smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(C)c(C(=O)N[C@H](CN(C)C)c2ccccc2)c1[N+](=O)[O-] ZINC000098096980 138297632 /nfs/dbraw/zinc/29/76/32/138297632.db2.gz IJLRVZFYJQWJTL-CYBMUJFWSA-N 0 3 331.376 1.669 10 5 EDBEHN CC(C)[C@@](C)(C[NH3+])[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000155959097 201397815 /nfs/dbraw/zinc/39/78/15/201397815.db2.gz LVBQMEBXRCEQRB-GFCCVEGCSA-N 0 3 335.813 1.900 10 5 EDBEHN COC(=O)[C@H](C)CN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000071638405 203100891 /nfs/dbraw/zinc/10/08/91/203100891.db2.gz GOWXDFPOORWFBA-GFCCVEGCSA-N 0 3 337.376 1.408 10 5 EDBEHN Cc1cc(Br)c(NC(=O)[C@H]2COC[C@@H]2N)cc1[N+](=O)[O-] ZINC000169226325 226235421 /nfs/dbraw/zinc/23/54/21/226235421.db2.gz AUZZNBQEWUNHPH-CBAPKCEASA-N 0 3 344.165 1.578 10 5 EDBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000113230001 441591087 /nfs/dbraw/zinc/59/10/87/441591087.db2.gz LRJIYTXQTMOIFR-VXGBXAGGSA-N 0 3 337.351 1.808 10 5 EDBEHN COCCN1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000117289356 441866842 /nfs/dbraw/zinc/86/68/42/441866842.db2.gz GUITWAXBGAUTDY-LLVKDONJSA-N 0 3 347.375 1.264 10 5 EDBEHN CCN(CC)[C@H]1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125650699 442039123 /nfs/dbraw/zinc/03/91/23/442039123.db2.gz WUNTWXYWHXZXKA-ZDUSSCGKSA-N 0 3 341.433 1.919 10 5 EDBEHN CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000155094751 442375364 /nfs/dbraw/zinc/37/53/64/442375364.db2.gz ZWFYWZQEYKSQDY-DOMZBBRYSA-N 0 3 341.433 1.743 10 5 EDBEHN CCN1CCC[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000194659393 273004715 /nfs/dbraw/zinc/00/47/15/273004715.db2.gz URVOQOJZXMMEQE-CQSZACIVSA-N 0 3 343.387 1.995 10 5 EDBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000113232814 441591163 /nfs/dbraw/zinc/59/11/63/441591163.db2.gz RGKYMESPRRWLQM-GXTWGEPZSA-N 0 3 347.371 1.481 10 5 EDBEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000121869735 441799735 /nfs/dbraw/zinc/79/97/35/441799735.db2.gz WSVHSOYTSFIVIS-ZDUSSCGKSA-N 0 3 336.392 1.626 10 5 EDBEHN CC(=O)N[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000077169955 201181446 /nfs/dbraw/zinc/18/14/46/201181446.db2.gz UXGCUONYUMSMPV-CQSZACIVSA-N 0 3 334.376 1.524 10 5 EDBEHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCCO2 ZINC000174704420 207047522 /nfs/dbraw/zinc/04/75/22/207047522.db2.gz CKSBMBHUQIVTEE-FZMZJTMJSA-N 0 3 348.359 1.274 10 5 EDBEHN O=[N+]([O-])c1cc(I)ccc1N1CCNCC1 ZINC000085101174 275033870 /nfs/dbraw/zinc/03/38/70/275033870.db2.gz YFPMLRAOTJAHPY-UHFFFAOYSA-N 0 3 333.129 1.609 10 5 EDBEHN Cn1cc([C@H]2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000116323304 441812813 /nfs/dbraw/zinc/81/28/13/441812813.db2.gz FFLSGFRVKJXOPJ-BBRMVZONSA-N 0 3 346.387 1.558 10 5 EDBEHN CN(C)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCO1 ZINC000116790173 441847326 /nfs/dbraw/zinc/84/73/26/441847326.db2.gz XSTABWJRHXYWFM-ZDUSSCGKSA-N 0 3 336.392 1.063 10 5 EDBEHN CNC(=O)[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000183653072 442949890 /nfs/dbraw/zinc/94/98/90/442949890.db2.gz UBPPKXBLXARKRQ-OAHLLOKOSA-N 0 3 336.392 1.592 10 5 EDBEHN Cc1nn(CCC(=O)N[C@H](CC(C)C)CN(C)C)c(C)c1[N+](=O)[O-] ZINC000102339808 219196429 /nfs/dbraw/zinc/19/64/29/219196429.db2.gz XCTRSJOMVVVGAV-CQSZACIVSA-N 0 3 339.440 1.891 10 5 EDBEHN Cn1cc(CNC[C@H]2CN(C)CCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105471047 204147068 /nfs/dbraw/zinc/14/70/68/204147068.db2.gz WSGOHWRJIYIDEF-INIZCTEOSA-N 0 3 345.403 1.416 10 5 EDBEHN COc1cc(CN2CCO[C@@H](CN(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000128151329 205133945 /nfs/dbraw/zinc/13/39/45/205133945.db2.gz GEGVYEVPUUJPKI-ZDUSSCGKSA-N 0 3 339.392 1.374 10 5 EDBEHN COCC[C@@H](N)C(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000052792622 206114775 /nfs/dbraw/zinc/11/47/75/206114775.db2.gz PYVMAIAQZMNNTD-MRVPVSSYSA-N 0 3 332.154 1.660 10 5 EDBEHN CCn1cc(C2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)cn1 ZINC000090523892 441632707 /nfs/dbraw/zinc/63/27/07/441632707.db2.gz GABQGUDFFZIJTG-UHFFFAOYSA-N 0 3 345.403 1.853 10 5 EDBEHN COc1ccc(NC(=O)CN2CCN3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246232362 536766710 /nfs/dbraw/zinc/76/67/10/536766710.db2.gz CIXAMZSOLWRQJQ-LBPRGKRZSA-N 0 3 334.376 1.322 10 5 EDBEHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000173727594 281195244 /nfs/dbraw/zinc/19/52/44/281195244.db2.gz WJUIXQGYGPGHFV-GXTWGEPZSA-N 0 3 339.417 1.842 10 5 EDBEHN C[C@H](N[C@@H]1CCc2ncnn2C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000105870587 441300271 /nfs/dbraw/zinc/30/02/71/441300271.db2.gz SLKCEJJRPHFMCO-WDEREUQCSA-N 0 3 330.348 1.118 10 5 EDBEHN Cc1nc(C)n(C[C@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000176233841 442196724 /nfs/dbraw/zinc/19/67/24/442196724.db2.gz BFKIYSXLTMFDBY-AWEZNQCLSA-N 0 3 333.396 1.412 10 5 EDBEHN COC(=O)c1cc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000155348774 442389537 /nfs/dbraw/zinc/38/95/37/442389537.db2.gz DFONJNAUCFEYRU-ABAIWWIYSA-N 0 3 349.387 1.840 10 5 EDBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCO[C@H](CN(C)C)C1 ZINC000155270993 534339766 /nfs/dbraw/zinc/33/97/66/534339766.db2.gz HPOAUHXBMMMYSF-CQSZACIVSA-N 0 3 336.392 1.104 10 5 EDBEHN C[C@]1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCCCN1 ZINC000180991706 234054066 /nfs/dbraw/zinc/05/40/66/234054066.db2.gz LTNVIRYBPYXRRU-QGZVFWFLSA-N 0 3 332.404 1.776 10 5 EDBEHN CC(=O)N[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000077169956 201181989 /nfs/dbraw/zinc/18/19/89/201181989.db2.gz UXGCUONYUMSMPV-AWEZNQCLSA-N 0 3 334.376 1.524 10 5 EDBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000150802217 441953464 /nfs/dbraw/zinc/95/34/64/441953464.db2.gz SQGNOMWHWCVNTB-RISCZKNCSA-N 0 3 334.376 1.378 10 5 EDBEHN CCCCOC[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000195188969 442995298 /nfs/dbraw/zinc/99/52/98/442995298.db2.gz QJMWERJALHEDCW-DZGCQCFKSA-N 0 3 338.408 1.654 10 5 EDBEHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000246256774 139101298 /nfs/dbraw/zinc/10/12/98/139101298.db2.gz KESAYPNSCBUEME-CJNGLKHVSA-N 0 3 331.376 1.632 10 5 EDBEHN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246704468 139118074 /nfs/dbraw/zinc/11/80/74/139118074.db2.gz NCNZZEMYOAEHOL-DOMZBBRYSA-N 0 3 339.417 1.593 10 5 EDBEHN Cn1cc([C@H]2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000246867017 139124974 /nfs/dbraw/zinc/12/49/74/139124974.db2.gz FFLSGFRVKJXOPJ-XJKSGUPXSA-N 0 3 346.387 1.558 10 5 EDBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000249212533 139189314 /nfs/dbraw/zinc/18/93/14/139189314.db2.gz SPWCMEFUBZZOBW-FZMZJTMJSA-N 0 3 332.360 1.228 10 5 EDBEHN Cc1cc(NC(=O)NC[C@@H](O)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000153838894 442306454 /nfs/dbraw/zinc/30/64/54/442306454.db2.gz ZNNFEMFISVFURN-CQSZACIVSA-N 0 3 336.392 1.872 10 5 EDBEHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000173726508 287225446 /nfs/dbraw/zinc/22/54/46/287225446.db2.gz ITMSGBXWJKHGSX-CHWSQXEVSA-N 0 3 339.417 1.842 10 5 EDBEHN COCC[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000052792562 214145547 /nfs/dbraw/zinc/14/55/47/214145547.db2.gz ZGUGFYODNWNXPR-SECBINFHSA-N 0 3 332.154 1.660 10 5 EDBEHN CC(C)N(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000054132208 214217856 /nfs/dbraw/zinc/21/78/56/214217856.db2.gz VUDULQTWGXLAAZ-UHFFFAOYSA-N 0 3 335.813 1.867 10 5 EDBEHN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000166045902 529568346 /nfs/dbraw/zinc/56/83/46/529568346.db2.gz NITJMQSLYQWUGL-ZCFIWIBFSA-N 0 3 342.204 1.917 10 5 EDBEHN Cc1c(F)cc(S(=O)(=O)[N-]CC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000193265425 138965119 /nfs/dbraw/zinc/96/51/19/138965119.db2.gz ARWGTVDUAZUCDK-SNVBAGLBSA-N 0 3 331.369 1.320 10 5 EDBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000252443617 139204460 /nfs/dbraw/zinc/20/44/60/139204460.db2.gz DBLNRFAEAFREBN-JSGCOSHPSA-N 0 3 332.404 1.970 10 5 EDBEHN C[C@@H](N[C@@H]1CCc2ncnn2C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000105870589 441301537 /nfs/dbraw/zinc/30/15/37/441301537.db2.gz SLKCEJJRPHFMCO-GHMZBOCLSA-N 0 3 330.348 1.118 10 5 EDBEHN CC[C@H](NC(=O)NC[C@](C)(O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090689150 441641777 /nfs/dbraw/zinc/64/17/77/441641777.db2.gz ADSZWKYWTLYJBM-HOCLYGCPSA-N 0 3 338.408 1.658 10 5 EDBEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000176885764 442266813 /nfs/dbraw/zinc/26/68/13/442266813.db2.gz KGANKZNQAKHUKD-CQSZACIVSA-N 0 3 348.403 1.784 10 5 EDBEHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](CN(C)C)c2ccccc2)n1 ZINC000191476206 443299888 /nfs/dbraw/zinc/29/98/88/443299888.db2.gz YWAJTKZYIUBUEI-CYBMUJFWSA-N 0 3 331.376 1.844 10 5 EDBEHN COc1cc(-c2nc([C@@H]3CNCCN3C)no2)cc([N+](=O)[O-])c1OC ZINC000263113717 536868853 /nfs/dbraw/zinc/86/88/53/536868853.db2.gz AMETUUFYCZOATF-NSHDSACASA-N 0 3 349.347 1.238 10 5 EDBEHN CC(C)N1CCC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000022999806 212341988 /nfs/dbraw/zinc/34/19/88/212341988.db2.gz BUXSZIQNGRLJLI-UHFFFAOYSA-N 0 3 341.433 1.994 10 5 EDBEHN CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000247170451 139138678 /nfs/dbraw/zinc/13/86/78/139138678.db2.gz REUXXYYRYBKIBL-SWLSCSKDSA-N 0 3 341.433 1.743 10 5 EDBEHN COc1cc(OCC(=O)N2C[C@@H]3CCCN3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000247457460 139149145 /nfs/dbraw/zinc/14/91/45/139149145.db2.gz QMILSVMEWLFTRY-STQMWFEESA-N 0 3 349.387 1.677 10 5 EDBEHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN2CCC[C@H]2C1 ZINC000171903480 533221275 /nfs/dbraw/zinc/22/12/75/533221275.db2.gz BNYZMPFUJRZAPR-AWEZNQCLSA-N 0 3 334.376 1.593 10 5 EDBEHN COCC[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159462598 225221408 /nfs/dbraw/zinc/22/14/08/225221408.db2.gz GRVDZVQGFOVZGZ-VIFPVBQESA-N 0 3 332.154 1.660 10 5 EDBEHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185855380 288313357 /nfs/dbraw/zinc/31/33/57/288313357.db2.gz ZWJYWDREPAEUDV-GXTWGEPZSA-N 0 3 339.417 1.842 10 5 EDBEHN CCN1CCC[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000188892742 442837229 /nfs/dbraw/zinc/83/72/29/442837229.db2.gz HWTURBGNJDNHHG-ZDUSSCGKSA-N 0 3 348.403 1.852 10 5 EDBEHN CC[C@H]1CN(Cn2ncc3cc([N+](=O)[O-])ccc32)CCN1CCOC ZINC000117324817 595629344 /nfs/dbraw/zinc/62/93/44/595629344.db2.gz MCWAGKHPCOOJGN-HNNXBMFYSA-N 0 3 347.419 1.945 10 5 EDBEHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C[NH3+])cc1C ZINC000237667259 301427484 /nfs/dbraw/zinc/42/74/84/301427484.db2.gz VDOFZOMEVPKDOX-NEPJUHHUSA-N 0 3 327.406 1.617 10 5 EDBEHN [NH3+][C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000038050107 303453718 /nfs/dbraw/zinc/45/37/18/303453718.db2.gz ZWZWVQVGKXXZAN-GHMZBOCLSA-N 0 3 333.797 1.796 10 5 EDBEHN COc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000160613268 441901734 /nfs/dbraw/zinc/90/17/34/441901734.db2.gz DHGSGUGOTBPXNE-CYBMUJFWSA-N 0 3 337.376 1.180 10 5 EDBEHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000120692990 442119087 /nfs/dbraw/zinc/11/90/87/442119087.db2.gz OCGMCBOZTXWIND-AWEZNQCLSA-N 0 3 331.376 1.519 10 5 EDBEHN C[C@H](CCn1cccn1)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000157828102 442617287 /nfs/dbraw/zinc/61/72/87/442617287.db2.gz ISIVQDDWGFPAJR-UHOFOFEASA-N 0 3 334.376 1.254 10 5 EDBEHN CCc1n[nH]c(C(=O)N[C@@H](CN(C)C)c2ccccc2)c1[N+](=O)[O-] ZINC000195342418 536005058 /nfs/dbraw/zinc/00/50/58/536005058.db2.gz VABJUGMNQBGSNK-ZDUSSCGKSA-N 0 3 331.376 1.913 10 5 EDBEHN CN(C)C[C@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000117037888 221026631 /nfs/dbraw/zinc/02/66/31/221026631.db2.gz XURIGKDEOCQDOM-HNNXBMFYSA-N 0 3 336.392 1.109 10 5 EDBEHN CN(C)C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCO1 ZINC000105927334 441317997 /nfs/dbraw/zinc/31/79/97/441317997.db2.gz UYCPZBMCCNSVMM-CQSZACIVSA-N 0 3 347.375 1.407 10 5 EDBEHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)C1CC1 ZINC000091481731 441706117 /nfs/dbraw/zinc/70/61/17/441706117.db2.gz NMHBYSAQQZBTBS-CYBMUJFWSA-N 0 3 327.406 1.750 10 5 EDBEHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000116794039 441848031 /nfs/dbraw/zinc/84/80/31/441848031.db2.gz MTCPFKUWBOQWLJ-NSHDSACASA-N 0 3 339.417 1.719 10 5 EDBEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000176898215 442269642 /nfs/dbraw/zinc/26/96/42/442269642.db2.gz NRUOSLFFQONUSC-CYBMUJFWSA-N 0 3 348.403 1.784 10 5 EDBEHN Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000190082670 443054417 /nfs/dbraw/zinc/05/44/17/443054417.db2.gz QPASQACPEPSRJJ-GXTWGEPZSA-N 0 3 346.387 1.537 10 5 EDBEHN C[NH2+]CC[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000166042795 529978684 /nfs/dbraw/zinc/97/86/84/529978684.db2.gz CNLUYTUBFBRQHE-UHFFFAOYSA-N 0 3 328.177 1.399 10 5 EDBEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246508806 139111401 /nfs/dbraw/zinc/11/14/01/139111401.db2.gz SQGNOMWHWCVNTB-SMDDNHRTSA-N 0 3 334.376 1.378 10 5 EDBEHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000179580447 442477934 /nfs/dbraw/zinc/47/79/34/442477934.db2.gz XQQUPGBTGKJVMP-CQSZACIVSA-N 0 3 335.404 1.923 10 5 EDBEHN O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCN2CCC[C@@H]2C1 ZINC000183039179 442869328 /nfs/dbraw/zinc/86/93/28/442869328.db2.gz LKWJQRYPTQJMTP-MLGOLLRUSA-N 0 3 344.371 1.394 10 5 EDBEHN O=c1[nH]cnc2cc(NC[C@H](O)CN3CCCCC3)c([N+](=O)[O-])cc12 ZINC000174683802 231279636 /nfs/dbraw/zinc/27/96/36/231279636.db2.gz JRGGWJOPEGXKNL-NSHDSACASA-N 0 3 347.375 1.090 10 5 EDBEHN COc1cc(OCC(=O)N2CCN3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000195338805 139014932 /nfs/dbraw/zinc/01/49/32/139014932.db2.gz SJWSIJWJEZPKEE-LBPRGKRZSA-N 0 3 335.360 1.289 10 5 EDBEHN Cn1cc([C@@H]2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000246867005 139124970 /nfs/dbraw/zinc/12/49/70/139124970.db2.gz FFLSGFRVKJXOPJ-CZUORRHYSA-N 0 3 346.387 1.558 10 5 EDBEHN CC[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000247083506 139135005 /nfs/dbraw/zinc/13/50/05/139135005.db2.gz HDJFOYQMMHRLHZ-GJZGRUSLSA-N 0 3 337.420 1.751 10 5 EDBEHN C[C@H](O)CN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000247436775 139148468 /nfs/dbraw/zinc/14/84/68/139148468.db2.gz ZGKSOGOJVNPNGL-CABCVRRESA-N 0 3 337.420 1.751 10 5 EDBEHN CSc1ccc([N+](=O)[O-])c(-c2nc([C@@H]3CNCCN3C)no2)c1 ZINC000263282380 139333058 /nfs/dbraw/zinc/33/30/58/139333058.db2.gz UMMKSAZWJGKSTI-LBPRGKRZSA-N 0 3 335.389 1.943 10 5 EDBEHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](CN(C)C)C1 ZINC000155292578 533327294 /nfs/dbraw/zinc/32/72/94/533327294.db2.gz MKXDJPZFAVJBJH-SWLSCSKDSA-N 0 3 336.392 1.184 10 5 EDBEHN CCN1CCC[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000052502281 287222422 /nfs/dbraw/zinc/22/24/22/287222422.db2.gz JFPLFXGGKILADU-CYBMUJFWSA-N 0 3 335.408 1.790 10 5 EDBEHN Cc1c(Br)c(OC[C@@H]2CNCCO2)ncc1[N+](=O)[O-] ZINC000164065993 226041396 /nfs/dbraw/zinc/04/13/96/226041396.db2.gz ZPNDYEHRLQVUPP-QMMMGPOBSA-N 0 3 332.154 1.428 10 5 EDBEHN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCN2CCC[C@H]2C1 ZINC000171867233 227325413 /nfs/dbraw/zinc/32/54/13/227325413.db2.gz DULVSSXQCBZXIS-LBPRGKRZSA-N 0 3 342.355 1.357 10 5 EDBEHN COc1ccc(OCCN2CCO[C@H](CN(C)C)C2)c([N+](=O)[O-])c1 ZINC000173702044 441827073 /nfs/dbraw/zinc/82/70/73/441827073.db2.gz SQUFXJZFGXKBQL-CQSZACIVSA-N 0 3 339.392 1.245 10 5 EDBEHN Cc1c(NC(=O)NC[C@H](O)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000043346181 441836520 /nfs/dbraw/zinc/83/65/20/441836520.db2.gz MWPBZJYEASHVRJ-ZDUSSCGKSA-N 0 3 336.392 1.872 10 5 EDBEHN CN(C)C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1 ZINC000135174070 442565462 /nfs/dbraw/zinc/56/54/62/442565462.db2.gz KAOLWUMZUVRVKG-ZDUSSCGKSA-N 0 3 327.768 1.651 10 5 EDBEHN Cc1nccn1C[C@@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000132455348 534779945 /nfs/dbraw/zinc/77/99/45/534779945.db2.gz NQRLEDBYHWLQRB-AWEZNQCLSA-N 0 3 331.376 1.426 10 5 EDBEHN COc1cc(OCc2nc([C@H]3CNCCN3C)no2)ccc1[N+](=O)[O-] ZINC000263208274 536876315 /nfs/dbraw/zinc/87/63/15/536876315.db2.gz JYPYRNRKMHGDCK-GFCCVEGCSA-N 0 3 349.347 1.142 10 5 EDBEHN CCn1cc(C2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cn1 ZINC000174765310 231302809 /nfs/dbraw/zinc/30/28/09/231302809.db2.gz XLYJSCSJGLDTIX-MRXNPFEDSA-N 0 3 348.407 1.248 10 5 EDBEHN CN(C)[C@@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000170860392 282196869 /nfs/dbraw/zinc/19/68/69/282196869.db2.gz FDZKFJPCHPBIHQ-OAHLLOKOSA-N 0 3 346.431 1.974 10 5 EDBEHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1C[NH3+] ZINC000237205997 139044377 /nfs/dbraw/zinc/04/43/77/139044377.db2.gz PSBQFLSXNURKCU-GXSJLCMTSA-N 0 3 329.378 1.009 10 5 EDBEHN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000113305935 441602152 /nfs/dbraw/zinc/60/21/52/441602152.db2.gz YKRQRNGYNXAAKK-SWLSCSKDSA-N 0 3 339.417 1.593 10 5 EDBEHN CCOc1ccc(C(=O)N2CCO[C@H](CN(C)C)C2)cc1[N+](=O)[O-] ZINC000116792479 441848422 /nfs/dbraw/zinc/84/84/22/441848422.db2.gz CUQSFXKEZNTMAF-CYBMUJFWSA-N 0 3 337.376 1.396 10 5 EDBEHN CC[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCN1C[C@H](C)O ZINC000247392460 536150873 /nfs/dbraw/zinc/15/08/73/536150873.db2.gz XGQRPRLJLGHTMW-GJZGRUSLSA-N 0 3 337.420 1.751 10 5 EDBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000247465998 139149571 /nfs/dbraw/zinc/14/95/71/139149571.db2.gz RGKYMESPRRWLQM-JSGCOSHPSA-N 0 3 347.371 1.481 10 5 EDBEHN CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000248426432 139163249 /nfs/dbraw/zinc/16/32/49/139163249.db2.gz LAXLKMCBYNIYAX-GXTWGEPZSA-N 0 3 341.433 1.743 10 5 EDBEHN CN1CCNC[C@@H]1c1noc(COc2ccc([N+](=O)[O-])c(F)c2)n1 ZINC000263297363 139333988 /nfs/dbraw/zinc/33/39/88/139333988.db2.gz WNCJKYKZGJNRPO-GFCCVEGCSA-N 0 3 337.311 1.272 10 5 EDBEHN CCC[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N(C)C ZINC000161215138 276020839 /nfs/dbraw/zinc/02/08/39/276020839.db2.gz DEZGFPODMQJOQR-INIZCTEOSA-N 0 3 334.420 1.974 10 5 EDBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000161324086 441986375 /nfs/dbraw/zinc/98/63/75/441986375.db2.gz HESAZOADEOGWPT-YGRLFVJLSA-N 0 3 336.348 1.962 10 5 EDBEHN CN(C)[C@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000170866294 442280493 /nfs/dbraw/zinc/28/04/93/442280493.db2.gz IKUHHVQQXTYCBY-HNNXBMFYSA-N 0 3 329.360 1.557 10 5 EDBEHN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCN2CCC[C@H]2C1 ZINC000171744900 227262351 /nfs/dbraw/zinc/26/23/51/227262351.db2.gz RGQCYRLMXSOCSE-AWEZNQCLSA-N 0 3 342.359 1.096 10 5 EDBEHN C[C@](C[NH3+])([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000133757570 280140152 /nfs/dbraw/zinc/14/01/52/280140152.db2.gz QPKWYBSOKXSCGD-GFCCVEGCSA-N 0 3 333.797 1.654 10 5 EDBEHN CN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000176232039 442197050 /nfs/dbraw/zinc/19/70/50/442197050.db2.gz DUJIBVJLDLDIOT-ZDUSSCGKSA-N 0 3 331.380 1.182 10 5 EDBEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000176898232 442269471 /nfs/dbraw/zinc/26/94/71/442269471.db2.gz NRUOSLFFQONUSC-ZDUSSCGKSA-N 0 3 348.403 1.784 10 5 EDBEHN [NH3+]C/C=C/C[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000166049958 534530232 /nfs/dbraw/zinc/53/02/32/534530232.db2.gz NIKWABQTQFGCFS-OWOJBTEDSA-N 0 3 340.188 1.695 10 5 EDBEHN CN(C)[C@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000170860395 282260940 /nfs/dbraw/zinc/26/09/40/282260940.db2.gz FDZKFJPCHPBIHQ-HNNXBMFYSA-N 0 3 346.431 1.974 10 5 EDBEHN CN1CCNC[C@@H]1c1noc(CCNc2ccccc2[N+](=O)[O-])n1 ZINC000263152001 139325314 /nfs/dbraw/zinc/32/53/14/139325314.db2.gz DDXNGISWCUTBMH-CYBMUJFWSA-N 0 3 332.364 1.209 10 5 EDBEHN C[C@@H](N[C@@H]1CCc2ncnn2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000105870568 441300419 /nfs/dbraw/zinc/30/04/19/441300419.db2.gz HFBKNKOYZPQEGQ-ZYHUDNBSSA-N 0 3 330.348 1.118 10 5 EDBEHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CN1CCCC1=O ZINC000111685012 441539840 /nfs/dbraw/zinc/53/98/40/441539840.db2.gz HVVJDLPRYFNIOW-MRXNPFEDSA-N 0 3 335.404 1.789 10 5 EDBEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000176889223 442267373 /nfs/dbraw/zinc/26/73/73/442267373.db2.gz RINLIUWBHDVOFB-CQSZACIVSA-N 0 3 334.376 1.476 10 5 EDBEHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000246917687 442821175 /nfs/dbraw/zinc/82/11/75/442821175.db2.gz ITMSGBXWJKHGSX-OLZOCXBDSA-N 0 3 339.417 1.842 10 5 EDBEHN CC[C@@H](NCCc1cn(CC(=O)OC)nn1)c1cccc([N+](=O)[O-])c1 ZINC000181564948 529170106 /nfs/dbraw/zinc/17/01/06/529170106.db2.gz JIJJKQLQIXDWAX-OAHLLOKOSA-N 0 3 347.375 1.643 10 5 EDBEHN COC(=O)c1cc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000246807563 139122404 /nfs/dbraw/zinc/12/24/04/139122404.db2.gz DFONJNAUCFEYRU-IAQYHMDHSA-N 0 3 349.387 1.840 10 5 EDBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000249212534 139189323 /nfs/dbraw/zinc/18/93/23/139189323.db2.gz SPWCMEFUBZZOBW-RISCZKNCSA-N 0 3 332.360 1.228 10 5 EDBEHN C[C@@H]1CN(c2ccc(I)cc2[N+](=O)[O-])CCN1 ZINC000097333907 274363724 /nfs/dbraw/zinc/36/37/24/274363724.db2.gz NQAYYRBGWVUJES-MRVPVSSYSA-N 0 3 347.156 1.998 10 5 EDBEHN CCN1CCC[C@H]1CN(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000177694198 276182484 /nfs/dbraw/zinc/18/24/84/276182484.db2.gz SRRXKWFESNRVGA-INIZCTEOSA-N 0 3 346.431 1.900 10 5 EDBEHN Cn1nccc1C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090524057 441632302 /nfs/dbraw/zinc/63/23/02/441632302.db2.gz RTBWQQYXINDWGP-UHFFFAOYSA-N 0 3 331.376 1.370 10 5 EDBEHN CCN(CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125650513 442039880 /nfs/dbraw/zinc/03/98/80/442039880.db2.gz WUNTWXYWHXZXKA-CYBMUJFWSA-N 0 3 341.433 1.919 10 5 EDBEHN CN(C)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000116977836 221018030 /nfs/dbraw/zinc/01/80/30/221018030.db2.gz LPLBJGRLFJEOMA-NSHDSACASA-N 0 3 327.768 1.651 10 5 EDBEHN COc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000160030664 533327827 /nfs/dbraw/zinc/32/78/27/533327827.db2.gz VVWMRSHQUGREDD-CYBMUJFWSA-N 0 3 337.376 1.180 10 5 EDBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)NCCn1cc(C)cn1 ZINC000105881287 441305660 /nfs/dbraw/zinc/30/56/60/441305660.db2.gz RBFJCDWMCRSTTE-GFCCVEGCSA-N 0 3 347.375 1.725 10 5 EDBEHN CN(C)[C@@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000134602657 442500250 /nfs/dbraw/zinc/50/02/50/442500250.db2.gz DAPROMQJSQPJMX-GFCCVEGCSA-N 0 3 329.360 1.557 10 5 EDBEHN CCC[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N(C)C ZINC000136240815 442656522 /nfs/dbraw/zinc/65/65/22/442656522.db2.gz NEIHMTJTPAMBCP-INIZCTEOSA-N 0 3 334.420 1.974 10 5 EDBEHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000247223988 442841849 /nfs/dbraw/zinc/84/18/49/442841849.db2.gz WJUIXQGYGPGHFV-OCCSQVGLSA-N 0 3 339.417 1.842 10 5 EDBEHN CCOC(=O)c1ccnc(N2C[C@@H]3CCCN3C[C@@H]2C)c1[N+](=O)[O-] ZINC000150841929 441960436 /nfs/dbraw/zinc/96/04/36/441960436.db2.gz IVVOZTLLTIEFOQ-RYUDHWBXSA-N 0 3 334.376 1.839 10 5 EDBEHN CCOC(=O)c1cc(C(=O)N2CC[C@@H](N(C)C)C2)cc([N+](=O)[O-])c1 ZINC000170860480 442277001 /nfs/dbraw/zinc/27/70/01/442277001.db2.gz QOPQVALGLASDEY-CYBMUJFWSA-N 0 3 335.360 1.548 10 5 EDBEHN CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000246953797 442824877 /nfs/dbraw/zinc/82/48/77/442824877.db2.gz ZWFYWZQEYKSQDY-IUODEOHRSA-N 0 3 341.433 1.743 10 5 EDBEHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CC[C@]2(CCC[NH2+]2)C1 ZINC000757067532 579963274 /nfs/dbraw/zinc/96/32/74/579963274.db2.gz YWNASVSGELZJRW-SMDDNHRTSA-N 0 3 325.390 1.548 10 5 EDBEHN CO[C@H]1CN[C@H](C(=O)Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000040633524 213362280 /nfs/dbraw/zinc/36/22/80/213362280.db2.gz NBPOBFPZJPVOAK-SCZZXKLOSA-N 0 3 344.165 1.673 10 5 EDBEHN N[C@H]1COC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159461641 225221720 /nfs/dbraw/zinc/22/17/20/225221720.db2.gz WKDJBMFWIZSNQV-CBAPKCEASA-N 0 3 330.138 1.270 10 5 EDBEHN C[C@H]([NH3+])CC[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000166043996 226144893 /nfs/dbraw/zinc/14/48/93/226144893.db2.gz RQYTYJAXSLDNNZ-LURJTMIESA-N 0 3 342.204 1.917 10 5 EDBEHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCO[C@H](CN(C)C)C1 ZINC000155326743 289383726 /nfs/dbraw/zinc/38/37/26/289383726.db2.gz SZZLSKFVIMBSOA-CHWSQXEVSA-N 0 3 336.392 1.184 10 5 EDBEHN C[NH+]1CCC2(CN(Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C(=O)[O-])CC1 ZINC000008698700 441097219 /nfs/dbraw/zinc/09/72/19/441097219.db2.gz QPNJWMCJTUCIKY-OAHLLOKOSA-N 0 3 333.388 1.823 10 5 EDBEHN CN(C(=O)c1ccc([N+](=O)[O-])o1)C1CCN(CCn2cccn2)CC1 ZINC000109292434 441493723 /nfs/dbraw/zinc/49/37/23/441493723.db2.gz JNGCBSOQUXRTBY-UHFFFAOYSA-N 0 3 347.375 1.621 10 5 EDBEHN CCOC(=O)c1cc(C(=O)N2CCN3CCC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000195312390 535675275 /nfs/dbraw/zinc/67/52/75/535675275.db2.gz CXQZYEUTJKVMED-CQSZACIVSA-N 0 3 347.371 1.692 10 5 EDBEHN CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)CCN1C[C@H](C)O ZINC000252352928 536153283 /nfs/dbraw/zinc/15/32/83/536153283.db2.gz OGZKDBOKOSZGTQ-ZFWWWQNUSA-N 0 3 337.420 1.880 10 5 EDBEHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCN4CCC[C@H]4C3)o2)cc1 ZINC000247043335 139132819 /nfs/dbraw/zinc/13/28/19/139132819.db2.gz DYBDISKSGXISBA-AWEZNQCLSA-N 0 3 329.360 1.925 10 5 EDBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000247466011 139149461 /nfs/dbraw/zinc/14/94/61/139149461.db2.gz RGKYMESPRRWLQM-OCCSQVGLSA-N 0 3 347.371 1.481 10 5 EDBEHN COc1cc(-c2nc([C@H]3CNCCN3C)no2)cc([N+](=O)[O-])c1OC ZINC000263113713 139323049 /nfs/dbraw/zinc/32/30/49/139323049.db2.gz AMETUUFYCZOATF-LLVKDONJSA-N 0 3 349.347 1.238 10 5 EDBEHN COCCN1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000117289360 221045175 /nfs/dbraw/zinc/04/51/75/221045175.db2.gz GUITWAXBGAUTDY-NSHDSACASA-N 0 3 347.375 1.264 10 5 EDBEHN N[C@@H]1COC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159461881 225222146 /nfs/dbraw/zinc/22/21/46/225222146.db2.gz WKDJBMFWIZSNQV-IONNQARKSA-N 0 3 330.138 1.270 10 5 EDBEHN O=[N+]([O-])c1cc(F)c(Br)cc1OC[C@@H]1CNCCO1 ZINC000164104757 226044165 /nfs/dbraw/zinc/04/41/65/226044165.db2.gz KLQIARXCTGYSEK-ZETCQYMHSA-N 0 3 335.129 1.864 10 5 EDBEHN CCN1CCC[C@@H]1CN(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000177713441 276169573 /nfs/dbraw/zinc/16/95/73/276169573.db2.gz FXLQRMFOEUUFRD-MRXNPFEDSA-N 0 3 346.431 1.900 10 5 EDBEHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000193291370 280654980 /nfs/dbraw/zinc/65/49/80/280654980.db2.gz UQTAFJZKEKEVAS-ZJUUUORDSA-N 0 3 347.824 1.962 10 5 EDBEHN CN(C)C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000116792499 441847563 /nfs/dbraw/zinc/84/75/63/441847563.db2.gz JOZGWOIKWATXLV-ZDUSSCGKSA-N 0 3 339.417 1.476 10 5 EDBEHN Cc1nc(C)n(C[C@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000174850726 441976150 /nfs/dbraw/zinc/97/61/50/441976150.db2.gz JKPMWUWWHHSGAW-AWEZNQCLSA-N 0 3 333.396 1.412 10 5 EDBEHN O=C(CCN1CCC[C@H](n2cncn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000171618057 442362945 /nfs/dbraw/zinc/36/29/45/442362945.db2.gz IWVKTUNEOVCYPN-HNNXBMFYSA-N 0 3 344.375 1.852 10 5 EDBEHN CSc1cccc(C(=O)N2CCO[C@@H](CN(C)C)C2)c1[N+](=O)[O-] ZINC000188165127 442718983 /nfs/dbraw/zinc/71/89/83/442718983.db2.gz HSSUTCDZYUPGNX-NSHDSACASA-N 0 3 339.417 1.719 10 5 EDBEHN CCOc1cc(C(=O)N2CC[C@H](N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000170857828 528217695 /nfs/dbraw/zinc/21/76/95/528217695.db2.gz FTSSOVJHHHJARY-NSHDSACASA-N 0 3 337.376 1.778 10 5 EDBEHN CC[C@H]1CN(Cn2ncc3ccc([N+](=O)[O-])cc32)CCN1CCOC ZINC000117324391 595629262 /nfs/dbraw/zinc/62/92/62/595629262.db2.gz LANNDIPDCKQXOL-HNNXBMFYSA-N 0 3 347.419 1.945 10 5 EDBEHN Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000124519477 597272981 /nfs/dbraw/zinc/27/29/81/597272981.db2.gz JBJRKBHDFCCOHQ-KOLCDFICSA-N 0 3 347.824 1.962 10 5 EDBEHN CN(C)C[C@@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCO1 ZINC000108951828 282128359 /nfs/dbraw/zinc/12/83/59/282128359.db2.gz FRVCHDWNZHCHHU-CQSZACIVSA-N 0 3 348.403 1.254 10 5 EDBEHN C[NH2+]CCS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Br ZINC000159478062 529979227 /nfs/dbraw/zinc/97/92/27/529979227.db2.gz AFSWVQSWMLZULR-UHFFFAOYSA-N 0 3 338.183 1.318 10 5 EDBEHN O=C(CN1CCN2CCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000178635591 232323461 /nfs/dbraw/zinc/32/34/61/232323461.db2.gz LMGRCMZIYKZZTL-GFCCVEGCSA-N 0 3 338.795 1.967 10 5 EDBEHN Cn1cc([C@@H]2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000181890383 234370215 /nfs/dbraw/zinc/37/02/15/234370215.db2.gz VHZUIDICLQWSOI-HIFRSBDPSA-N 0 3 346.387 1.558 10 5 EDBEHN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCN2CCCC[C@H]2C1 ZINC000195063076 139006005 /nfs/dbraw/zinc/00/60/05/139006005.db2.gz JYTNAJBVLPMPIP-LBPRGKRZSA-N 0 3 329.360 1.781 10 5 EDBEHN Cc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246413313 139107500 /nfs/dbraw/zinc/10/75/00/139107500.db2.gz MEQGDAWLFLQUSS-OCCSQVGLSA-N 0 3 348.403 1.687 10 5 EDBEHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCO[C@H](CN(C)C)C1 ZINC000155326631 286785355 /nfs/dbraw/zinc/78/53/55/286785355.db2.gz SZZLSKFVIMBSOA-QWHCGFSZSA-N 0 3 336.392 1.184 10 5 EDBEHN Cc1cc(Br)c(NC(=O)[C@@H]2COC[C@H]2N)cc1[N+](=O)[O-] ZINC000169226396 226234454 /nfs/dbraw/zinc/23/44/54/226234454.db2.gz AUZZNBQEWUNHPH-VXNVDRBHSA-N 0 3 344.165 1.578 10 5 EDBEHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(S(C)(=O)=O)cc1 ZINC000182186511 442743820 /nfs/dbraw/zinc/74/38/20/442743820.db2.gz PIIPCUWCPLETIN-NSHDSACASA-N 0 3 338.389 1.546 10 5 EDBEHN N[C@@H]1COC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159461752 225222483 /nfs/dbraw/zinc/22/24/83/225222483.db2.gz WKDJBMFWIZSNQV-VXNVDRBHSA-N 0 3 330.138 1.270 10 5 EDBEHN CN(C)[C@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000170866387 442280448 /nfs/dbraw/zinc/28/04/48/442280448.db2.gz GHAGOBPAXRCFGK-AWEZNQCLSA-N 0 3 329.360 1.557 10 5 EDBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000190107011 443057938 /nfs/dbraw/zinc/05/79/38/443057938.db2.gz SPWCMEFUBZZOBW-BXUZGUMPSA-N 0 3 332.360 1.228 10 5 EDBEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000190670914 443160804 /nfs/dbraw/zinc/16/08/04/443160804.db2.gz YAEHXWVLGKMRSQ-CYBMUJFWSA-N 0 3 344.375 1.307 10 5 EDBEHN O=[N+]([O-])c1c(Cl)ccc(S(=O)(=O)[N-][C@H]2CC[NH2+]C2)c1Cl ZINC000166042438 534878536 /nfs/dbraw/zinc/87/85/36/534878536.db2.gz YGHAHQHSWKJQBJ-LURJTMIESA-N 0 3 340.188 1.542 10 5 EDBEHN CO[C@@H]1CN[C@H](C(=O)Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000040633525 213362877 /nfs/dbraw/zinc/36/28/77/213362877.db2.gz NBPOBFPZJPVOAK-WPRPVWTQSA-N 0 3 344.165 1.673 10 5 EDBEHN Cn1cc([C@H]2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000181890405 234370129 /nfs/dbraw/zinc/37/01/29/234370129.db2.gz VHZUIDICLQWSOI-ZFWWWQNUSA-N 0 3 346.387 1.558 10 5 EDBEHN CC[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000105827634 219548719 /nfs/dbraw/zinc/54/87/19/219548719.db2.gz HDJFOYQMMHRLHZ-CABCVRRESA-N 0 3 337.420 1.751 10 5 EDBEHN CN(CCO)Cc1c(-c2ccc([N+](=O)[O-])cc2)nc2ccc(N)cn21 ZINC000036275968 213080255 /nfs/dbraw/zinc/08/02/55/213080255.db2.gz DGWRTLIEKOVLAZ-UHFFFAOYSA-N 0 3 341.371 1.916 10 5 EDBEHN [NH3+][C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000038050086 295333813 /nfs/dbraw/zinc/33/38/13/295333813.db2.gz YQDDXKRBFNOKJU-UWVGGRQHSA-N 0 3 333.797 1.796 10 5 EDBEHN CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000013541548 441159962 /nfs/dbraw/zinc/15/99/62/441159962.db2.gz ZCYNEEKHMUQDBT-CQDKDKBSSA-N 0 3 348.403 1.898 10 5 EDBEHN CN(C)C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCO1 ZINC000105925161 441317712 /nfs/dbraw/zinc/31/77/12/441317712.db2.gz IWTAYZSKTOZXCO-OAHLLOKOSA-N 0 3 337.376 1.224 10 5 EDBEHN COc1cc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000113222918 441589742 /nfs/dbraw/zinc/58/97/42/441589742.db2.gz PVEZYOJFPTYIMF-VXGBXAGGSA-N 0 3 349.387 1.921 10 5 EDBEHN O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCN2CCC[C@@H]2C1 ZINC000183039160 442869298 /nfs/dbraw/zinc/86/92/98/442869298.db2.gz LKWJQRYPTQJMTP-WBMJQRKESA-N 0 3 344.371 1.394 10 5 EDBEHN CCN1CCC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000194161745 442854882 /nfs/dbraw/zinc/85/48/82/442854882.db2.gz LHGGDPOMYNQLDL-CYBMUJFWSA-N 0 3 336.392 1.887 10 5 EDBEHN Cc1nn(C)c(N2CC[C@H](CN(C)Cc3cccnc3)C2)c1[N+](=O)[O-] ZINC000190447669 443111177 /nfs/dbraw/zinc/11/11/77/443111177.db2.gz OHJFRVWAZJEIFU-OAHLLOKOSA-N 0 3 344.419 1.990 10 5 EDBEHN [NH3+]C1CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000051693443 214100264 /nfs/dbraw/zinc/10/02/64/214100264.db2.gz ZWWFRBPDYJIMCM-UHFFFAOYSA-N 0 3 333.797 1.796 10 5 EDBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000249179491 139188515 /nfs/dbraw/zinc/18/85/15/139188515.db2.gz MWFJWHYKVYGWIC-TZMCWYRMSA-N 0 3 346.387 1.537 10 5 EDBEHN O=[N+]([O-])c1cccc(OCCN2CCCN(c3cccnn3)CC2)c1 ZINC000105799872 441273462 /nfs/dbraw/zinc/27/34/62/441273462.db2.gz KKCKIMYLUDUCJJ-UHFFFAOYSA-N 0 3 343.387 1.976 10 5 EDBEHN CN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000176232027 442196919 /nfs/dbraw/zinc/19/69/19/442196919.db2.gz DUJIBVJLDLDIOT-CYBMUJFWSA-N 0 3 331.380 1.182 10 5 EDBEHN Cc1c(Br)c(NC[C@@H]2CNCCO2)ncc1[N+](=O)[O-] ZINC000165841842 533707004 /nfs/dbraw/zinc/70/70/04/533707004.db2.gz BXHRGDKKHFOAET-QMMMGPOBSA-N 0 3 331.170 1.461 10 5 EDBEHN CCN1CCC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000070825496 535572484 /nfs/dbraw/zinc/57/24/84/535572484.db2.gz VTDIGCJJFVLKJR-LBPRGKRZSA-N 0 3 337.376 1.583 10 5 EDBEHN Cc1c(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000177681770 442369970 /nfs/dbraw/zinc/36/99/70/442369970.db2.gz WUSABNPTHFACJI-GFCCVEGCSA-N 0 3 332.360 1.148 10 5 EDBEHN CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000174003767 529088912 /nfs/dbraw/zinc/08/89/12/529088912.db2.gz REUXXYYRYBKIBL-DOMZBBRYSA-N 0 3 341.433 1.743 10 5 EDBEHN O=C(CN1CCN2CCC[C@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000246264204 139101659 /nfs/dbraw/zinc/10/16/59/139101659.db2.gz GRAJLWWEZIPHOM-LBPRGKRZSA-N 0 3 338.795 1.967 10 5 EDBEHN COc1cc(OCC(=O)N2C[C@@H]3CCCN3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000247457458 139149097 /nfs/dbraw/zinc/14/90/97/139149097.db2.gz QMILSVMEWLFTRY-OLZOCXBDSA-N 0 3 349.387 1.677 10 5 EDBEHN COc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000160030531 533333315 /nfs/dbraw/zinc/33/33/15/533333315.db2.gz VVWMRSHQUGREDD-ZDUSSCGKSA-N 0 3 337.376 1.180 10 5 EDBEHN C[C@H](N[C@@H]1CCc2ncnn2C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000105870964 441301907 /nfs/dbraw/zinc/30/19/07/441301907.db2.gz BVMKSYAETUURAN-CMPLNLGQSA-N 0 3 330.348 1.118 10 5 EDBEHN COc1cc(OCC(=O)N2C[C@H]3CCCN3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000113228612 441591138 /nfs/dbraw/zinc/59/11/38/441591138.db2.gz QMILSVMEWLFTRY-QWHCGFSZSA-N 0 3 349.387 1.677 10 5 EDBEHN O=C(CCN1CCC[C@@H](n2cncn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000171618064 442363284 /nfs/dbraw/zinc/36/32/84/442363284.db2.gz IWVKTUNEOVCYPN-OAHLLOKOSA-N 0 3 344.375 1.852 10 5 EDBEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000182739054 442816965 /nfs/dbraw/zinc/81/69/65/442816965.db2.gz HDJMBZAYWOZVLM-JTQLQIEISA-N 0 3 340.767 1.349 10 5 EDBEHN Cc1c(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000246353273 139105193 /nfs/dbraw/zinc/10/51/93/139105193.db2.gz HYGSIROIZBLYMR-BXUZGUMPSA-N 0 3 348.403 1.687 10 5 EDBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000247203416 139140204 /nfs/dbraw/zinc/14/02/04/139140204.db2.gz LRJIYTXQTMOIFR-RYUDHWBXSA-N 0 3 337.351 1.808 10 5 EDBEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000176889239 442267435 /nfs/dbraw/zinc/26/74/35/442267435.db2.gz RINLIUWBHDVOFB-AWEZNQCLSA-N 0 3 334.376 1.476 10 5 EDBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000184795326 443077676 /nfs/dbraw/zinc/07/76/76/443077676.db2.gz IHQYGXHFKKTGKL-NVXWUHKLSA-N 0 3 349.431 1.953 10 5 EDBEHN CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000248426435 535258362 /nfs/dbraw/zinc/25/83/62/535258362.db2.gz LAXLKMCBYNIYAX-TZMCWYRMSA-N 0 3 341.433 1.743 10 5 EDBEHN CN(C)C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000097681468 219047845 /nfs/dbraw/zinc/04/78/45/219047845.db2.gz YIWHATLGVGIAAL-HNNXBMFYSA-N 0 3 331.376 1.601 10 5 EDBEHN CCc1nccn1[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000174785635 529761275 /nfs/dbraw/zinc/76/12/75/529761275.db2.gz HTZNYQUJYXWORB-ZFWWWQNUSA-N 0 3 348.407 1.248 10 5 EDBEHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@](C)(C[NH3+])C2CC2)cc1C ZINC000237667198 280655583 /nfs/dbraw/zinc/65/55/83/280655583.db2.gz FKKKELVCSVJWJR-AWEZNQCLSA-N 0 3 327.406 1.617 10 5 EDBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000190107031 443057732 /nfs/dbraw/zinc/05/77/32/443057732.db2.gz SPWCMEFUBZZOBW-SMDDNHRTSA-N 0 3 332.360 1.228 10 5 EDBEHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000246256782 139101277 /nfs/dbraw/zinc/10/12/77/139101277.db2.gz KESAYPNSCBUEME-CZUORRHYSA-N 0 3 331.376 1.632 10 5 EDBEHN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000246552866 139112729 /nfs/dbraw/zinc/11/27/29/139112729.db2.gz UDWBTWBBXRSFJH-GDBMZVCRSA-N 0 3 335.404 1.626 10 5 EDBEHN CC[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCN1C[C@H](C)O ZINC000247392468 139147308 /nfs/dbraw/zinc/14/73/08/139147308.db2.gz XGQRPRLJLGHTMW-LSDHHAIUSA-N 0 3 337.420 1.751 10 5 EDBEHN COc1cc(-c2nc([C@H]3CNCCN3C)no2)c([N+](=O)[O-])cc1OC ZINC000263304771 139334604 /nfs/dbraw/zinc/33/46/04/139334604.db2.gz XPLGESYWAGFGOL-LLVKDONJSA-N 0 3 349.347 1.238 10 5 EDBEHN CN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCN(c2cccnn2)C1 ZINC000174848698 441975939 /nfs/dbraw/zinc/97/59/39/441975939.db2.gz OZUBOCNQYGATNQ-ZDUSSCGKSA-N 0 3 331.380 1.182 10 5 EDBEHN CCOC(=O)c1ccnc(N2C[C@@H]3CCCN3C[C@H]2C)c1[N+](=O)[O-] ZINC000246649634 442799178 /nfs/dbraw/zinc/79/91/78/442799178.db2.gz IVVOZTLLTIEFOQ-NEPJUHHUSA-N 0 3 334.376 1.839 10 5 EDBEHN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@H]1CN2CCC[C@@H]2CO1 ZINC000898462915 591363768 /nfs/dbraw/zinc/36/37/68/591363768.db2.gz VIMLBYCGAODZFW-IAQYHMDHSA-N 0 3 342.355 1.945 10 5 EDBEHN O=[N+]([O-])c1ccc(OCCCN2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173928684 231073441 /nfs/dbraw/zinc/07/34/41/231073441.db2.gz PCPNJIRARUXFBI-MRXNPFEDSA-N 0 3 335.404 1.770 10 5 EDBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181898388 234373075 /nfs/dbraw/zinc/37/30/75/234373075.db2.gz VMDIUXTWSBHJRD-ZYHUDNBSSA-N 0 3 333.344 1.632 10 5 EDBEHN CCOC(=O)c1cc(N2CCO[C@@H](CN(C)C)C2)ccc1[N+](=O)[O-] ZINC000125783060 205026131 /nfs/dbraw/zinc/02/61/31/205026131.db2.gz IFABMUCPYLVFSH-ZDUSSCGKSA-N 0 3 337.376 1.538 10 5 EDBEHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN1CCCC1=O ZINC000111685014 441540075 /nfs/dbraw/zinc/54/00/75/441540075.db2.gz HVVJDLPRYFNIOW-INIZCTEOSA-N 0 3 335.404 1.789 10 5 EDBEHN CC(C)N1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000022999800 202096735 /nfs/dbraw/zinc/09/67/35/202096735.db2.gz VQQDNZRYFJNRTF-UHFFFAOYSA-N 0 3 341.433 1.994 10 5 EDBEHN CN(CCO)Cc1c(-c2cccc([N+](=O)[O-])c2)nc2ccc(N)cn21 ZINC000036275970 202319943 /nfs/dbraw/zinc/31/99/43/202319943.db2.gz CLFSYQQWAWPAKZ-UHFFFAOYSA-N 0 3 341.371 1.916 10 5 EDBEHN C[NH2+]CCC[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000166041673 201421918 /nfs/dbraw/zinc/42/19/18/201421918.db2.gz RPRDDLJNHWBNJR-UHFFFAOYSA-N 0 3 342.204 1.789 10 5 EDBEHN O=C(NC[C@H](O)CN1CCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000160684897 206308118 /nfs/dbraw/zinc/30/81/18/206308118.db2.gz HQJZLPQBNWDFET-ZDUSSCGKSA-N 0 3 346.387 1.653 10 5 EDBEHN C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000177278129 207315083 /nfs/dbraw/zinc/31/50/83/207315083.db2.gz UDWBTWBBXRSFJH-HOCLYGCPSA-N 0 3 335.404 1.626 10 5 EDBEHN CN(C)C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000116793267 441848051 /nfs/dbraw/zinc/84/80/51/441848051.db2.gz WIFDNWMFFWAMJV-CYBMUJFWSA-N 0 3 337.376 1.153 10 5 EDBEHN O=C(NC[C@@H](O)CN1CCCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000160689194 441909059 /nfs/dbraw/zinc/90/90/59/441909059.db2.gz QYZQQYWUXZXYOR-GFCCVEGCSA-N 0 3 347.375 1.048 10 5 EDBEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000176994945 442282189 /nfs/dbraw/zinc/28/21/89/442282189.db2.gz LPXDHJFUSSTXJR-AWEZNQCLSA-N 0 3 349.387 1.938 10 5 EDBEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000190670889 443161484 /nfs/dbraw/zinc/16/14/84/443161484.db2.gz YAEHXWVLGKMRSQ-ZDUSSCGKSA-N 0 3 344.375 1.307 10 5 EDBEHN O=C1CC[C@H](CNCc2ccc(Br)c([N+](=O)[O-])c2)N1 ZINC000079929167 539481229 /nfs/dbraw/zinc/48/12/29/539481229.db2.gz VKGBHRFEIIBQKM-SECBINFHSA-N 0 3 328.166 1.726 10 5 EDBEHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H](Cn2cncn2)C1 ZINC000105884354 204176374 /nfs/dbraw/zinc/17/63/74/204176374.db2.gz VITGEUPSHXDWDO-CQSZACIVSA-N 0 3 331.376 1.977 10 5 EDBEHN CN(C)C[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000105925564 204180516 /nfs/dbraw/zinc/18/05/16/204180516.db2.gz OGEZUSCMNDEDTA-AWEZNQCLSA-N 0 3 347.375 1.407 10 5 EDBEHN COc1cc(OCC(=O)N2CCN3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000195338796 139014910 /nfs/dbraw/zinc/01/49/10/139014910.db2.gz SJWSIJWJEZPKEE-GFCCVEGCSA-N 0 3 335.360 1.289 10 5 EDBEHN Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1[N+](=O)[O-] ZINC000249199446 139189015 /nfs/dbraw/zinc/18/90/15/139189015.db2.gz QPASQACPEPSRJJ-OCCSQVGLSA-N 0 3 346.387 1.537 10 5 EDBEHN COc1cc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000247406606 286199368 /nfs/dbraw/zinc/19/93/68/286199368.db2.gz PVEZYOJFPTYIMF-RYUDHWBXSA-N 0 3 349.387 1.921 10 5 EDBEHN COc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000237327080 286352546 /nfs/dbraw/zinc/35/25/46/286352546.db2.gz YBFAQVKTBVXRIF-ONGXEEELSA-N 0 3 329.378 1.009 10 5 EDBEHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H](Cn3cncn3)C2)c1 ZINC000137057277 441743964 /nfs/dbraw/zinc/74/39/64/441743964.db2.gz KESAYPNSCBUEME-BBRMVZONSA-N 0 3 331.376 1.632 10 5 EDBEHN CC[C@@H](NC(=O)NCCN(C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000176098763 442175533 /nfs/dbraw/zinc/17/55/33/442175533.db2.gz VCTOBRBINOGGPP-OAHLLOKOSA-N 0 3 338.408 1.923 10 5 EDBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000176994933 442282375 /nfs/dbraw/zinc/28/23/75/442282375.db2.gz LPXDHJFUSSTXJR-CQSZACIVSA-N 0 3 349.387 1.938 10 5 EDBEHN CC(=O)N[C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000077169953 138251664 /nfs/dbraw/zinc/25/16/64/138251664.db2.gz VOOYJLKWJQTAOV-CYBMUJFWSA-N 0 3 334.376 1.524 10 5 EDBEHN CN(C)C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000128061309 205131216 /nfs/dbraw/zinc/13/12/16/205131216.db2.gz DGFCCYPYUPUBOQ-CYBMUJFWSA-N 0 3 345.346 1.959 10 5 EDBEHN CCC[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N(C)C ZINC000162192180 206390366 /nfs/dbraw/zinc/39/03/66/206390366.db2.gz FDLDJGMVZDYRFQ-JSGCOSHPSA-N 0 3 335.408 1.733 10 5 EDBEHN O=c1[nH]cnc2cc(NC[C@@H](O)CN3CCCCC3)c([N+](=O)[O-])cc12 ZINC000174683815 207045673 /nfs/dbraw/zinc/04/56/73/207045673.db2.gz JRGGWJOPEGXKNL-LLVKDONJSA-N 0 3 347.375 1.090 10 5 EDBEHN CSc1ccc(-c2nc([C@@H]3CNCCN3C)no2)cc1[N+](=O)[O-] ZINC000263132111 139324169 /nfs/dbraw/zinc/32/41/69/139324169.db2.gz BTXNJIQOGAFNHW-NSHDSACASA-N 0 3 335.389 1.943 10 5 EDBEHN C[C@H](N[C@H]1CCc2ncnn2C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000105870968 204173910 /nfs/dbraw/zinc/17/39/10/204173910.db2.gz BVMKSYAETUURAN-JQWIXIFHSA-N 0 3 330.348 1.118 10 5 EDBEHN CN(Cc1cccnc1)C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000195296608 139012981 /nfs/dbraw/zinc/01/29/81/139012981.db2.gz BOKXCWMRSYSEGW-MRXNPFEDSA-N 0 3 344.419 1.640 10 5 EDBEHN O=C(NC[C@@H](O)CN1CCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000160685035 206307969 /nfs/dbraw/zinc/30/79/69/206307969.db2.gz HQJZLPQBNWDFET-CYBMUJFWSA-N 0 3 346.387 1.653 10 5 EDBEHN CC(C)N1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000161324194 206342311 /nfs/dbraw/zinc/34/23/11/206342311.db2.gz HESAZOADEOGWPT-HZMBPMFUSA-N 0 3 336.348 1.962 10 5 EDBEHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C[NH3+])cc1C ZINC000237667154 278744402 /nfs/dbraw/zinc/74/44/02/278744402.db2.gz VDOFZOMEVPKDOX-NWDGAFQWSA-N 0 3 327.406 1.617 10 5 EDBEHN CN(C)C[C@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCO1 ZINC000108951830 441482640 /nfs/dbraw/zinc/48/26/40/441482640.db2.gz FRVCHDWNZHCHHU-AWEZNQCLSA-N 0 3 348.403 1.254 10 5 EDBEHN Cc1c(C(=O)N2CC[C@@H](N(C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000170864002 442278217 /nfs/dbraw/zinc/27/82/17/442278217.db2.gz NARYMFIHUNQCDX-LLVKDONJSA-N 0 3 336.348 1.896 10 5 EDBEHN O=[N+]([O-])c1cc(CNC[C@H]2COCCO2)ccc1Br ZINC000037998135 202079969 /nfs/dbraw/zinc/07/99/69/202079969.db2.gz LBTIYUMTWOJGLV-JTQLQIEISA-N 0 3 331.166 1.862 10 5 EDBEHN CN(C)C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCO1 ZINC000105925165 204180403 /nfs/dbraw/zinc/18/04/03/204180403.db2.gz IWTAYZSKTOZXCO-HNNXBMFYSA-N 0 3 337.376 1.224 10 5 EDBEHN CN(C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCO1 ZINC000155426370 206005650 /nfs/dbraw/zinc/00/56/50/206005650.db2.gz XFIDHKDXLXOWJH-LBPRGKRZSA-N 0 3 344.371 1.546 10 5 EDBEHN CN(Cc1nc([C@H]2CNCCN2C)no1)c1ccccc1[N+](=O)[O-] ZINC000263205627 139328308 /nfs/dbraw/zinc/32/83/08/139328308.db2.gz JQHZPDZQYSGTLX-CYBMUJFWSA-N 0 3 332.364 1.190 10 5 EDBEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000182739036 442816536 /nfs/dbraw/zinc/81/65/36/442816536.db2.gz HDJMBZAYWOZVLM-SNVBAGLBSA-N 0 3 340.767 1.349 10 5 EDBEHN CC(C)(C)OC[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246936109 442822718 /nfs/dbraw/zinc/82/27/18/442822718.db2.gz TYWZRFOBYZOEML-OCCSQVGLSA-N 0 3 338.408 1.652 10 5 EDBEHN CC[C@@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)CCN1C[C@H](C)O ZINC000247015430 442828093 /nfs/dbraw/zinc/82/80/93/442828093.db2.gz CKARIJXJJSKXAQ-DZGCQCFKSA-N 0 3 337.420 1.880 10 5 EDBEHN CCOC(=O)c1cc(C(=O)N2CCN3CCC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000195312398 535675247 /nfs/dbraw/zinc/67/52/47/535675247.db2.gz CXQZYEUTJKVMED-AWEZNQCLSA-N 0 3 347.371 1.692 10 5 EDBEHN CC[C@@H]1CN(Cn2ncc3cc([N+](=O)[O-])ccc32)CCN1CCOC ZINC000117324815 595629314 /nfs/dbraw/zinc/62/93/14/595629314.db2.gz MCWAGKHPCOOJGN-OAHLLOKOSA-N 0 3 347.419 1.945 10 5 EDBEHN [NH3+][C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000038050110 202094283 /nfs/dbraw/zinc/09/42/83/202094283.db2.gz YBDFKHHIQAPZQC-QWRGUYRKSA-N 0 3 333.797 1.796 10 5 EDBEHN CC(C)(C)OC(=O)N1CCC([C@@H]2NC(=O)CCC2[N+](=O)[O-])CC1 ZINC000238853594 277181526 /nfs/dbraw/zinc/18/15/26/277181526.db2.gz KIMYPMQKIANAFM-YPMHNXCESA-N 0 3 327.381 1.557 10 5 EDBEHN Cn1cc([C@@H]2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000116323300 441813685 /nfs/dbraw/zinc/81/36/85/441813685.db2.gz FFLSGFRVKJXOPJ-CJNGLKHVSA-N 0 3 346.387 1.558 10 5 EDBEHN COc1cc(C(=O)N2CCO[C@H](CN(C)C)C2)cc([N+](=O)[O-])c1C ZINC000191870896 442528920 /nfs/dbraw/zinc/52/89/20/442528920.db2.gz UDKNNKQSVNKWOO-CYBMUJFWSA-N 0 3 337.376 1.314 10 5 EDBEHN [NH3+]C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000089092002 295256189 /nfs/dbraw/zinc/25/61/89/295256189.db2.gz CFBUUWDXUJWQSB-WPRPVWTQSA-N 0 3 333.797 1.654 10 5 EDBEHN Cc1c(NC(=O)[C@@H](C)N[C@H]2CCc3ncnn3C2)cccc1[N+](=O)[O-] ZINC000105871634 441301653 /nfs/dbraw/zinc/30/16/53/441301653.db2.gz DMTUFDJWCRUKRV-NEPJUHHUSA-N 0 3 344.375 1.426 10 5 EDBEHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCN2CCC[C@H]2C1 ZINC000179342645 442626266 /nfs/dbraw/zinc/62/62/66/442626266.db2.gz DIQQWPDTQLKJMK-AWEZNQCLSA-N 0 3 328.372 1.925 10 5 EDBEHN CC(C)[NH+]1CCC(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000022999790 212341691 /nfs/dbraw/zinc/34/16/91/212341691.db2.gz LQRNOJYYMSJGJL-UHFFFAOYSA-N 0 3 341.433 1.994 10 5 EDBEHN C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1N1CCOCC1 ZINC000246212457 139099500 /nfs/dbraw/zinc/09/95/00/139099500.db2.gz CKPLTFNLTYBSAL-XYPHTWIQSA-N 0 3 335.404 1.281 10 5 EDBEHN Cc1c(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000177681787 442370078 /nfs/dbraw/zinc/37/00/78/442370078.db2.gz WUSABNPTHFACJI-LBPRGKRZSA-N 0 3 332.360 1.148 10 5 EDBEHN CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000246953810 442824616 /nfs/dbraw/zinc/82/46/16/442824616.db2.gz ZWFYWZQEYKSQDY-SWLSCSKDSA-N 0 3 341.433 1.743 10 5 EDBEHN Cc1nn(CN2CCO[C@@H](CN(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121216829 596333766 /nfs/dbraw/zinc/33/37/66/596333766.db2.gz ADEWLGKKLVKVRJ-AWEZNQCLSA-N 0 3 333.392 1.473 10 5 EDBEHN CN[C@@H]1COC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159452255 532973927 /nfs/dbraw/zinc/97/39/27/532973927.db2.gz LZPSOTWUTACYRB-GZMMTYOYSA-N 0 3 344.165 1.530 10 5 EDBEHN C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1N1CCOCC1 ZINC000154423429 224251202 /nfs/dbraw/zinc/25/12/02/224251202.db2.gz CKPLTFNLTYBSAL-COXVUDFISA-N 0 3 335.404 1.281 10 5 EDBEHN O=[N+]([O-])c1ccc(COC[C@H]2CNCCO2)c(Br)c1 ZINC000163953681 226033225 /nfs/dbraw/zinc/03/32/25/226033225.db2.gz UIBOHBVTOYSFIH-LLVKDONJSA-N 0 3 331.166 1.862 10 5 EDBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@@H](CN(C)C)C1 ZINC000173338103 280662264 /nfs/dbraw/zinc/66/22/64/280662264.db2.gz LZXWILOQDZPGFS-AWEZNQCLSA-N 0 3 336.392 1.104 10 5 EDBEHN Cc1cnn(CCN[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000109132867 441488839 /nfs/dbraw/zinc/48/88/39/441488839.db2.gz QCFBZEAVPSZOOB-OAHLLOKOSA-N 0 3 329.360 1.495 10 5 EDBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000113233179 441591246 /nfs/dbraw/zinc/59/12/46/441591246.db2.gz ZADDZKWCPPHCFH-ZYHUDNBSSA-N 0 3 329.360 1.780 10 5 EDBEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000170844970 442274143 /nfs/dbraw/zinc/27/41/43/442274143.db2.gz XMWSIAPNHASSBA-JTQLQIEISA-N 0 3 340.767 1.349 10 5 EDBEHN CN(C)C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1 ZINC000135174049 442564872 /nfs/dbraw/zinc/56/48/72/442564872.db2.gz KAOLWUMZUVRVKG-CYBMUJFWSA-N 0 3 327.768 1.651 10 5 EDBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000252443618 443023417 /nfs/dbraw/zinc/02/34/17/443023417.db2.gz DBLNRFAEAFREBN-OCCSQVGLSA-N 0 3 332.404 1.970 10 5 EDBEHN CN(C)C(=O)CCNCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000037751967 213165965 /nfs/dbraw/zinc/16/59/65/213165965.db2.gz JZINYSHZZLYCMF-UHFFFAOYSA-N 0 3 330.182 1.925 10 5 EDBEHN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153836102 224165091 /nfs/dbraw/zinc/16/50/91/224165091.db2.gz NCNZZEMYOAEHOL-IUODEOHRSA-N 0 3 339.417 1.593 10 5 EDBEHN Cc1c(Br)c(OC[C@H]2CNCCO2)ncc1[N+](=O)[O-] ZINC000164066112 226041566 /nfs/dbraw/zinc/04/15/66/226041566.db2.gz ZPNDYEHRLQVUPP-MRVPVSSYSA-N 0 3 332.154 1.428 10 5 EDBEHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000173726518 288313393 /nfs/dbraw/zinc/31/33/93/288313393.db2.gz ITMSGBXWJKHGSX-QWHCGFSZSA-N 0 3 339.417 1.842 10 5 EDBEHN C[C@@H](N[C@H]1CCc2ncnn2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000105870575 441300051 /nfs/dbraw/zinc/30/00/51/441300051.db2.gz HFBKNKOYZPQEGQ-PWSUYJOCSA-N 0 3 330.348 1.118 10 5 EDBEHN CCN1CCC[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000137953409 441782253 /nfs/dbraw/zinc/78/22/53/441782253.db2.gz HRKKYBJVPANSEE-CYBMUJFWSA-N 0 3 343.387 1.995 10 5 EDBEHN CN(C)[C@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000170866133 442279562 /nfs/dbraw/zinc/27/95/62/442279562.db2.gz WRIDTRLXPOMPDX-ZDUSSCGKSA-N 0 3 329.360 1.557 10 5 EDBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177683316 442369868 /nfs/dbraw/zinc/36/98/68/442369868.db2.gz VMLHRHABYIKQTO-ZDUSSCGKSA-N 0 3 332.360 1.148 10 5 EDBEHN CC(C)N1C[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000174003777 529105509 /nfs/dbraw/zinc/10/55/09/529105509.db2.gz REUXXYYRYBKIBL-WFASDCNBSA-N 0 3 341.433 1.743 10 5 EDBEHN Cc1c(C(=O)N2CCN3CCC[C@@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000195316143 139013753 /nfs/dbraw/zinc/01/37/53/139013753.db2.gz KGYHYBNZAXIZOM-LLVKDONJSA-N 0 3 334.332 1.732 10 5 EDBEHN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1N1CCOCC1 ZINC000246461617 139109547 /nfs/dbraw/zinc/10/95/47/139109547.db2.gz NMLHBVKRIIHYNJ-RHSMWYFYSA-N 0 3 335.404 1.626 10 5 EDBEHN CCOc1ccc(-c2nc([C@@H]3CNCCN3C)no2)cc1[N+](=O)[O-] ZINC000263224767 139329301 /nfs/dbraw/zinc/32/93/01/139329301.db2.gz MQCRWLZYSHWDQJ-LBPRGKRZSA-N 0 3 333.348 1.620 10 5 EDBEHN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCN2CCC[C@@H]2C1 ZINC000171867229 227325171 /nfs/dbraw/zinc/32/51/71/227325171.db2.gz DULVSSXQCBZXIS-GFCCVEGCSA-N 0 3 342.355 1.357 10 5 EDBEHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@H]2C[NH3+])cc1C ZINC000237667300 280655578 /nfs/dbraw/zinc/65/55/78/280655578.db2.gz VDOFZOMEVPKDOX-RYUDHWBXSA-N 0 3 327.406 1.617 10 5 EDBEHN CN(C)C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCO1 ZINC000116790572 441847275 /nfs/dbraw/zinc/84/72/75/441847275.db2.gz YMHRVWLYCXLPQQ-CQSZACIVSA-N 0 3 348.403 1.572 10 5 EDBEHN CN(C)C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000116793269 441848649 /nfs/dbraw/zinc/84/86/49/441848649.db2.gz WIFDNWMFFWAMJV-ZDUSSCGKSA-N 0 3 337.376 1.153 10 5 EDBEHN CCN1CCC[C@@H]1CN(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000177025007 442287231 /nfs/dbraw/zinc/28/72/31/442287231.db2.gz WOWCNUKKDMLOJZ-CQSZACIVSA-N 0 3 334.420 1.974 10 5 EDBEHN Cc1nccn1C[C@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000132455528 223332169 /nfs/dbraw/zinc/33/21/69/223332169.db2.gz NQRLEDBYHWLQRB-CQSZACIVSA-N 0 3 331.376 1.426 10 5 EDBEHN CCC[C@H](N)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000195140139 139007716 /nfs/dbraw/zinc/00/77/16/139007716.db2.gz GXRVMXFZKAFMBP-NSHDSACASA-N 0 3 325.365 1.398 10 5 EDBEHN CCOC(=O)c1ccnc(N2C[C@H]3CCCN3C[C@H]2C)c1[N+](=O)[O-] ZINC000246649645 139116495 /nfs/dbraw/zinc/11/64/95/139116495.db2.gz IVVOZTLLTIEFOQ-VXGBXAGGSA-N 0 3 334.376 1.839 10 5 EDBEHN O=[N+]([O-])c1cccc(-c2noc(CN3CCN4CCC[C@H]4C3)n2)c1 ZINC000247079253 139134827 /nfs/dbraw/zinc/13/48/27/139134827.db2.gz GWWYZPWIRKHXLJ-AWEZNQCLSA-N 0 3 329.360 1.925 10 5 EDBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000113226577 441589817 /nfs/dbraw/zinc/58/98/17/441589817.db2.gz DBLNRFAEAFREBN-GXTWGEPZSA-N 0 3 332.404 1.970 10 5 EDBEHN CC[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1CCOC ZINC000137042600 441741908 /nfs/dbraw/zinc/74/19/08/441741908.db2.gz KGNCJGUYEPGLAG-WBVHZDCISA-N 0 3 337.420 1.671 10 5 EDBEHN Cc1c(NC(=O)NC[C@@H](O)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000043346183 441836588 /nfs/dbraw/zinc/83/65/88/441836588.db2.gz MWPBZJYEASHVRJ-CYBMUJFWSA-N 0 3 336.392 1.872 10 5 EDBEHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000184795312 443077822 /nfs/dbraw/zinc/07/78/22/443077822.db2.gz IHQYGXHFKKTGKL-DOTOQJQBSA-N 0 3 349.431 1.953 10 5 EDBEHN [NH3+]CCC[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000166020750 534616315 /nfs/dbraw/zinc/61/63/15/534616315.db2.gz PAWCGZYGDPZNEG-UHFFFAOYSA-N 0 3 328.177 1.529 10 5 EDBEHN CN(C)C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000116796290 282139250 /nfs/dbraw/zinc/13/92/50/282139250.db2.gz BCAPMWPTVZXWBG-NSHDSACASA-N 0 3 327.768 1.651 10 5 EDBEHN CC(C)(C)NN=c1nc[nH]c(NCCN2CCCCC2)c1[N+](=O)[O-] ZINC000040622783 213359484 /nfs/dbraw/zinc/35/94/84/213359484.db2.gz KDMVEFOBTRDNAB-UHFFFAOYSA-N 0 3 337.428 1.998 10 5 EDBEHN COc1cc(C(=O)N2CCN3CCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000195309601 139013517 /nfs/dbraw/zinc/01/35/17/139013517.db2.gz QQKIRCMLUFQCAS-NSHDSACASA-N 0 3 335.360 1.532 10 5 EDBEHN Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1[N+](=O)[O-] ZINC000249199449 139189083 /nfs/dbraw/zinc/18/90/83/139189083.db2.gz QPASQACPEPSRJJ-TZMCWYRMSA-N 0 3 346.387 1.537 10 5 EDBEHN CN1CCNC[C@H]1c1noc(-c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000263248397 139330856 /nfs/dbraw/zinc/33/08/56/139330856.db2.gz PNOQFRBRGYWQGV-NSHDSACASA-N 0 3 329.320 1.097 10 5 EDBEHN COc1cccc(C(=O)NC[C@H](O)CN2CCCCC2)c1[N+](=O)[O-] ZINC000192793524 272986585 /nfs/dbraw/zinc/98/65/85/272986585.db2.gz GREJCWVIHWEDJA-LBPRGKRZSA-N 0 3 337.376 1.180 10 5 EDBEHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000193291248 301556179 /nfs/dbraw/zinc/55/61/79/301556179.db2.gz ORMVZFQTAVGMLQ-VXGBXAGGSA-N 0 3 327.406 1.617 10 5 EDBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]1C(=O)N(C)C ZINC000063483739 441332193 /nfs/dbraw/zinc/33/21/93/441332193.db2.gz LVKLDBFYHFVGJF-OAHLLOKOSA-N 0 3 348.403 1.784 10 5 EDBEHN CCN1CCC[C@@H]1CN(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000177694185 442371776 /nfs/dbraw/zinc/37/17/76/442371776.db2.gz SRRXKWFESNRVGA-MRXNPFEDSA-N 0 3 346.431 1.900 10 5 EDBEHN C[C@@H](CC[NH+](C)C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000049559300 214018699 /nfs/dbraw/zinc/01/86/99/214018699.db2.gz SEFOMNGWFWDOPC-VIFPVBQESA-N 0 3 335.813 1.867 10 5 EDBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000247547586 139151905 /nfs/dbraw/zinc/15/19/05/139151905.db2.gz ZADDZKWCPPHCFH-PWSUYJOCSA-N 0 3 329.360 1.780 10 5 EDBEHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171903479 533220269 /nfs/dbraw/zinc/22/02/69/533220269.db2.gz BNYZMPFUJRZAPR-CQSZACIVSA-N 0 3 334.376 1.593 10 5 EDBEHN CCN(C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125654901 442039329 /nfs/dbraw/zinc/03/93/29/442039329.db2.gz DAPUAOFBISCSQX-GFCCVEGCSA-N 0 3 341.433 1.776 10 5 EDBEHN CN(C)C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000131909242 442383116 /nfs/dbraw/zinc/38/31/16/442383116.db2.gz CFZJSKMRKQICPF-HNNXBMFYSA-N 0 3 346.391 1.393 10 5 EDBEHN [NH3+]C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000089091721 283482023 /nfs/dbraw/zinc/48/20/23/283482023.db2.gz CMTFKWXGQHRIES-GZMMTYOYSA-N 0 3 333.797 1.654 10 5 EDBEHN Cn1cc(CNC[C@@H]2CN(C)CCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105471044 441256345 /nfs/dbraw/zinc/25/63/45/441256345.db2.gz WSGOHWRJIYIDEF-MRXNPFEDSA-N 0 3 345.403 1.416 10 5 EDBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@H](CN(C)C)C1 ZINC000173338087 441717445 /nfs/dbraw/zinc/71/74/45/441717445.db2.gz LZXWILOQDZPGFS-CQSZACIVSA-N 0 3 336.392 1.104 10 5 EDBEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000176885779 442266969 /nfs/dbraw/zinc/26/69/69/442266969.db2.gz KGANKZNQAKHUKD-AWEZNQCLSA-N 0 3 348.403 1.784 10 5 EDBEHN Cc1ccc(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000177686364 442370466 /nfs/dbraw/zinc/37/04/66/442370466.db2.gz VRATVFICQJAXCJ-CYBMUJFWSA-N 0 3 332.360 1.148 10 5 EDBEHN COc1cc(-c2nc([C@@H]3CNCCN3C)no2)c([N+](=O)[O-])cc1OC ZINC000263304772 536868680 /nfs/dbraw/zinc/86/86/80/536868680.db2.gz XPLGESYWAGFGOL-NSHDSACASA-N 0 3 349.347 1.238 10 5 EDBEHN CN(Cc1cccnc1)C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000195296596 139012903 /nfs/dbraw/zinc/01/29/03/139012903.db2.gz BOKXCWMRSYSEGW-INIZCTEOSA-N 0 3 344.419 1.640 10 5 EDBEHN CN[C@@H]1COC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159452517 532973020 /nfs/dbraw/zinc/97/30/20/532973020.db2.gz LZPSOTWUTACYRB-LDYMZIIASA-N 0 3 344.165 1.530 10 5 EDBEHN CN(C)[C@@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000170866293 442279977 /nfs/dbraw/zinc/27/99/77/442279977.db2.gz IKUHHVQQXTYCBY-OAHLLOKOSA-N 0 3 329.360 1.557 10 5 EDBEHN Cc1ccc(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000177686379 442370757 /nfs/dbraw/zinc/37/07/57/442370757.db2.gz VRATVFICQJAXCJ-ZDUSSCGKSA-N 0 3 332.360 1.148 10 5 EDBEHN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCN2CCC[C@@H]2C1 ZINC000171585290 491004791 /nfs/dbraw/zinc/00/47/91/491004791.db2.gz IUKFCTHMUDKOLX-CYBMUJFWSA-N 0 3 342.359 1.096 10 5 EDBEHN CC(C)N(C)CCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000054132169 214218126 /nfs/dbraw/zinc/21/81/26/214218126.db2.gz SMARLQBNWJRPTN-UHFFFAOYSA-N 0 3 335.813 1.867 10 5 EDBEHN CN(C)C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCO1 ZINC000105796433 441271458 /nfs/dbraw/zinc/27/14/58/441271458.db2.gz PPHDHVMLJIRWFC-LBPRGKRZSA-N 0 3 334.376 1.246 10 5 EDBEHN CN(C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000116796207 441849707 /nfs/dbraw/zinc/84/97/07/441849707.db2.gz PEFLTUJUAZFVBM-LLVKDONJSA-N 0 3 327.768 1.651 10 5 EDBEHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](N(C)C)C2)cc1OC ZINC000170857838 442276492 /nfs/dbraw/zinc/27/64/92/442276492.db2.gz SPDQIUCIOXLZMV-NSHDSACASA-N 0 3 337.376 1.778 10 5 EDBEHN CN(C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCO1 ZINC000155426259 442397706 /nfs/dbraw/zinc/39/77/06/442397706.db2.gz XFIDHKDXLXOWJH-GFCCVEGCSA-N 0 3 344.371 1.546 10 5 EDBEHN CC(C)N1C[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000184599757 443047516 /nfs/dbraw/zinc/04/75/16/443047516.db2.gz LAXLKMCBYNIYAX-JSGCOSHPSA-N 0 3 341.433 1.743 10 5 EDBEHN CC(C)(C[NH3+])[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000166043858 527079329 /nfs/dbraw/zinc/07/93/29/527079329.db2.gz UHYRMKFZFFQYGB-UHFFFAOYSA-N 0 3 342.204 1.917 10 5 EDBEHN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCN2CCC[C@H]2C1 ZINC000195332205 139014737 /nfs/dbraw/zinc/01/47/37/139014737.db2.gz PUSBWLXTJLELEW-INIZCTEOSA-N 0 3 341.371 1.701 10 5 EDBEHN Cc1c(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000249251597 139189835 /nfs/dbraw/zinc/18/98/35/139189835.db2.gz XZDBYLIKSYXVSV-YPMHNXCESA-N 0 3 346.387 1.537 10 5 EDBEHN CN(C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000170858975 226769729 /nfs/dbraw/zinc/76/97/29/226769729.db2.gz ODIJVHWSTFFMIY-AWEZNQCLSA-N 0 3 332.404 1.971 10 5 EDBEHN C[C@H](N[C@H]1CCc2ncnn2C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000105870592 441301789 /nfs/dbraw/zinc/30/17/89/441301789.db2.gz SLKCEJJRPHFMCO-QWRGUYRKSA-N 0 3 330.348 1.118 10 5 EDBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000113231668 441591056 /nfs/dbraw/zinc/59/10/56/441591056.db2.gz TVUMCUZFJWZFNL-CMPLNLGQSA-N 0 3 334.332 1.812 10 5 EDBEHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000090538681 441633537 /nfs/dbraw/zinc/63/35/37/441633537.db2.gz LBDOULOLSRTISD-LLVKDONJSA-N 0 3 338.389 1.546 10 5 EDBEHN CCc1n[nH]c(C(=O)N2CCC[C@@H]2Cn2ccnc2C)c1[N+](=O)[O-] ZINC000192683807 442676290 /nfs/dbraw/zinc/67/62/90/442676290.db2.gz UFCDMCZYGSPIPZ-LLVKDONJSA-N 0 3 332.364 1.690 10 5 EDBEHN CCc1n[n-]c(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000192683807 442676293 /nfs/dbraw/zinc/67/62/93/442676293.db2.gz UFCDMCZYGSPIPZ-LLVKDONJSA-N 0 3 332.364 1.690 10 5 EDBEHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CN(C)C)c2ccccc2)n1 ZINC000191476190 443300233 /nfs/dbraw/zinc/30/02/33/443300233.db2.gz YWAJTKZYIUBUEI-ZDUSSCGKSA-N 0 3 331.376 1.844 10 5 EDBEHN CC[C@@H](O)CN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174091443 529228870 /nfs/dbraw/zinc/22/88/70/529228870.db2.gz RJBBBFYPSOBLGN-MRXNPFEDSA-N 0 3 337.420 1.752 10 5 EDBEHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1C[NH3+] ZINC000237206116 536956907 /nfs/dbraw/zinc/95/69/07/536956907.db2.gz PSBQFLSXNURKCU-KOLCDFICSA-N 0 3 329.378 1.009 10 5 EDBEHN O=[N+]([O-])c1ccc2nc(S(=O)(=O)C[C@@H]3CCCCN3)cnc2c1 ZINC000095092265 218280084 /nfs/dbraw/zinc/28/00/84/218280084.db2.gz LZDBYMAFEFABMV-JTQLQIEISA-N 0 3 336.373 1.454 10 5 EDBEHN C[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000166045268 226146521 /nfs/dbraw/zinc/14/65/21/226146521.db2.gz GWAXJTVUCWDDFP-YFKPBYRVSA-N 0 3 328.177 1.527 10 5 EDBEHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000193291392 280654985 /nfs/dbraw/zinc/65/49/85/280654985.db2.gz UQTAFJZKEKEVAS-UWVGGRQHSA-N 0 3 347.824 1.962 10 5 EDBEHN CN(C)C[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000131909440 289188989 /nfs/dbraw/zinc/18/89/89/289188989.db2.gz CFZJSKMRKQICPF-OAHLLOKOSA-N 0 3 346.391 1.393 10 5 EDBEHN CC[C@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)CCN1C[C@@H](C)O ZINC000105827308 441283112 /nfs/dbraw/zinc/28/31/12/441283112.db2.gz CKARIJXJJSKXAQ-HIFRSBDPSA-N 0 3 337.420 1.880 10 5 EDBEHN CN(C)C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000116792495 441848349 /nfs/dbraw/zinc/84/83/49/441848349.db2.gz JOZGWOIKWATXLV-CYBMUJFWSA-N 0 3 339.417 1.476 10 5 EDBEHN CCC[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N(C)C ZINC000162192270 442073626 /nfs/dbraw/zinc/07/36/26/442073626.db2.gz FDLDJGMVZDYRFQ-GXTWGEPZSA-N 0 3 335.408 1.733 10 5 EDBEHN O=C(NC1CC1)c1ccc(N2CCN3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246219451 443280570 /nfs/dbraw/zinc/28/05/70/443280570.db2.gz YLMVGBOMSXFYOT-AWEZNQCLSA-N 0 3 330.388 1.771 10 5 EDBEHN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCCCC23CNC3)cc1 ZINC000757067109 579963241 /nfs/dbraw/zinc/96/32/41/579963241.db2.gz CIGXOEZFGFEVLJ-UHFFFAOYSA-N 0 3 325.390 1.502 10 5 EDBEHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCCO2 ZINC000174704429 231284744 /nfs/dbraw/zinc/28/47/44/231284744.db2.gz CKSBMBHUQIVTEE-RISCZKNCSA-N 0 3 348.359 1.274 10 5 EDBEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000183015198 267662451 /nfs/dbraw/zinc/66/24/51/267662451.db2.gz NFQQLRGLPJVMBP-ABAIWWIYSA-N 0 3 332.360 1.250 10 5 EDBEHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160063138 295253538 /nfs/dbraw/zinc/25/35/38/295253538.db2.gz ASWNZKJQVAIVHM-LBPRGKRZSA-N 0 3 337.376 1.180 10 5 EDBEHN CSc1cccc(C(=O)N2CCO[C@H](CN(C)C)C2)c1[N+](=O)[O-] ZINC000188165103 442718937 /nfs/dbraw/zinc/71/89/37/442718937.db2.gz HSSUTCDZYUPGNX-LLVKDONJSA-N 0 3 339.417 1.719 10 5 EDBEHN CC[C@H](NCCc1cn(CC(=O)OC)nn1)c1cccc([N+](=O)[O-])c1 ZINC000181564928 529608116 /nfs/dbraw/zinc/60/81/16/529608116.db2.gz JIJJKQLQIXDWAX-HNNXBMFYSA-N 0 3 347.375 1.643 10 5 EDBEHN O=C(CN1CCN2CCC[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000178621501 232310209 /nfs/dbraw/zinc/31/02/09/232310209.db2.gz GCWKSFYJCAKTKM-OAHLLOKOSA-N 0 3 330.388 1.264 10 5 EDBEHN O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1C[C@@H](O)CN1 ZINC000037040289 213131674 /nfs/dbraw/zinc/13/16/74/213131674.db2.gz JFJKKSPQXLNXIE-GMSGAONNSA-N 0 3 330.138 1.019 10 5 EDBEHN O=[N+]([O-])c1ccc2oc(S(=O)(=O)C[C@H]3CCCCN3)nc2c1 ZINC000095092154 218279981 /nfs/dbraw/zinc/27/99/81/218279981.db2.gz RUEHHDMJYCLAIV-SECBINFHSA-N 0 3 325.346 1.652 10 5 EDBEHN C[C@H]1[NH2+]CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000189320665 280049043 /nfs/dbraw/zinc/04/90/43/280049043.db2.gz QVYWVOFUSDDNNY-PSASIEDQSA-N 0 3 333.797 1.667 10 5 EDBEHN COc1cc(C(=O)NC[C@H](O)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000160613141 441902589 /nfs/dbraw/zinc/90/25/89/441902589.db2.gz DHGSGUGOTBPXNE-ZDUSSCGKSA-N 0 3 337.376 1.180 10 5 EDBEHN Cc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000150805465 441955173 /nfs/dbraw/zinc/95/51/73/441955173.db2.gz MEQGDAWLFLQUSS-GXTWGEPZSA-N 0 3 348.403 1.687 10 5 EDBEHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000184522775 443034217 /nfs/dbraw/zinc/03/42/17/443034217.db2.gz RUUWXOXWHNCALV-CYBMUJFWSA-N 0 3 346.387 1.457 10 5 EDBEHN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246704475 139118150 /nfs/dbraw/zinc/11/81/50/139118150.db2.gz NCNZZEMYOAEHOL-WFASDCNBSA-N 0 3 339.417 1.593 10 5 EDBEHN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000177278113 442323691 /nfs/dbraw/zinc/32/36/91/442323691.db2.gz UDWBTWBBXRSFJH-ZBFHGGJFSA-N 0 3 335.404 1.626 10 5 EDBEHN Cc1cnn([C@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000131874904 223280231 /nfs/dbraw/zinc/28/02/31/223280231.db2.gz DWKIKQBFPNXWSO-AWEZNQCLSA-N 0 3 331.376 1.599 10 5 EDBEHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@](C)(C[NH3+])C2CC2)cc1C ZINC000237667327 291992554 /nfs/dbraw/zinc/99/25/54/291992554.db2.gz FKKKELVCSVJWJR-CQSZACIVSA-N 0 3 327.406 1.617 10 5 EDBEHN C[C@H](N)CS(=O)(=O)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162528531 225823163 /nfs/dbraw/zinc/82/31/63/225823163.db2.gz AVZKCLIEOVUJBQ-ZETCQYMHSA-N 0 3 337.195 1.619 10 5 EDBEHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000127968794 287448619 /nfs/dbraw/zinc/44/86/19/287448619.db2.gz QMNXXZNKISEXKE-OAHLLOKOSA-N 0 3 345.403 1.909 10 5 EDBEHN CCN1CCC[C@@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000105807578 441276219 /nfs/dbraw/zinc/27/62/19/441276219.db2.gz SXMWBJDWNITSAO-CYBMUJFWSA-N 0 3 344.375 1.390 10 5 EDBEHN Cc1nn(C)c(C)c1[C@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000131870931 442382052 /nfs/dbraw/zinc/38/20/52/442382052.db2.gz ZETQFKGRYUIMJV-OAHLLOKOSA-N 0 3 345.403 1.944 10 5 EDBEHN COc1cc(CN2CCO[C@@H](CN(C)C)C2)c([N+](=O)[O-])cc1F ZINC000184208373 533812337 /nfs/dbraw/zinc/81/23/37/533812337.db2.gz RJGHQUMMOFKFHL-LBPRGKRZSA-N 0 3 327.356 1.505 10 5 EDBEHN Cc1cccc(NC[C@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000174839233 231322660 /nfs/dbraw/zinc/32/26/60/231322660.db2.gz SSWGDRSUQXRNKY-CQSZACIVSA-N 0 3 330.392 1.929 10 5 EDBEHN CSc1ccc(-c2nc([C@H]3CNCCN3C)no2)cc1[N+](=O)[O-] ZINC000263132109 139324150 /nfs/dbraw/zinc/32/41/50/139324150.db2.gz BTXNJIQOGAFNHW-LLVKDONJSA-N 0 3 335.389 1.943 10 5 EDBEHN CCC[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N(C)C ZINC000162192496 442072901 /nfs/dbraw/zinc/07/29/01/442072901.db2.gz FDLDJGMVZDYRFQ-TZMCWYRMSA-N 0 3 335.408 1.733 10 5 EDBEHN CCOC(=O)c1cnc2ccc([N+](=O)[O-])cc2c1N1CCNCC1 ZINC000053994923 535715254 /nfs/dbraw/zinc/71/52/54/535715254.db2.gz SCNOCPMUXQZFNP-UHFFFAOYSA-N 0 3 330.344 1.729 10 5 EDBEHN CSc1ccc(C(=O)N2CCO[C@H](CN(C)C)C2)cc1[N+](=O)[O-] ZINC000116796587 441850202 /nfs/dbraw/zinc/85/02/02/441850202.db2.gz GXWLSGQFKOZKQU-GFCCVEGCSA-N 0 3 339.417 1.719 10 5 EDBEHN Cc1ccc(NC(=O)C(=O)N(C)CC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000103633701 219319069 /nfs/dbraw/zinc/31/90/69/219319069.db2.gz KOVXEWVUHLOXJH-UHFFFAOYSA-N 0 3 348.403 1.642 10 5 EDBEHN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCN2CCC[C@@H]2C1 ZINC000195339029 139014922 /nfs/dbraw/zinc/01/49/22/139014922.db2.gz QSSOPCWUFDQJRC-OAHLLOKOSA-N 0 3 341.371 1.701 10 5 EDBEHN CN1CCNC[C@H]1c1noc(/C=C/c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000263190808 139327545 /nfs/dbraw/zinc/32/75/45/139327545.db2.gz HWGIFWIXSKGSIT-LQPUYASZSA-N 0 3 333.323 1.863 10 5 EDBEHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160596945 272930188 /nfs/dbraw/zinc/93/01/88/272930188.db2.gz GZNKZFZGKGLGMT-ZDUSSCGKSA-N 0 3 337.376 1.180 10 5 EDBEHN COc1cc(OCC(=O)N2C[C@H]3CCCN3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000113228611 441590790 /nfs/dbraw/zinc/59/07/90/441590790.db2.gz QMILSVMEWLFTRY-CHWSQXEVSA-N 0 3 349.387 1.677 10 5 EDBEHN CC[C@H](NC(=O)NCCN(C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000090559098 441634303 /nfs/dbraw/zinc/63/43/03/441634303.db2.gz VCTOBRBINOGGPP-HNNXBMFYSA-N 0 3 338.408 1.923 10 5 EDBEHN CN(C)C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCO1 ZINC000116790574 441847106 /nfs/dbraw/zinc/84/71/06/441847106.db2.gz YMHRVWLYCXLPQQ-AWEZNQCLSA-N 0 3 348.403 1.572 10 5 EDBEHN Cc1c(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000150806125 441955151 /nfs/dbraw/zinc/95/51/51/441955151.db2.gz HYGSIROIZBLYMR-SMDDNHRTSA-N 0 3 348.403 1.687 10 5 EDBEHN CCc1nccn1[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000131872422 442382006 /nfs/dbraw/zinc/38/20/06/442382006.db2.gz JLWHMBHOAIOVCL-AWEZNQCLSA-N 0 3 345.403 1.853 10 5 EDBEHN CC(C)(C)OC[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246936135 442822350 /nfs/dbraw/zinc/82/23/50/442822350.db2.gz TYWZRFOBYZOEML-TZMCWYRMSA-N 0 3 338.408 1.652 10 5 EDBEHN Cc1c(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000190107405 443057596 /nfs/dbraw/zinc/05/75/96/443057596.db2.gz XZDBYLIKSYXVSV-WCQYABFASA-N 0 3 346.387 1.537 10 5 EDBEHN O=[N+]([O-])c1ccc(-c2noc(CN3CCN4CCC[C@@H]4C3)n2)cc1 ZINC000178639322 232328315 /nfs/dbraw/zinc/32/83/15/232328315.db2.gz NSUJJQKJVIXDTJ-CQSZACIVSA-N 0 3 329.360 1.925 10 5 EDBEHN CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)CCN1C[C@H](C)O ZINC000252352927 139204298 /nfs/dbraw/zinc/20/42/98/139204298.db2.gz OGZKDBOKOSZGTQ-DZGCQCFKSA-N 0 3 337.420 1.880 10 5 EDBEHN CNC(=O)c1ccc(NC[C@@H](O)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000053562030 287224953 /nfs/dbraw/zinc/22/49/53/287224953.db2.gz IBSANRPHQHDXSL-CYBMUJFWSA-N 0 3 336.392 1.213 10 5 EDBEHN C[C@H](N[C@@H]1CCc2ncnn2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000105870565 441300469 /nfs/dbraw/zinc/30/04/69/441300469.db2.gz HFBKNKOYZPQEGQ-CMPLNLGQSA-N 0 3 330.348 1.118 10 5 EDBEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246508796 535255976 /nfs/dbraw/zinc/25/59/76/535255976.db2.gz SQGNOMWHWCVNTB-BXUZGUMPSA-N 0 3 334.376 1.378 10 5 EDBEHN CO[C@H]1CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000040633436 213362140 /nfs/dbraw/zinc/36/21/40/213362140.db2.gz TXRGCDJAPGRXGK-KCJUWKMLSA-N 0 3 344.165 1.673 10 5 EDBEHN Cc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000193289262 138965664 /nfs/dbraw/zinc/96/56/64/138965664.db2.gz ZWRVULQURZKAKI-BXKDBHETSA-N 0 3 331.369 1.448 10 5 EDBEHN CC[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCN1C[C@H](C)O ZINC000247381328 139146777 /nfs/dbraw/zinc/14/67/77/139146777.db2.gz VXAJOABNDMJUJZ-LSDHHAIUSA-N 0 3 337.420 1.751 10 5 EDBEHN Cc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000150805489 441954745 /nfs/dbraw/zinc/95/47/45/441954745.db2.gz MEQGDAWLFLQUSS-JSGCOSHPSA-N 0 3 348.403 1.687 10 5 EDBEHN CN(C)C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000128061596 442242414 /nfs/dbraw/zinc/24/24/14/442242414.db2.gz DGFCCYPYUPUBOQ-ZDUSSCGKSA-N 0 3 345.346 1.959 10 5 EDBEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000183015241 442865056 /nfs/dbraw/zinc/86/50/56/442865056.db2.gz NFQQLRGLPJVMBP-IAQYHMDHSA-N 0 3 332.360 1.250 10 5 EDBEHN COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000237325783 139047968 /nfs/dbraw/zinc/04/79/68/139047968.db2.gz YBFAQVKTBVXRIF-MWLCHTKSSA-N 0 3 329.378 1.009 10 5 EDBEHN CN1CCNC[C@H]1c1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000263119685 139323376 /nfs/dbraw/zinc/32/33/76/139323376.db2.gz AUCJYIBBSAKNRP-LBPRGKRZSA-N 0 3 337.767 1.798 10 5 EDBEHN CN[C@H]1COC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159452392 533040683 /nfs/dbraw/zinc/04/06/83/533040683.db2.gz LZPSOTWUTACYRB-KWQFWETISA-N 0 3 344.165 1.530 10 5 EDBEHN CN(C)C[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCO1 ZINC000105927337 441317631 /nfs/dbraw/zinc/31/76/31/441317631.db2.gz UYCPZBMCCNSVMM-AWEZNQCLSA-N 0 3 347.375 1.407 10 5 EDBEHN CCOCCN1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1CC ZINC000174849510 441975998 /nfs/dbraw/zinc/97/59/98/441975998.db2.gz ZREMNNURRGVGOF-AWEZNQCLSA-N 0 3 325.413 1.224 10 5 EDBEHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCN3CCC[C@@H]3C2)cc1OC ZINC000171585385 442359151 /nfs/dbraw/zinc/35/91/51/442359151.db2.gz JHIWGBQKWSYKIT-GFCCVEGCSA-N 0 3 349.387 1.922 10 5 EDBEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000190357892 443091355 /nfs/dbraw/zinc/09/13/55/443091355.db2.gz FRPBVDOODDWFRK-UKRRQHHQSA-N 0 3 346.387 1.619 10 5 EDBEHN CN(C)C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000155382028 205012417 /nfs/dbraw/zinc/01/24/17/205012417.db2.gz UXPFRJXREMOIFV-ZDUSSCGKSA-N 0 3 336.392 1.186 10 5 EDBEHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](CNc2ccccn2)C1 ZINC000090550067 441633162 /nfs/dbraw/zinc/63/31/62/441633162.db2.gz OZNCJITYDTYGPR-AWEZNQCLSA-N 0 3 343.387 1.586 10 5 EDBEHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H](Cn3cncn3)C2)c1 ZINC000137057237 441743526 /nfs/dbraw/zinc/74/35/26/441743526.db2.gz KESAYPNSCBUEME-XJKSGUPXSA-N 0 3 331.376 1.632 10 5 EDBEHN O=C(CCN1CCC[C@@H](n2cncn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000171705341 442372310 /nfs/dbraw/zinc/37/23/10/442372310.db2.gz JYNQQUKZWCWWDW-CYBMUJFWSA-N 0 3 344.375 1.852 10 5 EDBEHN O=C(CN1CCN2CCC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000178620714 442449185 /nfs/dbraw/zinc/44/91/85/442449185.db2.gz VYMUKTNHAURACT-GFCCVEGCSA-N 0 3 338.795 1.967 10 5 EDBEHN C[C@@]1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCCCN1 ZINC000180991729 234053523 /nfs/dbraw/zinc/05/35/23/234053523.db2.gz LTNVIRYBPYXRRU-KRWDZBQOSA-N 0 3 332.404 1.776 10 5 EDBEHN CC(C)(C)OC[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000122282141 287379028 /nfs/dbraw/zinc/37/90/28/287379028.db2.gz TYWZRFOBYZOEML-GXTWGEPZSA-N 0 3 338.408 1.652 10 5 EDBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000113230003 441591108 /nfs/dbraw/zinc/59/11/08/441591108.db2.gz LRJIYTXQTMOIFR-NWDGAFQWSA-N 0 3 337.351 1.808 10 5 EDBEHN CCC[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N(C)C ZINC000136240858 442656541 /nfs/dbraw/zinc/65/65/41/442656541.db2.gz NEIHMTJTPAMBCP-MRXNPFEDSA-N 0 3 334.420 1.974 10 5 EDBEHN CCN1CCC[C@H](NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000183428777 442931146 /nfs/dbraw/zinc/93/11/46/442931146.db2.gz NHSDIPIPYQPRST-AWEZNQCLSA-N 0 3 348.403 1.234 10 5 EDBEHN [NH3+]C1CC([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000166041426 201088916 /nfs/dbraw/zinc/08/89/16/201088916.db2.gz YUIZXUCPJNOLBA-UHFFFAOYSA-N 0 3 340.188 1.670 10 5 EDBEHN CC[C@@H](NC(=O)NC[C@](C)(O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000129938916 205217139 /nfs/dbraw/zinc/21/71/39/205217139.db2.gz ADSZWKYWTLYJBM-ZBFHGGJFSA-N 0 3 338.408 1.658 10 5 EDBEHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@@H]1CCC[NH2+]C1 ZINC000237666329 139057353 /nfs/dbraw/zinc/05/73/53/139057353.db2.gz FGHFKBXAQSIULL-LBPRGKRZSA-N 0 3 327.406 1.571 10 5 EDBEHN CN1CCNC[C@H]1c1noc(COc2ccc([N+](=O)[O-])c(F)c2)n1 ZINC000263297364 139334068 /nfs/dbraw/zinc/33/40/68/139334068.db2.gz WNCJKYKZGJNRPO-LBPRGKRZSA-N 0 3 337.311 1.272 10 5 EDBEHN [NH3+]C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000089092000 295271174 /nfs/dbraw/zinc/27/11/74/295271174.db2.gz CFBUUWDXUJWQSB-SCZZXKLOSA-N 0 3 333.797 1.654 10 5 EDBEHN Cc1cccc(NC[C@@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000176223893 442194586 /nfs/dbraw/zinc/19/45/86/442194586.db2.gz CPIOLROZOLMISL-AWEZNQCLSA-N 0 3 330.392 1.929 10 5 EDBEHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCN4CCC[C@@H]4C3)o2)cc1 ZINC000171639926 442365882 /nfs/dbraw/zinc/36/58/82/442365882.db2.gz DYBDISKSGXISBA-CQSZACIVSA-N 0 3 329.360 1.925 10 5 EDBEHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185855359 443269391 /nfs/dbraw/zinc/26/93/91/443269391.db2.gz ZWJYWDREPAEUDV-TZMCWYRMSA-N 0 3 339.417 1.842 10 5 EDBEHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H](Cn2cncn2)C1 ZINC000105884352 204177288 /nfs/dbraw/zinc/17/72/88/204177288.db2.gz VITGEUPSHXDWDO-AWEZNQCLSA-N 0 3 331.376 1.977 10 5 EDBEHN CC[C@@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)CCN1C[C@@H](C)O ZINC000105827305 441282794 /nfs/dbraw/zinc/28/27/94/441282794.db2.gz CKARIJXJJSKXAQ-UKRRQHHQSA-N 0 3 337.420 1.880 10 5 EDBEHN CN(C)C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000121906559 441809062 /nfs/dbraw/zinc/80/90/62/441809062.db2.gz XRFRJIBRRUDTFC-OAHLLOKOSA-N 0 3 344.371 1.176 10 5 EDBEHN CCOCCN1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1CC ZINC000174849501 441976168 /nfs/dbraw/zinc/97/61/68/441976168.db2.gz ZREMNNURRGVGOF-CQSZACIVSA-N 0 3 325.413 1.224 10 5 EDBEHN CC(C)N1C[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000155094821 442375323 /nfs/dbraw/zinc/37/53/23/442375323.db2.gz ZWFYWZQEYKSQDY-WFASDCNBSA-N 0 3 341.433 1.743 10 5 EDBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN2CCC[C@@H]2C1 ZINC000178632728 442450311 /nfs/dbraw/zinc/45/03/11/442450311.db2.gz QZWPYKDIVPAIIZ-CYBMUJFWSA-N 0 3 334.376 1.322 10 5 EDBEHN CC[C@@H](NCCN1C(=O)NC(C)(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000181532195 442702174 /nfs/dbraw/zinc/70/21/74/442702174.db2.gz OKETUIIUIIVHNI-CYBMUJFWSA-N 0 3 334.376 1.966 10 5 EDBEHN [NH3+][C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000038050109 274961904 /nfs/dbraw/zinc/96/19/04/274961904.db2.gz YBDFKHHIQAPZQC-WDEREUQCSA-N 0 3 333.797 1.796 10 5 EDBEHN O=C(CCN1CC[C@H](N2CCOCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000173988719 534414683 /nfs/dbraw/zinc/41/46/83/534414683.db2.gz YIVBOHVOYYCCHL-INIZCTEOSA-N 0 3 348.403 1.330 10 5 EDBEHN C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1N1CCOCC1 ZINC000246212433 139099426 /nfs/dbraw/zinc/09/94/26/139099426.db2.gz CKPLTFNLTYBSAL-KBRIMQKVSA-N 0 3 335.404 1.281 10 5 EDBEHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](CN(C)C)C1 ZINC000246350141 139105026 /nfs/dbraw/zinc/10/50/26/139105026.db2.gz MKXDJPZFAVJBJH-WFASDCNBSA-N 0 3 336.392 1.184 10 5 EDBEHN [NH3+]C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000089091719 295273727 /nfs/dbraw/zinc/27/37/27/295273727.db2.gz CMTFKWXGQHRIES-LDYMZIIASA-N 0 3 333.797 1.654 10 5 EDBEHN Cc1c(NC(=O)CCN2CCC[C@@H]2C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000067962044 441701654 /nfs/dbraw/zinc/70/16/54/441701654.db2.gz VAXPNKDWFSFWAE-OAHLLOKOSA-N 0 3 348.403 1.784 10 5 EDBEHN CC(C)C[C@H](CN(C)C)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151274772 442036171 /nfs/dbraw/zinc/03/61/71/442036171.db2.gz GNIHVDAAHVTFQV-GFCCVEGCSA-N 0 3 326.401 1.067 10 5 EDBEHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc2c(c1)OCCO2 ZINC000181726743 442712750 /nfs/dbraw/zinc/71/27/50/442712750.db2.gz WRCRNRHEFVBIEY-GFCCVEGCSA-N 0 3 345.355 1.879 10 5 EDBEHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCO[C@H](CN(C)C)C1 ZINC000155376045 206003984 /nfs/dbraw/zinc/00/39/84/206003984.db2.gz JLKYKADWJSQYGZ-SWLSCSKDSA-N 0 3 336.392 1.184 10 5 EDBEHN CC[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCN1C[C@H](C)O ZINC000247381321 139146610 /nfs/dbraw/zinc/14/66/10/139146610.db2.gz VXAJOABNDMJUJZ-GJZGRUSLSA-N 0 3 337.420 1.751 10 5 EDBEHN CC[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1CCOC ZINC000137042642 441741411 /nfs/dbraw/zinc/74/14/11/441741411.db2.gz KGNCJGUYEPGLAG-RDJZCZTQSA-N 0 3 337.420 1.671 10 5 EDBEHN CC[C@H](NC(=O)NCCN(CC)CCO)c1cccc([N+](=O)[O-])c1 ZINC000187349661 529503804 /nfs/dbraw/zinc/50/38/04/529503804.db2.gz NJHOVIOIAXNODI-HNNXBMFYSA-N 0 3 338.408 1.659 10 5 EDBEHN CN(C1CNC1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000166048061 529822492 /nfs/dbraw/zinc/82/24/92/529822492.db2.gz IDOUVKUDUWTFAB-UHFFFAOYSA-N 0 3 340.188 1.494 10 5 EDBEHN COc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000237326929 286352222 /nfs/dbraw/zinc/35/22/22/286352222.db2.gz YBFAQVKTBVXRIF-KOLCDFICSA-N 0 3 329.378 1.009 10 5 EDBEHN CCN1CCC[C@H]1CN(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000177713455 276182347 /nfs/dbraw/zinc/18/23/47/276182347.db2.gz FXLQRMFOEUUFRD-INIZCTEOSA-N 0 3 346.431 1.900 10 5 EDBEHN CC[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCN1C[C@@H](C)O ZINC000105827269 441282526 /nfs/dbraw/zinc/28/25/26/441282526.db2.gz VXAJOABNDMJUJZ-CABCVRRESA-N 0 3 337.420 1.751 10 5 EDBEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000121869897 441800324 /nfs/dbraw/zinc/80/03/24/441800324.db2.gz WSVHSOYTSFIVIS-CYBMUJFWSA-N 0 3 336.392 1.626 10 5 EDBEHN CCOC(=O)c1ccnc(N2C[C@H]3CCCN3C[C@@H]2C)c1[N+](=O)[O-] ZINC000150841964 441961228 /nfs/dbraw/zinc/96/12/28/441961228.db2.gz IVVOZTLLTIEFOQ-NWDGAFQWSA-N 0 3 334.376 1.839 10 5 EDBEHN Cc1cccc(NC[C@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000176223907 442194527 /nfs/dbraw/zinc/19/45/27/442194527.db2.gz CPIOLROZOLMISL-CQSZACIVSA-N 0 3 330.392 1.929 10 5 EDBEHN CN(C)[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000170866131 442278963 /nfs/dbraw/zinc/27/89/63/442278963.db2.gz WRIDTRLXPOMPDX-CYBMUJFWSA-N 0 3 329.360 1.557 10 5 EDBEHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCN3CCC[C@H]3C2)cc1OC ZINC000171585389 442359267 /nfs/dbraw/zinc/35/92/67/442359267.db2.gz JHIWGBQKWSYKIT-LBPRGKRZSA-N 0 3 349.387 1.922 10 5 EDBEHN Cc1nn(C)c(N2CC[C@@H](CN(C)Cc3cccnc3)C2)c1[N+](=O)[O-] ZINC000190447690 443111016 /nfs/dbraw/zinc/11/10/16/443111016.db2.gz OHJFRVWAZJEIFU-HNNXBMFYSA-N 0 3 344.419 1.990 10 5 EDBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000245533805 139078096 /nfs/dbraw/zinc/07/80/96/139078096.db2.gz VMDIUXTWSBHJRD-PWSUYJOCSA-N 0 3 333.344 1.632 10 5 EDBEHN O=[N+]([O-])c1ccc(COC[C@@H]2CNCCO2)c(Br)c1 ZINC000163953583 226033718 /nfs/dbraw/zinc/03/37/18/226033718.db2.gz UIBOHBVTOYSFIH-NSHDSACASA-N 0 3 331.166 1.862 10 5 EDBEHN CC[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCN1C[C@@H](C)O ZINC000105827787 441283313 /nfs/dbraw/zinc/28/33/13/441283313.db2.gz XGQRPRLJLGHTMW-CABCVRRESA-N 0 3 337.420 1.751 10 5 EDBEHN CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)CCN1C[C@@H](C)O ZINC000106104111 441327154 /nfs/dbraw/zinc/32/71/54/441327154.db2.gz OGZKDBOKOSZGTQ-UKRRQHHQSA-N 0 3 337.420 1.880 10 5 EDBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000113226575 441589102 /nfs/dbraw/zinc/58/91/02/441589102.db2.gz DBLNRFAEAFREBN-TZMCWYRMSA-N 0 3 332.404 1.970 10 5 EDBEHN CSc1ccc(C(=O)N2CCO[C@@H](CN(C)C)C2)cc1[N+](=O)[O-] ZINC000116796589 441849464 /nfs/dbraw/zinc/84/94/64/441849464.db2.gz GXWLSGQFKOZKQU-LBPRGKRZSA-N 0 3 339.417 1.719 10 5 EDBEHN CN(C)[C@@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000170866385 442280035 /nfs/dbraw/zinc/28/00/35/442280035.db2.gz GHAGOBPAXRCFGK-CQSZACIVSA-N 0 3 329.360 1.557 10 5 EDBEHN O=C(NC1CC1)c1ccc(N2CCN3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000171939234 442392027 /nfs/dbraw/zinc/39/20/27/442392027.db2.gz YLMVGBOMSXFYOT-CQSZACIVSA-N 0 3 330.388 1.771 10 5 EDBEHN C[C@H](CCn1cccn1)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000157828374 442617897 /nfs/dbraw/zinc/61/78/97/442617897.db2.gz ISIVQDDWGFPAJR-DAXOMENPSA-N 0 3 334.376 1.254 10 5 EDBEHN C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1N1CCOCC1 ZINC000246212445 139099447 /nfs/dbraw/zinc/09/94/47/139099447.db2.gz CKPLTFNLTYBSAL-XOKHGSTOSA-N 0 3 335.404 1.281 10 5 EDBEHN Cc1cnn(CCN[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000109132869 441489175 /nfs/dbraw/zinc/48/91/75/441489175.db2.gz QCFBZEAVPSZOOB-HNNXBMFYSA-N 0 3 329.360 1.495 10 5 EDBEHN CCC[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N(C)C ZINC000162192400 442072925 /nfs/dbraw/zinc/07/29/25/442072925.db2.gz FDLDJGMVZDYRFQ-OCCSQVGLSA-N 0 3 335.408 1.733 10 5 EDBEHN CN(C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000170858970 442276478 /nfs/dbraw/zinc/27/64/78/442276478.db2.gz ODIJVHWSTFFMIY-CQSZACIVSA-N 0 3 332.404 1.971 10 5 EDBEHN C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1N1CCOCC1 ZINC000246461641 139109380 /nfs/dbraw/zinc/10/93/80/139109380.db2.gz NMLHBVKRIIHYNJ-WMLDXEAASA-N 0 3 335.404 1.626 10 5 EDBEHN O=[N+]([O-])c1ccc2nc(S(=O)(=O)C[C@H]3CCCCN3)cnc2c1 ZINC000095092266 218280110 /nfs/dbraw/zinc/28/01/10/218280110.db2.gz LZDBYMAFEFABMV-SNVBAGLBSA-N 0 3 336.373 1.454 10 5 EDBEHN CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)CCN1C[C@@H](C)O ZINC000106104113 281170122 /nfs/dbraw/zinc/17/01/22/281170122.db2.gz OGZKDBOKOSZGTQ-HIFRSBDPSA-N 0 3 337.420 1.880 10 5 EDBEHN CCN1CCC[C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000105807574 441276091 /nfs/dbraw/zinc/27/60/91/441276091.db2.gz SXMWBJDWNITSAO-ZDUSSCGKSA-N 0 3 344.375 1.390 10 5 EDBEHN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCN2CCC[C@H]2C1 ZINC000171585298 491004794 /nfs/dbraw/zinc/00/47/94/491004794.db2.gz IUKFCTHMUDKOLX-ZDUSSCGKSA-N 0 3 342.359 1.096 10 5 EDBEHN [NH3+]CCCC[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000166020868 534606097 /nfs/dbraw/zinc/60/60/97/534606097.db2.gz NJGYCQSLJFHINH-UHFFFAOYSA-N 0 3 342.204 1.919 10 5 EDBEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000129582156 527976256 /nfs/dbraw/zinc/97/62/56/527976256.db2.gz MQEWUZJIIXODDO-OAHLLOKOSA-N 0 3 348.403 1.770 10 5 EDBEHN CCN1CCC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000070825499 138204356 /nfs/dbraw/zinc/20/43/56/138204356.db2.gz VTDIGCJJFVLKJR-GFCCVEGCSA-N 0 3 337.376 1.583 10 5 EDBEHN CN1CCNC[C@H]1c1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000263272204 139332414 /nfs/dbraw/zinc/33/24/14/139332414.db2.gz SISKCWYNKOXKCA-ZDUSSCGKSA-N 0 3 331.376 1.880 10 5 EDBEHN O=C(C[C@@H]1CNCCO1)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159437602 225217308 /nfs/dbraw/zinc/21/73/08/225217308.db2.gz YTCREGYBZLFZSW-SECBINFHSA-N 0 3 344.165 1.674 10 5 EDBEHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000246917702 288317953 /nfs/dbraw/zinc/31/79/53/288317953.db2.gz ITMSGBXWJKHGSX-STQMWFEESA-N 0 3 339.417 1.842 10 5 EDBEHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N(C)C)C2)cc1OC ZINC000170857840 442276505 /nfs/dbraw/zinc/27/65/05/442276505.db2.gz SPDQIUCIOXLZMV-LLVKDONJSA-N 0 3 337.376 1.778 10 5 EDBEHN COC(=O)c1cc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000155348887 442389353 /nfs/dbraw/zinc/38/93/53/442389353.db2.gz DFONJNAUCFEYRU-NHYWBVRUSA-N 0 3 349.387 1.840 10 5 EDBEHN CCc1n[nH]c(C(=O)N2CCC[C@H]2Cn2ccnc2C)c1[N+](=O)[O-] ZINC000192683818 442676054 /nfs/dbraw/zinc/67/60/54/442676054.db2.gz UFCDMCZYGSPIPZ-NSHDSACASA-N 0 3 332.364 1.690 10 5 EDBEHN CCc1n[n-]c(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000192683818 442676057 /nfs/dbraw/zinc/67/60/57/442676057.db2.gz UFCDMCZYGSPIPZ-NSHDSACASA-N 0 3 332.364 1.690 10 5 EDBEHN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCN2CCC[C@@H]2C1 ZINC000195331829 139014786 /nfs/dbraw/zinc/01/47/86/139014786.db2.gz DYPFOVUSUSGQAG-OAHLLOKOSA-N 0 3 341.371 1.701 10 5 EDBEHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000105884125 441307138 /nfs/dbraw/zinc/30/71/38/441307138.db2.gz VEVCCWXCYGRKTR-CQSZACIVSA-N 0 3 331.376 1.977 10 5 EDBEHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](CC(C)C)CN(C)C ZINC000126817545 442145942 /nfs/dbraw/zinc/14/59/42/442145942.db2.gz FOLWXJMTKZAZBW-CYBMUJFWSA-N 0 3 325.413 1.582 10 5 EDBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177683296 442370119 /nfs/dbraw/zinc/37/01/19/442370119.db2.gz VMLHRHABYIKQTO-CYBMUJFWSA-N 0 3 332.360 1.148 10 5 EDBEHN CN(C)[C@H]1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000183015260 442865001 /nfs/dbraw/zinc/86/50/01/442865001.db2.gz NFQQLRGLPJVMBP-XHDPSFHLSA-N 0 3 332.360 1.250 10 5 EDBEHN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153836206 534001517 /nfs/dbraw/zinc/00/15/17/534001517.db2.gz NCNZZEMYOAEHOL-SWLSCSKDSA-N 0 3 339.417 1.593 10 5 EDBEHN