2.gz QWZXLAMFDMQCFV-DOMZBBRYSA-N 0 3 318.377 1.194 20 5 DDBDHN COc1ccc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590442356 355096719 /nfs/dbraw/zinc/09/67/19/355096719.db2.gz FNKLKDCVNYVVSW-AAEUAGOBSA-N 0 3 305.334 1.380 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000592247078 355547031 /nfs/dbraw/zinc/54/70/31/355547031.db2.gz RDWSVIXQTKUGDD-CYBMUJFWSA-N 0 3 307.350 1.673 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCc1ncn(C)n1 ZINC000592373187 355569416 /nfs/dbraw/zinc/56/94/16/355569416.db2.gz CNCOGERGPPGTJY-UHFFFAOYSA-N 0 3 319.365 1.844 20 5 DDBDHN CCCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C)C1 ZINC000592830308 355705896 /nfs/dbraw/zinc/70/58/96/355705896.db2.gz CSPWISRYVJKJMR-GFCCVEGCSA-N 0 3 309.370 1.124 20 5 DDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H]1CCS(=O)(=O)C1 ZINC000594489825 356235974 /nfs/dbraw/zinc/23/59/74/356235974.db2.gz FDZWDKHFPJWBPJ-MFKMUULPSA-N 0 3 310.375 1.606 20 5 DDBDHN CCN(C)C[C@H](O)COc1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000594571494 356252867 /nfs/dbraw/zinc/25/28/67/356252867.db2.gz HRDPKWLDIQWLGV-JTQLQIEISA-N 0 3 312.322 1.073 20 5 DDBDHN CS(=O)(=O)CC1(CCNCc2csc([N+](=O)[O-])c2)CC1 ZINC000594952623 356363053 /nfs/dbraw/zinc/36/30/53/356363053.db2.gz QFSKBVOGLPQOIE-UHFFFAOYSA-N 0 3 318.420 1.961 20 5 DDBDHN CN1CC[C@H]2OCCN(c3nc4sccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC000408028064 283158804 /nfs/dbraw/zinc/15/88/04/283158804.db2.gz CJENSKMOUNEANE-NXEZZACHSA-N 0 3 323.378 1.213 20 5 DDBDHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000595193281 356404165 /nfs/dbraw/zinc/40/41/65/356404165.db2.gz RUTDYVREINBROX-LBPRGKRZSA-N 0 3 320.349 1.134 20 5 DDBDHN CN(CC1=CCCOC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595746965 356633600 /nfs/dbraw/zinc/63/36/00/356633600.db2.gz HKKRKBGSQHPHNN-AWEZNQCLSA-N 0 3 322.361 1.613 20 5 DDBDHN CC[C@@H](C)[C@@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000236955531 202092467 /nfs/dbraw/zinc/09/24/67/202092467.db2.gz JKSBZNFYNNBZHD-IUODEOHRSA-N 0 3 320.393 1.617 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H]3COC[C@H]3C2)c1 ZINC000595826891 356665756 /nfs/dbraw/zinc/66/57/56/356665756.db2.gz AWPAMPVMNJOSFM-UMVBOHGHSA-N 0 3 322.361 1.303 20 5 DDBDHN Cc1c(CN)c(NC(=O)Cc2cccc([N+](=O)[O-])c2)nn1C ZINC000595959193 356724120 /nfs/dbraw/zinc/72/41/20/356724120.db2.gz CEJUOQUZTGXTTG-UHFFFAOYSA-N 0 3 303.322 1.277 20 5 DDBDHN COc1cc(N[C@@H](CO)CN(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596244977 356830534 /nfs/dbraw/zinc/83/05/34/356830534.db2.gz TUDLHULHATVCJT-MRVPVSSYSA-N 0 3 303.746 1.591 20 5 DDBDHN C[C@@H](CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])N(C)C ZINC000596424214 356874600 /nfs/dbraw/zinc/87/46/00/356874600.db2.gz DORJNWMLCCAFOD-JTQLQIEISA-N 0 3 315.395 1.750 20 5 DDBDHN CN(CC1CN(C)C1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000596452087 356883555 /nfs/dbraw/zinc/88/35/55/356883555.db2.gz BQWSAPBYIAAFAS-UHFFFAOYSA-N 0 3 303.322 1.241 20 5 DDBDHN CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000597944552 357393915 /nfs/dbraw/zinc/39/39/15/357393915.db2.gz FBKDZTXRTDRAII-CYBMUJFWSA-N 0 3 320.393 1.584 20 5 DDBDHN CCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000597944665 357394182 /nfs/dbraw/zinc/39/41/82/357394182.db2.gz DNJNTWHSVJCOPE-ZDUSSCGKSA-N 0 3 309.341 1.829 20 5 DDBDHN C[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000598648529 357668431 /nfs/dbraw/zinc/66/84/31/357668431.db2.gz UCQWXYUOKGHQGN-RDBSUJKOSA-N 0 3 324.377 1.285 20 5 DDBDHN COc1ccc(F)c(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000598729998 357706919 /nfs/dbraw/zinc/70/69/19/357706919.db2.gz QKKTWAMTRUECPC-LBPRGKRZSA-N 0 3 324.312 1.090 20 5 DDBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1(C)COC1 ZINC000599574055 357980374 /nfs/dbraw/zinc/98/03/74/357980374.db2.gz NDXJBNHZDCHPBR-CYBMUJFWSA-N 0 3 310.350 1.303 20 5 DDBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H]3COCCN3)o2)c1 ZINC000600678506 358280636 /nfs/dbraw/zinc/28/06/36/358280636.db2.gz RPUWFGFAXTYVFA-CYBMUJFWSA-N 0 3 317.345 1.933 20 5 DDBDHN CN1CC[C@@H](CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601114531 358407818 /nfs/dbraw/zinc/40/78/18/358407818.db2.gz QOZQLONNZWLNTL-ZETCQYMHSA-N 0 3 307.276 1.711 20 5 DDBDHN CN1CCC2(CC1)CC(=O)NN(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000601933041 358743816 /nfs/dbraw/zinc/74/38/16/358743816.db2.gz ABAUZUPOXAMIFN-UHFFFAOYSA-N 0 3 318.333 1.075 20 5 DDBDHN CCN[C@H](C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602430479 358970472 /nfs/dbraw/zinc/97/04/72/358970472.db2.gz NKLSFOXKXXIBDN-GFCCVEGCSA-N 0 3 306.366 1.241 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN(Cc1ccccc1)C[C@@H](C)O ZINC000602781559 359185807 /nfs/dbraw/zinc/18/58/07/359185807.db2.gz TVCIFOBKMGTBAA-CYBMUJFWSA-N 0 3 318.377 1.983 20 5 DDBDHN C[C@]12CN(Cc3ccc([N+](=O)[O-])cc3)C[C@]1(C)C(=O)NC2=O ZINC000602731569 359153983 /nfs/dbraw/zinc/15/39/83/359153983.db2.gz NHPPDELJUKVNEZ-HUUCEWRRSA-N 0 3 303.318 1.079 20 5 DDBDHN Cn1cc(CN[C@@H]2CCCC[C@H]2N2CCOCC2)c([N+](=O)[O-])n1 ZINC000602813893 359209287 /nfs/dbraw/zinc/20/92/87/359209287.db2.gz AKBASYCXCCPUAZ-ZIAGYGMSSA-N 0 3 323.397 1.061 20 5 DDBDHN C[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602930625 359300843 /nfs/dbraw/zinc/30/08/43/359300843.db2.gz IDILTDPBBBZSBQ-HZSPNIEDSA-N 0 3 324.377 1.427 20 5 DDBDHN C[C@](CO)(NCCCn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000602961530 359323890 /nfs/dbraw/zinc/32/38/90/359323890.db2.gz BHDUKAPHUGTZFL-OAHLLOKOSA-N 0 3 304.350 1.679 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCN(C)C1 ZINC000604229146 359728214 /nfs/dbraw/zinc/72/82/14/359728214.db2.gz DRQVBEICLPUGJU-JTQLQIEISA-N 0 3 308.338 1.819 20 5 DDBDHN COC1(CO)CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000618551717 363668689 /nfs/dbraw/zinc/66/86/89/363668689.db2.gz ODKFLWYNTKJUQI-UHFFFAOYSA-N 0 3 310.350 1.447 20 5 DDBDHN CNC(=O)c1ccc(N[C@H]2CCN(CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000609384324 360303379 /nfs/dbraw/zinc/30/33/79/360303379.db2.gz JDQLWRKFZMTUDE-ZDUSSCGKSA-N 0 3 318.377 1.851 20 5 DDBDHN C[C@H](NC(=O)[C@@H]1CN2CCN1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000611201351 360657723 /nfs/dbraw/zinc/65/77/23/360657723.db2.gz UAPCPWTVCHOIQV-WFASDCNBSA-N 0 3 318.377 1.162 20 5 DDBDHN O=[N+]([O-])c1cc2c(cc1CNCCN1CC=CCC1)OCCO2 ZINC000619433167 364007020 /nfs/dbraw/zinc/00/70/20/364007020.db2.gz ZWMYNCSDRIADNE-UHFFFAOYSA-N 0 3 319.361 1.718 20 5 DDBDHN COc1c(C(=O)N[C@H]2CCN(CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000619435626 364007451 /nfs/dbraw/zinc/00/74/51/364007451.db2.gz MCYGHVBJDRQVDH-LBPRGKRZSA-N 0 3 319.361 1.818 20 5 DDBDHN C[C@@H](NCC1(OCCO)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000282456859 217010507 /nfs/dbraw/zinc/01/05/07/217010507.db2.gz FUCNCXSCTNNAEP-CYBMUJFWSA-N 0 3 324.377 1.804 20 5 DDBDHN CC(C)CN(C(=O)Cn1ccc([N+](=O)[O-])n1)C1CCN(C)CC1 ZINC000265044991 204364107 /nfs/dbraw/zinc/36/41/07/204364107.db2.gz OBJFBLIRHJWAOR-UHFFFAOYSA-N 0 3 323.397 1.370 20 5 DDBDHN CN1C[C@H](N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000268863041 207030584 /nfs/dbraw/zinc/03/05/84/207030584.db2.gz RVQXHFSIBMMEQM-KGLIPLIRSA-N 0 3 303.362 1.736 20 5 DDBDHN CNC(=O)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065532366 184362028 /nfs/dbraw/zinc/36/20/28/184362028.db2.gz DSLSCYXPDBCZKH-UHFFFAOYSA-N 0 3 307.350 1.432 20 5 DDBDHN Cc1ccc([C@@H](C)NC(=O)C[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000269250694 207388176 /nfs/dbraw/zinc/38/81/76/207388176.db2.gz SMCWCTQMLHOZCK-DGCLKSJQSA-N 0 3 307.350 1.459 20 5 DDBDHN C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000154876438 197000450 /nfs/dbraw/zinc/00/04/50/197000450.db2.gz NZVJARWHISDWFN-NSHDSACASA-N 0 3 317.349 1.568 20 5 DDBDHN O=[N+]([O-])c1ccc(Cl)c(CNCCN2CCC(O)CC2)c1 ZINC000294723607 224193418 /nfs/dbraw/zinc/19/34/18/224193418.db2.gz BANPJEALBYRWQO-UHFFFAOYSA-N 0 3 313.785 1.795 20 5 DDBDHN Cc1n[nH]c(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000352820995 285320786 /nfs/dbraw/zinc/32/07/86/285320786.db2.gz RPDFTKVLHXIVLU-ZJUUUORDSA-N 0 3 309.370 1.477 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CNCC[C@@H]1C ZINC000193398588 291997651 /nfs/dbraw/zinc/99/76/51/291997651.db2.gz WVZPRUIPQATBIB-JOYOIKCWSA-N 0 3 313.379 1.180 20 5 DDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000090554572 407169560 /nfs/dbraw/zinc/16/95/60/407169560.db2.gz RXXQAWZWGBXOIU-YUELXQCFSA-N 0 3 321.377 1.502 20 5 DDBDHN CN(C)C(=O)CN1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000122444306 407300944 /nfs/dbraw/zinc/30/09/44/407300944.db2.gz CVECOLXWJAVZNB-UHFFFAOYSA-N 0 3 320.393 1.237 20 5 DDBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)CCN1CCOCC1 ZINC000112406703 407429164 /nfs/dbraw/zinc/42/91/64/407429164.db2.gz RITXUTUXHJPJBV-UHFFFAOYSA-N 0 3 323.393 1.628 20 5 DDBDHN CC[C@@H]1CCCCN1CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000113198163 407472858 /nfs/dbraw/zinc/47/28/58/407472858.db2.gz AZKZIYLUTIGOGI-GFCCVEGCSA-N 0 3 309.370 1.172 20 5 DDBDHN CCC[C@@](C)(N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000261750285 407600185 /nfs/dbraw/zinc/60/01/85/407600185.db2.gz OUDBXFFLQYRJFA-MRXNPFEDSA-N 0 3 320.393 1.761 20 5 DDBDHN CC(C)CN1CCC[C@@H]1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271326462 407636107 /nfs/dbraw/zinc/63/61/07/407636107.db2.gz AEIVBBQOSZJZOF-LLVKDONJSA-N 0 3 309.370 1.179 20 5 DDBDHN Cn1ccnc1[C@H]1CNCCN1Cc1csc([N+](=O)[O-])c1 ZINC000261846505 407637679 /nfs/dbraw/zinc/63/76/79/407637679.db2.gz XISWOKSAEAYJBL-LLVKDONJSA-N 0 3 307.379 1.536 20 5 DDBDHN C[C@@H]1OCC[C@]1(O)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000227966858 407642595 /nfs/dbraw/zinc/64/25/95/407642595.db2.gz GJRWTJZLXKFACD-ZANVPECISA-N 0 3 300.742 1.878 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC[NH2+]2)c1C ZINC000178921617 407658190 /nfs/dbraw/zinc/65/81/90/407658190.db2.gz ZZASWNVSNGFTMR-LLVKDONJSA-N 0 3 313.379 1.242 20 5 DDBDHN Cn1c(C(=O)NC[C@@H]2NCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000261915719 407668928 /nfs/dbraw/zinc/66/89/28/407668928.db2.gz QVZCVEVFYDVKJD-ZDUSSCGKSA-N 0 3 314.345 1.550 20 5 DDBDHN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN2CCC[C@@H]2C1 ZINC000171584484 407712222 /nfs/dbraw/zinc/71/22/22/407712222.db2.gz NBTVRIHNBQAFBW-HSBSLETESA-N 0 3 301.346 1.915 20 5 DDBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCN(C)C1CC1 ZINC000186758713 407767223 /nfs/dbraw/zinc/76/72/23/407767223.db2.gz FVECSPLNBAMNCT-LBPRGKRZSA-N 0 3 320.393 1.948 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1n[nH]c2c1CNCC2 ZINC000188190254 407923064 /nfs/dbraw/zinc/92/30/64/407923064.db2.gz WUCGELAZLYNAKM-UHFFFAOYSA-N 0 3 301.306 1.524 20 5 DDBDHN COC(=O)CNC(=O)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181823088 408044378 /nfs/dbraw/zinc/04/43/78/408044378.db2.gz LROSNFXTEBSZBN-NSHDSACASA-N 0 3 323.349 1.233 20 5 DDBDHN CN(C)Cc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1F ZINC000135191549 407988754 /nfs/dbraw/zinc/98/87/54/407988754.db2.gz OHHDZUAOJWFLMG-UHFFFAOYSA-N 0 3 321.312 1.449 20 5 DDBDHN C[C@@H]1CCC[C@H](CO)N1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000136170970 408086493 /nfs/dbraw/zinc/08/64/93/408086493.db2.gz KNVDZKVPTDSYKV-YUELXQCFSA-N 0 3 324.377 1.570 20 5 DDBDHN COc1ccc([C@@H](CCO)NCCn2ccc([N+](=O)[O-])n2)cc1 ZINC000182379618 408142429 /nfs/dbraw/zinc/14/24/29/408142429.db2.gz BTRHZBLOFSEAKJ-CQSZACIVSA-N 0 3 320.349 1.513 20 5 DDBDHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000246545905 408290454 /nfs/dbraw/zinc/29/04/54/408290454.db2.gz QMPVBLWYBQFYSK-PWSUYJOCSA-N 0 3 304.350 1.486 20 5 DDBDHN CCCNC(=O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176202478 408307356 /nfs/dbraw/zinc/30/73/56/408307356.db2.gz YKQAZBSKHMEZLS-UHFFFAOYSA-N 0 3 309.370 1.030 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000131260328 162010108 /nfs/dbraw/zinc/01/01/08/162010108.db2.gz QUWXKTNIJFDGNH-GFCCVEGCSA-N 0 3 317.349 1.359 20 5 DDBDHN CN(C)CCn1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000172914631 162309886 /nfs/dbraw/zinc/30/98/86/162309886.db2.gz XSBHGEDAKJLLTM-UHFFFAOYSA-N 0 3 317.349 1.534 20 5 DDBDHN NC(=O)C[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269631595 408368363 /nfs/dbraw/zinc/36/83/63/408368363.db2.gz FWXWSESOKRYCRB-BXUZGUMPSA-N 0 3 307.350 1.216 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000247506082 408483039 /nfs/dbraw/zinc/48/30/39/408483039.db2.gz XZVMHIZQSMTWGO-QMTHXVAHSA-N 0 3 306.366 1.757 20 5 DDBDHN Cn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000275555549 408598514 /nfs/dbraw/zinc/59/85/14/408598514.db2.gz NOPCJOVYQIPIIY-KBPBESRZSA-N 0 3 302.334 1.948 20 5 DDBDHN COc1cccc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000192690380 408631881 /nfs/dbraw/zinc/63/18/81/408631881.db2.gz CVCKGRKQBODRJU-WDEREUQCSA-N 0 3 319.361 1.958 20 5 DDBDHN C[C@@H]1C[C@@H](O)C[C@H](C)N1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249078353 408684673 /nfs/dbraw/zinc/68/46/73/408684673.db2.gz SEQAWAMGMUYOIR-NEBZKDRISA-N 0 3 324.377 1.568 20 5 DDBDHN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN2CCC1CC2 ZINC000188859148 163074188 /nfs/dbraw/zinc/07/41/88/163074188.db2.gz CFRZACRTWDKNOA-SNAWJCMRSA-N 0 3 301.346 1.915 20 5 DDBDHN CCN1CCC(Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000286055724 408915904 /nfs/dbraw/zinc/91/59/04/408915904.db2.gz ICEMBFFLISIZTR-UHFFFAOYSA-N 0 3 322.365 1.981 20 5 DDBDHN CN1CC[C@]2(CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000291991085 408957807 /nfs/dbraw/zinc/95/78/07/408957807.db2.gz QNWIQZFCGPSMDA-INIZCTEOSA-N 0 3 318.377 1.832 20 5 DDBDHN CN(C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000279344643 409196495 /nfs/dbraw/zinc/19/64/95/409196495.db2.gz DWEYSZJJYMXQSB-SECBINFHSA-N 0 3 310.329 1.482 20 5 DDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)C12CCCN1CCC2 ZINC000279284546 409184995 /nfs/dbraw/zinc/18/49/95/409184995.db2.gz XEYPEDUCQADULG-UHFFFAOYSA-N 0 3 303.362 1.882 20 5 DDBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1N1CCCC1 ZINC000295117242 409328552 /nfs/dbraw/zinc/32/85/52/409328552.db2.gz WGFDHTBDAIMQEO-QWHCGFSZSA-N 0 3 323.422 1.709 20 5 DDBDHN CC1(C)OCC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000295200477 409371971 /nfs/dbraw/zinc/37/19/71/409371971.db2.gz KSPNNWNGOCAHRM-CQSZACIVSA-N 0 3 319.361 1.641 20 5 DDBDHN CCN(CCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1)C1CC1 ZINC000280694065 409414709 /nfs/dbraw/zinc/41/47/09/409414709.db2.gz ZTXRDENAIZNTRM-UHFFFAOYSA-N 0 3 321.377 1.883 20 5 DDBDHN Cc1nn(C)c(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000408130119 164236933 /nfs/dbraw/zinc/23/69/33/164236933.db2.gz SVISMLNEOMLWSX-GXSJLCMTSA-N 0 3 309.370 1.191 20 5 DDBDHN CN1CC[C@@H]2CN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C[C@@H]21 ZINC000408471850 164342949 /nfs/dbraw/zinc/34/29/49/164342949.db2.gz XZAKUTJATYYOGI-SKDRFNHKSA-N 0 3 319.317 1.100 20 5 DDBDHN CCN(CCN1CCCCCC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000331562519 409642689 /nfs/dbraw/zinc/64/26/89/409642689.db2.gz TZJPZMDYAMRSJL-UHFFFAOYSA-N 0 3 323.397 1.666 20 5 DDBDHN Cn1nccc1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331583364 409663544 /nfs/dbraw/zinc/66/35/44/409663544.db2.gz JXSPGIIVHCIEDI-CHWSQXEVSA-N 0 3 304.354 1.798 20 5 DDBDHN CCCN(CCN1CCCCC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000342777390 409897012 /nfs/dbraw/zinc/89/70/12/409897012.db2.gz HZKSUTQUMUVBEI-UHFFFAOYSA-N 0 3 323.397 1.516 20 5 DDBDHN C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)CN1C ZINC000332228477 409993993 /nfs/dbraw/zinc/99/39/93/409993993.db2.gz LIEXJGVTLDXTAY-GHMZBOCLSA-N 0 3 303.366 1.996 20 5 DDBDHN C[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])N(C)C ZINC000298489812 410253234 /nfs/dbraw/zinc/25/32/34/410253234.db2.gz XOICACVGKJRPHR-JTQLQIEISA-N 0 3 306.366 1.849 20 5 DDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C)C(=O)N(C)C ZINC000357851013 410296856 /nfs/dbraw/zinc/29/68/56/410296856.db2.gz MXMUNAPCPSCMLY-GHMZBOCLSA-N 0 3 322.365 1.378 20 5 DDBDHN CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000347004999 410307273 /nfs/dbraw/zinc/30/72/73/410307273.db2.gz KVUFLNXKPUOMMR-AWEZNQCLSA-N 0 3 303.362 1.832 20 5 DDBDHN CCCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000343580045 410547682 /nfs/dbraw/zinc/54/76/82/410547682.db2.gz VPAPTCDIMFBNSN-SNVBAGLBSA-N 0 3 307.354 1.176 20 5 DDBDHN CCN1CCN([C@H](C)CNc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000301271965 410691126 /nfs/dbraw/zinc/69/11/26/410691126.db2.gz HUJHCTKWSBVCKH-CYBMUJFWSA-N 0 3 307.398 1.736 20 5 DDBDHN Cc1cc(OCC(=O)N[C@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000331201530 411014540 /nfs/dbraw/zinc/01/45/40/411014540.db2.gz QJKPRYYDDORZGF-OLZOCXBDSA-N 0 3 321.377 1.881 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000331216888 411021645 /nfs/dbraw/zinc/02/16/45/411021645.db2.gz PVNYOXLRRUJJDD-ZJUUUORDSA-N 0 3 309.370 1.654 20 5 DDBDHN C[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000353511969 411040874 /nfs/dbraw/zinc/04/08/74/411040874.db2.gz BXQMNSFPYRNQRZ-WFASDCNBSA-N 0 3 317.393 1.957 20 5 DDBDHN COc1ccc(OCCN2CC[C@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000361420922 418649415 /nfs/dbraw/zinc/64/94/15/418649415.db2.gz QECWKSOVMSGMPZ-AWEZNQCLSA-N 0 3 310.350 1.827 20 5 DDBDHN COCCN(C)C[C@H](O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000386741908 418741295 /nfs/dbraw/zinc/74/12/95/418741295.db2.gz XUPHWKGYNWYNRS-NSHDSACASA-N 0 3 318.757 1.566 20 5 DDBDHN CC(C)CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000411165451 418875478 /nfs/dbraw/zinc/87/54/78/418875478.db2.gz OTRSRKJFZSAWIW-UHFFFAOYSA-N 0 3 322.365 1.367 20 5 DDBDHN CN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000411201890 418879447 /nfs/dbraw/zinc/87/94/47/418879447.db2.gz MOVPPALESJMRHL-LSDHHAIUSA-N 0 3 303.362 1.909 20 5 DDBDHN CNC(=O)[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000411474398 418908128 /nfs/dbraw/zinc/90/81/28/418908128.db2.gz XRHUSBOCOOFKIG-AWEZNQCLSA-N 0 3 322.365 1.284 20 5 DDBDHN CON1CCC(N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000421205830 419522619 /nfs/dbraw/zinc/52/26/19/419522619.db2.gz HNGXLCYFCBPQHC-LLVKDONJSA-N 0 3 322.365 1.537 20 5 DDBDHN CN(C)[C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000413311344 419778228 /nfs/dbraw/zinc/77/82/28/419778228.db2.gz OOPGJTDHZVWEQJ-KBPBESRZSA-N 0 3 302.334 1.254 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-]C(C)(C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000431039277 229001082 /nfs/dbraw/zinc/00/10/82/229001082.db2.gz WPUBKWRKHMEOSS-UHFFFAOYSA-N 0 3 315.395 1.699 20 5 DDBDHN Cc1cc(OCC(=O)NCCN2CCCC2)ccc1[N+](=O)[O-] ZINC000431359322 229025015 /nfs/dbraw/zinc/02/50/15/229025015.db2.gz QQQIJWUEGKELIJ-UHFFFAOYSA-N 0 3 307.350 1.494 20 5 DDBDHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429770349 420045776 /nfs/dbraw/zinc/04/57/76/420045776.db2.gz FJKNWLRGAXBMCO-WDEREUQCSA-N 0 3 320.349 1.038 20 5 DDBDHN CCOc1ccc([C@H](C)NC[C@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000423520759 420071669 /nfs/dbraw/zinc/07/16/69/420071669.db2.gz QFVXIMRHQWMMAU-GXTWGEPZSA-N 0 3 322.409 1.548 20 5 DDBDHN C[C@H]1C[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CN1C1CC1 ZINC000420600826 420328237 /nfs/dbraw/zinc/32/82/37/420328237.db2.gz MTBCDJAUEDAGPE-UWVGGRQHSA-N 0 3 304.350 1.731 20 5 DDBDHN Cc1c(CC(=O)NCCNc2ccncc2)cccc1[N+](=O)[O-] ZINC000440124326 420555646 /nfs/dbraw/zinc/55/56/46/420555646.db2.gz USBATDCSWFESAU-UHFFFAOYSA-N 0 3 314.345 1.491 20 5 DDBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NC[C@@H](O)C(F)(F)F)n1 ZINC000447529597 420778171 /nfs/dbraw/zinc/77/81/71/420778171.db2.gz MDGYKSZSNPVGNU-OPRDCNLKSA-N 0 3 322.287 1.788 20 5 DDBDHN CO[C@@H]1COC[C@@H]1NCCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000459825646 420884805 /nfs/dbraw/zinc/88/48/05/420884805.db2.gz KZGHEZBDVRLOHY-GXTWGEPZSA-N 0 3 323.349 1.235 20 5 DDBDHN Cc1ccc(CNC[C@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000449388860 421004826 /nfs/dbraw/zinc/00/48/26/421004826.db2.gz BLIRAJAIMGUPEY-OAHLLOKOSA-N 0 3 307.394 1.840 20 5 DDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCCN(CCCO)C2)c(F)c1 ZINC000449396970 421007012 /nfs/dbraw/zinc/00/70/12/421007012.db2.gz NWIQMKKMOFQUFB-CYBMUJFWSA-N 0 3 311.357 1.670 20 5 DDBDHN CCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455466348 421018879 /nfs/dbraw/zinc/01/88/79/421018879.db2.gz AABVDRRUZKLNQC-UHFFFAOYSA-N 0 3 309.370 1.445 20 5 DDBDHN Nc1c(F)c(NC[C@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000450590408 421212963 /nfs/dbraw/zinc/21/29/63/421212963.db2.gz DREQMIUMMJHKAI-SNVBAGLBSA-N 0 3 312.345 1.575 20 5 DDBDHN Cc1nc(N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450539288 421207781 /nfs/dbraw/zinc/20/77/81/421207781.db2.gz JMAMGXCROZNZDX-NTZNESFSSA-N 0 3 305.382 1.860 20 5 DDBDHN O=C(c1ccc2c(c1)CNC2)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000563161343 421466119 /nfs/dbraw/zinc/46/61/19/421466119.db2.gz YOVUIDWSJPEKDC-UHFFFAOYSA-N 0 3 324.340 1.792 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCC(C)(C)N1CCCCC1 ZINC000516825819 421569899 /nfs/dbraw/zinc/56/98/99/421569899.db2.gz HAWFNNUJTKAYSV-UHFFFAOYSA-N 0 3 308.382 1.928 20 5 DDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000520778126 421762109 /nfs/dbraw/zinc/76/21/09/421762109.db2.gz ZFDPPBAMEGXEJA-LBPRGKRZSA-N 0 3 306.366 1.634 20 5 DDBDHN NC(=O)c1ccc(CN[C@@H](CO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000543840199 421842122 /nfs/dbraw/zinc/84/21/22/421842122.db2.gz RBDMOTAPRUPPCZ-AWEZNQCLSA-N 0 3 321.377 1.725 20 5 DDBDHN O=[N+]([O-])c1cnc2ccc(N[C@H]3CCCN4CCCC[C@H]34)nn21 ZINC000594602475 422352047 /nfs/dbraw/zinc/35/20/47/422352047.db2.gz QSPYHSOGWXNCFB-NWDGAFQWSA-N 0 3 316.365 2.066 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCCN([C@H](C)CO)CC2)n1 ZINC000345044330 272162387 /nfs/dbraw/zinc/16/23/87/272162387.db2.gz OIGMNGLTSBWUDT-CYBMUJFWSA-N 0 3 308.382 1.500 20 5 DDBDHN CNc1c(C(=O)N(C)C[C@@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000317213092 277301391 /nfs/dbraw/zinc/30/13/91/277301391.db2.gz AXIQEYMEIDAKBQ-NSHDSACASA-N 0 3 306.366 1.803 20 5 DDBDHN Cc1cc(N[C@@H]2CC[S@@](=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000340777950 280300381 /nfs/dbraw/zinc/30/03/81/280300381.db2.gz MKYCEQMBTZXCKQ-LADRHHBVSA-N 0 3 305.359 1.806 20 5 DDBDHN O=[N+]([O-])c1ccc(CNCC2(OCCO)CCOCC2)cc1 ZINC000282586162 280364336 /nfs/dbraw/zinc/36/43/36/280364336.db2.gz GJVPEMMUTOJTCK-UHFFFAOYSA-N 0 3 310.350 1.243 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCC23CCN(C)CC3)n1 ZINC000408073820 294309313 /nfs/dbraw/zinc/30/93/13/294309313.db2.gz XLDCFTUCRSTGFE-UHFFFAOYSA-N 0 3 307.354 1.029 20 5 DDBDHN CN(C)CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354009016 298337939 /nfs/dbraw/zinc/33/79/39/298337939.db2.gz KBRIUALPWCVKJN-UHFFFAOYSA-N 0 3 323.378 1.583 20 5 DDBDHN CCN(C)CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000354018279 298340857 /nfs/dbraw/zinc/34/08/57/298340857.db2.gz FGBPOYVYQXYVGG-UHFFFAOYSA-N 0 3 309.322 1.063 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc2c(c1)CNC2 ZINC000573954040 304624563 /nfs/dbraw/zinc/62/45/63/304624563.db2.gz QTSQAJIGKUJRLI-UHFFFAOYSA-N 0 3 315.333 1.732 20 5 DDBDHN CN1CCC[C@@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362762441 300133934 /nfs/dbraw/zinc/13/39/34/300133934.db2.gz JARWMHHVLVEUCH-SECBINFHSA-N 0 3 313.304 1.626 20 5 DDBDHN C[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000450547691 300298523 /nfs/dbraw/zinc/29/85/23/300298523.db2.gz OPGRZYWRURVHQF-LLVKDONJSA-N 0 3 318.377 1.614 20 5 DDBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000363904170 300323750 /nfs/dbraw/zinc/32/37/50/300323750.db2.gz LBUQBWLFSCICAU-GXFFZTMASA-N 0 3 319.365 1.128 20 5 DDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000376408523 302074858 /nfs/dbraw/zinc/07/48/58/302074858.db2.gz OOKQAIKSTXJTIW-MFKMUULPSA-N 0 3 319.365 1.271 20 5 DDBDHN CN(C)CC(C)(C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000416509647 302378434 /nfs/dbraw/zinc/37/84/34/302378434.db2.gz RUZAHKQKNOKRMB-UHFFFAOYSA-N 0 3 315.395 1.354 20 5 DDBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000119137727 303053012 /nfs/dbraw/zinc/05/30/12/303053012.db2.gz WQLLFYOWECAABU-LBPRGKRZSA-N 0 3 321.381 1.419 20 5 DDBDHN C[C@@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1 ZINC000577354988 308381045 /nfs/dbraw/zinc/38/10/45/308381045.db2.gz XFGBMCRAKXVYLJ-VXGBXAGGSA-N 0 3 322.365 1.365 20 5 DDBDHN Cc1nn(C)c(N2CCN(C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000582940395 337219944 /nfs/dbraw/zinc/21/99/44/337219944.db2.gz XYNFRDJSZJPTMR-LLVKDONJSA-N 0 3 307.398 1.947 20 5 DDBDHN Cc1ccc(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000452046072 533875798 /nfs/dbraw/zinc/87/57/98/533875798.db2.gz UZMSCMYTDBPDOW-INIZCTEOSA-N 0 3 318.377 1.901 20 5 DDBDHN C[C@H]1COCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000331926355 534022704 /nfs/dbraw/zinc/02/27/04/534022704.db2.gz CUZOQUDSTBRKHI-OCCSQVGLSA-N 0 3 310.350 1.303 20 5 DDBDHN CCC[C@H](NC[C@@H](O)Cn1ccnn1)c1cccc([N+](=O)[O-])c1 ZINC000414181884 528222591 /nfs/dbraw/zinc/22/25/91/528222591.db2.gz MMSHQBAUZLZFJM-CABCVRRESA-N 0 3 319.365 1.678 20 5 DDBDHN CCN1CCC(N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000318497743 528971268 /nfs/dbraw/zinc/97/12/68/528971268.db2.gz IVUMASDJHIILRR-UHFFFAOYSA-N 0 3 307.354 1.128 20 5 DDBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@H+](C)C1CC1 ZINC000736025458 598522763 /nfs/dbraw/zinc/52/27/63/598522763.db2.gz GXOQJEUSYRABMZ-VIFPVBQESA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@@H+](C)C1CC1 ZINC000736025458 598522764 /nfs/dbraw/zinc/52/27/64/598522764.db2.gz GXOQJEUSYRABMZ-VIFPVBQESA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@H+](C)C1CC1 ZINC000736025458 598522765 /nfs/dbraw/zinc/52/27/65/598522765.db2.gz GXOQJEUSYRABMZ-VIFPVBQESA-N 0 3 317.353 1.670 20 5 DDBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@@H+](C)C1CC1 ZINC000736025458 598522766 /nfs/dbraw/zinc/52/27/66/598522766.db2.gz GXOQJEUSYRABMZ-VIFPVBQESA-N 0 3 317.353 1.670 20 5 DDBDHN CC(=O)NCC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278805 698091286 /nfs/dbraw/zinc/09/12/86/698091286.db2.gz VYJIFRCRSKOKCU-MRXNPFEDSA-N 0 3 321.377 1.476 20 5 DDBDHN CS[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000759277646 700744720 /nfs/dbraw/zinc/74/47/20/700744720.db2.gz HLVMYFWOYRETPI-QWRGUYRKSA-N 0 3 321.406 1.724 20 5 DDBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCN(CCCCO)CC1 ZINC000769396490 701243511 /nfs/dbraw/zinc/24/35/11/701243511.db2.gz LNBYMVUEGOMQBR-FNORWQNLSA-N 0 3 319.405 1.998 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])[C@@H]2C1 ZINC000868519333 702174154 /nfs/dbraw/zinc/17/41/54/702174154.db2.gz AOSYIMLSSGVSQW-WCQYABFASA-N 0 3 307.325 1.439 20 5 DDBDHN CNC(=O)NC[C@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000879333679 706653128 /nfs/dbraw/zinc/65/31/28/706653128.db2.gz CMRHQRZYCXRUOO-OAHLLOKOSA-N 0 3 320.393 1.921 20 5 DDBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])cnc1Br ZINC000813104303 702292008 /nfs/dbraw/zinc/29/20/08/702292008.db2.gz MBRAOXURGVIFEZ-LURJTMIESA-N 0 3 319.111 1.675 20 5 DDBDHN CCc1ccc(S(C)(=O)=O)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106160 702292830 /nfs/dbraw/zinc/29/28/30/702292830.db2.gz ZQGCKXYXGUZKCH-SECBINFHSA-N 0 3 315.347 1.475 20 5 DDBDHN CC(COC(=O)CCc1nc(-c2cccs2)no1)[N+](=O)[O-] ZINC000813108463 702294794 /nfs/dbraw/zinc/29/47/94/702294794.db2.gz YPSQQKHTNITTDL-MRVPVSSYSA-N 0 3 311.319 1.939 20 5 DDBDHN COCCNCC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217525 706659962 /nfs/dbraw/zinc/65/99/62/706659962.db2.gz ABWFEJCUKPLEDG-UHFFFAOYSA-N 0 3 301.730 1.100 20 5 DDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000817679669 702449161 /nfs/dbraw/zinc/44/91/61/702449161.db2.gz VGRZZAXPJSTLFH-VIFPVBQESA-N 0 3 310.329 1.482 20 5 DDBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CCN[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000843473194 702888677 /nfs/dbraw/zinc/88/86/77/702888677.db2.gz IOAHMRQRIDDVGI-ZJUUUORDSA-N 0 3 322.321 1.634 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(C3(O)CC3)CC2)cc1 ZINC000844363121 703019727 /nfs/dbraw/zinc/01/97/27/703019727.db2.gz NLDZEQGUQAJKBH-OAHLLOKOSA-N 0 3 306.362 1.865 20 5 DDBDHN CC(C)(C)N1CC[C@@H]1COC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000845736055 703195023 /nfs/dbraw/zinc/19/50/23/703195023.db2.gz RHGDHDLHLZRSJK-LLVKDONJSA-N 0 3 324.381 1.942 20 5 DDBDHN CNc1nccc(C(=O)NCCN2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000848373717 703544683 /nfs/dbraw/zinc/54/46/83/703544683.db2.gz JJYRKYYHQIJQRT-SNVBAGLBSA-N 0 3 307.354 1.246 20 5 DDBDHN COC(=O)NC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000852769569 704119712 /nfs/dbraw/zinc/11/97/12/704119712.db2.gz XPOATTNLKPGLEZ-UHFFFAOYSA-N 0 3 307.350 1.958 20 5 DDBDHN O=C([N-]C[C@H]1CCC[NH2+]1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764084 704621779 /nfs/dbraw/zinc/62/17/79/704621779.db2.gz HMTILILVNNFYMO-SECBINFHSA-N 0 3 315.276 1.435 20 5 DDBDHN COc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000874848710 705202726 /nfs/dbraw/zinc/20/27/26/705202726.db2.gz GMDIGNFSLFCPRD-OLZOCXBDSA-N 0 3 319.361 1.912 20 5 DDBDHN CO[C@@H]1CN(C)[C@](C)(COC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000861343131 705435223 /nfs/dbraw/zinc/43/52/23/705435223.db2.gz YYEATNIWWZEMQO-NHYWBVRUSA-N 0 3 323.349 1.443 20 5 DDBDHN CCCN(CCN(C)C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825720473 705721974 /nfs/dbraw/zinc/72/19/74/705721974.db2.gz FMPDJVRWBDTTKF-AWEZNQCLSA-N 0 3 309.366 1.428 20 5 DDBDHN O=[N+]([O-])c1ncccc1CN[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000886164352 708708621 /nfs/dbraw/zinc/70/86/21/708708621.db2.gz IWZWRHSLSMJUPA-CABCVRRESA-N 0 3 320.393 1.723 20 5 DDBDHN O=[N+]([O-])c1ncccc1CN[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000886164355 708708625 /nfs/dbraw/zinc/70/86/25/708708625.db2.gz IWZWRHSLSMJUPA-LSDHHAIUSA-N 0 3 320.393 1.723 20 5 DDBDHN O=[N+]([O-])c1ncccc1CN[C@@H](C1CC1)C1(CO)CCOCC1 ZINC000886273838 708734253 /nfs/dbraw/zinc/73/42/53/708734253.db2.gz HISHDPYSOMVWFV-AWEZNQCLSA-N 0 3 321.377 1.647 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000892794938 710501249 /nfs/dbraw/zinc/50/12/49/710501249.db2.gz YUGHOPAPOCPHHI-HNNXBMFYSA-N 0 3 321.381 1.090 20 5 DDBDHN CN1C[C@H]2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@@H]2C1 ZINC000893939074 710893396 /nfs/dbraw/zinc/89/33/96/710893396.db2.gz HFDVBUMDOKJOLS-IAQYHMDHSA-N 0 3 316.361 1.620 20 5 DDBDHN COc1cc([C@H](C)NC[C@H]2CCCNC2=O)cc([N+](=O)[O-])c1 ZINC000903184475 711058509 /nfs/dbraw/zinc/05/85/09/711058509.db2.gz CJGQZRNOMQEKHF-WDEREUQCSA-N 0 3 307.350 1.780 20 5 DDBDHN CN1CC[C@H]1CNc1ccc([N+](=O)[O-])c(NC[C@@H]2CCN2C)n1 ZINC000895770306 711601597 /nfs/dbraw/zinc/60/15/97/711601597.db2.gz LUBOMHMXXRLYHB-RYUDHWBXSA-N 0 3 320.397 1.222 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCN1C1CCOCC1 ZINC000896523831 711738105 /nfs/dbraw/zinc/73/81/05/711738105.db2.gz QYPQENCWBGYVEF-CYBMUJFWSA-N 0 3 323.397 1.785 20 5 DDBDHN CSc1nnc(CCCNCC[N+](=O)[O-])n1C1CCCC1 ZINC000905038950 711916659 /nfs/dbraw/zinc/91/66/59/711916659.db2.gz DSGBNIYNXMVFCI-UHFFFAOYSA-N 0 3 313.427 1.914 20 5 DDBDHN O=C1C[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1CC1CC1 ZINC000905448190 712039820 /nfs/dbraw/zinc/03/98/20/712039820.db2.gz AKRYLCRVSQPVDO-UKRRQHHQSA-N 0 3 319.361 1.229 20 5 DDBDHN Cn1cc(COc2ccc3c(c2)OCCNC3)c([N+](=O)[O-])n1 ZINC000905612951 712095311 /nfs/dbraw/zinc/09/53/11/712095311.db2.gz JQQOVOMWWCGRAY-UHFFFAOYSA-N 0 3 304.306 1.389 20 5 DDBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000908350611 712749312 /nfs/dbraw/zinc/74/93/12/712749312.db2.gz ZUTSADOXPZLUGX-UFBFGSQYSA-N 0 3 324.768 1.607 20 5 DDBDHN CC[C@@H](CO)N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000915875842 713434240 /nfs/dbraw/zinc/43/42/40/713434240.db2.gz YQVUMCDZACJQMU-IUCAKERBSA-N 0 3 315.757 1.936 20 5 DDBDHN Cn1cc(CNCCn2cc([N+](=O)[O-])cn2)c(C2CCCC2)n1 ZINC000921862411 713888856 /nfs/dbraw/zinc/88/88/56/713888856.db2.gz OKEKQTLWEZCZTC-UHFFFAOYSA-N 0 3 318.381 1.972 20 5 DDBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1cocn1 ZINC001021896012 733648728 /nfs/dbraw/zinc/64/87/28/733648728.db2.gz SZXNWFUJQDDMJF-TXEJJXNPSA-N 0 3 316.317 1.633 20 5 DDBDHN Cn1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001125659338 735033175 /nfs/dbraw/zinc/03/31/75/735033175.db2.gz UVHYDRJERBSOLP-UHFFFAOYSA-N 0 3 302.334 1.453 20 5 DDBDHN CC(C)N(C)CC(=O)N(C)CCN(C)c1ncccc1[N+](=O)[O-] ZINC001105415354 741196952 /nfs/dbraw/zinc/19/69/52/741196952.db2.gz PYNCXHNZOVPHDQ-UHFFFAOYSA-N 0 3 323.397 1.225 20 5 DDBDHN O=C(CN1CCCC1)NC/C=C\CNc1ccc([N+](=O)[O-])cn1 ZINC001107201540 749555904 /nfs/dbraw/zinc/55/59/04/749555904.db2.gz TVTNJZCZEXLFKC-UPHRSURJSA-N 0 3 319.365 1.170 20 5 DDBDHN Cc1cccc(N2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169006708 762174741 /nfs/dbraw/zinc/17/47/41/762174741.db2.gz IZPVCCHTAXJZHB-GJZGRUSLSA-N 0 3 304.394 1.957 20 5 DDBDHN Nc1cccnc1N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036502 762191742 /nfs/dbraw/zinc/19/17/42/762191742.db2.gz GCOTTWWMVMNUMT-QWHCGFSZSA-N 0 3 305.382 1.231 20 5 DDBDHN Cc1ccc(N2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001169037234 762192659 /nfs/dbraw/zinc/19/26/59/762192659.db2.gz RGWNCWDKZKFRIK-GJZGRUSLSA-N 0 3 304.394 1.957 20 5 DDBDHN CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@H](C)[C@H]1CNCCO1 ZINC001170570885 768192177 /nfs/dbraw/zinc/19/21/77/768192177.db2.gz LSHKMUOLIYAVPI-ZWNOBZJWSA-N 0 3 323.349 1.560 20 5 DDBDHN C[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170576263 768249424 /nfs/dbraw/zinc/24/94/24/768249424.db2.gz ZOOUQTOLUYAFDI-YGRLFVJLSA-N 0 3 302.334 1.932 20 5 DDBDHN COc1ccc(C[C@H](C)NC2CN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170315901 766246252 /nfs/dbraw/zinc/24/62/52/766246252.db2.gz ZFFFUWMROWVBHA-JTQLQIEISA-N 0 3 307.350 1.355 20 5 DDBDHN Cc1noc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1C ZINC001130066417 767217539 /nfs/dbraw/zinc/21/75/39/767217539.db2.gz YGTSAJSSKIHTCM-UHFFFAOYSA-N 0 3 318.333 1.719 20 5 DDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1csc(=O)[nH]1 ZINC001132643671 769060573 /nfs/dbraw/zinc/06/05/73/769060573.db2.gz AZSSSMHBUYNJCM-UHFFFAOYSA-N 0 3 322.346 1.277 20 5 DDBDHN CCN(CC)CC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001135508533 771542002 /nfs/dbraw/zinc/54/20/02/771542002.db2.gz PUIVMHXTEUUQJH-UHFFFAOYSA-N 0 3 314.411 1.204 20 5 DDBDHN CNC(=O)N[C@H]1CCCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173235891 777063985 /nfs/dbraw/zinc/06/39/85/777063985.db2.gz CBLYZLMFSAWQKM-OCCSQVGLSA-N 0 3 320.393 1.919 20 5 DDBDHN NCc1cn(-c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)cn1 ZINC001154907233 861558923 /nfs/dbraw/zinc/55/89/23/861558923.db2.gz YKVXTEXQMUPSQS-UHFFFAOYSA-N 0 3 304.697 1.836 20 5 DDBDHN CCSCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001124130604 859594584 /nfs/dbraw/zinc/59/45/84/859594584.db2.gz PMHRGKMGFLNQID-UHFFFAOYSA-N 0 3 311.407 1.944 20 5 DDBDHN COC(=O)c1cnc(N2C[C@H]3CCCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001157266085 863695702 /nfs/dbraw/zinc/69/57/02/863695702.db2.gz NQEOHOJJWFQXQE-ZWNOBZJWSA-N 0 3 320.349 1.307 20 5 DDBDHN CCOc1nc(N2C[C@H]3[C@H](C2)CCCN3C)ccc1[N+](=O)[O-] ZINC001157271745 863701276 /nfs/dbraw/zinc/70/12/76/863701276.db2.gz JEPFBZOOKHSRLO-AAEUAGOBSA-N 0 3 306.366 1.919 20 5 DDBDHN CN1CCN(C(=N)Nc2ccc3c(cccc3[N+](=O)[O-])n2)CC1 ZINC001157915490 864256610 /nfs/dbraw/zinc/25/66/10/864256610.db2.gz ZHLNYNYGYBPNCU-UHFFFAOYSA-N 0 3 314.349 1.737 20 5 DDBDHN COCCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001154021881 864326136 /nfs/dbraw/zinc/32/61/36/864326136.db2.gz XGJNEGPGQDHPOX-UHFFFAOYSA-N 0 3 301.368 1.289 20 5 DDBDHN NCc1cnnn1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001158420096 864643281 /nfs/dbraw/zinc/64/32/81/864643281.db2.gz BBQNPBMBBSTTOC-UHFFFAOYSA-N 0 3 304.644 1.291 20 5 DDBDHN Cc1c([N+](=O)[O-])cc(C(=O)NOCCN(C)C)cc1[N+](=O)[O-] ZINC001331184368 864928627 /nfs/dbraw/zinc/92/86/27/864928627.db2.gz KFCCZKWBESTOPC-UHFFFAOYSA-N 0 3 312.282 1.034 20 5 DDBDHN C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@@H]1CNCCO1 ZINC001159496839 865347753 /nfs/dbraw/zinc/34/77/53/865347753.db2.gz LBQVXFPOQUORHW-ZANVPECISA-N 0 3 303.322 1.327 20 5 DDBDHN O=C(Cc1cnoc1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001164459438 869206028 /nfs/dbraw/zinc/20/60/28/869206028.db2.gz UDJIVRHEVSBDDE-UHFFFAOYSA-N 0 3 318.333 1.421 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001342216129 872077329 /nfs/dbraw/zinc/07/73/29/872077329.db2.gz UTMWCCVOWOSIFU-LBPRGKRZSA-N 0 3 319.361 1.381 20 5 DDBDHN COc1cncc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001353248235 877212975 /nfs/dbraw/zinc/21/29/75/877212975.db2.gz SONAVRIHZPONGO-OAHLLOKOSA-N 0 3 303.318 1.822 20 5 DDBDHN C[C@H](CNCCNc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC001356533276 879090694 /nfs/dbraw/zinc/09/06/94/879090694.db2.gz PUWBXTZAKHOIGE-SNVBAGLBSA-N 0 3 301.368 1.029 20 5 DDBDHN CCN1C[C@H](C)N(c2nnc(C[N+](=O)[O-])n2CC(C)C)C[C@H]1C ZINC001358057078 880309661 /nfs/dbraw/zinc/30/96/61/880309661.db2.gz HAQALPNFXSKUHY-OLZOCXBDSA-N 0 3 324.429 1.630 20 5 DDBDHN COC(=O)c1ccc(CO[C@@H]2CN3CCC2CC3)c([N+](=O)[O-])c1 ZINC001223413994 880951299 /nfs/dbraw/zinc/95/12/99/880951299.db2.gz SGSRFAHVIAYXIX-OAHLLOKOSA-N 0 3 320.345 1.992 20 5 DDBDHN CC(C)OCC(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001235109764 888415166 /nfs/dbraw/zinc/41/51/66/888415166.db2.gz OGPFECWTENAHSC-UHFFFAOYSA-N 0 3 323.393 1.958 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1COCCC12OCCO2 ZINC001254538367 896494424 /nfs/dbraw/zinc/49/44/24/896494424.db2.gz TVXZEBGMOIIWEF-DOMZBBRYSA-N 0 3 322.361 1.647 20 5 DDBDHN CONC(=O)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001262020783 899900641 /nfs/dbraw/zinc/90/06/41/899900641.db2.gz LRFOPXCNEWVGMP-UHFFFAOYSA-N 0 3 323.349 1.363 20 5 DDBDHN C[C@@H]1NC[C@H](C)N(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC001263202032 900531092 /nfs/dbraw/zinc/53/10/92/900531092.db2.gz QGIIAOGPNKBQOE-SRVKXCTJSA-N 0 3 307.350 1.571 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])s1)N1CCC2(CC1)CNCCO2 ZINC001263223900 900540936 /nfs/dbraw/zinc/54/09/36/900540936.db2.gz VWSGWBRDTTYPFK-UHFFFAOYSA-N 0 3 311.363 1.251 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)n1 ZINC000248676001 282099017 /nfs/dbraw/zinc/09/90/17/282099017.db2.gz TWCQAYSQYPHLMQ-QWRGUYRKSA-N 0 3 309.370 1.366 20 5 DDBDHN CC[C@H](NCCN1C(=O)N[C@H](C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000459392957 529601553 /nfs/dbraw/zinc/60/15/53/529601553.db2.gz XAHILMXUBKWYFG-MFKMUULPSA-N 0 3 320.349 1.576 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCSCC2)c1 ZINC000089984440 185274384 /nfs/dbraw/zinc/27/43/84/185274384.db2.gz CELYYVHIBGTSQA-ZDUSSCGKSA-N 0 3 312.391 1.773 20 5 DDBDHN COC(=O)[C@@H](C)CN(CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000090525102 185300166 /nfs/dbraw/zinc/30/01/66/185300166.db2.gz PQIDZLJHTAFJDT-NSHDSACASA-N 0 3 323.349 1.030 20 5 DDBDHN CCN1CCC[C@H]1CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000286746685 219142424 /nfs/dbraw/zinc/14/24/24/219142424.db2.gz FKHDCRIYPOHZAQ-NSHDSACASA-N 0 3 322.365 1.981 20 5 DDBDHN C[C@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000330897377 232145317 /nfs/dbraw/zinc/14/53/17/232145317.db2.gz HLLLYKIXJRLJSP-NWDGAFQWSA-N 0 3 307.350 1.573 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC(C)(C)CN(C)C ZINC000457904068 232149853 /nfs/dbraw/zinc/14/98/53/232149853.db2.gz RHCBDSUBSXYSSW-UHFFFAOYSA-N 0 3 324.381 1.743 20 5 DDBDHN C[C@H](NCCCS(=O)(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000341581490 282464912 /nfs/dbraw/zinc/46/49/12/282464912.db2.gz AMODLUHBMNQIKF-NSHDSACASA-N 0 3 315.395 1.527 20 5 DDBDHN C[C@@H](O)C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181869148 186212831 /nfs/dbraw/zinc/21/28/31/186212831.db2.gz NQFMQVSZCXLGJF-TZMCWYRMSA-N 0 3 324.377 1.427 20 5 DDBDHN O=C([C@@H]1CCCCN1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000194281188 186276257 /nfs/dbraw/zinc/27/62/57/186276257.db2.gz PYTOSZMIMRUJBG-HNNXBMFYSA-N 0 3 318.377 1.386 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000617352617 363067237 /nfs/dbraw/zinc/06/72/37/363067237.db2.gz DPBMKORTCROPSF-NSHDSACASA-N 0 3 307.350 1.675 20 5 DDBDHN CN1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000041362543 352304751 /nfs/dbraw/zinc/30/47/51/352304751.db2.gz IEERQKXKVQKNBH-UHFFFAOYSA-N 0 3 320.393 1.352 20 5 DDBDHN COc1ccc(C(=O)N2CCC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000068342228 353105572 /nfs/dbraw/zinc/10/55/72/353105572.db2.gz OOMRBIZTDRQLEB-LBPRGKRZSA-N 0 3 307.350 1.770 20 5 DDBDHN CC(C)C[C@@H](CN(C)C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000068224520 353097546 /nfs/dbraw/zinc/09/75/46/353097546.db2.gz JFXWZJXUJFQGCM-LBPRGKRZSA-N 0 3 311.386 1.274 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](c3ccccc3)C2)c1 ZINC000075675350 353375454 /nfs/dbraw/zinc/37/54/54/353375454.db2.gz LCKZXHWNLNPITC-ZBFHGGJFSA-N 0 3 316.361 1.642 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000077555748 353475698 /nfs/dbraw/zinc/47/56/98/353475698.db2.gz MPUMEBHXDNTISZ-ZDUSSCGKSA-N 0 3 321.377 1.964 20 5 DDBDHN CC(C)[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CCN1C ZINC000588032357 354896668 /nfs/dbraw/zinc/89/66/68/354896668.db2.gz WVWFPCXPAMNXHB-CQSZACIVSA-N 0 3 308.382 1.446 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588863025 354944408 /nfs/dbraw/zinc/94/44/08/354944408.db2.gz NYGMJSNDNLUBLN-ZIAGYGMSSA-N 0 3 319.361 1.184 20 5 DDBDHN CN(C)C[C@H](CO)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000588863808 354944498 /nfs/dbraw/zinc/94/44/98/354944498.db2.gz UNLFOROYELNLCY-GFCCVEGCSA-N 0 3 323.393 1.545 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590044136 355042601 /nfs/dbraw/zinc/04/26/01/355042601.db2.gz HGHYQLITGDWLKP-WCQYABFASA-N 0 3 305.334 1.136 20 5 DDBDHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000590590222 355122336 /nfs/dbraw/zinc/12/23/36/355122336.db2.gz WHCUEBOGGLBGOD-QWRGUYRKSA-N 0 3 313.379 1.308 20 5 DDBDHN CCOc1cc(CN(C[C@@H](C)O)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000276972768 213210996 /nfs/dbraw/zinc/21/09/96/213210996.db2.gz XFELUBQVIIKZMC-NWDGAFQWSA-N 0 3 312.366 1.557 20 5 DDBDHN CN1C[C@@H]2CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590446885 355099515 /nfs/dbraw/zinc/09/95/15/355099515.db2.gz WVSFCDSZUZUFFU-GXTWGEPZSA-N 0 3 319.361 1.526 20 5 DDBDHN CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000593056960 355782682 /nfs/dbraw/zinc/78/26/82/355782682.db2.gz BYHRPGHXFXGLCU-AWEZNQCLSA-N 0 3 321.352 1.972 20 5 DDBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CC(N2CC[C@@H](O)C2)C1 ZINC000593679840 355964979 /nfs/dbraw/zinc/96/49/79/355964979.db2.gz MWJKRRGYKLRDAX-UYWPIULCSA-N 0 3 303.362 1.359 20 5 DDBDHN CN(CCN1CCCCC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000593883411 356039836 /nfs/dbraw/zinc/03/98/36/356039836.db2.gz MUFFLBUCCABUIV-UHFFFAOYSA-N 0 3 320.393 1.951 20 5 DDBDHN Cc1nn(C)c(C(=O)N(C)CCN2CCCCC2)c1[N+](=O)[O-] ZINC000593884616 356040613 /nfs/dbraw/zinc/04/06/13/356040613.db2.gz UDRSRXWHOAUOHI-UHFFFAOYSA-N 0 3 309.370 1.195 20 5 DDBDHN COC(=O)[C@@H]1C[C@H]1[C@@H](C)NCc1cc([N+](=O)[O-])ccc1OC ZINC000594919637 356354136 /nfs/dbraw/zinc/35/41/36/356354136.db2.gz IEIVOAYASKSNQZ-JIMOISOXSA-N 0 3 308.334 1.891 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1N1CCC(N2CCCOCC2)CC1 ZINC000596269396 356838985 /nfs/dbraw/zinc/83/89/85/356838985.db2.gz SSNQBQNWZDMISK-UHFFFAOYSA-N 0 3 309.370 1.019 20 5 DDBDHN CCCN1CC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000598341580 357544503 /nfs/dbraw/zinc/54/45/03/357544503.db2.gz CVABFNGSDJPNQT-LBPRGKRZSA-N 0 3 306.366 1.607 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC(F)(F)CC2)c1 ZINC000599552235 357971224 /nfs/dbraw/zinc/97/12/24/357971224.db2.gz YRRQYGYJTZSDGV-LLVKDONJSA-N 0 3 304.297 1.273 20 5 DDBDHN CC1CCN(CCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000180930107 199229167 /nfs/dbraw/zinc/22/91/67/199229167.db2.gz NHJMKOVKVANKSJ-UHFFFAOYSA-N 0 3 306.366 1.639 20 5 DDBDHN CN(C)C1(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601175874 358434246 /nfs/dbraw/zinc/43/42/46/358434246.db2.gz RDZAHCDZMNWOPR-UHFFFAOYSA-N 0 3 307.276 1.853 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000601959803 358753717 /nfs/dbraw/zinc/75/37/17/358753717.db2.gz SHEDPSGHNMJXLX-OAHLLOKOSA-N 0 3 302.334 1.428 20 5 DDBDHN Cn1cc(CN2CCC[C@@H](N3CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000602707132 359137236 /nfs/dbraw/zinc/13/72/36/359137236.db2.gz CPDGQFNVZLCKQI-CQSZACIVSA-N 0 3 323.397 1.015 20 5 DDBDHN Cn1cc(CN2CCC(C)(N3CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000602726271 359151826 /nfs/dbraw/zinc/15/18/26/359151826.db2.gz PEACUPJCOTXLGG-UHFFFAOYSA-N 0 3 323.397 1.015 20 5 DDBDHN Cc1ccc(CN2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000602729681 359153464 /nfs/dbraw/zinc/15/34/64/359153464.db2.gz AZVKLXPMRINQKM-HZPDHXFCSA-N 0 3 317.345 1.388 20 5 DDBDHN CO[C@H](CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000602733101 359155351 /nfs/dbraw/zinc/15/53/51/359155351.db2.gz TUGOXEQDIPTDNH-DAXOMENPSA-N 0 3 324.377 1.443 20 5 DDBDHN CNC(=O)[C@]1(C)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000281062394 216053589 /nfs/dbraw/zinc/05/35/89/216053589.db2.gz KDJQBMTXJZSTDR-OAHLLOKOSA-N 0 3 307.350 1.432 20 5 DDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237529666 202272585 /nfs/dbraw/zinc/27/25/85/202272585.db2.gz PYIISFVIGGMCLO-DTWKUNHWSA-N 0 3 303.322 1.294 20 5 DDBDHN CN(C)CCn1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000604511192 359758859 /nfs/dbraw/zinc/75/88/59/359758859.db2.gz CFNPRXYBUHYEMI-UHFFFAOYSA-N 0 3 317.349 1.534 20 5 DDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000237605998 202301015 /nfs/dbraw/zinc/30/10/15/202301015.db2.gz VQQRLVNQKJUBIY-WDEREUQCSA-N 0 3 309.391 1.896 20 5 DDBDHN CCOc1cc(CN2CC[C@](C)(C(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000281140077 216105748 /nfs/dbraw/zinc/10/57/48/216105748.db2.gz OTAKGGSCUOPVQO-INIZCTEOSA-N 0 3 321.377 1.952 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@H]1CNc2ccnn2C1 ZINC000609406849 360305367 /nfs/dbraw/zinc/30/53/67/360305367.db2.gz WVHQLMBTGDNAOH-NSHDSACASA-N 0 3 317.349 1.631 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000609479007 360311701 /nfs/dbraw/zinc/31/17/01/360311701.db2.gz HJXOLPJPVPIJDT-SNVBAGLBSA-N 0 3 307.354 1.094 20 5 DDBDHN CC(C)[C@H](NCCn1ccc([N+](=O)[O-])n1)C(=O)N1CCCC1 ZINC000611395575 360710854 /nfs/dbraw/zinc/71/08/54/360710854.db2.gz PDSBMZZCUMKHMJ-ZDUSSCGKSA-N 0 3 309.370 1.028 20 5 DDBDHN C[NH2+]CC[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000193255367 201014422 /nfs/dbraw/zinc/01/44/22/201014422.db2.gz NNTMVKAPKWNZJB-UHFFFAOYSA-N 0 3 307.759 1.054 20 5 DDBDHN COc1ccc(OCCN[C@@H]2C(=O)NCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000193634103 201091839 /nfs/dbraw/zinc/09/18/39/201091839.db2.gz JHHADVMOVSGLBB-YGRLFVJLSA-N 0 3 323.349 1.096 20 5 DDBDHN O=[N+]([O-])c1cccc(OCCN2CCNC[C@H]2C(F)F)c1 ZINC000566242498 304131952 /nfs/dbraw/zinc/13/19/52/304131952.db2.gz TZUGSNZVLGDAPZ-LBPRGKRZSA-N 0 3 301.293 1.513 20 5 DDBDHN CN(CCCN1CCN(C)CC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000264662897 204062934 /nfs/dbraw/zinc/06/29/34/204062934.db2.gz WFDFOSDFABNHAM-UHFFFAOYSA-N 0 3 320.393 1.304 20 5 DDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1C ZINC000264956129 204300302 /nfs/dbraw/zinc/30/03/02/204300302.db2.gz YSWSUELVBOJRJJ-LBPRGKRZSA-N 0 3 306.366 1.485 20 5 DDBDHN CCN1CCC(NC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000266063001 205068137 /nfs/dbraw/zinc/06/81/37/205068137.db2.gz BHAHMBGYGINQBH-UHFFFAOYSA-N 0 3 320.393 1.921 20 5 DDBDHN CN(C[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000351543670 284369932 /nfs/dbraw/zinc/36/99/32/284369932.db2.gz SVCSBLYRIFPCGE-INIZCTEOSA-N 0 3 305.378 1.408 20 5 DDBDHN CN(C)CCOC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000351884114 284612085 /nfs/dbraw/zinc/61/20/85/284612085.db2.gz HAEZWTSUYYUKDW-UHFFFAOYSA-N 0 3 321.377 1.778 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2CC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000109621886 194277701 /nfs/dbraw/zinc/27/77/01/194277701.db2.gz KGKLFZGOYFPNKQ-LLVKDONJSA-N 0 3 321.381 1.581 20 5 DDBDHN O=[N+]([O-])c1cnc2ccc(N3CC[C@H](N4CC=CC4)C3)nn21 ZINC000302010362 285185517 /nfs/dbraw/zinc/18/55/17/285185517.db2.gz VYIOJRKTTFXDLD-NSHDSACASA-N 0 3 300.322 1.088 20 5 DDBDHN Cc1ccc([C@@H](C)NC[C@@H](O)Cn2ccnn2)cc1[N+](=O)[O-] ZINC000414178496 224309212 /nfs/dbraw/zinc/30/92/12/224309212.db2.gz KAWAWZJVGRTTIW-DGCLKSJQSA-N 0 3 305.338 1.206 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](O)Cn1ccnn1)CCC2 ZINC000414199937 224311395 /nfs/dbraw/zinc/31/13/95/224311395.db2.gz XBZXGUCBVKUGHF-UKRRQHHQSA-N 0 3 317.349 1.214 20 5 DDBDHN COc1c(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331520065 533392230 /nfs/dbraw/zinc/39/22/30/533392230.db2.gz NVPNIHAVQHHCIW-GWCFXTLKSA-N 0 3 319.361 1.816 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)Cn1ccnn1 ZINC000569081578 304334850 /nfs/dbraw/zinc/33/48/50/304334850.db2.gz CLZLJIVIVAWMJW-AAEUAGOBSA-N 0 3 305.338 1.206 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000292053778 286381355 /nfs/dbraw/zinc/38/13/55/286381355.db2.gz AEOWKPKPEGDIFX-MRXNPFEDSA-N 0 3 319.361 1.771 20 5 DDBDHN CC(C)[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000070447748 406817183 /nfs/dbraw/zinc/81/71/83/406817183.db2.gz MHSBUCLPBOJQJQ-SECBINFHSA-N 0 3 321.786 1.510 20 5 DDBDHN CCN1CCN([C@@H]2CCN(Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000107370053 407374242 /nfs/dbraw/zinc/37/42/42/407374242.db2.gz DHGJECQWDHSAGS-MRXNPFEDSA-N 0 3 318.421 1.807 20 5 DDBDHN CNC(=O)[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000111263946 407404112 /nfs/dbraw/zinc/40/41/12/407404112.db2.gz CDXXZQWHLZNYHW-LBPRGKRZSA-N 0 3 307.350 1.432 20 5 DDBDHN Cc1ccc(NC(=O)C(=O)N2CC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000170845438 407528086 /nfs/dbraw/zinc/52/80/86/407528086.db2.gz QEXVUKMYKJJVHO-LBPRGKRZSA-N 0 3 320.349 1.004 20 5 DDBDHN C[C@H](NCCCN1C(=O)CNC1=O)c1ccccc1[N+](=O)[O-] ZINC000266437724 407537944 /nfs/dbraw/zinc/53/79/44/407537944.db2.gz FXTNFIYAVWEDSF-JTQLQIEISA-N 0 3 306.322 1.187 20 5 DDBDHN Cc1nn(CCC(=O)N(C)C2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000171099790 407596865 /nfs/dbraw/zinc/59/68/65/407596865.db2.gz FFUIZDFFHNXKJT-UHFFFAOYSA-N 0 3 323.397 1.351 20 5 DDBDHN O=[N+]([O-])c1cccc(CN2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000129180659 407595749 /nfs/dbraw/zinc/59/57/49/407595749.db2.gz FDKQNZHKYSJMJK-HNNXBMFYSA-N 0 3 305.378 1.749 20 5 DDBDHN CN(CCOc1cccc([N+](=O)[O-])c1)CCc1cnccn1 ZINC000271401428 407669893 /nfs/dbraw/zinc/66/98/93/407669893.db2.gz XDOWOYRURJCESZ-UHFFFAOYSA-N 0 3 302.334 1.938 20 5 DDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000115436473 407681942 /nfs/dbraw/zinc/68/19/42/407681942.db2.gz MPUZIVRAPKGMKM-ZDUSSCGKSA-N 0 3 321.377 1.774 20 5 DDBDHN CC(C)[C@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236729231 407763923 /nfs/dbraw/zinc/76/39/23/407763923.db2.gz DIESKWIUJKRNAC-AWEZNQCLSA-N 0 3 306.366 1.227 20 5 DDBDHN CC(C)OC(=O)C[C@@H](NC(=O)CN)c1ccccc1[N+](=O)[O-] ZINC000236764240 407770335 /nfs/dbraw/zinc/77/03/35/407770335.db2.gz KXUCHIFYALNRIL-LLVKDONJSA-N 0 3 309.322 1.053 20 5 DDBDHN NC(=O)c1ccc(N2CCCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000171831411 407778287 /nfs/dbraw/zinc/77/82/87/407778287.db2.gz BJEZHKOAKRAZCD-UHFFFAOYSA-N 0 3 304.350 1.368 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@]3(CCOC3)C2)c1 ZINC000153605310 407860311 /nfs/dbraw/zinc/86/03/11/407860311.db2.gz AWLGLJXJMURAHC-HOCLYGCPSA-N 0 3 322.361 1.447 20 5 DDBDHN CN(C)C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000268203320 407946348 /nfs/dbraw/zinc/94/63/48/407946348.db2.gz UJPZUFOVKFJFGS-NSHDSACASA-N 0 3 322.321 1.669 20 5 DDBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000245419091 407971502 /nfs/dbraw/zinc/97/15/02/407971502.db2.gz GWEXASAPDQAIKV-UHOFOFEASA-N 0 3 316.361 1.845 20 5 DDBDHN COc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272544360 407976046 /nfs/dbraw/zinc/97/60/46/407976046.db2.gz CJDIWVPGXCXKDV-BXUZGUMPSA-N 0 3 319.361 1.770 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000268158906 407920637 /nfs/dbraw/zinc/92/06/37/407920637.db2.gz HNJFNEJZLORCAO-PRHODGIISA-N 0 3 322.340 1.529 20 5 DDBDHN CN(C)C[C@@H]1CCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000268197786 407941978 /nfs/dbraw/zinc/94/19/78/407941978.db2.gz SXYZEQHYPFVMSE-ZDUSSCGKSA-N 0 3 320.393 1.584 20 5 DDBDHN CN(C)CCN(Cc1cccs1)c1c([N+](=O)[O-])ncn1C ZINC000268372733 408015436 /nfs/dbraw/zinc/01/54/36/408015436.db2.gz ZAVKLKJMBIXSTO-UHFFFAOYSA-N 0 3 309.395 1.958 20 5 DDBDHN CCN(C)CCNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000121481530 408221213 /nfs/dbraw/zinc/22/12/13/408221213.db2.gz RTIFJYHIIYZQET-UHFFFAOYSA-N 0 3 322.365 1.218 20 5 DDBDHN CCC[C@@](C)(N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269197010 408232537 /nfs/dbraw/zinc/23/25/37/408232537.db2.gz TVJSBIOBCVJSHA-MRXNPFEDSA-N 0 3 320.393 1.761 20 5 DDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000170812608 162194090 /nfs/dbraw/zinc/19/40/90/162194090.db2.gz XSIKNWBJSYKYJZ-GFCCVEGCSA-N 0 3 304.350 1.487 20 5 DDBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCCC2)C1 ZINC000171449026 162219773 /nfs/dbraw/zinc/21/97/73/162219773.db2.gz VQVKVUMPZWAILU-AWEZNQCLSA-N 0 3 319.361 1.670 20 5 DDBDHN C[C@@H](NC[C@H](O)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000173363970 162333935 /nfs/dbraw/zinc/33/39/35/162333935.db2.gz NIBOYQRJFCWBAX-RISCZKNCSA-N 0 3 307.350 1.229 20 5 DDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000274543565 408445903 /nfs/dbraw/zinc/44/59/03/408445903.db2.gz UUUKGIOXRAHXEU-QMTHXVAHSA-N 0 3 306.366 1.589 20 5 DDBDHN CCN1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000264422585 408484240 /nfs/dbraw/zinc/48/42/40/408484240.db2.gz RJGMASGNSVJNIF-MRXNPFEDSA-N 0 3 304.394 1.811 20 5 DDBDHN C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)CCN1C ZINC000274660460 408485372 /nfs/dbraw/zinc/48/53/72/408485372.db2.gz YSMGRNGSUQXUFB-WDEREUQCSA-N 0 3 306.366 1.732 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H](N(C)C)C1 ZINC000264438490 408490360 /nfs/dbraw/zinc/49/03/60/408490360.db2.gz SGITWAXJAVPEEF-LBPRGKRZSA-N 0 3 309.370 1.042 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000161338415 408590196 /nfs/dbraw/zinc/59/01/96/408590196.db2.gz SLOBQXYPNJDLHK-JQWIXIFHSA-N 0 3 323.397 1.729 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](CCO)C(C)C ZINC000161824963 408643033 /nfs/dbraw/zinc/64/30/33/408643033.db2.gz MXOCWRSONQZWEX-ZDUSSCGKSA-N 0 3 309.366 1.838 20 5 DDBDHN C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N1CCC[C@@H](C)C1 ZINC000162085609 408669441 /nfs/dbraw/zinc/66/94/41/408669441.db2.gz DGUGWEBIWSYPPM-MNOVXSKESA-N 0 3 309.370 1.179 20 5 DDBDHN O=[N+]([O-])c1ccc(OC[C@@H]2CNCCO2)c(Br)c1 ZINC000164069503 408792858 /nfs/dbraw/zinc/79/28/58/408792858.db2.gz AKFXEVQVMYGJDP-VIFPVBQESA-N 0 3 317.139 1.725 20 5 DDBDHN C[C@H](C(=O)N1CC[C@@H](N(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185181854 408776448 /nfs/dbraw/zinc/77/64/48/408776448.db2.gz JKVPEECIOBHJNJ-CMPLNLGQSA-N 0 3 309.341 2.000 20 5 DDBDHN C[C@@H](C(=O)N1CC[C@@H](N(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185181873 408776465 /nfs/dbraw/zinc/77/64/65/408776465.db2.gz JKVPEECIOBHJNJ-ZYHUDNBSSA-N 0 3 309.341 2.000 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276501253 408871772 /nfs/dbraw/zinc/87/17/72/408871772.db2.gz JMWODCZBGYTLRB-XPTSAGLGSA-N 0 3 304.350 1.390 20 5 DDBDHN CO[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000281674567 408906955 /nfs/dbraw/zinc/90/69/55/408906955.db2.gz LWIYKCOUAJRHLT-HZSPNIEDSA-N 0 3 324.377 1.834 20 5 DDBDHN COC(=O)c1cc(C)nc(NCC2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000286118578 408926943 /nfs/dbraw/zinc/92/69/43/408926943.db2.gz FCVFGRYKGQRGSQ-UHFFFAOYSA-N 0 3 320.349 1.759 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCC[C@H]1CCO ZINC000286172937 408935668 /nfs/dbraw/zinc/93/56/68/408935668.db2.gz OSUQJYPACXBHMV-WFASDCNBSA-N 0 3 321.377 1.982 20 5 DDBDHN CCCN(CCN1CCCCC1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000286280861 408955180 /nfs/dbraw/zinc/95/51/80/408955180.db2.gz RFNPRCKBYCJTIF-UHFFFAOYSA-N 0 3 323.397 1.964 20 5 DDBDHN CCCN(CCN1CCCCC1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000286280861 408955183 /nfs/dbraw/zinc/95/51/83/408955183.db2.gz RFNPRCKBYCJTIF-UHFFFAOYSA-N 0 3 323.397 1.964 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000277643419 408983245 /nfs/dbraw/zinc/98/32/45/408983245.db2.gz UFVRNGWUAUUQHF-GFCCVEGCSA-N 0 3 307.350 1.770 20 5 DDBDHN CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CCN(C)CC1 ZINC000279201775 409169382 /nfs/dbraw/zinc/16/93/82/409169382.db2.gz LBWPLEALSNNZND-UHFFFAOYSA-N 0 3 310.329 1.482 20 5 DDBDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC000284108246 409276493 /nfs/dbraw/zinc/27/64/93/409276493.db2.gz NFLCIBYGDZCHFD-BXKDBHETSA-N 0 3 316.365 1.743 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](CO)[C@@H]1CCOC1 ZINC000280289008 409285323 /nfs/dbraw/zinc/28/53/23/409285323.db2.gz MLYKVLYAPJTEON-OCCSQVGLSA-N 0 3 324.377 1.728 20 5 DDBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000295301302 409422116 /nfs/dbraw/zinc/42/21/16/409422116.db2.gz BAYCGMBQQCINMP-ZDUSSCGKSA-N 0 3 323.397 1.418 20 5 DDBDHN C[C@@H]1CCCN(CCNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290575620 409449353 /nfs/dbraw/zinc/44/93/53/409449353.db2.gz UZNYAZYOIGUGDC-SNVBAGLBSA-N 0 3 307.354 1.233 20 5 DDBDHN Cc1nn(CCC(=O)N2CCN(C)CC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000354007556 409596257 /nfs/dbraw/zinc/59/62/57/409596257.db2.gz QNFNCIDYEPSWPI-LLVKDONJSA-N 0 3 323.397 1.351 20 5 DDBDHN CCN1C[C@@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000346185040 409850435 /nfs/dbraw/zinc/85/04/35/409850435.db2.gz GNBHNVMYNZQDTE-QWHCGFSZSA-N 0 3 308.382 1.171 20 5 DDBDHN CCN(CCNC(=O)c1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000338434503 409987301 /nfs/dbraw/zinc/98/73/01/409987301.db2.gz DFCDDBVDXLFVIN-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN CNS(=O)(=O)CCCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338344303 409926887 /nfs/dbraw/zinc/92/68/87/409926887.db2.gz AEWFTEVJGSTKIF-UHFFFAOYSA-N 0 3 315.395 1.008 20 5 DDBDHN COC(=O)[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000346609484 410034564 /nfs/dbraw/zinc/03/45/64/410034564.db2.gz CZPGRZWINQMHCX-RISCZKNCSA-N 0 3 308.334 1.857 20 5 DDBDHN Cc1cc(NC(=O)C(=O)NCCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000298250539 410152824 /nfs/dbraw/zinc/15/28/24/410152824.db2.gz UBZGETLSXHXEOO-UHFFFAOYSA-N 0 3 320.349 1.052 20 5 DDBDHN CCCCN1CCCC[C@H]1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357916703 410325067 /nfs/dbraw/zinc/32/50/67/410325067.db2.gz WSEVJZYYJYOOAN-LBPRGKRZSA-N 0 3 323.397 1.713 20 5 DDBDHN O=C(NCCCN1CCC(O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000298715822 410362683 /nfs/dbraw/zinc/36/26/83/410362683.db2.gz YRGFPOIAXUFAEM-UHFFFAOYSA-N 0 3 322.365 1.563 20 5 DDBDHN COC(=O)[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000298776305 410393849 /nfs/dbraw/zinc/39/38/49/410393849.db2.gz DCVSZQLNBCNSEK-NSHDSACASA-N 0 3 321.333 1.418 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCCN1C ZINC000343437281 410450338 /nfs/dbraw/zinc/45/03/38/410450338.db2.gz KYKOCKJMZVDLRB-QMTHXVAHSA-N 0 3 309.341 1.875 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCCN1C ZINC000343472002 410476329 /nfs/dbraw/zinc/47/63/29/410476329.db2.gz ZGDWPQBAXGHDIO-CHWSQXEVSA-N 0 3 320.393 1.630 20 5 DDBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000352186864 410534736 /nfs/dbraw/zinc/53/47/36/410534736.db2.gz OJQDLPLIFVPMMG-KBPBESRZSA-N 0 3 310.350 1.445 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@]1(OC)CCOC1 ZINC000359638051 410785975 /nfs/dbraw/zinc/78/59/75/410785975.db2.gz PTPGBBUTTQWWHI-OAHLLOKOSA-N 0 3 310.350 1.889 20 5 DDBDHN C[C@@H]1[C@H](C(F)(F)F)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000348288524 410900306 /nfs/dbraw/zinc/90/03/06/410900306.db2.gz WMCXNNYDUBSTDS-FBIMIBRVSA-N 0 3 322.287 1.425 20 5 DDBDHN Cn1cc([N+](=O)[O-])c(C(=O)NCCN2CCCC(C)(C)C2)n1 ZINC000331289826 411060598 /nfs/dbraw/zinc/06/05/98/411060598.db2.gz JKIVNEPSAIPXTK-UHFFFAOYSA-N 0 3 309.370 1.180 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCCN(C)C2)n1 ZINC000331208544 411016612 /nfs/dbraw/zinc/01/66/12/411016612.db2.gz PVKWYRCXJZNDRV-NSHDSACASA-N 0 3 309.370 1.225 20 5 DDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417232138 225257295 /nfs/dbraw/zinc/25/72/95/225257295.db2.gz LZFFDIXVFZYAPM-NWDGAFQWSA-N 0 3 306.366 1.529 20 5 DDBDHN C[C@H](CO)[C@H](C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295877177 225339684 /nfs/dbraw/zinc/33/96/84/225339684.db2.gz ZLTYKRRZFOLWKI-BDAKNGLRSA-N 0 3 315.757 1.793 20 5 DDBDHN CCCN1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000374850402 418568829 /nfs/dbraw/zinc/56/88/29/418568829.db2.gz LOZRRATYLGWPCI-UHFFFAOYSA-N 0 3 324.356 1.874 20 5 DDBDHN CN(C)CCOCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352360402 418644563 /nfs/dbraw/zinc/64/45/63/418644563.db2.gz NDFOJETWDNOUPD-UHFFFAOYSA-N 0 3 304.350 2.133 20 5 DDBDHN O=C(CCN1C[C@H]2[C@H](CO)[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000367849068 418645543 /nfs/dbraw/zinc/64/55/43/418645543.db2.gz LDLSXUFFZUUVSD-WDNDVIMCSA-N 0 3 305.334 1.094 20 5 DDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000367888856 418652952 /nfs/dbraw/zinc/65/29/52/418652952.db2.gz ZDBQZLCPIQNPTP-LLVKDONJSA-N 0 3 318.377 1.924 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(c2c[nH]cn2)CC1 ZINC000362064105 418747722 /nfs/dbraw/zinc/74/77/22/418747722.db2.gz PJIZUDSWTHYSEY-UHFFFAOYSA-N 0 3 317.349 1.359 20 5 DDBDHN COC(=O)[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000373184990 418931111 /nfs/dbraw/zinc/93/11/11/418931111.db2.gz YBYUHESSBVYYAU-GFCCVEGCSA-N 0 3 308.338 1.066 20 5 DDBDHN N[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1c1ccccc1F ZINC000424035678 228221825 /nfs/dbraw/zinc/22/18/25/228221825.db2.gz FXNMIARYOIYUQC-CMPLNLGQSA-N 0 3 319.292 1.894 20 5 DDBDHN CNC(=O)[C@H]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000420975176 419397517 /nfs/dbraw/zinc/39/75/17/419397517.db2.gz NUVULYASXZUUSE-NSHDSACASA-N 0 3 323.349 1.050 20 5 DDBDHN C[C@@H]1C[C@@H](CO)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000420948118 419375885 /nfs/dbraw/zinc/37/58/85/419375885.db2.gz VJWNIIKPZQWSPE-NFAWXSAZSA-N 0 3 324.377 1.285 20 5 DDBDHN CN(C[C@@H]1CCCN1C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000421706856 419692769 /nfs/dbraw/zinc/69/27/69/419692769.db2.gz VYWZMLRPSXHEID-ZDUSSCGKSA-N 0 3 320.393 1.949 20 5 DDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000421710852 419696367 /nfs/dbraw/zinc/69/63/67/419696367.db2.gz MPYIWBCGLGVTPM-NSHDSACASA-N 0 3 321.333 1.490 20 5 DDBDHN CN(C)CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000299390806 229092706 /nfs/dbraw/zinc/09/27/06/229092706.db2.gz JVKFYTXMUJTYLK-UHFFFAOYSA-N 0 3 317.349 1.386 20 5 DDBDHN C[C@H]1C[C@@H](O)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000429115374 419971840 /nfs/dbraw/zinc/97/18/40/419971840.db2.gz ODOFYSSOUUSZLX-RWMBFGLXSA-N 0 3 310.350 1.180 20 5 DDBDHN CCOc1ccc([C@H](C)NC[C@@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000423520760 420071537 /nfs/dbraw/zinc/07/15/37/420071537.db2.gz QFVXIMRHQWMMAU-JSGCOSHPSA-N 0 3 322.409 1.548 20 5 DDBDHN O=C(C[C@@H]1CNCCO1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423834770 420216941 /nfs/dbraw/zinc/21/69/41/420216941.db2.gz CUOKGXZBKCNSOV-LLVKDONJSA-N 0 3 313.741 1.243 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420454697 420297797 /nfs/dbraw/zinc/29/77/97/420297797.db2.gz WOLPCOCQUGDIJG-GHMZBOCLSA-N 0 3 313.379 1.309 20 5 DDBDHN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000420461894 420302403 /nfs/dbraw/zinc/30/24/03/420302403.db2.gz HENXWENSQXFFQW-JTQLQIEISA-N 0 3 301.368 1.227 20 5 DDBDHN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000442132922 420670457 /nfs/dbraw/zinc/67/04/57/420670457.db2.gz QKSDANHFBDIYED-PWSUYJOCSA-N 0 3 320.349 1.132 20 5 DDBDHN COCC[C@]1(NCCOc2ccccc2[N+](=O)[O-])CCOC1 ZINC000447405194 420772151 /nfs/dbraw/zinc/77/21/51/420772151.db2.gz WTYAGIZDVVZNJP-HNNXBMFYSA-N 0 3 310.350 1.759 20 5 DDBDHN CNc1nc(C(=O)N(C)C[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000455667259 421051515 /nfs/dbraw/zinc/05/15/15/421051515.db2.gz QDHNQBOSDJAKMX-LLVKDONJSA-N 0 3 321.381 1.445 20 5 DDBDHN CNc1nc(C(=O)N(C)CC2(N(C)C)CCC2)ccc1[N+](=O)[O-] ZINC000456019365 421090219 /nfs/dbraw/zinc/09/02/19/421090219.db2.gz FUIHWDPPXDESOI-UHFFFAOYSA-N 0 3 321.381 1.588 20 5 DDBDHN COc1cccc(C(=O)NC[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000559823907 421226711 /nfs/dbraw/zinc/22/67/11/421226711.db2.gz PAOFLCUBUYYQQA-NSHDSACASA-N 0 3 307.350 1.675 20 5 DDBDHN CC(C)(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000546088571 421284360 /nfs/dbraw/zinc/28/43/60/421284360.db2.gz RTXNPKBZMKBHFN-UHFFFAOYSA-N 0 3 321.381 1.518 20 5 DDBDHN Cc1ccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000552208563 421579943 /nfs/dbraw/zinc/57/99/43/421579943.db2.gz RVNUTAAKSUREGH-MRXNPFEDSA-N 0 3 319.361 1.090 20 5 DDBDHN COc1ccc(CC(=O)N2CCN3CCC2CC3)cc1[N+](=O)[O-] ZINC000530345430 421595632 /nfs/dbraw/zinc/59/56/32/421595632.db2.gz WPDIRFVTSOAFNY-UHFFFAOYSA-N 0 3 319.361 1.453 20 5 DDBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000520366850 421747166 /nfs/dbraw/zinc/74/71/66/421747166.db2.gz IUZCQOXOYSTCJD-NEPJUHHUSA-N 0 3 308.382 1.784 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](c2ccncc2)C1 ZINC000581139309 421908442 /nfs/dbraw/zinc/90/84/42/421908442.db2.gz ARDKMDVHDBZFPA-AWEZNQCLSA-N 0 3 314.345 1.641 20 5 DDBDHN CCc1nn(C)c(N2CCN(C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000574898174 422210554 /nfs/dbraw/zinc/21/05/54/422210554.db2.gz HEASUWOBIJBEAC-LLVKDONJSA-N 0 3 307.398 1.811 20 5 DDBDHN CC1(C)[C@@H](O)C[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000584002015 422239736 /nfs/dbraw/zinc/23/97/36/422239736.db2.gz IVIMEYYKTNBHAW-KBPBESRZSA-N 0 3 319.361 1.233 20 5 DDBDHN CN1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC12CCCCC2 ZINC000596251782 422371798 /nfs/dbraw/zinc/37/17/98/422371798.db2.gz XYUCSMSXBCZGPA-UHFFFAOYSA-N 0 3 306.370 1.422 20 5 DDBDHN O=[N+]([O-])c1cnc2ccc(NC[C@H]3CCN3C3CCCC3)nn21 ZINC000599164058 422402699 /nfs/dbraw/zinc/40/26/99/422402699.db2.gz IUZFWPGKDPPXFG-GFCCVEGCSA-N 0 3 316.365 2.066 20 5 DDBDHN CN1C[C@@H]2CCCN(C(=O)NCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000578884249 422669505 /nfs/dbraw/zinc/66/95/05/422669505.db2.gz WHEBMULGBAYNNT-DZGCQCFKSA-N 0 3 318.377 1.830 20 5 DDBDHN COc1cc(CNC[C@](C)(O)C2CC2)c([N+](=O)[O-])cc1OC ZINC000344415049 272019829 /nfs/dbraw/zinc/01/98/29/272019829.db2.gz YRSMGCQDFPGUEX-HNNXBMFYSA-N 0 3 310.350 1.863 20 5 DDBDHN C[C@H]1CC[C@H](C)N1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000345923102 272366289 /nfs/dbraw/zinc/36/62/89/272366289.db2.gz QJPUVYDDXVDPQP-STQMWFEESA-N 0 3 320.393 1.996 20 5 DDBDHN C[C@@H]1CCN[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000423185240 274308412 /nfs/dbraw/zinc/30/84/12/274308412.db2.gz NDWMHOWAEOTPAW-IAQYHMDHSA-N 0 3 303.362 1.868 20 5 DDBDHN CN(C)[C@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486932210 276874368 /nfs/dbraw/zinc/87/43/68/276874368.db2.gz USARCICMODUAPH-LBPRGKRZSA-N 0 3 303.322 1.785 20 5 DDBDHN CS(=O)(=O)CCCCCNCc1ccc([N+](=O)[O-])cc1 ZINC000185209623 278105235 /nfs/dbraw/zinc/10/52/35/278105235.db2.gz VPVSKNYNJYOJIF-UHFFFAOYSA-N 0 3 300.380 1.899 20 5 DDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC1(S(C)(=O)=O)CC1 ZINC000449296103 278298583 /nfs/dbraw/zinc/29/85/83/278298583.db2.gz XVLCHMXURLQPIG-NSHDSACASA-N 0 3 312.391 1.693 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000368596848 301062024 /nfs/dbraw/zinc/06/20/24/301062024.db2.gz WFOKGLZMQIUMCF-HZMBPMFUSA-N 0 3 307.325 1.900 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC[C@H]1CN(C)C ZINC000519142354 302834408 /nfs/dbraw/zinc/83/44/08/302834408.db2.gz IRXQOVMSRDDWBL-ZDUSSCGKSA-N 0 3 323.397 1.433 20 5 DDBDHN COC(=O)CC1(NCc2c([N+](=O)[O-])ncn2C)CCCCC1 ZINC000533068026 303306787 /nfs/dbraw/zinc/30/67/87/303306787.db2.gz VRXWFVDRQGKNNU-UHFFFAOYSA-N 0 3 310.354 1.684 20 5 DDBDHN C[C@H](O)[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000533539688 303320888 /nfs/dbraw/zinc/32/08/88/303320888.db2.gz GTLRIYNNDSIICG-KCQAQPDRSA-N 0 3 324.377 1.427 20 5 DDBDHN CCc1noc(CC)c1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000567684637 308089859 /nfs/dbraw/zinc/08/98/59/308089859.db2.gz NDHBTNYPCZFNKW-LLVKDONJSA-N 0 3 323.353 1.055 20 5 DDBDHN C[C@@H](C(=O)NCCOCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000573544268 308243726 /nfs/dbraw/zinc/24/37/26/308243726.db2.gz FJURIEUYMWNNOQ-GFCCVEGCSA-N 0 3 309.366 1.393 20 5 DDBDHN C[C@H](CN1CCOCC1)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577529764 308396355 /nfs/dbraw/zinc/39/63/55/308396355.db2.gz YZOQZTFUZDCTPP-IUODEOHRSA-N 0 3 305.378 1.892 20 5 DDBDHN C[C@@H]1COCCN1C1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000582853735 337210630 /nfs/dbraw/zinc/21/06/30/337210630.db2.gz LQKSSBKHMOUVHB-GFCCVEGCSA-N 0 3 323.397 1.013 20 5 DDBDHN CC(C)Oc1nc(NC[C@@H]2CSCCN2)ccc1[N+](=O)[O-] ZINC000603418627 483933983 /nfs/dbraw/zinc/93/39/83/483933983.db2.gz IBAIWXVBSXAMCO-SNVBAGLBSA-N 0 3 312.395 1.894 20 5 DDBDHN Cc1cc(C)n(CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000489020618 534108034 /nfs/dbraw/zinc/10/80/34/534108034.db2.gz UNAVDSMRYCSFDS-UHFFFAOYSA-N 0 3 318.381 1.942 20 5 DDBDHN CCCNC(=O)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157855274 519890253 /nfs/dbraw/zinc/89/02/53/519890253.db2.gz URGHYPCOUJIGRW-GFCCVEGCSA-N 0 3 309.370 1.030 20 5 DDBDHN CCCc1n[nH]c(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000330890006 528549600 /nfs/dbraw/zinc/54/96/00/528549600.db2.gz BPXYYFSFWDHXDO-UWVGGRQHSA-N 0 3 309.370 1.483 20 5 DDBDHN CC(C)[C@@H](NCc1c([N+](=O)[O-])ncn1C)C1(CO)CCCC1 ZINC000459547277 528590121 /nfs/dbraw/zinc/59/01/21/528590121.db2.gz VXIGOZNNMLEEEZ-CYBMUJFWSA-N 0 3 310.398 1.995 20 5 DDBDHN COc1ccc(CNC2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000036331932 696130629 /nfs/dbraw/zinc/13/06/29/696130629.db2.gz WVOSVQVAEWXNAL-UHFFFAOYSA-N 0 3 314.363 1.270 20 5 DDBDHN O=C1N[C@H]2CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2CO1 ZINC000799179864 700126786 /nfs/dbraw/zinc/12/67/86/700126786.db2.gz ZTBZGQUGFDAXPJ-KWCYVHTRSA-N 0 3 321.333 1.059 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](c3ccccn3)C2)c1 ZINC000799191557 700127671 /nfs/dbraw/zinc/12/76/71/700127671.db2.gz NAELIFJNSVYBRE-TZMCWYRMSA-N 0 3 317.349 1.037 20 5 DDBDHN CC(=O)NC[C@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580557 698120566 /nfs/dbraw/zinc/12/05/66/698120566.db2.gz WJWWKQOYHIPELB-CZUORRHYSA-N 0 3 321.377 1.476 20 5 DDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000776587138 698122485 /nfs/dbraw/zinc/12/24/85/698122485.db2.gz ULYPECVAELXWFB-ZNMIVQPWSA-N 0 3 324.402 1.835 20 5 DDBDHN COC(=O)[C@@]1(C)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776586978 698122504 /nfs/dbraw/zinc/12/25/04/698122504.db2.gz RTDPGTMBFZCJDY-ZFWWWQNUSA-N 0 3 308.334 1.513 20 5 DDBDHN CCN(CC)CCS(=O)(=O)Oc1ccccc1[N+](=O)[O-] ZINC000786934646 699181038 /nfs/dbraw/zinc/18/10/38/699181038.db2.gz PPJTTWPRELBPIM-UHFFFAOYSA-N 0 3 302.352 1.645 20 5 DDBDHN C[C@@H](CN1CCOCC1)N(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000789334034 699377832 /nfs/dbraw/zinc/37/78/32/699377832.db2.gz FUTRFFVAIWCMTP-XJKSGUPXSA-N 0 3 323.393 1.281 20 5 DDBDHN CCCc1n[nH]c(C(=O)NC[C@@H](C)N2CCCCC2)c1[N+](=O)[O-] ZINC000731808029 699537486 /nfs/dbraw/zinc/53/74/86/699537486.db2.gz BMLHPRAXQIAIGV-LLVKDONJSA-N 0 3 323.397 1.875 20 5 DDBDHN C[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000744385201 699947386 /nfs/dbraw/zinc/94/73/86/699947386.db2.gz MZKFFYHYVHAYNT-SWLSCSKDSA-N 0 3 316.361 1.772 20 5 DDBDHN COCCN(C)CCNC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000751918868 700326523 /nfs/dbraw/zinc/32/65/23/700326523.db2.gz IEXCISVKVAWYOC-SEYXRHQNSA-N 0 3 321.377 1.693 20 5 DDBDHN O=C(OCCn1ccc([N+](=O)[O-])n1)C1CCN(C2CC2)CC1 ZINC000801873574 700349384 /nfs/dbraw/zinc/34/93/84/700349384.db2.gz SMCQWZVNLZPMPQ-UHFFFAOYSA-N 0 3 308.338 1.209 20 5 DDBDHN Cc1ccc(CCC(=O)NCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813100005 702289927 /nfs/dbraw/zinc/28/99/27/702289927.db2.gz KAVDEEHDKRWLLY-GFCCVEGCSA-N 0 3 308.334 1.252 20 5 DDBDHN CC(COC(=O)c1ccccc1S[C@@H](C)C(N)=O)[N+](=O)[O-] ZINC000813101972 702291343 /nfs/dbraw/zinc/29/13/43/702291343.db2.gz MGPJIRUSJABTGA-IUCAKERBSA-N 0 3 312.347 1.475 20 5 DDBDHN Cc1ccccc1[C@H](CC(=O)OCC(C)[N+](=O)[O-])NC(N)=O ZINC000813109820 702296432 /nfs/dbraw/zinc/29/64/32/702296432.db2.gz PLZNUOOIDWJRQN-PWSUYJOCSA-N 0 3 309.322 1.303 20 5 DDBDHN CC([C@H](OC(=O)[C@H]1COCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845873155 703211471 /nfs/dbraw/zinc/21/14/71/703211471.db2.gz BUOFEQXHVSTHEX-WQAKAFBOSA-N 0 3 313.281 1.491 20 5 DDBDHN CC1(C)C[C@@H](O)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000879622167 706741909 /nfs/dbraw/zinc/74/19/09/706741909.db2.gz IHNSPQZQNGNIAU-OLZOCXBDSA-N 0 3 324.377 1.427 20 5 DDBDHN Cn1cc(COC(=O)C2CCN(C3CC3)CC2)c([N+](=O)[O-])n1 ZINC000847785811 703466540 /nfs/dbraw/zinc/46/65/40/703466540.db2.gz XDKOOANCRSHSFT-UHFFFAOYSA-N 0 3 308.338 1.246 20 5 DDBDHN CC(COC(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1)[N+](=O)[O-] ZINC000851037234 703774982 /nfs/dbraw/zinc/77/49/82/703774982.db2.gz SSFROPVLGPAEAQ-WDEREUQCSA-N 0 3 324.308 1.777 20 5 DDBDHN CC(COC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccc(F)c1)[N+](=O)[O-] ZINC000870377670 704014693 /nfs/dbraw/zinc/01/46/93/704014693.db2.gz RXDALAJNYBIHTI-BHYNMZESSA-N 0 3 324.308 1.554 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000856073447 704512223 /nfs/dbraw/zinc/51/22/23/704512223.db2.gz QACKRPOGOBSDBN-SECBINFHSA-N 0 3 310.329 1.530 20 5 DDBDHN [NH3+]C1(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CCC1 ZINC000857765792 704622306 /nfs/dbraw/zinc/62/23/06/704622306.db2.gz DOFYILQOTMEELA-UHFFFAOYSA-N 0 3 315.276 1.564 20 5 DDBDHN COCCN1CCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])n1C ZINC000861033124 705353566 /nfs/dbraw/zinc/35/35/66/705353566.db2.gz GOCCJCCNBWIVFG-NSHDSACASA-N 0 3 311.338 1.201 20 5 DDBDHN CCN1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825791308 705731341 /nfs/dbraw/zinc/73/13/41/705731341.db2.gz GDNNAJGYBRMXJC-CQSZACIVSA-N 0 3 307.350 1.182 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@](C)(O)c1ccccc1 ZINC000878728336 706482891 /nfs/dbraw/zinc/48/28/91/706482891.db2.gz LTSVJDSDYLHBRT-INIZCTEOSA-N 0 3 318.377 1.939 20 5 DDBDHN CN1CCC[C@H]2[C@H]1CCN2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880134673 706886162 /nfs/dbraw/zinc/88/61/62/706886162.db2.gz OIYAJPRLQNJLJW-CABCVRRESA-N 0 3 318.377 1.702 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCCN3CCO)c1 ZINC000897221631 708259556 /nfs/dbraw/zinc/25/95/56/708259556.db2.gz NXPCAXCOMKJUPJ-ZIAGYGMSSA-N 0 3 305.378 1.939 20 5 DDBDHN C[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000897683210 708418833 /nfs/dbraw/zinc/41/88/33/708418833.db2.gz ATSMIWYWIBSXOU-XHDPSFHLSA-N 0 3 316.361 1.808 20 5 DDBDHN CC(COC(=O)C[C@@H]1CCC2(CCOCC2)CO1)[N+](=O)[O-] ZINC000893046396 710546632 /nfs/dbraw/zinc/54/66/32/710546632.db2.gz ANRHDUKWNDCGPR-RYUDHWBXSA-N 0 3 301.339 1.561 20 5 DDBDHN COc1cc([C@H](C)NC[C@@H]2CCCNC2=O)cc([N+](=O)[O-])c1 ZINC000903184474 711058279 /nfs/dbraw/zinc/05/82/79/711058279.db2.gz CJGQZRNOMQEKHF-QWRGUYRKSA-N 0 3 307.350 1.780 20 5 DDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C)CCN(C)CC1 ZINC000933995525 714717417 /nfs/dbraw/zinc/71/74/17/714717417.db2.gz DKHCHTIIZQWYNC-CQSZACIVSA-N 0 3 306.410 1.835 20 5 DDBDHN CCN(CCO)CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935429748 715053239 /nfs/dbraw/zinc/05/32/39/715053239.db2.gz FJEUQCISPZCDKZ-CABCVRRESA-N 0 3 321.377 1.129 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000935724085 715122383 /nfs/dbraw/zinc/12/23/83/715122383.db2.gz HDDBLMDLJJRMPZ-GFCCVEGCSA-N 0 3 323.397 1.336 20 5 DDBDHN CCOC(=O)C(F)(F)CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001167852734 739072820 /nfs/dbraw/zinc/07/28/20/739072820.db2.gz YTEJGUROZJFXMG-UHFFFAOYSA-N 0 3 315.276 1.808 20 5 DDBDHN C[C@@H](Cc1cnccn1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001181264839 743130791 /nfs/dbraw/zinc/13/07/91/743130791.db2.gz AQDRQWDUECOUPJ-JTQLQIEISA-N 0 3 312.333 1.982 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001198685207 747576730 /nfs/dbraw/zinc/57/67/30/747576730.db2.gz HZUCEWJFBCCKJK-CABCVRRESA-N 0 3 321.377 1.790 20 5 DDBDHN Cc1c(CNCCn2cc([N+](=O)[O-])cn2)cccc1[N+](=O)[O-] ZINC001201192790 748431236 /nfs/dbraw/zinc/43/12/36/748431236.db2.gz YZXAHRYAFJILNW-UHFFFAOYSA-N 0 3 305.294 1.798 20 5 DDBDHN O=C(CN1CCCC1)NC/C=C\CNc1ncccc1[N+](=O)[O-] ZINC001107201482 749555657 /nfs/dbraw/zinc/55/56/57/749555657.db2.gz RODILLPAMOUZHV-UPHRSURJSA-N 0 3 319.365 1.170 20 5 DDBDHN CS(=O)(=O)c1ccccc1CN[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986962 762179537 /nfs/dbraw/zinc/17/95/37/762179537.db2.gz GQVOZIIQFFGKSJ-WCQYABFASA-N 0 3 312.391 1.625 20 5 DDBDHN C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@@H]1CNCCO1 ZINC001170570922 768192254 /nfs/dbraw/zinc/19/22/54/768192254.db2.gz OLUSDMDTPCGNAC-APPZFPTMSA-N 0 3 309.351 1.388 20 5 DDBDHN O=C(CCn1ccnc1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001132079609 768610173 /nfs/dbraw/zinc/61/01/73/768610173.db2.gz DDWLVFZSWDSDEP-UHFFFAOYSA-N 0 3 317.349 1.087 20 5 DDBDHN Cc1n[nH]cc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001132138795 768644012 /nfs/dbraw/zinc/64/40/12/768644012.db2.gz LBGOLLUVJXCIIE-UHFFFAOYSA-N 0 3 303.322 1.146 20 5 DDBDHN Cc1nocc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001133228086 769605747 /nfs/dbraw/zinc/60/57/47/769605747.db2.gz WTZJZNXUMIYUHY-UHFFFAOYSA-N 0 3 304.306 1.411 20 5 DDBDHN Cc1nc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC001135669520 771643906 /nfs/dbraw/zinc/64/39/06/771643906.db2.gz UKVVBZCMZLEPIX-UHFFFAOYSA-N 0 3 318.333 1.719 20 5 DDBDHN CN(C)C1(C(=O)NCCCNc2ccccc2[N+](=O)[O-])CCC1 ZINC001094622787 776141821 /nfs/dbraw/zinc/14/18/21/776141821.db2.gz UXFSJGYOLHBBDL-UHFFFAOYSA-N 0 3 320.393 1.997 20 5 DDBDHN CCN(C)C(C)(C)C(=O)NCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094639982 776161426 /nfs/dbraw/zinc/16/14/26/776161426.db2.gz LFLSXGHPOFYJGE-UHFFFAOYSA-N 0 3 323.397 1.638 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC(N(C)C)C2)c1F ZINC001173180797 777035685 /nfs/dbraw/zinc/03/56/85/777035685.db2.gz NGEYQZRHEPNZNT-SNVBAGLBSA-N 0 3 311.357 1.919 20 5 DDBDHN CN(C)CCONC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001328372556 862933473 /nfs/dbraw/zinc/93/34/73/862933473.db2.gz IBRBVKHPSNRUIM-UHFFFAOYSA-N 0 3 321.255 1.837 20 5 DDBDHN Cc1nn(CCC(=O)N2[C@H](C)CN[C@@H](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC001122182504 858704930 /nfs/dbraw/zinc/70/49/30/858704930.db2.gz VUIGWRZUCTXQQV-JFGNBEQYSA-N 0 3 323.397 1.396 20 5 DDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1cncnc1 ZINC001156981698 863497220 /nfs/dbraw/zinc/49/72/20/863497220.db2.gz HRMQFWRXVVULLW-UHFFFAOYSA-N 0 3 315.333 1.295 20 5 DDBDHN C[C@H](Nc1cnc2cc([N+](=O)[O-])ccc2n1)[C@@H]1CNCCO1 ZINC001159495088 865345291 /nfs/dbraw/zinc/34/52/91/865345291.db2.gz CLQCOKRGAPASJU-ZANVPECISA-N 0 3 303.322 1.327 20 5 DDBDHN C[C@H](Nc1ncnc2cccc([N+](=O)[O-])c21)[C@H]1CNCCO1 ZINC001159502431 865360970 /nfs/dbraw/zinc/36/09/70/865360970.db2.gz MXEPXAAQTURTNR-JOYOIKCWSA-N 0 3 303.322 1.327 20 5 DDBDHN O=[N+]([O-])c1cc(N[C@H]2CNCc3ccsc32)cn2cnnc12 ZINC001163230579 868235457 /nfs/dbraw/zinc/23/54/57/868235457.db2.gz PQFITEVRKBPSBX-JTQLQIEISA-N 0 3 316.346 1.955 20 5 DDBDHN COC(=O)[C@]1(C(=O)OCC(C)[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC001348532973 874618940 /nfs/dbraw/zinc/61/89/40/874618940.db2.gz HDSMZCXLQAUQNN-GMXABZIVSA-N 0 3 307.302 1.542 20 5 DDBDHN CN(CCCNC(=O)c1ccn[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001234244437 887785839 /nfs/dbraw/zinc/78/58/39/887785839.db2.gz ROIOIJMICICCTR-UHFFFAOYSA-N 0 3 317.349 1.570 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCC(N3CC[C@](F)(CO)C3)CC2)cc1 ZINC001254476367 896455918 /nfs/dbraw/zinc/45/59/18/896455918.db2.gz ONZYRJKUTMTQTC-MRXNPFEDSA-N 0 3 323.368 1.970 20 5 DDBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])C12CCCN1CCC2 ZINC000278570349 214243746 /nfs/dbraw/zinc/24/37/46/214243746.db2.gz NPJRVICHSXOSCX-UHFFFAOYSA-N 0 3 318.377 1.751 20 5 DDBDHN CCC[C@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015325 185278238 /nfs/dbraw/zinc/27/82/38/185278238.db2.gz MNTFJVYNIWFZAK-NSHDSACASA-N 0 3 315.395 1.651 20 5 DDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H](O)C(F)F ZINC000341365977 282447130 /nfs/dbraw/zinc/44/71/30/282447130.db2.gz RRAYGEDYLFSVET-LDYMZIIASA-N 0 3 317.292 1.528 20 5 DDBDHN C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)CN1 ZINC000272646698 210050408 /nfs/dbraw/zinc/05/04/08/210050408.db2.gz YLZWUTVXZBBIOA-ZJUUUORDSA-N 0 3 311.313 1.322 20 5 DDBDHN CN(C)CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000045164861 352405756 /nfs/dbraw/zinc/40/57/56/352405756.db2.gz VJKJRQOTEBYIJT-UHFFFAOYSA-N 0 3 320.393 1.489 20 5 DDBDHN COc1ccc(CC(=O)N[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000069397347 353160259 /nfs/dbraw/zinc/16/02/59/353160259.db2.gz XHXSNAHXZAJCCI-GFCCVEGCSA-N 0 3 319.361 1.499 20 5 DDBDHN COCCN1CCC[C@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000069528740 353165667 /nfs/dbraw/zinc/16/56/67/353165667.db2.gz BBBAJQHDBJYMDE-AWEZNQCLSA-N 0 3 321.377 1.364 20 5 DDBDHN CN(C)C[C@H](CO)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000588864661 354944031 /nfs/dbraw/zinc/94/40/31/354944031.db2.gz MAHQLYNNSVMBFI-SNVBAGLBSA-N 0 3 323.374 1.462 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588862582 354944146 /nfs/dbraw/zinc/94/41/46/354944146.db2.gz GNUWJJLRWMGECZ-UONOGXRCSA-N 0 3 319.361 1.184 20 5 DDBDHN CN1C[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000589941437 355033700 /nfs/dbraw/zinc/03/37/00/355033700.db2.gz INYUWYGNPWEOTJ-NOZJJQNGSA-N 0 3 308.313 1.902 20 5 DDBDHN COc1ccc(CC(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590044225 355042617 /nfs/dbraw/zinc/04/26/17/355042617.db2.gz ISKOCPSNGZIHLT-TZMCWYRMSA-N 0 3 319.361 1.308 20 5 DDBDHN COC(=O)c1ccnc(N[C@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000590582630 355120160 /nfs/dbraw/zinc/12/01/60/355120160.db2.gz BAINTBFDLMFLAY-JTQLQIEISA-N 0 3 308.338 1.671 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c1 ZINC000590442950 355097524 /nfs/dbraw/zinc/09/75/24/355097524.db2.gz IGLRAPYLOKYOIF-QMTHXVAHSA-N 0 3 305.334 1.380 20 5 DDBDHN Cc1ccccc1C1(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000592139335 355510046 /nfs/dbraw/zinc/51/00/46/355510046.db2.gz AIQKZJIHJJRXBQ-AWEZNQCLSA-N 0 3 316.361 1.740 20 5 DDBDHN CCN(C)C[C@@H](O)COc1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000594571495 356252652 /nfs/dbraw/zinc/25/26/52/356252652.db2.gz HRDPKWLDIQWLGV-SNVBAGLBSA-N 0 3 312.322 1.073 20 5 DDBDHN Cc1sc(S(=O)(=O)[N-]CC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000594822281 356327938 /nfs/dbraw/zinc/32/79/38/356327938.db2.gz VIHXRGNGWLUBNI-QMMMGPOBSA-N 0 3 321.424 1.583 20 5 DDBDHN O=[N+]([O-])c1cc(F)ccc1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000595336783 356453882 /nfs/dbraw/zinc/45/38/82/356453882.db2.gz RKOFXPJXAQZBEW-ZDUSSCGKSA-N 0 3 323.368 1.888 20 5 DDBDHN CS[C@H]1CN(Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000595403930 356480325 /nfs/dbraw/zinc/48/03/25/356480325.db2.gz NHAPSZBTMISFLL-ONGXEEELSA-N 0 3 300.384 1.369 20 5 DDBDHN COCC1(NCc2ccc([N+](=O)[O-])c(OC)c2)CCOCC1 ZINC000595502540 356521566 /nfs/dbraw/zinc/52/15/66/356521566.db2.gz ZFLKVRVRYRXDPF-UHFFFAOYSA-N 0 3 310.350 1.889 20 5 DDBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](Cn2ccnn2)C1 ZINC000595608844 356575711 /nfs/dbraw/zinc/57/57/11/356575711.db2.gz XJRAZMVJFXZACX-CYBMUJFWSA-N 0 3 317.349 1.587 20 5 DDBDHN COc1ccc(OCCN2CCC[C@@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000595766524 356643945 /nfs/dbraw/zinc/64/39/45/356643945.db2.gz OPCYQTCGDIKFMT-DGCLKSJQSA-N 0 3 310.350 1.827 20 5 DDBDHN N[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1F ZINC000595907132 356701089 /nfs/dbraw/zinc/70/10/89/356701089.db2.gz QVYDKBZJNPHLHL-GHMZBOCLSA-N 0 3 310.329 1.295 20 5 DDBDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CN1C1CC1 ZINC000596155928 356794155 /nfs/dbraw/zinc/79/41/55/356794155.db2.gz LMIOSNNLWHJNBY-ONGXEEELSA-N 0 3 304.350 1.731 20 5 DDBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](CO)CN(C)C ZINC000597654552 357270259 /nfs/dbraw/zinc/27/02/59/357270259.db2.gz TYXUCIHDGMYHRY-SNVBAGLBSA-N 0 3 315.757 1.209 20 5 DDBDHN CCCN1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000598342483 357545760 /nfs/dbraw/zinc/54/57/60/357545760.db2.gz JBUZRGUUVCDAOP-GFCCVEGCSA-N 0 3 307.350 1.574 20 5 DDBDHN CC(C)[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CCN1 ZINC000598569137 357635129 /nfs/dbraw/zinc/63/51/29/357635129.db2.gz AUMHHFYYHVZNMU-ZDUSSCGKSA-N 0 3 320.393 1.487 20 5 DDBDHN Cc1cc(NC[C@@H]2COCCN2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000599159400 357832696 /nfs/dbraw/zinc/83/26/96/357832696.db2.gz BKNZIBLRBVFVCR-CYBMUJFWSA-N 0 3 316.361 1.616 20 5 DDBDHN O=[N+]([O-])c1ccc2ccnc(NCCN3CC[C@@H](O)C3)c2c1 ZINC000599175713 357840592 /nfs/dbraw/zinc/84/05/92/357840592.db2.gz IZONVQPXFMCKKW-CYBMUJFWSA-N 0 3 302.334 1.622 20 5 DDBDHN O=C(NC[C@H]1CCN1C1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000600473127 358234350 /nfs/dbraw/zinc/23/43/50/358234350.db2.gz RFDADZSXFJXQNO-GFCCVEGCSA-N 0 3 304.350 1.737 20 5 DDBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC1CCN(C)CC1 ZINC000601101235 358402958 /nfs/dbraw/zinc/40/29/58/358402958.db2.gz UUKVMGVGHHNFDV-UHFFFAOYSA-N 0 3 307.276 1.853 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCC[C@H]1CCO ZINC000348155287 283393896 /nfs/dbraw/zinc/39/38/96/283393896.db2.gz BYFQUVZCXWMXOM-JSGCOSHPSA-N 0 3 321.377 1.982 20 5 DDBDHN Cn1cncc1CCCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602961466 359324173 /nfs/dbraw/zinc/32/41/73/359324173.db2.gz AEYPQKGSGRKXGG-MRXNPFEDSA-N 0 3 318.377 1.758 20 5 DDBDHN C[C@H](N[C@H]1C[C@H](O)C1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000565666776 304083364 /nfs/dbraw/zinc/08/33/64/304083364.db2.gz STZBYVURNRLREI-XDTLVQLUSA-N 0 3 307.350 1.671 20 5 DDBDHN COc1ccc(CNC(=O)N[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000604290929 359733211 /nfs/dbraw/zinc/73/32/11/359733211.db2.gz QWKPTCCSHRUJMQ-LBPRGKRZSA-N 0 3 322.365 1.497 20 5 DDBDHN CN1CCC[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000604532825 359762071 /nfs/dbraw/zinc/76/20/71/359762071.db2.gz NPZHTUREJKGCAC-LBPRGKRZSA-N 0 3 307.350 1.550 20 5 DDBDHN COc1cc(CN[C@@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000608782073 360241961 /nfs/dbraw/zinc/24/19/61/360241961.db2.gz SCKUNFSSKSTSMS-GFCCVEGCSA-N 0 3 309.366 1.796 20 5 DDBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(CC2CC2)C1 ZINC000609399947 360304638 /nfs/dbraw/zinc/30/46/38/360304638.db2.gz WQHFQAPPSRXFHA-CQSZACIVSA-N 0 3 318.377 1.878 20 5 DDBDHN CN1CCC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000609257952 360276999 /nfs/dbraw/zinc/27/69/99/360276999.db2.gz XMJKJWLLMUPOQT-GFCCVEGCSA-N 0 3 307.350 1.574 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCc3c2cccc3F)c1 ZINC000610336024 360415818 /nfs/dbraw/zinc/41/58/18/360415818.db2.gz FKYKRWUVFMQUSO-ABAIWWIYSA-N 0 3 320.324 1.568 20 5 DDBDHN COc1ccc(NC(=O)N[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000611826383 360836570 /nfs/dbraw/zinc/83/65/70/360836570.db2.gz HLKOQLWWOSHWHQ-NSHDSACASA-N 0 3 308.338 1.819 20 5 DDBDHN O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(C2CC2)C1 ZINC000359224452 299364037 /nfs/dbraw/zinc/36/40/37/299364037.db2.gz IKCVZFYGXOTTEJ-GFCCVEGCSA-N 0 3 304.350 1.631 20 5 DDBDHN CC[C@@H]1CCCCN1CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000265032561 204356187 /nfs/dbraw/zinc/35/61/87/204356187.db2.gz XOXVZKJKCPBUIV-LLVKDONJSA-N 0 3 309.370 1.621 20 5 DDBDHN NC(=O)[C@H](Cc1ccccc1)NCCc1ccccc1[N+](=O)[O-] ZINC000351439815 284325861 /nfs/dbraw/zinc/32/58/61/284325861.db2.gz HNSHIPZHAMUVKT-HNNXBMFYSA-N 0 3 313.357 1.824 20 5 DDBDHN C[C@H](NC[C@@H](O)COC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000271685689 209125586 /nfs/dbraw/zinc/12/55/86/209125586.db2.gz DIVNHBTUACFMHC-QWHCGFSZSA-N 0 3 324.377 1.802 20 5 DDBDHN CN(C[C@@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000351543671 284370117 /nfs/dbraw/zinc/37/01/17/284370117.db2.gz SVCSBLYRIFPCGE-MRXNPFEDSA-N 0 3 305.378 1.408 20 5 DDBDHN C[C@H]1C[C@@H](CO)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000288573632 220251889 /nfs/dbraw/zinc/25/18/89/220251889.db2.gz BLLUILYXXDOUDF-YDHLFZDLSA-N 0 3 324.377 1.427 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](N(C)C)C1 ZINC000109808337 194288497 /nfs/dbraw/zinc/28/84/97/194288497.db2.gz ZKNOSRGXCDIFNC-CQSZACIVSA-N 0 3 320.393 1.868 20 5 DDBDHN CCN1CCCC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000109966743 194300611 /nfs/dbraw/zinc/30/06/11/194300611.db2.gz VEHCQVZXAIHOKJ-ZDUSSCGKSA-N 0 3 323.397 1.480 20 5 DDBDHN CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000340472096 251071381 /nfs/dbraw/zinc/07/13/81/251071381.db2.gz AOIUPGQMHVSXAJ-NSHDSACASA-N 0 3 310.354 1.010 20 5 DDBDHN CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000340472096 251071386 /nfs/dbraw/zinc/07/13/86/251071386.db2.gz AOIUPGQMHVSXAJ-NSHDSACASA-N 0 3 310.354 1.010 20 5 DDBDHN Cc1nn(C)c(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000352869380 285348126 /nfs/dbraw/zinc/34/81/26/285348126.db2.gz WJXRSTUEQCBWKN-WDEREUQCSA-N 0 3 323.397 1.629 20 5 DDBDHN Cc1n[nH]c(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299529279 533667951 /nfs/dbraw/zinc/66/79/51/533667951.db2.gz LJMHPMTVSDYRGR-ZJUUUORDSA-N 0 3 309.370 1.477 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](O)Cn1ccnn1 ZINC000569081581 304334843 /nfs/dbraw/zinc/33/48/43/304334843.db2.gz CLZLJIVIVAWMJW-YPMHNXCESA-N 0 3 305.338 1.206 20 5 DDBDHN CCCc1n[nH]c(C(=O)NC[C@H]2CCCN2CC)c1[N+](=O)[O-] ZINC000069220834 406692164 /nfs/dbraw/zinc/69/21/64/406692164.db2.gz JPLWMAXQUJVQNB-SNVBAGLBSA-N 0 3 309.370 1.485 20 5 DDBDHN CCN1CCC(NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000029193520 406921535 /nfs/dbraw/zinc/92/15/35/406921535.db2.gz ZBUYJHOCGFRQHN-UHFFFAOYSA-N 0 3 306.366 1.851 20 5 DDBDHN CCCN(CCN(C)C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102490747 407323704 /nfs/dbraw/zinc/32/37/04/407323704.db2.gz RMKGZUHYLUKYJI-UHFFFAOYSA-N 0 3 311.386 1.327 20 5 DDBDHN Cc1c(NC(=O)CCN(CCO)C2CC2)cccc1[N+](=O)[O-] ZINC000067965664 407292202 /nfs/dbraw/zinc/29/22/02/407292202.db2.gz YQVBXQNFLFXOLK-UHFFFAOYSA-N 0 3 307.350 1.689 20 5 DDBDHN CCN1CCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000068011973 407293856 /nfs/dbraw/zinc/29/38/56/407293856.db2.gz NQJRFKWOPHTPNQ-JTQLQIEISA-N 0 3 310.329 1.530 20 5 DDBDHN O=C(Nc1ccncc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000124625385 407364150 /nfs/dbraw/zinc/36/41/50/407364150.db2.gz HJLFLELCFQATBR-UHFFFAOYSA-N 0 3 305.338 1.738 20 5 DDBDHN C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)N1[C@@H](C)CC[C@@H]1C ZINC000129965136 407640843 /nfs/dbraw/zinc/64/08/43/407640843.db2.gz RUTCSOCQJFSGIP-SRVKXCTJSA-N 0 3 309.370 1.169 20 5 DDBDHN C[C@@]1(CCCO)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000272064234 407762426 /nfs/dbraw/zinc/76/24/26/407762426.db2.gz XIJWNPQMJFRSDG-HNNXBMFYSA-N 0 3 309.366 1.384 20 5 DDBDHN CC[C@@H](C)[C@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000236905612 407782785 /nfs/dbraw/zinc/78/27/85/407782785.db2.gz YUDKLWYGBPVINC-DOMZBBRYSA-N 0 3 320.393 1.617 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCNC2CC2)c1C ZINC000237779352 407843066 /nfs/dbraw/zinc/84/30/66/407843066.db2.gz PLNRINLHSTZLCX-UHFFFAOYSA-N 0 3 313.379 1.242 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268261560 407975693 /nfs/dbraw/zinc/97/56/93/407975693.db2.gz ZJLIJBMCKPXAKK-GZMMTYOYSA-N 0 3 307.354 1.093 20 5 DDBDHN CNC(=O)c1ccc(N[C@H]2CN(C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000268171912 407925908 /nfs/dbraw/zinc/92/59/08/407925908.db2.gz QTWXJGVYMYZILG-HZMBPMFUSA-N 0 3 318.377 1.849 20 5 DDBDHN CNC(=O)CC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000175040863 408037233 /nfs/dbraw/zinc/03/72/33/408037233.db2.gz KUGTWSRCZGSDAI-UHFFFAOYSA-N 0 3 321.377 1.822 20 5 DDBDHN C[C@@H](CS(C)(=O)=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272564461 407984869 /nfs/dbraw/zinc/98/48/69/407984869.db2.gz FENIVWAFVWKIPZ-VIFPVBQESA-N 0 3 320.798 1.813 20 5 DDBDHN COc1ccc(NC(=O)CCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000122187688 408263705 /nfs/dbraw/zinc/26/37/05/408263705.db2.gz RHSIRTPMCHKUNA-UHFFFAOYSA-N 0 3 322.365 1.179 20 5 DDBDHN COc1ccc(OCCN2C[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000190892592 408338982 /nfs/dbraw/zinc/33/89/82/408338982.db2.gz LFXAKBUVMMJIAF-NEPJUHHUSA-N 0 3 310.350 1.542 20 5 DDBDHN O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2)C1 ZINC000171441911 162218140 /nfs/dbraw/zinc/21/81/40/162218140.db2.gz QQRWRKHDFDPVQT-CQSZACIVSA-N 0 3 319.361 1.670 20 5 DDBDHN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN2CCC[C@@H]2C1 ZINC000171584550 162226265 /nfs/dbraw/zinc/22/62/65/162226265.db2.gz TYDHVVOLCGIPTR-LQYUOIDQSA-N 0 3 301.346 1.915 20 5 DDBDHN C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N(C)C ZINC000270201213 408483301 /nfs/dbraw/zinc/48/33/01/408483301.db2.gz CEZUKGLXFANBBT-JTQLQIEISA-N 0 3 304.350 1.685 20 5 DDBDHN Cc1c(C(=O)NC[C@@H](O)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000160673630 408509371 /nfs/dbraw/zinc/50/93/71/408509371.db2.gz CBEBNCOOSXWGAY-CYBMUJFWSA-N 0 3 321.377 1.480 20 5 DDBDHN CCCc1n[nH]c(C(=O)N(C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000265611378 408711163 /nfs/dbraw/zinc/71/11/63/408711163.db2.gz HEEVMHHYRUXMMQ-UHFFFAOYSA-N 0 3 309.370 1.437 20 5 DDBDHN CCCc1[nH]nc(C(=O)N(C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000265611378 408711169 /nfs/dbraw/zinc/71/11/69/408711169.db2.gz HEEVMHHYRUXMMQ-UHFFFAOYSA-N 0 3 309.370 1.437 20 5 DDBDHN CC(C)[C@@H](CCO)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000162196449 408679127 /nfs/dbraw/zinc/67/91/27/408679127.db2.gz MUZBIMLARIIAQE-CABCVRRESA-N 0 3 321.377 1.697 20 5 DDBDHN O=C(CCN1CCC[C@@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185167431 408773021 /nfs/dbraw/zinc/77/30/21/408773021.db2.gz IBMMZVQTLRBKMH-LLVKDONJSA-N 0 3 311.313 1.519 20 5 DDBDHN Cc1c(CC(=O)N2CCN3CCC2CC3)cccc1[N+](=O)[O-] ZINC000188627918 163060207 /nfs/dbraw/zinc/06/02/07/163060207.db2.gz OUUOFAIFTXBPPG-UHFFFAOYSA-N 0 3 303.362 1.752 20 5 DDBDHN C[C@H]1NCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000277477102 408949005 /nfs/dbraw/zinc/94/90/05/408949005.db2.gz LKPPIFFVINVBSQ-ZJUUUORDSA-N 0 3 311.313 1.322 20 5 DDBDHN C[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000286754038 408998615 /nfs/dbraw/zinc/99/86/15/408998615.db2.gz RWGJHBQEBSEEEN-NSHDSACASA-N 0 3 308.382 1.458 20 5 DDBDHN CS(=O)(=O)CCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278868921 409104056 /nfs/dbraw/zinc/10/40/56/409104056.db2.gz WUUGPUWHKWABKI-AWEZNQCLSA-N 0 3 312.391 1.997 20 5 DDBDHN C[C@@H](CC(N)=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279527696 409231770 /nfs/dbraw/zinc/23/17/70/409231770.db2.gz OXORXXRZGMHHNP-ZETCQYMHSA-N 0 3 305.256 1.967 20 5 DDBDHN CN1CCC[C@@]2(CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)C1 ZINC000294313464 409277167 /nfs/dbraw/zinc/27/71/67/409277167.db2.gz WMVLZHSAUVWTJY-MRXNPFEDSA-N 0 3 318.377 1.735 20 5 DDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](CO)[C@H]1CCOC1 ZINC000280289000 409285623 /nfs/dbraw/zinc/28/56/23/409285623.db2.gz MLYKVLYAPJTEON-GXTWGEPZSA-N 0 3 324.377 1.728 20 5 DDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCCNC1=O ZINC000295084878 409316232 /nfs/dbraw/zinc/31/62/32/409316232.db2.gz QTQGOUDWYKMSQY-MFKMUULPSA-N 0 3 320.349 1.180 20 5 DDBDHN CC1(C)C[C@@H](O)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000295984133 409391816 /nfs/dbraw/zinc/39/18/16/409391816.db2.gz JLBZUDSBJLHPDT-ZDUSSCGKSA-N 0 3 309.366 1.239 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCN2CCCC2)n1 ZINC000318288042 164030959 /nfs/dbraw/zinc/03/09/59/164030959.db2.gz LPYGTWPOZOXNIC-UHFFFAOYSA-N 0 3 308.338 1.308 20 5 DDBDHN Cc1c(NC(=O)C(=O)NCCN(C)C2CC2)cccc1[N+](=O)[O-] ZINC000344816313 409519917 /nfs/dbraw/zinc/51/99/17/409519917.db2.gz SONMATBBZLEKGV-UHFFFAOYSA-N 0 3 320.349 1.052 20 5 DDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(O)CC1 ZINC000304236737 409579953 /nfs/dbraw/zinc/57/99/53/409579953.db2.gz QDSSFGZXKDHZEQ-UHFFFAOYSA-N 0 3 321.333 1.350 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)n1 ZINC000331520385 409595972 /nfs/dbraw/zinc/59/59/72/409595972.db2.gz FTFHCPNPHRYGIW-NEPJUHHUSA-N 0 3 321.381 1.510 20 5 DDBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H](C)C1 ZINC000346224439 409863648 /nfs/dbraw/zinc/86/36/48/409863648.db2.gz NUHFUYOGNIDLPV-GMXVVIOVSA-N 0 3 306.366 1.725 20 5 DDBDHN C[C@H](CN(C)C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000346260951 409887583 /nfs/dbraw/zinc/88/75/83/409887583.db2.gz LHBFKWRGBRTFSP-MRVPVSSYSA-N 0 3 317.292 1.876 20 5 DDBDHN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCOC1 ZINC000332169453 409943870 /nfs/dbraw/zinc/94/38/70/409943870.db2.gz VRDCMETYJMCMBY-YWPYICTPSA-N 0 3 319.361 1.715 20 5 DDBDHN CCC[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)N(C)C ZINC000332741561 410249464 /nfs/dbraw/zinc/24/94/64/410249464.db2.gz ZMPSBEOUCMCUJD-CQSZACIVSA-N 0 3 306.366 1.605 20 5 DDBDHN CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC2)C1 ZINC000347011819 410312565 /nfs/dbraw/zinc/31/25/65/410312565.db2.gz MNMPLZRQMTYPPW-AWEZNQCLSA-N 0 3 319.361 1.669 20 5 DDBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000351963926 410375551 /nfs/dbraw/zinc/37/55/51/410375551.db2.gz IIOHUWIVMVKKQP-LLVKDONJSA-N 0 3 309.370 1.702 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343444149 410459251 /nfs/dbraw/zinc/45/92/51/410459251.db2.gz BACASZCRRBFRGP-JQWIXIFHSA-N 0 3 309.370 1.089 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000299027106 410488605 /nfs/dbraw/zinc/48/86/05/410488605.db2.gz MMWFZDBNQSVMCF-UHFFFAOYSA-N 0 3 322.365 1.107 20 5 DDBDHN COc1cc([C@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)ccn1 ZINC000347539138 410604002 /nfs/dbraw/zinc/60/40/02/410604002.db2.gz LVKPVYFWUXTXKL-NSHDSACASA-N 0 3 318.333 1.511 20 5 DDBDHN CCN(CCO)CCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000359530177 410713675 /nfs/dbraw/zinc/71/36/75/410713675.db2.gz GVEPBBYVFSZIOI-UHFFFAOYSA-N 0 3 324.381 1.017 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H]2Cc2ccccc2)c1 ZINC000353040144 410752361 /nfs/dbraw/zinc/75/23/61/410752361.db2.gz NIBAZDMKTGMDLQ-GOEBONIOSA-N 0 3 316.361 1.469 20 5 DDBDHN COc1c(C(=O)N2CCO[C@@H](CN(C)C)C2)cccc1[N+](=O)[O-] ZINC000331052312 410918857 /nfs/dbraw/zinc/91/88/57/410918857.db2.gz IXTMOMRSPCERPN-NSHDSACASA-N 0 3 323.349 1.006 20 5 DDBDHN COc1cc(CN[C@@H](CO)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000359863863 410921434 /nfs/dbraw/zinc/92/14/34/410921434.db2.gz XTIKYQSYDVIWBU-ZDUSSCGKSA-N 0 3 310.350 1.481 20 5 DDBDHN COCCN(C)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344184701 411013137 /nfs/dbraw/zinc/01/31/37/411013137.db2.gz RUDRAHNNXKSDHZ-UHFFFAOYSA-N 0 3 313.329 1.432 20 5 DDBDHN CN1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331426531 411084751 /nfs/dbraw/zinc/08/47/51/411084751.db2.gz XZWAFRJLCNNKKW-DGCLKSJQSA-N 0 3 319.365 1.097 20 5 DDBDHN CCNC(=O)[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC001120559450 782023262 /nfs/dbraw/zinc/02/32/62/782023262.db2.gz SWKFTKXXAPDDQN-KBPBESRZSA-N 0 3 309.366 1.379 20 5 DDBDHN C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)CN1CCO ZINC000419000361 226002036 /nfs/dbraw/zinc/00/20/36/226002036.db2.gz OGAHVCDWMXBZHS-MNOVXSKESA-N 0 3 319.365 1.362 20 5 DDBDHN C[C@H](CO)N1CCCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000373743605 418456366 /nfs/dbraw/zinc/45/63/66/418456366.db2.gz WYHCJROEHUIDRC-CQSZACIVSA-N 0 3 323.393 1.362 20 5 DDBDHN COc1cccc(C(=O)NC[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000195442319 222202530 /nfs/dbraw/zinc/20/25/30/222202530.db2.gz PDISVDSMHZSCCF-NSHDSACASA-N 0 3 319.361 1.818 20 5 DDBDHN CC[C@H](C)N[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccco1 ZINC000343265598 418631349 /nfs/dbraw/zinc/63/13/49/418631349.db2.gz OTDNGIWXMVPTBA-VHSXEESVSA-N 0 3 320.353 1.523 20 5 DDBDHN CCn1cc(CCN2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000375726088 418677705 /nfs/dbraw/zinc/67/77/05/418677705.db2.gz GMYGQDAHZAFVSA-CQSZACIVSA-N 0 3 318.381 1.887 20 5 DDBDHN CN1CC[C@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@H]21 ZINC000371559689 418800843 /nfs/dbraw/zinc/80/08/43/418800843.db2.gz AHDIACKQTAIOBH-GXFFZTMASA-N 0 3 304.350 1.343 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCC[C@@H](CO)C1 ZINC000371688063 418809563 /nfs/dbraw/zinc/80/95/63/418809563.db2.gz CLWUJUQLBRZLQK-ZIAGYGMSSA-N 0 3 324.377 1.429 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000365848497 418916161 /nfs/dbraw/zinc/91/61/61/418916161.db2.gz QFUIPEZKRCNXNL-MRXNPFEDSA-N 0 3 316.361 1.427 20 5 DDBDHN CCN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000411724177 419390986 /nfs/dbraw/zinc/39/09/86/419390986.db2.gz YMFTWGOZDKSRLO-CYBMUJFWSA-N 0 3 320.393 1.949 20 5 DDBDHN C[C@@H]1CN(CCO)[C@@H](C)CN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000418109208 419539043 /nfs/dbraw/zinc/53/90/43/419539043.db2.gz HXOVKGSHVRNCKP-IORUMNFESA-N 0 3 319.405 1.995 20 5 DDBDHN Cc1ccc(CN2C[C@H](C)N(CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000418112744 419543542 /nfs/dbraw/zinc/54/35/42/419543542.db2.gz LNOXLYBBJPMREP-KBPBESRZSA-N 0 3 307.394 1.790 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@H]1CCCN1C ZINC000421710479 419699242 /nfs/dbraw/zinc/69/92/42/419699242.db2.gz KVPSHHAESKRTLK-GFCCVEGCSA-N 0 3 307.350 1.770 20 5 DDBDHN COCCN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCSC1 ZINC000433189204 229169265 /nfs/dbraw/zinc/16/92/65/229169265.db2.gz DJOVJRQYTUDSDG-LBPRGKRZSA-N 0 3 314.411 1.635 20 5 DDBDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1cc([N+](=O)[O-])ccc1OC ZINC000429783431 420047338 /nfs/dbraw/zinc/04/73/38/420047338.db2.gz HRPNUGUWALCABE-CHWSQXEVSA-N 0 3 307.350 1.608 20 5 DDBDHN COc1cc(C(=O)NCC2(N(C)C)CC2)cc([N+](=O)[O-])c1C ZINC000416309803 420322998 /nfs/dbraw/zinc/32/29/98/420322998.db2.gz XMYZFYXXPZPUCO-UHFFFAOYSA-N 0 3 307.350 1.736 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420454058 420298511 /nfs/dbraw/zinc/29/85/11/420298511.db2.gz VNFBMZMVNFZVBR-LLVKDONJSA-N 0 3 313.379 1.324 20 5 DDBDHN CN(C)CCc1ccccc1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000438571967 420460165 /nfs/dbraw/zinc/46/01/65/420460165.db2.gz NSGIWKNUMOWJOK-UHFFFAOYSA-N 0 3 317.349 1.685 20 5 DDBDHN COc1cc(C(=O)NCCN2CCCC2)c([N+](=O)[O-])cc1F ZINC000448602276 420870238 /nfs/dbraw/zinc/87/02/38/420870238.db2.gz AEFRPOXHDIGXGQ-UHFFFAOYSA-N 0 3 311.313 1.568 20 5 DDBDHN CC[C@@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)NC ZINC000449770619 421079741 /nfs/dbraw/zinc/07/97/41/421079741.db2.gz GAMOIEILECLMBB-GXFFZTMASA-N 0 3 322.365 1.426 20 5 DDBDHN COCCN1CCC[C@H]1CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000450305627 421179479 /nfs/dbraw/zinc/17/94/79/421179479.db2.gz AXQOTBOCMYUPKD-LBPRGKRZSA-N 0 3 319.365 1.416 20 5 DDBDHN O=[N+]([O-])c1ccc2[nH]c(=NC[C@@H]3CCCCN3CCO)[nH]c2c1 ZINC000450613305 421217212 /nfs/dbraw/zinc/21/72/12/421217212.db2.gz LQJFJAAUGADEBW-LBPRGKRZSA-N 0 3 319.365 1.152 20 5 DDBDHN C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000548058500 421394961 /nfs/dbraw/zinc/39/49/61/421394961.db2.gz RIADYHQBPWQEQU-GHMZBOCLSA-N 0 3 321.381 1.422 20 5 DDBDHN Nc1nccc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000514610810 421440271 /nfs/dbraw/zinc/44/02/71/421440271.db2.gz ACZKGXLGTSFFTK-SNVBAGLBSA-N 0 3 319.365 1.319 20 5 DDBDHN O=C(CNCC1CC1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000567349389 421611206 /nfs/dbraw/zinc/61/12/06/421611206.db2.gz LBNIINPDPMZAOK-UHFFFAOYSA-N 0 3 315.333 1.923 20 5 DDBDHN CCN1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000531634752 421641184 /nfs/dbraw/zinc/64/11/84/421641184.db2.gz JOTPWECCMASVLG-VXGBXAGGSA-N 0 3 306.366 1.935 20 5 DDBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000571223224 421698703 /nfs/dbraw/zinc/69/87/03/421698703.db2.gz TUJULPIJANMGBL-KRWDZBQOSA-N 0 3 319.405 1.934 20 5 DDBDHN CN(CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000520187028 421739315 /nfs/dbraw/zinc/73/93/15/421739315.db2.gz YQORIOQOWLRGCU-UHFFFAOYSA-N 0 3 307.306 1.148 20 5 DDBDHN Cc1ccc(S(=O)(=O)[N-][C@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000577729399 422417443 /nfs/dbraw/zinc/41/74/43/422417443.db2.gz MXRAALMAYCMEBV-VHSXEESVSA-N 0 3 301.368 1.307 20 5 DDBDHN COC(=O)c1cc(C)nc(N[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000342365435 271390807 /nfs/dbraw/zinc/39/08/07/271390807.db2.gz VYYKYQXPAUYICL-MNOVXSKESA-N 0 3 322.365 1.979 20 5 DDBDHN Cn1ccnc1[C@@H]1OCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000343388001 271758115 /nfs/dbraw/zinc/75/81/15/271758115.db2.gz NOPCJOVYQIPIIY-UONOGXRCSA-N 0 3 302.334 1.948 20 5 DDBDHN CN(C)CCN(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000176809207 273795500 /nfs/dbraw/zinc/79/55/00/273795500.db2.gz XROUILOZVRTDAB-UHFFFAOYSA-N 0 3 317.349 1.414 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCCN2C)n1 ZINC000319331328 274003974 /nfs/dbraw/zinc/00/39/74/274003974.db2.gz RQRARFNGMINGKT-SNVBAGLBSA-N 0 3 308.338 1.307 20 5 DDBDHN O=C1CC[C@H](N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1 ZINC000450895391 275018121 /nfs/dbraw/zinc/01/81/21/275018121.db2.gz XNHPEFOFCFKFMX-ZDUSSCGKSA-N 0 3 318.377 1.386 20 5 DDBDHN CC(C)c1n[nH]c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000331216885 276041592 /nfs/dbraw/zinc/04/15/92/276041592.db2.gz PVNYOXLRRUJJDD-NXEZZACHSA-N 0 3 309.370 1.654 20 5 DDBDHN CC[C@@H](C)[C@@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000236955599 276419533 /nfs/dbraw/zinc/41/95/33/276419533.db2.gz YUDKLWYGBPVINC-IUODEOHRSA-N 0 3 320.393 1.617 20 5 DDBDHN C[C@@H]1NCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]1C ZINC000277500204 279037260 /nfs/dbraw/zinc/03/72/60/279037260.db2.gz PAAIEGIWZIAWKD-IUCAKERBSA-N 0 3 308.294 1.325 20 5 DDBDHN NC1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCC1 ZINC000237899631 279614575 /nfs/dbraw/zinc/61/45/75/279614575.db2.gz GPQIGOVAFAAKCG-UHFFFAOYSA-N 0 3 318.377 1.515 20 5 DDBDHN CC(C)C[C@H](Nc1ncccc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000129491417 281346588 /nfs/dbraw/zinc/34/65/88/281346588.db2.gz XSTWROGJGWFZOE-LBPRGKRZSA-N 0 3 323.397 1.494 20 5 DDBDHN Cc1ccc(C(=O)NC2(CCO)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000354144609 298353390 /nfs/dbraw/zinc/35/33/90/298353390.db2.gz UTFWKCRFURIFSQ-UHFFFAOYSA-N 0 3 321.377 1.480 20 5 DDBDHN COCCO[C@H]1COCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000362530024 300087692 /nfs/dbraw/zinc/08/76/92/300087692.db2.gz UZXZRUVGODPHLU-GJZGRUSLSA-N 0 3 310.350 1.505 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CCCN(C3CC3)CC2)c2nonc21 ZINC000364050216 300339156 /nfs/dbraw/zinc/33/91/56/300339156.db2.gz GERYGJUIRPODCD-UHFFFAOYSA-N 0 3 303.322 1.806 20 5 DDBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CCN1C1CCN(C)CC1 ZINC000364383749 300387690 /nfs/dbraw/zinc/38/76/90/300387690.db2.gz MPXBDTZNEXJFFM-ZDUSSCGKSA-N 0 3 319.409 1.595 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000368596673 301061163 /nfs/dbraw/zinc/06/11/63/301061163.db2.gz VVHQXTMTTFQXKN-DOMZBBRYSA-N 0 3 303.362 1.690 20 5 DDBDHN CC(C)CN1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000369310564 301161880 /nfs/dbraw/zinc/16/18/80/301161880.db2.gz RNSLWWCHVFGVIA-UHFFFAOYSA-N 0 3 320.393 1.981 20 5 DDBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000370491587 301350316 /nfs/dbraw/zinc/35/03/16/301350316.db2.gz MNKLKPZHCSWZLX-JTQLQIEISA-N 0 3 322.340 1.626 20 5 DDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000375994948 302021088 /nfs/dbraw/zinc/02/10/88/302021088.db2.gz OJLALPCUDGNNMF-OUCADQQQSA-N 0 3 308.382 1.844 20 5 DDBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377475391 302182395 /nfs/dbraw/zinc/18/23/95/302182395.db2.gz MBRLWJCLNUGEMC-KGLIPLIRSA-N 0 3 319.361 1.117 20 5 DDBDHN COc1cc(C(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000376642886 307251158 /nfs/dbraw/zinc/25/11/58/307251158.db2.gz MLLUEUZLLUSESB-FZMZJTMJSA-N 0 3 319.361 1.770 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCCS(C)(=O)=O ZINC000540192249 307685934 /nfs/dbraw/zinc/68/59/34/307685934.db2.gz BAFXQTHWSYGNTI-NSHDSACASA-N 0 3 300.380 1.989 20 5 DDBDHN NC[C@@H]1c2ccccc2CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000573922589 308256117 /nfs/dbraw/zinc/25/61/17/308256117.db2.gz IDFAJUQIQXSRNR-GFCCVEGCSA-N 0 3 301.302 1.886 20 5 DDBDHN C[C@H](N[C@H]1C[C@H](O)C1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000584478658 337348239 /nfs/dbraw/zinc/34/82/39/337348239.db2.gz YHNRSBLJAYZRRA-XDTLVQLUSA-N 0 3 307.350 1.671 20 5 DDBDHN COc1ccc(CC(=O)NC[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000600271916 490384285 /nfs/dbraw/zinc/38/42/85/490384285.db2.gz KSYJLNKMPQZGBE-GFCCVEGCSA-N 0 3 307.350 1.356 20 5 DDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000494453922 534338809 /nfs/dbraw/zinc/33/88/09/534338809.db2.gz KQVMHUHWKKSXTN-CZUORRHYSA-N 0 3 319.361 1.999 20 5 DDBDHN CC(C)(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000305774818 527293891 /nfs/dbraw/zinc/29/38/91/527293891.db2.gz MUOVQMAYKBPDPA-AWEZNQCLSA-N 0 3 322.340 1.816 20 5 DDBDHN CCOC(=O)[C@@H]1NCC[C@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000422747688 527908759 /nfs/dbraw/zinc/90/87/59/527908759.db2.gz ZJJNHARPLCVGQU-ZIAGYGMSSA-N 0 3 307.350 1.021 20 5 DDBDHN CCC[C@@H](NC[C@@H](O)Cn1ccnn1)c1cccc([N+](=O)[O-])c1 ZINC000414181887 529010620 /nfs/dbraw/zinc/01/06/20/529010620.db2.gz MMSHQBAUZLZFJM-HUUCEWRRSA-N 0 3 319.365 1.678 20 5 DDBDHN CC(COC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000797279319 700002786 /nfs/dbraw/zinc/00/27/86/700002786.db2.gz KKMOBYFQUJZOEE-DBIOUOCHSA-N 0 3 314.338 1.593 20 5 DDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](c2ccccn2)C1 ZINC000799197737 700127955 /nfs/dbraw/zinc/12/79/55/700127955.db2.gz HWWXMFINDHZMAN-ZDUSSCGKSA-N 0 3 314.345 1.641 20 5 DDBDHN C[C@H]1OCC[C@]1(O)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000227145468 697768773 /nfs/dbraw/zinc/76/87/73/697768773.db2.gz HRPFRCOQOSCAJW-RNCFNFMXSA-N 0 3 300.742 1.878 20 5 DDBDHN COC(=O)CC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000749685228 700176802 /nfs/dbraw/zinc/17/68/02/700176802.db2.gz DHKKYOPTVSZHLJ-OAHLLOKOSA-N 0 3 322.361 1.903 20 5 DDBDHN CCCC(=O)N1CCC(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000989855553 698798694 /nfs/dbraw/zinc/79/86/94/698798694.db2.gz VKMTYRVRPUZGHS-UHFFFAOYSA-N 0 3 309.370 1.209 20 5 DDBDHN CCc1n[n-]c(C(=O)NCCn2cc[nH+]c2C(C)C)c1[N+](=O)[O-] ZINC000731808569 699537458 /nfs/dbraw/zinc/53/74/58/699537458.db2.gz AHJMVSAJRVPVSS-UHFFFAOYSA-N 0 3 320.353 1.630 20 5 DDBDHN CO[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@](C)(CO)C1 ZINC000879262752 706633526 /nfs/dbraw/zinc/63/35/26/706633526.db2.gz ZIIGSPRBXDKZJZ-ZNMIVQPWSA-N 0 3 310.350 1.100 20 5 DDBDHN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813101781 702291332 /nfs/dbraw/zinc/29/13/32/702291332.db2.gz IRDXQRUDBBXPIQ-GUBZILKMSA-N 0 3 304.368 1.142 20 5 DDBDHN CCc1ccccc1N1C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC1=O ZINC000813105521 702292947 /nfs/dbraw/zinc/29/29/47/702292947.db2.gz NWBASFDADONMAQ-WCQYABFASA-N 0 3 320.345 1.810 20 5 DDBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)[N+](=O)[O-] ZINC000813108265 702295000 /nfs/dbraw/zinc/29/50/00/702295000.db2.gz CLZRXRCYOCVUQG-VHSXEESVSA-N 0 3 310.281 1.387 20 5 DDBDHN CC(COC(=O)c1ccc(CS(C)(=O)=O)cc1)[N+](=O)[O-] ZINC000813108577 702295392 /nfs/dbraw/zinc/29/53/92/702295392.db2.gz HVHQZAVOJKXSDV-SECBINFHSA-N 0 3 301.320 1.053 20 5 DDBDHN CC(COC(=O)CCN1c2ccccc2O[C@H](C)C1=O)[N+](=O)[O-] ZINC000813111865 702297454 /nfs/dbraw/zinc/29/74/54/702297454.db2.gz KZNFZQJGSTWYOY-WDEREUQCSA-N 0 3 322.317 1.399 20 5 DDBDHN CC(COC(=O)c1cnn(-c2cccc(Cl)c2)n1)[N+](=O)[O-] ZINC000813112300 702298000 /nfs/dbraw/zinc/29/80/00/702298000.db2.gz PCPGIXOUHRMEFC-QMMMGPOBSA-N 0 3 310.697 1.743 20 5 DDBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])nc1Br ZINC000813114619 702299122 /nfs/dbraw/zinc/29/91/22/702299122.db2.gz UNLPLKNXMZXVEP-ZCFIWIBFSA-N 0 3 319.111 1.675 20 5 DDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000843063816 702811614 /nfs/dbraw/zinc/81/16/14/702811614.db2.gz AWROHLCULGRCMP-YESZJQIVSA-N 0 3 314.341 1.876 20 5 DDBDHN CC[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000843116334 702822090 /nfs/dbraw/zinc/82/20/90/702822090.db2.gz WNFGJHJOFYIKAW-SDDRHHMPSA-N 0 3 304.293 1.622 20 5 DDBDHN CC1(OCC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CNC1 ZINC000843449551 702884926 /nfs/dbraw/zinc/88/49/26/702884926.db2.gz QFDUTVOGBKTWTP-UHFFFAOYSA-N 0 3 313.741 1.243 20 5 DDBDHN CC(COC(=O)CC1(NC(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000851036145 703774691 /nfs/dbraw/zinc/77/46/91/703774691.db2.gz GAPSLEMAHYPMIT-SECBINFHSA-N 0 3 302.327 1.642 20 5 DDBDHN CCc1cc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000819052669 704059858 /nfs/dbraw/zinc/05/98/58/704059858.db2.gz BYPGTORJFBVVJR-UHFFFAOYSA-N 0 3 317.349 1.999 20 5 DDBDHN CCc1cc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000819052669 704059863 /nfs/dbraw/zinc/05/98/63/704059863.db2.gz BYPGTORJFBVVJR-UHFFFAOYSA-N 0 3 317.349 1.999 20 5 DDBDHN CN(C)c1cccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000819191214 704084231 /nfs/dbraw/zinc/08/42/31/704084231.db2.gz PAKVFXHQEBAHEV-OAHLLOKOSA-N 0 3 316.361 1.879 20 5 DDBDHN C[C@@H]([NH3+])[C@@H](C)[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766719 704622401 /nfs/dbraw/zinc/62/24/01/704622401.db2.gz VPIBMWWKKCINPF-HTQZYQBOSA-N 0 3 303.265 1.418 20 5 DDBDHN CC(C)N1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825676175 705712823 /nfs/dbraw/zinc/71/28/23/705712823.db2.gz SVXIGNOGWGMSKD-HNNXBMFYSA-N 0 3 321.377 1.571 20 5 DDBDHN Cn1c(C(=O)NC[C@H]2Cc3ccccc3CN2)ccc1[N+](=O)[O-] ZINC000877346586 706073946 /nfs/dbraw/zinc/07/39/46/706073946.db2.gz SHYIPJACVQFGBQ-CYBMUJFWSA-N 0 3 314.345 1.378 20 5 DDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC23CCC3)cc1 ZINC000872252058 707349949 /nfs/dbraw/zinc/34/99/49/707349949.db2.gz RBGXFYGHWQKYKF-CYBMUJFWSA-N 0 3 310.375 1.901 20 5 DDBDHN CC(C)N1CCCC[C@@H]1COC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000837611756 707695750 /nfs/dbraw/zinc/69/57/50/707695750.db2.gz GMNCJPJTUQDVIP-LLVKDONJSA-N 0 3 310.354 1.748 20 5 DDBDHN C[C@@H](CN[C@@H](C)CS(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000897463780 708339418 /nfs/dbraw/zinc/33/94/18/708339418.db2.gz IUPMBQXLMGXPJX-QWRGUYRKSA-N 0 3 300.380 1.721 20 5 DDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCC2)C1 ZINC000912918553 713124108 /nfs/dbraw/zinc/12/41/08/713124108.db2.gz FTYMVPNCXLFSQP-CYBMUJFWSA-N 0 3 319.361 1.670 20 5 DDBDHN C[C@@H]1[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000928459993 713206132 /nfs/dbraw/zinc/20/61/32/713206132.db2.gz YYGSZSDOSAXUHI-ZWNOBZJWSA-N 0 3 317.349 1.153 20 5 DDBDHN O=[N+]([O-])CCNC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000905362924 712015854 /nfs/dbraw/zinc/01/58/54/712015854.db2.gz BRIUDYJQQCJQIG-NSHDSACASA-N 0 3 322.283 1.603 20 5 DDBDHN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNCC[N+](=O)[O-])C1 ZINC000905489764 712053338 /nfs/dbraw/zinc/05/33/38/712053338.db2.gz DPTYLIOXOMICLT-SNVBAGLBSA-N 0 3 323.340 1.745 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c1C ZINC000908347228 712748215 /nfs/dbraw/zinc/74/82/15/712748215.db2.gz KRPHHXCWHVBQRK-TZMCWYRMSA-N 0 3 303.362 1.988 20 5 DDBDHN COc1cc(CN[C@H]2COC[C@@H]2C2CC2)c([N+](=O)[O-])cc1O ZINC000914432764 713395102 /nfs/dbraw/zinc/39/51/02/713395102.db2.gz DMKXZBDEWKXPKC-NEPJUHHUSA-N 0 3 308.334 1.824 20 5 DDBDHN O=[N+]([O-])CCN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000930849526 713936921 /nfs/dbraw/zinc/93/69/21/713936921.db2.gz NISJLVXVZGMSAN-CVEARBPZSA-N 0 3 305.378 1.238 20 5 DDBDHN COC(=O)COc1ccc(CN[C@@H]2COC[C@@H]2C)cc1[N+](=O)[O-] ZINC000922641353 714108870 /nfs/dbraw/zinc/10/88/70/714108870.db2.gz GZJLPMVRJXEWND-CMPLNLGQSA-N 0 3 324.333 1.271 20 5 DDBDHN C[C@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)CS(C)(=O)=O ZINC000932179737 714280114 /nfs/dbraw/zinc/28/01/14/714280114.db2.gz LWJBFQCKWVKZOC-GHMZBOCLSA-N 0 3 300.380 1.926 20 5 DDBDHN C[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000932346792 714315004 /nfs/dbraw/zinc/31/50/04/714315004.db2.gz KUWZHCYPKDBHCG-CHWSQXEVSA-N 0 3 310.350 1.445 20 5 DDBDHN CCOC(=O)[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000932644238 714373668 /nfs/dbraw/zinc/37/36/68/714373668.db2.gz HKPUXNHGSIEVEU-TZMCWYRMSA-N 0 3 308.334 1.513 20 5 DDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCN(C)CCO ZINC000924999438 714721668 /nfs/dbraw/zinc/72/16/68/714721668.db2.gz OZQWHORYZAMFPL-UHFFFAOYSA-N 0 3 309.366 1.174 20 5 DDBDHN O=[N+]([O-])c1cc(CN2CC[C@@H]3[C@H]2CCCN3CCO)cs1 ZINC000934258096 714777918 /nfs/dbraw/zinc/77/79/18/714777918.db2.gz PWLFCIIGQNUBOP-CHWSQXEVSA-N 0 3 311.407 1.687 20 5 DDBDHN Cc1ncc(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)o1 ZINC001129303652 754250352 /nfs/dbraw/zinc/25/03/52/754250352.db2.gz KFFZJUNHEPUGPU-UHFFFAOYSA-N 0 3 318.333 1.340 20 5 DDBDHN Cc1nc(Cl)nc(N2C[C@H]3[C@H](C2)CCCN3C)c1[N+](=O)[O-] ZINC001157261461 764729504 /nfs/dbraw/zinc/72/95/04/764729504.db2.gz RJNHITOONJUISB-UWVGGRQHSA-N 0 3 311.773 1.877 20 5 DDBDHN O=C(Cc1cncs1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001129969920 767083554 /nfs/dbraw/zinc/08/35/54/767083554.db2.gz PYYRONFOWDPKBN-UHFFFAOYSA-N 0 3 320.374 1.500 20 5 DDBDHN CCn1c(CCC[N+](=O)[O-])nnc1N1CCN(CC2CC2)CC1 ZINC001121663946 782617530 /nfs/dbraw/zinc/61/75/30/782617530.db2.gz HKEOYKIDVASPFX-UHFFFAOYSA-N 0 3 322.413 1.039 20 5 DDBDHN Cc1cc(NCCNC(=O)C2(N(C)C)CCC2)ncc1[N+](=O)[O-] ZINC001093926420 775218045 /nfs/dbraw/zinc/21/80/45/775218045.db2.gz ANFITVHPAQNCOO-UHFFFAOYSA-N 0 3 321.381 1.311 20 5 DDBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N[C@@H]1C=CS(=O)(=O)C1)CC2 ZINC001172899752 776915169 /nfs/dbraw/zinc/91/51/69/776915169.db2.gz PCUYOEZYKVUONR-UONOGXRCSA-N 0 3 322.386 1.743 20 5 DDBDHN CCOC(=O)[C@H]1CNCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC001118261403 781077764 /nfs/dbraw/zinc/07/77/64/781077764.db2.gz UAGXPASIUGKCLJ-CYBMUJFWSA-N 0 3 311.313 1.071 20 5 DDBDHN COCCCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001155045162 861674246 /nfs/dbraw/zinc/67/42/46/861674246.db2.gz TXIYEMAFGGOTDL-UHFFFAOYSA-N 0 3 315.395 1.679 20 5 DDBDHN CSCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001154424543 861088716 /nfs/dbraw/zinc/08/87/16/861088716.db2.gz FXOMMSMKDOMBLI-UHFFFAOYSA-N 0 3 303.409 1.615 20 5 DDBDHN Cc1c(CC[NH3+])c(=O)[n-]n1-c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001159293532 865208100 /nfs/dbraw/zinc/20/81/00/865208100.db2.gz KNEVKTBNAAJVSO-UHFFFAOYSA-N 0 3 314.305 1.239 20 5 DDBDHN Cc1c(CC[NH3+])c(=O)[n-]n1-c1ncnc2cccc([N+](=O)[O-])c21 ZINC001159302947 865216266 /nfs/dbraw/zinc/21/62/66/865216266.db2.gz VFAPPQCJUBXHKI-UHFFFAOYSA-N 0 3 314.305 1.239 20 5 DDBDHN C[NH+]1CCC2(CC[C@@H](COc3nccc([O-])c3[N+](=O)[O-])O2)CC1 ZINC001225659994 881962186 /nfs/dbraw/zinc/96/21/86/881962186.db2.gz BBWTZHLCPYXBHN-NSHDSACASA-N 0 3 323.349 1.718 20 5 DDBDHN COc1cc(NCCCN2CCN(C)CC2)cnc1[N+](=O)[O-] ZINC001161709700 866921873 /nfs/dbraw/zinc/92/18/73/866921873.db2.gz FNTIJBAONRFYJQ-UHFFFAOYSA-N 0 3 309.370 1.048 20 5 DDBDHN Nc1nc(=O)c2ccccc2n1-c1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001162897095 867908874 /nfs/dbraw/zinc/90/88/74/867908874.db2.gz VNDGANDZIFDPMV-UHFFFAOYSA-N 0 3 323.312 1.722 20 5 DDBDHN COc1cc([N+](=O)[O-])cnc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001163644375 868588143 /nfs/dbraw/zinc/58/81/43/868588143.db2.gz RFXBHOZGOODKQZ-DZGCQCFKSA-N 0 3 322.365 1.712 20 5 DDBDHN C[C@](O)(CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001336699025 869098336 /nfs/dbraw/zinc/09/83/36/869098336.db2.gz JATJWZZRZYIOIN-QWRGUYRKSA-N 0 3 308.256 1.531 20 5 DDBDHN CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC001340124499 870906243 /nfs/dbraw/zinc/90/62/43/870906243.db2.gz TXWUGSXWXVWOAL-VXGBXAGGSA-N 0 3 310.402 1.412 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2COC3(CNC3)C2)c1C ZINC001342214974 872075822 /nfs/dbraw/zinc/07/58/22/872075822.db2.gz IQKVAHHSJBJQJJ-LLVKDONJSA-N 0 3 305.334 1.072 20 5 DDBDHN C[C@H](NC(=O)CNC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC001354829086 878254309 /nfs/dbraw/zinc/25/43/09/878254309.db2.gz GUZIYXNBJRHGFA-FZMZJTMJSA-N 0 3 307.350 1.541 20 5 DDBDHN O=[N+]([O-])c1ccc(N2CC(N[C@@H]3CCOC3)C2)c2ccncc21 ZINC001472889359 878331096 /nfs/dbraw/zinc/33/10/96/878331096.db2.gz XHZIAOGUQBZMMJ-LLVKDONJSA-N 0 3 314.345 1.710 20 5 DDBDHN CC[C@H](C)N1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC)CC1 ZINC001356351611 879007847 /nfs/dbraw/zinc/00/78/47/879007847.db2.gz NBPRDZSMBHYZFT-RYUDHWBXSA-N 0 3 310.402 1.556 20 5 DDBDHN CCN1C[C@H](C)N(c2nnc(C[N+](=O)[O-])n2CC(C)C)C[C@@H]1C ZINC001358057080 880309783 /nfs/dbraw/zinc/30/97/83/880309783.db2.gz HAQALPNFXSKUHY-STQMWFEESA-N 0 3 324.429 1.630 20 5 DDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCO[C@@H](CN(C)C)C1 ZINC001254552449 896498457 /nfs/dbraw/zinc/49/84/57/896498457.db2.gz MDEZVKHMQDVBSU-HIFRSBDPSA-N 0 3 307.394 1.788 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](C)[C@@H](O)C1 ZINC000305761235 231042286 /nfs/dbraw/zinc/04/22/86/231042286.db2.gz LIASSDBOXRMLCT-NHYWBVRUSA-N 0 3 321.377 1.935 20 5 DDBDHN CC(C)N1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000272763720 210167134 /nfs/dbraw/zinc/16/71/34/210167134.db2.gz WBAOFVNKUJJREI-UHFFFAOYSA-N 0 3 307.354 1.938 20 5 DDBDHN Cc1nn(CCC(=O)N[C@@H]2CCN(C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000330889535 232140385 /nfs/dbraw/zinc/14/03/85/232140385.db2.gz BJXQGIRQTPTWCZ-ZWNOBZJWSA-N 0 3 323.397 1.397 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](O)C1 ZINC000041886283 352317561 /nfs/dbraw/zinc/31/75/61/352317561.db2.gz YPAKYRCCMLCUDM-ZDUSSCGKSA-N 0 3 307.350 1.689 20 5 DDBDHN COCCN(C)CCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000041951217 352319797 /nfs/dbraw/zinc/31/97/97/352319797.db2.gz LVBMDWDRYWRRRE-UHFFFAOYSA-N 0 3 309.366 1.222 20 5 DDBDHN CCN1CCN(CCCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000041443589 352308448 /nfs/dbraw/zinc/30/84/48/352308448.db2.gz BTHRCDNKNVOQJP-UHFFFAOYSA-N 0 3 320.393 1.352 20 5 DDBDHN CN1CCN(CC2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000057151564 352801494 /nfs/dbraw/zinc/80/14/94/352801494.db2.gz ZKPNMOKSWGZHBU-UHFFFAOYSA-N 0 3 319.409 1.454 20 5 DDBDHN COCCN1CC[C@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000491564789 234204887 /nfs/dbraw/zinc/20/48/87/234204887.db2.gz ZAIKOVMKVHMVPY-GJBLVYBDSA-N 0 3 319.361 1.445 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000174645630 198364698 /nfs/dbraw/zinc/36/46/98/198364698.db2.gz NWSRAKGOBRQMNQ-OAHLLOKOSA-N 0 3 302.334 1.211 20 5 DDBDHN CCOC(=O)c1ccnc(N(C)CCN2CCCC2)c1[N+](=O)[O-] ZINC000077964222 353498237 /nfs/dbraw/zinc/49/82/37/353498237.db2.gz GYUSSPLFGGUIAX-UHFFFAOYSA-N 0 3 322.365 1.699 20 5 DDBDHN CN1CCC(O)(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087421914 353750730 /nfs/dbraw/zinc/75/07/30/353750730.db2.gz IHMAUNTZAVVLFM-UHFFFAOYSA-N 0 3 321.377 1.100 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000277039176 213257532 /nfs/dbraw/zinc/25/75/32/213257532.db2.gz HBIMQNHJZWFVRB-SMDDNHRTSA-N 0 3 319.361 1.770 20 5 DDBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(c2c([N+](=O)[O-])ncn2C)C1 ZINC000585814384 354852787 /nfs/dbraw/zinc/85/27/87/354852787.db2.gz GNJZBEICCQXTDA-RYUDHWBXSA-N 0 3 309.370 1.018 20 5 DDBDHN C[C@H]1OCC[C@]1(C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000494281622 235014065 /nfs/dbraw/zinc/01/40/65/235014065.db2.gz GMFVBMFRWSYBIV-BZNIZROVSA-N 0 3 319.361 1.641 20 5 DDBDHN COc1ccc(CN[C@H]2CCn3ccnc3C2)cc1[N+](=O)[O-] ZINC000494405217 235031667 /nfs/dbraw/zinc/03/16/67/235031667.db2.gz MHEJWOKFSGJMIS-LBPRGKRZSA-N 0 3 302.334 1.905 20 5 DDBDHN CCOc1ccc(C(=O)N2CCNCC2(C)C)cc1[N+](=O)[O-] ZINC000591677834 355360431 /nfs/dbraw/zinc/36/04/31/355360431.db2.gz GKAVWIWTMNETMC-UHFFFAOYSA-N 0 3 307.350 1.818 20 5 DDBDHN COc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)cc([N+](=O)[O-])c1C ZINC000591686211 355362221 /nfs/dbraw/zinc/36/22/21/355362221.db2.gz SXBQYDKHYSLFIE-QWRGUYRKSA-N 0 3 311.313 1.342 20 5 DDBDHN COc1c(C(=O)N2CCN3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000332655732 235249363 /nfs/dbraw/zinc/24/93/63/235249363.db2.gz VPKMKKBQWMATET-LLVKDONJSA-N 0 3 305.334 1.524 20 5 DDBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](CO)C(C)(C)C)c1 ZINC000593023548 355772406 /nfs/dbraw/zinc/77/24/06/355772406.db2.gz UZMQWQAPTBFEBT-CYBMUJFWSA-N 0 3 310.350 1.878 20 5 DDBDHN C[C@@H]1C[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000593485967 355900120 /nfs/dbraw/zinc/90/01/20/355900120.db2.gz DRZSJBMUUCYXHG-ZWNOBZJWSA-N 0 3 309.341 1.875 20 5 DDBDHN COCCN(C)C[C@@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000593969920 356077027 /nfs/dbraw/zinc/07/70/27/356077027.db2.gz GNYIHCASRJFJJM-OLZOCXBDSA-N 0 3 311.382 1.185 20 5 DDBDHN O=[N+]([O-])c1cc(F)c(CN2CCN3C[C@H](O)C[C@H]3C2)c(F)c1 ZINC000594025462 356093130 /nfs/dbraw/zinc/09/31/30/356093130.db2.gz MTBUFQZPENJHTH-WDEREUQCSA-N 0 3 313.304 1.124 20 5 DDBDHN CCOc1cc(CN2CCN3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594026016 356093349 /nfs/dbraw/zinc/09/33/49/356093349.db2.gz XANIQGLDOUENDC-UONOGXRCSA-N 0 3 321.377 1.244 20 5 DDBDHN CCc1n[nH]c(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594418562 356203706 /nfs/dbraw/zinc/20/37/06/356203706.db2.gz KDZXQNSEIRHDJO-NEPJUHHUSA-N 0 3 321.381 1.627 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCc1n[nH]c(C)n1 ZINC000595033451 356375146 /nfs/dbraw/zinc/37/51/46/356375146.db2.gz LVXJBAAUKWBULA-VIFPVBQESA-N 0 3 305.338 1.923 20 5 DDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCc1nc(C)n[nH]1 ZINC000595033451 356375147 /nfs/dbraw/zinc/37/51/47/356375147.db2.gz LVXJBAAUKWBULA-VIFPVBQESA-N 0 3 305.338 1.923 20 5 DDBDHN CO[C@@]1(CO)CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595663747 356599340 /nfs/dbraw/zinc/59/93/40/356599340.db2.gz UGFLRVDOLCYFOS-HNNXBMFYSA-N 0 3 310.350 1.447 20 5 DDBDHN O=C1CC[C@H]2CN(CCOc3ccccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595737068 356629400 /nfs/dbraw/zinc/62/94/00/356629400.db2.gz GOECIWRFBOWWRU-STQMWFEESA-N 0 3 319.361 1.574 20 5 DDBDHN CC[C@H](NC(=O)CNC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000237003341 202118729 /nfs/dbraw/zinc/11/87/29/202118729.db2.gz MJRDSJWCGKLZEL-GJZGRUSLSA-N 0 3 321.377 1.931 20 5 DDBDHN Cc1c(CN)c(NC(=O)CCc2cccc([N+](=O)[O-])c2)nn1C ZINC000595957927 356722960 /nfs/dbraw/zinc/72/29/60/356722960.db2.gz BHKIXVXXDRQVCV-UHFFFAOYSA-N 0 3 317.349 1.667 20 5 DDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)C1(NC2CC2)CCC1 ZINC000595937882 356713086 /nfs/dbraw/zinc/71/30/86/356713086.db2.gz YFLJTKPORULOBE-UHFFFAOYSA-N 0 3 319.361 1.765 20 5 DDBDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596163184 356797926 /nfs/dbraw/zinc/79/79/26/356797926.db2.gz QDQGZGPQBRBEEW-TVQRCGJNSA-N 0 3 304.350 1.588 20 5 DDBDHN Nc1c(F)c(NC2CCN([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000596518812 356905045 /nfs/dbraw/zinc/90/50/45/356905045.db2.gz FSFVHEAODZEPCE-NSHDSACASA-N 0 3 324.356 1.981 20 5 DDBDHN CN(C)CCN(CC(=O)N(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000597203888 357091864 /nfs/dbraw/zinc/09/18/64/357091864.db2.gz AIVSEVGERVXCDI-UHFFFAOYSA-N 0 3 308.382 1.047 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000598261437 357512609 /nfs/dbraw/zinc/51/26/09/357512609.db2.gz FLKUHBDKOANBOT-LBPRGKRZSA-N 0 3 323.397 1.336 20 5 DDBDHN Cc1ccc([C@H](C)NCCNC(=O)c2ccn[nH]2)cc1[N+](=O)[O-] ZINC000180219496 199132297 /nfs/dbraw/zinc/13/22/97/199132297.db2.gz WZMFYKUJVLDJCQ-NSHDSACASA-N 0 3 317.349 1.707 20 5 DDBDHN O=C(NC[C@H]1CNCCO1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602511407 359020317 /nfs/dbraw/zinc/02/03/17/359020317.db2.gz RBKZMXOKPQIDPE-CQSZACIVSA-N 0 3 319.361 1.121 20 5 DDBDHN COC(=O)c1csc(CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC000602571115 359049844 /nfs/dbraw/zinc/04/98/44/359049844.db2.gz YCASSLRKNJYSFJ-UHFFFAOYSA-N 0 3 310.335 1.429 20 5 DDBDHN Cc1cc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[nH]n1 ZINC000602551242 359040541 /nfs/dbraw/zinc/04/05/41/359040541.db2.gz OTRRUASWDMVGJC-UHFFFAOYSA-N 0 3 316.365 1.780 20 5 DDBDHN CCO[C@@H]1C[C@H](NCCn2cc([N+](=O)[O-])cn2)[C@]12CCCO2 ZINC000602568356 359047983 /nfs/dbraw/zinc/04/79/83/359047983.db2.gz KLMJOYZLDQFGLK-BFHYXJOUSA-N 0 3 310.354 1.108 20 5 DDBDHN CCCNC(=O)[C@@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602767112 359176438 /nfs/dbraw/zinc/17/64/38/359176438.db2.gz VZCKVANTSDTRQW-CYBMUJFWSA-N 0 3 323.397 1.338 20 5 DDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@](CO)(C(C)C)C1 ZINC000602830173 359221951 /nfs/dbraw/zinc/22/19/51/359221951.db2.gz AEEPNBQADHWBHI-HNNXBMFYSA-N 0 3 310.398 1.830 20 5 DDBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3cn(C)nc3[N+](=O)[O-])[C@H]2C1 ZINC000602834196 359224859 /nfs/dbraw/zinc/22/48/59/359224859.db2.gz SURUXXNVFAXXPZ-FPMFFAJLSA-N 0 3 321.381 1.065 20 5 DDBDHN COc1ccc(NC(=O)NCC2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000602931820 359301749 /nfs/dbraw/zinc/30/17/49/359301749.db2.gz TTZCQKDOZLAGLI-UHFFFAOYSA-N 0 3 308.338 1.819 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(CCF)CC2)c1 ZINC000602948727 359315636 /nfs/dbraw/zinc/31/56/36/359315636.db2.gz DRCNYXFTRFWNFA-CYBMUJFWSA-N 0 3 300.334 1.224 20 5 DDBDHN C[C@@]1(CO)C[C@@H](O)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000602899320 359281243 /nfs/dbraw/zinc/28/12/43/359281243.db2.gz PNCNHHNHGNOMIP-HIFRSBDPSA-N 0 3 310.350 1.181 20 5 DDBDHN CCn1cc(CCN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC000602961521 359323894 /nfs/dbraw/zinc/32/38/94/359323894.db2.gz BFHSZXYXTOYNKF-INIZCTEOSA-N 0 3 318.377 1.851 20 5 DDBDHN CCCc1n[nH]c(C(=O)N(C)CCN(C)C2CC2)c1[N+](=O)[O-] ZINC000186751419 200003973 /nfs/dbraw/zinc/00/39/73/200003973.db2.gz WUNRRGQOHNHXPM-UHFFFAOYSA-N 0 3 309.370 1.437 20 5 DDBDHN CCCc1[nH]nc(C(=O)N(C)CCN(C)C2CC2)c1[N+](=O)[O-] ZINC000186751419 200003975 /nfs/dbraw/zinc/00/39/75/200003975.db2.gz WUNRRGQOHNHXPM-UHFFFAOYSA-N 0 3 309.370 1.437 20 5 DDBDHN C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000237558037 202282162 /nfs/dbraw/zinc/28/21/62/202282162.db2.gz YYASXDMHZOJPSF-QWRGUYRKSA-N 0 3 318.377 1.992 20 5 DDBDHN COCC1(N(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000611178928 360650100 /nfs/dbraw/zinc/65/01/00/360650100.db2.gz TXBYYQACUQCZKY-ZDUSSCGKSA-N 0 3 310.350 1.445 20 5 DDBDHN CCOc1ccc([C@H](C)NCCc2nnnn2C)cc1[N+](=O)[O-] ZINC000611327863 360699841 /nfs/dbraw/zinc/69/98/41/360699841.db2.gz YCHZTOAMGZEALF-JTQLQIEISA-N 0 3 320.353 1.410 20 5 DDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC1CCN([C@H]2CCOC2)CC1 ZINC000619485865 364032791 /nfs/dbraw/zinc/03/27/91/364032791.db2.gz OLRONZPARQKEFD-ZDUSSCGKSA-N 0 3 323.397 1.785 20 5 DDBDHN Cc1cc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)cc([N+](=O)[O-])c1 ZINC000619574288 364067761 /nfs/dbraw/zinc/06/77/61/364067761.db2.gz NSPSMQIVEXZDNE-MRXNPFEDSA-N 0 3 321.377 1.432 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CNC1CC(NS(C)(=O)=O)C1 ZINC000619748005 364140871 /nfs/dbraw/zinc/14/08/71/364140871.db2.gz PQVVSMJHHXNVEL-UHFFFAOYSA-N 0 3 313.379 1.073 20 5 DDBDHN O=[N+]([O-])c1ccc(CN2CCN(C[C@H]3CCOC3)CC2)c(F)c1 ZINC000267401195 206039332 /nfs/dbraw/zinc/03/93/32/206039332.db2.gz FZWVQPYNMNKHJZ-CYBMUJFWSA-N 0 3 323.368 1.888 20 5 DDBDHN COCCN(C)CCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000104848157 194046102 /nfs/dbraw/zinc/04/61/02/194046102.db2.gz GVPZYLVFMHNKRE-UHFFFAOYSA-N 0 3 324.381 1.184 20 5 DDBDHN O=[N+]([O-])c1cccc(CN2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1 ZINC000449433161 285153466 /nfs/dbraw/zinc/15/34/66/285153466.db2.gz LASCQXKMVCSYIC-NUEKZKHPSA-N 0 3 306.362 1.957 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN[C@@]2(CO)CCc3ccccc32)n1 ZINC000305744428 285168535 /nfs/dbraw/zinc/16/85/35/285168535.db2.gz UPXJIGFBKROKIN-OAHLLOKOSA-N 0 3 302.334 1.215 20 5 DDBDHN CCN(C)CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000157385656 197183533 /nfs/dbraw/zinc/18/35/33/197183533.db2.gz CEVXLVWCNYTMEQ-UHFFFAOYSA-N 0 3 317.349 1.462 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000414662655 533225409 /nfs/dbraw/zinc/22/54/09/533225409.db2.gz ZLWPSSNMCDJCBP-ZJUUUORDSA-N 0 3 308.338 1.818 20 5 DDBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NC[C@H](O)C(F)(F)F)n1 ZINC000447529593 296518587 /nfs/dbraw/zinc/51/85/87/296518587.db2.gz MDGYKSZSNPVGNU-AEJSXWLSSA-N 0 3 322.287 1.788 20 5 DDBDHN CC(C)OCCN1CCC(Nc2ccncc2[N+](=O)[O-])CC1 ZINC000361000684 299789623 /nfs/dbraw/zinc/78/96/23/299789623.db2.gz CJNLJEKMICWASZ-UHFFFAOYSA-N 0 3 308.382 1.713 20 5 DDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000068256633 406628008 /nfs/dbraw/zinc/62/80/08/406628008.db2.gz JCRTZMGEMLKNSG-GFCCVEGCSA-N 0 3 323.397 1.336 20 5 DDBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C[NH3+])C2CC2)cc1C ZINC000087384295 407120354 /nfs/dbraw/zinc/12/03/54/407120354.db2.gz ZZTAVGFTBLXQEP-NSHDSACASA-N 0 3 313.379 1.227 20 5 DDBDHN CN(CC1CCN(C)CC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000103451863 407339821 /nfs/dbraw/zinc/33/98/21/407339821.db2.gz IYEVPLIFNLJHHL-UHFFFAOYSA-N 0 3 321.377 1.774 20 5 DDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000124721218 407368005 /nfs/dbraw/zinc/36/80/05/407368005.db2.gz XNRBTZVELILIHX-PWSUYJOCSA-N 0 3 306.366 1.853 20 5 DDBDHN C[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(C)C ZINC000271032319 407478220 /nfs/dbraw/zinc/47/82/20/407478220.db2.gz PBMJOVJFKMSGGA-NSHDSACASA-N 0 3 317.349 1.460 20 5 DDBDHN CN1CCC[C@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272067573 407761840 /nfs/dbraw/zinc/76/18/40/407761840.db2.gz BMKRHOJSSPOLQX-VIFPVBQESA-N 0 3 321.362 1.424 20 5 DDBDHN CC[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(C)noc1C ZINC000182394377 306704459 /nfs/dbraw/zinc/70/44/59/306704459.db2.gz UAPLUPYQMXEJBV-STQMWFEESA-N 0 3 323.353 1.498 20 5 DDBDHN COCCO[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000189679199 408077546 /nfs/dbraw/zinc/07/75/46/408077546.db2.gz ANMSTFJXXAVZQI-HNNXBMFYSA-N 0 3 310.350 1.711 20 5 DDBDHN C[C@H](NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1cccc([N+](=O)[O-])c1 ZINC000246089351 408139497 /nfs/dbraw/zinc/13/94/97/408139497.db2.gz WKOIZPZWYRYMBU-CQDKDKBSSA-N 0 3 321.377 1.881 20 5 DDBDHN C[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000190335261 408222141 /nfs/dbraw/zinc/22/21/41/408222141.db2.gz XTJXPORVIIWHPV-OSAQELSMSA-N 0 3 310.350 1.037 20 5 DDBDHN CCCc1n[nH]c(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c1[N+](=O)[O-] ZINC000159726907 162148291 /nfs/dbraw/zinc/14/82/91/162148291.db2.gz LSDVVYBJXZFNRZ-AOOOYVTPSA-N 0 3 307.354 1.237 20 5 DDBDHN CCCc1[nH]nc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c1[N+](=O)[O-] ZINC000159726907 162148292 /nfs/dbraw/zinc/14/82/92/162148292.db2.gz LSDVVYBJXZFNRZ-AOOOYVTPSA-N 0 3 307.354 1.237 20 5 DDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000170812604 162194160 /nfs/dbraw/zinc/19/41/60/162194160.db2.gz XSIKNWBJSYKYJZ-LBPRGKRZSA-N 0 3 304.350 1.487 20 5 DDBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000247301419 408447048 /nfs/dbraw/zinc/44/70/48/408447048.db2.gz PBCGEQMXEZFIFI-JSGCOSHPSA-N 0 3 318.377 1.733 20 5 DDBDHN Cc1nn(C)c(C(=O)N[C@H]2CCCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000274440134 408406590 /nfs/dbraw/zinc/40/65/90/408406590.db2.gz HGGRYSZDGGBPRP-NSHDSACASA-N 0 3 309.370 1.239 20 5 DDBDHN C[C@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177088023 408515959 /nfs/dbraw/zinc/51/59/59/408515959.db2.gz LOLMANGLGOBSRZ-NWDGAFQWSA-N 0 3 319.361 1.715 20 5 DDBDHN CC[C@](C)(NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(N)=O ZINC000177126240 408527278 /nfs/dbraw/zinc/52/72/78/408527278.db2.gz MBRWZBUKKNJNTF-HNNXBMFYSA-N 0 3 322.365 1.475 20 5 DDBDHN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1CCCO1 ZINC000248606190 408595465 /nfs/dbraw/zinc/59/54/65/408595465.db2.gz PDOQNCGMGYLTPF-TUKIKUTGSA-N 0 3 319.361 1.857 20 5 DDBDHN COc1cccc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)c1[N+](=O)[O-] ZINC000192572293 408612226 /nfs/dbraw/zinc/61/22/26/408612226.db2.gz OQQUABFCAZSULY-VXGBXAGGSA-N 0 3 319.361 1.912 20 5 DDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN(CCO)C2CCOCC2)c1 ZINC000275667031 408639272 /nfs/dbraw/zinc/63/92/72/408639272.db2.gz YTNNWDRPETTZRF-HNNXBMFYSA-N 0 3 310.350 1.102 20 5 DDBDHN CC(C)[C@H](CCO)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000161908228 408651103 /nfs/dbraw/zinc/65/11/03/408651103.db2.gz KNQNBOMDQQTMKZ-AWEZNQCLSA-N 0 3 321.377 1.481 20 5 DDBDHN COCCN1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000265443821 408654038 /nfs/dbraw/zinc/65/40/38/408654038.db2.gz ZZLILLFOZUOFOH-LBPRGKRZSA-N 0 3 322.365 1.745 20 5 DDBDHN CN(C)[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000270758445 408669721 /nfs/dbraw/zinc/66/97/21/408669721.db2.gz LORACNZQPQVLAP-GFCCVEGCSA-N 0 3 317.349 1.361 20 5 DDBDHN CC[C@@H]1CN(CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1O ZINC000270855087 408708039 /nfs/dbraw/zinc/70/80/39/408708039.db2.gz HGYXFZWRMWGFDJ-RISCZKNCSA-N 0 3 310.350 1.685 20 5 DDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCN1CCC(O)CC1 ZINC000265527897 408685092 /nfs/dbraw/zinc/68/50/92/408685092.db2.gz VFYRFEMEIPESOB-UHFFFAOYSA-N 0 3 321.377 1.100 20 5 DDBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)CO)s2)cc1 ZINC000276804821 408901076 /nfs/dbraw/zinc/90/10/76/408901076.db2.gz TWXLBRCMUISOKA-GFCCVEGCSA-N 0 3 308.359 1.766 20 5 DDBDHN Cc1cc(NCCN2CCN(C)C(C)(C)C2)ncc1[N+](=O)[O-] ZINC000281677310 408909136 /nfs/dbraw/zinc/90/91/36/408909136.db2.gz QJZQFDJZLPJHCX-UHFFFAOYSA-N 0 3 307.398 1.736 20 5 DDBDHN CC(C)N(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000291730417 408913988 /nfs/dbraw/zinc/91/39/88/408913988.db2.gz JNQUXPVYRWGIOO-HUUCEWRRSA-N 0 3 324.377 1.834 20 5 DDBDHN COC[C@@H](Cc1ccccc1)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000191506287 163190216 /nfs/dbraw/zinc/19/02/16/163190216.db2.gz AVNHUURKYUWUCB-OAHLLOKOSA-N 0 3 318.377 1.981 20 5 DDBDHN Nc1ccc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000277585734 408971574 /nfs/dbraw/zinc/97/15/74/408971574.db2.gz RXIFLFXTBKHNHI-CYBMUJFWSA-N 0 3 318.377 1.924 20 5 DDBDHN C[C@H](N[C@@H]1CCOC[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000277665201 408988544 /nfs/dbraw/zinc/98/85/44/408988544.db2.gz FUBVSCQLJVXXFG-GRYCIOLGSA-N 0 3 307.350 1.936 20 5 DDBDHN Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC000287505019 409046210 /nfs/dbraw/zinc/04/62/10/409046210.db2.gz NWJSYQCOKHZCGZ-JTQLQIEISA-N 0 3 304.310 1.128 20 5 DDBDHN COCCN(CCN(C)C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000289184678 409229487 /nfs/dbraw/zinc/22/94/87/409229487.db2.gz AUCHSMPVSUQIBI-UHFFFAOYSA-N 0 3 311.382 1.613 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@H]2CCN(C)C[C@@H]21 ZINC000284715648 409358184 /nfs/dbraw/zinc/35/81/84/409358184.db2.gz ULZRFXDBGTWFQS-HOTGVXAUSA-N 0 3 305.378 1.808 20 5 DDBDHN CC1(C)OCC[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000295200476 409371550 /nfs/dbraw/zinc/37/15/50/409371550.db2.gz KSPNNWNGOCAHRM-AWEZNQCLSA-N 0 3 319.361 1.641 20 5 DDBDHN CN(C)CCOCCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000313915851 164011524 /nfs/dbraw/zinc/01/15/24/164011524.db2.gz UVXHLPZOLJTKGO-UHFFFAOYSA-N 0 3 311.367 1.590 20 5 DDBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000321979915 164046225 /nfs/dbraw/zinc/04/62/25/164046225.db2.gz OZBQQPQKLNAFRU-NEPJUHHUSA-N 0 3 323.324 1.327 20 5 DDBDHN CCn1cc([C@@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000296235057 409473016 /nfs/dbraw/zinc/47/30/16/409473016.db2.gz WTRWRUMTTJLQEL-LLVKDONJSA-N 0 3 305.338 1.324 20 5 DDBDHN CO[C@]1(C)C[C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000296290075 409491718 /nfs/dbraw/zinc/49/17/18/409491718.db2.gz PBBLIZJFFVNODM-CZUORRHYSA-N 0 3 321.377 1.987 20 5 DDBDHN C[C@@H]1CCN(C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000354007494 409596170 /nfs/dbraw/zinc/59/61/70/409596170.db2.gz QDQWECMOTXLDPT-GFCCVEGCSA-N 0 3 307.350 1.526 20 5 DDBDHN CCN1CCCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000307853038 409779799 /nfs/dbraw/zinc/77/97/99/409779799.db2.gz CEUQYVHJVUHFGG-UHFFFAOYSA-N 0 3 306.366 1.804 20 5 DDBDHN C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)N1C ZINC000339611645 410328505 /nfs/dbraw/zinc/32/85/05/410328505.db2.gz GLWPKERAKRFTEM-PHIMTYICSA-N 0 3 303.366 1.996 20 5 DDBDHN CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000347004969 410306662 /nfs/dbraw/zinc/30/66/62/410306662.db2.gz KQGMVLTXUCCYCW-AWEZNQCLSA-N 0 3 319.361 1.669 20 5 DDBDHN CCCc1n[nH]c(C(=O)NC[C@H]2CCCN2CCC)c1[N+](=O)[O-] ZINC000343631476 410583815 /nfs/dbraw/zinc/58/38/15/410583815.db2.gz QSWQWNMAIKWAQM-LLVKDONJSA-N 0 3 323.397 1.875 20 5 DDBDHN Cc1cn[nH]c1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000356122417 410847553 /nfs/dbraw/zinc/84/75/53/410847553.db2.gz HAGYRKHJGPVAEJ-LLVKDONJSA-N 0 3 302.338 1.708 20 5 DDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)N1CCCC[C@H]1C ZINC000356149517 410864809 /nfs/dbraw/zinc/86/48/09/410864809.db2.gz HCCQAEIFKJKYQX-GHMZBOCLSA-N 0 3 309.370 1.321 20 5 DDBDHN C[C@H]1CC(C)(C)C[C@@](CO)(NCc2c([N+](=O)[O-])ncn2C)C1 ZINC000331125933 410965216 /nfs/dbraw/zinc/96/52/16/410965216.db2.gz NPDKSXMOPTYCFL-NHYWBVRUSA-N 0 3 310.398 1.995 20 5 DDBDHN COC[C@@]1(C)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296695819 226134081 /nfs/dbraw/zinc/13/40/81/226134081.db2.gz METGVWBEINTYQI-CJNGLKHVSA-N 0 3 324.377 1.693 20 5 DDBDHN COc1cccc(C(=O)NC[C@@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC000192509393 418524416 /nfs/dbraw/zinc/52/44/16/418524416.db2.gz PJHQRRMROYJXFQ-SNVBAGLBSA-N 0 3 307.350 1.816 20 5 DDBDHN Cc1cc(NCCNc2cnccn2)c2cc([N+](=O)[O-])ccc2n1 ZINC000360978436 418558656 /nfs/dbraw/zinc/55/86/56/418558656.db2.gz IIHJAZJFTUKDPL-UHFFFAOYSA-N 0 3 324.344 2.187 20 5 DDBDHN CN(C)CCn1nccc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000294048735 418582405 /nfs/dbraw/zinc/58/24/05/418582405.db2.gz LFLZQKDNKNIHNR-UHFFFAOYSA-N 0 3 318.337 1.187 20 5 DDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)CC1CCN(C)CC1 ZINC000291369311 222346754 /nfs/dbraw/zinc/34/67/54/222346754.db2.gz AFIXPUFXDIBJHW-UHFFFAOYSA-N 0 3 321.377 1.952 20 5 DDBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000361293309 418619423 /nfs/dbraw/zinc/61/94/23/418619423.db2.gz WNBCFRFCADELGR-RISCZKNCSA-N 0 3 304.350 1.546 20 5 DDBDHN O=[N+]([O-])c1cnn(CCN2CCC([C@H]3CCCOC3)CC2)c1 ZINC000367999796 418672575 /nfs/dbraw/zinc/67/25/75/418672575.db2.gz KIICJRHWGOCHGU-AWEZNQCLSA-N 0 3 308.382 1.930 20 5 DDBDHN COCCCN1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000375704914 418675089 /nfs/dbraw/zinc/67/50/89/418675089.db2.gz OGLCJERCCFOGKL-UHFFFAOYSA-N 0 3 308.382 1.726 20 5 DDBDHN CC[C@H]1[C@H](CO)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000385849881 418738237 /nfs/dbraw/zinc/73/82/37/418738237.db2.gz XKTKIJCYDLWFLX-STQMWFEESA-N 0 3 307.350 1.287 20 5 DDBDHN C[C@H]1COCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000371105292 418762529 /nfs/dbraw/zinc/76/25/29/418762529.db2.gz BIFRNKNGKQODLZ-GFCCVEGCSA-N 0 3 307.350 1.892 20 5 DDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]1CCO ZINC000426230008 419410816 /nfs/dbraw/zinc/41/08/16/419410816.db2.gz JTHPGXCFCIDNLL-STQMWFEESA-N 0 3 310.350 1.181 20 5 DDBDHN Cc1ccc(CN2C[C@H](C)N(CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000418112746 419542715 /nfs/dbraw/zinc/54/27/15/419542715.db2.gz LNOXLYBBJPMREP-UONOGXRCSA-N 0 3 307.394 1.790 20 5 DDBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421762475 419715937 /nfs/dbraw/zinc/71/59/37/419715937.db2.gz NCASECJYRMFJCH-UHFFFAOYSA-N 0 3 309.366 1.520 20 5 DDBDHN CCOc1ccc([C@@H](C)NC[C@@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000423520761 420070369 /nfs/dbraw/zinc/07/03/69/420070369.db2.gz QFVXIMRHQWMMAU-OCCSQVGLSA-N 0 3 322.409 1.548 20 5 DDBDHN C[C@]1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCCCN1 ZINC000423824035 420209610 /nfs/dbraw/zinc/20/96/10/420209610.db2.gz IXSLCPBNQQNMSP-OAHLLOKOSA-N 0 3 304.350 1.407 20 5 DDBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@H](c2nnc[nH]2)C1 ZINC000425553395 420416939 /nfs/dbraw/zinc/41/69/39/420416939.db2.gz UHMAPFGZPKPUJG-NSHDSACASA-N 0 3 303.322 1.581 20 5 DDBDHN Cc1c(CC(=O)N2CCN(C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000438840395 420466819 /nfs/dbraw/zinc/46/68/19/420466819.db2.gz YUFFYOBXKPXSNE-GFCCVEGCSA-N 0 3 305.378 1.998 20 5 DDBDHN C[C@H](C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000452970836 420691786 /nfs/dbraw/zinc/69/17/86/420691786.db2.gz GDMRKSNKBOJLPB-ZIBATOQPSA-N 0 3 321.352 2.000 20 5 DDBDHN O=C(NC[C@@H]1CCCCN1CCO)Nc1cccc([N+](=O)[O-])c1 ZINC000454139316 420805200 /nfs/dbraw/zinc/80/52/00/420805200.db2.gz DQGFJQJNTNLXHH-AWEZNQCLSA-N 0 3 322.365 1.563 20 5 DDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000449522434 421021655 /nfs/dbraw/zinc/02/16/55/421021655.db2.gz KTPROPGWHCEDRA-QCNRNOMUSA-N 0 3 315.329 1.203 20 5 DDBDHN CC(COC(=O)C(C)(C)CNC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000497144966 421372062 /nfs/dbraw/zinc/37/20/62/421372062.db2.gz GKEFAWHPOAACAY-VIFPVBQESA-N 0 3 304.343 1.746 20 5 DDBDHN COc1cc(C(=O)NCCN2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000562916498 421425653 /nfs/dbraw/zinc/42/56/53/421425653.db2.gz IKTMQUINZQFZBY-NSHDSACASA-N 0 3 307.350 1.675 20 5 DDBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000548731892 421467788 /nfs/dbraw/zinc/46/77/88/421467788.db2.gz LJQDKYVLLDTDRJ-ZDUSSCGKSA-N 0 3 306.366 1.840 20 5 DDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000552025164 421568127 /nfs/dbraw/zinc/56/81/27/421568127.db2.gz AXZWYEMCUUINEL-INIZCTEOSA-N 0 3 319.361 1.090 20 5 DDBDHN CCCN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000552041489 421570323 /nfs/dbraw/zinc/57/03/23/421570323.db2.gz UHUCPCMNFWVTBK-UHFFFAOYSA-N 0 3 308.382 1.881 20 5 DDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2cccc(O)c2)c1 ZINC000571277577 421701856 /nfs/dbraw/zinc/70/18/56/421701856.db2.gz MANVRLMTCBTMDN-OAHLLOKOSA-N 0 3 318.329 1.830 20 5 DDBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000520366851 421747097 /nfs/dbraw/zinc/74/70/97/421747097.db2.gz IUZCQOXOYSTCJD-NWDGAFQWSA-N 0 3 308.382 1.784 20 5 DDBDHN COc1ccc(CC(=O)N2C[C@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000575398930 422296839 /nfs/dbraw/zinc/29/68/39/422296839.db2.gz FRRQNOFWUYOZFC-QWRGUYRKSA-N 0 3 307.350 1.355 20 5 DDBDHN CCN(CC)C[C@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000341799776 271215918 /nfs/dbraw/zinc/21/59/18/271215918.db2.gz CMSTVRJLDZLITJ-NSHDSACASA-N 0 3 322.365 1.380 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(N2CCCN([C@H](C)CO)CC2)c1 ZINC000338706022 274117797 /nfs/dbraw/zinc/11/77/97/274117797.db2.gz RBHUHPAAFLIBKD-GFCCVEGCSA-N 0 3 309.366 1.496 20 5 DDBDHN CC[C@H](CNS(C)(=O)=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296658228 287862213 /nfs/dbraw/zinc/86/22/13/287862213.db2.gz ZNTCVBCUAYVASQ-CMPLNLGQSA-N 0 3 315.395 1.573 20 5 DDBDHN CCN1CC[C@H]2OCCN(CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293161074 276235494 /nfs/dbraw/zinc/23/54/94/276235494.db2.gz FOCNWHNXAFSCCW-DLBZAZTESA-N 0 3 319.405 1.932 20 5 DDBDHN CN1CCNC[C@@H]1CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423522047 277116380 /nfs/dbraw/zinc/11/63/80/277116380.db2.gz RENADVVNARJTTA-CZUORRHYSA-N 0 3 318.421 1.810 20 5 DDBDHN CC(C)[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000159650505 277721835 /nfs/dbraw/zinc/72/18/35/277721835.db2.gz LJLODJZHNLEQGV-AWEZNQCLSA-N 0 3 308.382 1.709 20 5 DDBDHN C[C@@H](NCCCN1CCC[C@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000268966065 278345070 /nfs/dbraw/zinc/34/50/70/278345070.db2.gz YMDCZEFZDXGTBS-DOMZBBRYSA-N 0 3 320.393 1.585 20 5 DDBDHN CN1CCC[C@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000120685936 281123334 /nfs/dbraw/zinc/12/33/34/281123334.db2.gz MZELINPHZARZCX-CQSZACIVSA-N 0 3 320.393 1.778 20 5 DDBDHN C[C@@H]1CCN(C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000353994487 298333571 /nfs/dbraw/zinc/33/35/71/298333571.db2.gz FTWRESXHQLUGSQ-CYBMUJFWSA-N 0 3 320.393 1.949 20 5 DDBDHN C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000357965267 299034779 /nfs/dbraw/zinc/03/47/79/299034779.db2.gz QTTVCIBXTITYGH-GHMZBOCLSA-N 0 3 309.370 1.321 20 5 DDBDHN CCO[C@H]1COCC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000362022920 299987097 /nfs/dbraw/zinc/98/70/97/299987097.db2.gz HPIDIZZXBXKCLT-CABCVRRESA-N 0 3 310.350 1.757 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000368596592 301061309 /nfs/dbraw/zinc/06/13/09/301061309.db2.gz VMBVMCJIFIDKHT-YGRLFVJLSA-N 0 3 304.350 1.343 20 5 DDBDHN COC(=O)CN1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000370025974 301260652 /nfs/dbraw/zinc/26/06/52/301260652.db2.gz LEHSMCTWBDXONO-UHFFFAOYSA-N 0 3 321.377 1.318 20 5 DDBDHN Cc1nn(CCC(=O)NC[C@H](C)N2CCCC2)c(C)c1[N+](=O)[O-] ZINC000523224025 302894973 /nfs/dbraw/zinc/89/49/73/302894973.db2.gz HTIGIYYMNPPVBN-NSHDSACASA-N 0 3 323.397 1.399 20 5 DDBDHN CN(C)CCN(Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531887227 303264007 /nfs/dbraw/zinc/26/40/07/303264007.db2.gz OSVZSWVGWCZOQV-UHFFFAOYSA-N 0 3 318.333 1.787 20 5 DDBDHN CS[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@H]1N1CCCC1 ZINC000548364322 303585395 /nfs/dbraw/zinc/58/53/95/303585395.db2.gz GWFHRJFDVIQJSO-GHMZBOCLSA-N 0 3 311.411 1.344 20 5 DDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(C(F)F)CC2)c1 ZINC000361694737 307003308 /nfs/dbraw/zinc/00/33/08/307003308.db2.gz ZMGHIHTWWJREFQ-LLVKDONJSA-N 0 3 304.297 1.129 20 5 DDBDHN N[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1c1ccc(F)cc1 ZINC000364164730 307042540 /nfs/dbraw/zinc/04/25/40/307042540.db2.gz BSTTUAHIMLLDOI-RYUDHWBXSA-N 0 3 319.292 1.894 20 5 DDBDHN CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)[C@H]2C1 ZINC000367253621 307089843 /nfs/dbraw/zinc/08/98/43/307089843.db2.gz SQYSIDXJDYWSPB-OTYXRUKQSA-N 0 3 322.340 1.482 20 5 DDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](C[C@H]3CCOC3)C2)n1 ZINC000373142416 307180407 /nfs/dbraw/zinc/18/04/07/307180407.db2.gz TWHLPVPDYYFKIS-UONOGXRCSA-N 0 3 308.382 1.930 20 5 DDBDHN O=C1O[C@@H](CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC12CC2 ZINC000373220278 307181916 /nfs/dbraw/zinc/18/19/16/307181916.db2.gz NDBYWDFLMSNLEM-GFCCVEGCSA-N 0 3 320.349 1.524 20 5 DDBDHN NC(=O)c1ccc(CN2CCC[C@@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421024312 484112475 /nfs/dbraw/zinc/11/24/75/484112475.db2.gz XELBOZZOWWELHF-GFCCVEGCSA-N 0 3 321.377 1.678 20 5 DDBDHN C[C@@H]1CCN[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000422939801 534106296 /nfs/dbraw/zinc/10/62/96/534106296.db2.gz RVDKKUXTYYBYPX-RISCZKNCSA-N 0 3 306.366 1.511 20 5 DDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2CCCO)c1 ZINC000452363784 534319059 /nfs/dbraw/zinc/31/90/59/534319059.db2.gz MDNSZGZSKIRVDO-ZDUSSCGKSA-N 0 3 321.377 1.480 20 5 DDBDHN CNC(=O)c1ccc(N[C@@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000336859131 536434977 /nfs/dbraw/zinc/43/49/77/536434977.db2.gz FIZDEHBJZDGWGA-CMPLNLGQSA-N 0 3 306.366 1.849 20 5 DDBDHN C[N@@H+]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736848360 598243581 /nfs/dbraw/zinc/24/35/81/598243581.db2.gz LWEXFPVSDIVDGU-VIFPVBQESA-N 0 3 303.326 1.139 20 5 DDBDHN C[N@H+]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736848360 598243582 /nfs/dbraw/zinc/24/35/82/598243582.db2.gz LWEXFPVSDIVDGU-VIFPVBQESA-N 0 3 303.326 1.139 20 5 DDBDHN C[N@@H+]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736848360 598243584 /nfs/dbraw/zinc/24/35/84/598243584.db2.gz LWEXFPVSDIVDGU-VIFPVBQESA-N 0 3 303.326 1.139 20 5 DDBDHN C[N@H+]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736848360 598243586 /nfs/dbraw/zinc/24/35/86/598243586.db2.gz LWEXFPVSDIVDGU-VIFPVBQESA-N 0 3 303.326 1.139 20 5 DDBDHN CC1(C)CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCN1 ZINC000747921055 700092404 /nfs/dbraw/zinc/09/24/04/700092404.db2.gz HXGZZOJKMVUUSH-UHFFFAOYSA-N 0 3 317.349 1.155 20 5 DDBDHN NC(=O)CC[C@@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583018 698121381 /nfs/dbraw/zinc/12/13/81/698121381.db2.gz YNVFMJQMUPIYEW-WFASDCNBSA-N 0 3 321.377 1.606 20 5 DDBDHN C/C=C(\C)C(=O)N1CCC(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000990844582 699171760 /nfs/dbraw/zinc/17/17/60/699171760.db2.gz HZQMGWSRHRDRJI-NYYWCZLTSA-N 0 3 321.381 1.375 20 5 DDBDHN CN1CC[C@](O)(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000762719246 700904411 /nfs/dbraw/zinc/90/44/11/700904411.db2.gz RCJQGNXUCGHGLD-ZDUSSCGKSA-N 0 3 313.741 1.045 20 5 DDBDHN O=C1[C@H](N[C@@H](CO)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000771812342 701332328 /nfs/dbraw/zinc/33/23/28/701332328.db2.gz HMLNNPYFCUEOOS-KGLIPLIRSA-N 0 3 305.334 1.061 20 5 DDBDHN Cc1ccc(C)n1-c1c(C(=O)OCC(C)[N+](=O)[O-])cnn1C ZINC000813112075 702296901 /nfs/dbraw/zinc/29/69/01/702296901.db2.gz NBOKJARBJMBPMR-LLVKDONJSA-N 0 3 306.322 1.650 20 5 DDBDHN CC(COC(=O)CCCNC(=O)NC1CCCCC1)[N+](=O)[O-] ZINC000813110871 702297434 /nfs/dbraw/zinc/29/74/34/702297434.db2.gz LEOZZWKAKHOPCE-NSHDSACASA-N 0 3 315.370 1.607 20 5 DDBDHN CC(COC(=O)[C@H](C)NC(=O)CC1CCCCC1)[N+](=O)[O-] ZINC000813114742 702299077 /nfs/dbraw/zinc/29/90/77/702299077.db2.gz VZSPCCAUHXZKSR-MNOVXSKESA-N 0 3 300.355 1.670 20 5 DDBDHN CCn1cc([N+](=O)[O-])c(C(=O)OC[C@@H](C)N2CCCCC2)n1 ZINC000847961718 703487810 /nfs/dbraw/zinc/48/78/10/703487810.db2.gz CJTKUUJOTVUIFO-LLVKDONJSA-N 0 3 310.354 1.842 20 5 DDBDHN CC(COC(=O)c1ccc(Nc2ccn(C)n2)cc1)[N+](=O)[O-] ZINC000851036028 703774674 /nfs/dbraw/zinc/77/46/74/703774674.db2.gz DSPWUHGSGYCUMD-JTQLQIEISA-N 0 3 304.306 1.986 20 5 DDBDHN Cc1cc(Cl)c(C(=O)N[C@@H](CO)CN(C)C)cc1[N+](=O)[O-] ZINC000854463213 704401507 /nfs/dbraw/zinc/40/15/07/704401507.db2.gz ANVBNBPUEPFVFV-SECBINFHSA-N 0 3 315.757 1.209 20 5 DDBDHN CCN(CCO)CCNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000822010659 704860369 /nfs/dbraw/zinc/86/03/69/704860369.db2.gz CJQQHCOSVWCKFQ-UHFFFAOYSA-N 0 3 309.366 1.256 20 5 DDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)c1 ZINC000874845995 705200907 /nfs/dbraw/zinc/20/09/07/705200907.db2.gz XBZSUSUIASOXQE-CABCVRRESA-N 0 3 319.361 1.912 20 5 DDBDHN CN1CC[C@@](O)(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000860826877 705293463 /nfs/dbraw/zinc/29/34/63/705293463.db2.gz PTVPFQICQXKUKV-CYBMUJFWSA-N 0 3 313.741 1.045 20 5 DDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000863032407 705852624 /nfs/dbraw/zinc/85/26/24/705852624.db2.gz ODUKBJYEQVPWBM-ZDUSSCGKSA-N 0 3 318.377 1.924 20 5 DDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827035606 705915976 /nfs/dbraw/zinc/91/59/76/705915976.db2.gz RPHTYFSOPSWULA-KMUNFCNLSA-N 0 3 319.361 1.227 20 5 DDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000897218458 708256608 /nfs/dbraw/zinc/25/66/08/708256608.db2.gz CUFOEWYKWTUBCP-CHWSQXEVSA-N 0 3 323.397 1.155 20 5 DDBDHN CN(CCO)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000884823397 708387048 /nfs/dbraw/zinc/38/70/48/708387048.db2.gz SWRZGIRJXKLKAM-UHFFFAOYSA-N 0 3 307.272 1.950 20 5 DDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886157757 708707357 /nfs/dbraw/zinc/70/73/57/708707357.db2.gz KFGJKHKYDKQAQJ-GFCCVEGCSA-N 0 3 308.382 1.267 20 5 DDBDHN COc1ccc(C)cc1C1(CNCC[N+](=O)[O-])CCOCC1 ZINC000899873349 709223739 /nfs/dbraw/zinc/22/37/39/709223739.db2.gz NGJBYBQXPYUSQC-UHFFFAOYSA-N 0 3 308.378 1.918 20 5 DDBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889778944 709631645 /nfs/dbraw/zinc/63/16/45/709631645.db2.gz CEBSESVAAWCXKD-HUUCEWRRSA-N 0 3 319.361 1.266 20 5 DDBDHN CC(COC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1)[N+](=O)[O-] ZINC000893048530 710546891 /nfs/dbraw/zinc/54/68/91/710546891.db2.gz XCNNWGLIYOGGHI-BHYNMZESSA-N 0 3 324.308 1.554 20 5 DDBDHN C[C@@H](CN(C)C)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893857503 710859374 /nfs/dbraw/zinc/85/93/74/710859374.db2.gz PTGFZJQRKGFLPN-JTQLQIEISA-N 0 3 304.350 1.809 20 5 DDBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@H](CO)[C@H]1CCOC1 ZINC000894189916 711008121 /nfs/dbraw/zinc/00/81/21/711008121.db2.gz LAQKEPQVMHWGMQ-RYUDHWBXSA-N 0 3 314.769 1.983 20 5 DDBDHN COc1ccc(CNC(=O)N[C@@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000914300031 713373085 /nfs/dbraw/zinc/37/30/85/713373085.db2.gz HTEHOWVAIWSVAU-CMPLNLGQSA-N 0 3 322.365 1.495 20 5 DDBDHN CCc1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)c1[N+](=O)[O-] ZINC000923295039 714300809 /nfs/dbraw/zinc/30/08/09/714300809.db2.gz QUUMHVCVHMDJCX-ZJUUUORDSA-N 0 3 307.354 1.189 20 5 DDBDHN CCc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)c1[N+](=O)[O-] ZINC000923295039 714300811 /nfs/dbraw/zinc/30/08/11/714300811.db2.gz QUUMHVCVHMDJCX-ZJUUUORDSA-N 0 3 307.354 1.189 20 5 DDBDHN CC(C)N1CCC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000932455631 714336396 /nfs/dbraw/zinc/33/63/96/714336396.db2.gz MGTPULJXCJEJCM-OAHLLOKOSA-N 0 3 321.377 1.963 20 5 DDBDHN O=C1NC[C@H](O)CC12CCN(Cc1ccccc1[N+](=O)[O-])CC2 ZINC000932831031 714422082 /nfs/dbraw/zinc/42/20/82/714422082.db2.gz LCFNWULEEVYOHX-CYBMUJFWSA-N 0 3 319.361 1.058 20 5 DDBDHN CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCN1 ZINC000934055516 714732888 /nfs/dbraw/zinc/73/28/88/714732888.db2.gz LETFYCHTNJJSHT-UONOGXRCSA-N 0 3 303.362 1.909 20 5 DDBDHN CC1(C)CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCN1 ZINC000934055508 714733112 /nfs/dbraw/zinc/73/31/12/714733112.db2.gz LETFYCHTNJJSHT-KBPBESRZSA-N 0 3 303.362 1.909 20 5 DDBDHN