smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc(Cn2cc(C3CC3)cn2)ccc1Br ZINC000402098849 1081596071 /nfs/dbraw/zinc/59/60/71/1081596071.db2.gz SJLUGDGZOIZYIV-UHFFFAOYSA-N 0 0 322.162 3.480 10 5 DGBERN COCCN(CC(C)C)C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588436788 1082270166 /nfs/dbraw/zinc/27/01/66/1082270166.db2.gz OSVLBXIPIXDQAM-KAMYIIQDSA-N 0 0 320.389 3.129 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@]1(C)CCCO1 ZINC000588447788 1082318059 /nfs/dbraw/zinc/31/80/59/1082318059.db2.gz ZXDBQZMKYDGKOK-UILAEWCASA-N 0 0 305.330 3.110 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC1C[C@@H](C)O[C@@H](C)C1 ZINC000588448963 1082321331 /nfs/dbraw/zinc/32/13/31/1082321331.db2.gz FMLDBEVYYFTDGC-LZNODDDYSA-N 0 0 319.357 3.497 10 5 DGBERN Cc1cccnc1/C=C\C(=O)OCc1ccc([N+](=O)[O-])c(C)c1 ZINC000588453954 1082330885 /nfs/dbraw/zinc/33/08/85/1082330885.db2.gz HBQLFSLHCOTZSK-VURMDHGXSA-N 0 0 312.325 3.363 10 5 DGBERN O=c1[nH]cccc1CNc1c(Br)cccc1[N+](=O)[O-] ZINC000714997274 1087691917 /nfs/dbraw/zinc/69/19/17/1087691917.db2.gz GGFGZBFJZQZPNQ-UHFFFAOYSA-N 0 0 324.134 3.070 10 5 DGBERN O=[N+]([O-])c1ccc(Br)cc1NC1CCC(O)CC1 ZINC000087834110 185232871 /nfs/dbraw/zinc/23/28/71/185232871.db2.gz MOYGCOPGUYUVRB-UHFFFAOYSA-N 0 0 315.167 3.073 10 5 DGBERN CCc1nc(C(C)(C)NCc2ccc([N+](=O)[O-])cc2Cl)no1 ZINC000441218029 529714675 /nfs/dbraw/zinc/71/46/75/529714675.db2.gz PXOWLOZJNZPKEC-UHFFFAOYSA-N 0 0 324.768 3.219 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCSC1 ZINC000286650523 219103263 /nfs/dbraw/zinc/10/32/63/219103263.db2.gz DLAMYBQPCWFBJP-TZIYXEQSSA-N 0 0 320.414 3.258 10 5 DGBERN CCCCO[C@H](C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103374731 432007839 /nfs/dbraw/zinc/00/78/39/432007839.db2.gz QGQAUKDKLPTMDJ-NWDGAFQWSA-N 0 0 306.362 3.078 10 5 DGBERN CCC[C@@H]1C[C@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000226363070 201778345 /nfs/dbraw/zinc/77/83/45/201778345.db2.gz ZLZDQGZVYQEPIT-GMSGAONNSA-N 0 0 300.156 3.353 10 5 DGBERN O=[N+]([O-])c1cc(CN2CCN(c3cccs3)CC2)cs1 ZINC000121462402 185803585 /nfs/dbraw/zinc/80/35/85/185803585.db2.gz ZBAHVCDISUVZDW-UHFFFAOYSA-N 0 0 309.416 3.040 10 5 DGBERN Cc1cc([N+](=O)[O-])cn(Cc2csc(CCC(C)C)n2)c1=O ZINC000155807900 186114515 /nfs/dbraw/zinc/11/45/15/186114515.db2.gz GJRGPUONNWMTPP-UHFFFAOYSA-N 0 0 321.402 3.158 10 5 DGBERN CCSCC[C@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000173312840 186175661 /nfs/dbraw/zinc/17/56/61/186175661.db2.gz XSJMIJNWXYGYCY-JTQLQIEISA-N 0 0 321.402 3.338 10 5 DGBERN Cc1cc(N2CCC[C@H]2c2noc(C(C)C)n2)ncc1[N+](=O)[O-] ZINC000266839294 186354824 /nfs/dbraw/zinc/35/48/24/186354824.db2.gz LHZUAHUVVOOABX-NSHDSACASA-N 0 0 317.349 3.146 10 5 DGBERN CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1cccnc1 ZINC000173043602 198180315 /nfs/dbraw/zinc/18/03/15/198180315.db2.gz OMCLFEQUGFTGER-ZDUSSCGKSA-N 0 0 313.357 3.142 10 5 DGBERN COc1ccc(NC(=O)Cc2ccc(C)cc2C)c([N+](=O)[O-])c1 ZINC000005268118 181225020 /nfs/dbraw/zinc/22/50/20/181225020.db2.gz AODOTMLDOCQODI-UHFFFAOYSA-N 0 0 314.341 3.401 10 5 DGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)Cc1ccc(C)cc1C ZINC000005268117 181225033 /nfs/dbraw/zinc/22/50/33/181225033.db2.gz HJLPUWLXYITRJQ-UHFFFAOYSA-N 0 0 314.341 3.401 10 5 DGBERN Cc1ccc(-c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000005396678 181238526 /nfs/dbraw/zinc/23/85/26/181238526.db2.gz CMVBUIZNEMWPGF-UHFFFAOYSA-N 0 0 321.336 3.175 10 5 DGBERN CC[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1nccs1 ZINC000080317519 192024770 /nfs/dbraw/zinc/02/47/70/192024770.db2.gz UGYXNGOVCZKZJB-SSDOTTSWSA-N 0 0 309.376 3.324 10 5 DGBERN CCCN(C[C@H]1CCCCO1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000106694675 283287822 /nfs/dbraw/zinc/28/78/22/283287822.db2.gz DBHNHZQKFAAYDY-MRXNPFEDSA-N 0 0 320.389 3.325 10 5 DGBERN CC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000179528139 199050385 /nfs/dbraw/zinc/05/03/85/199050385.db2.gz XBARKSKJOPOCIF-UHFFFAOYSA-N 0 0 301.140 3.342 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1CNc1nnc(CCC(C)C)o1 ZINC000185902875 199901997 /nfs/dbraw/zinc/90/19/97/199901997.db2.gz VOFRNCNSSBKVDZ-UHFFFAOYSA-N 0 0 304.350 3.487 10 5 DGBERN Cc1nc([C@@H]2CCCN2C(=O)c2csc([N+](=O)[O-])c2)cs1 ZINC000187018569 200048023 /nfs/dbraw/zinc/04/80/23/200048023.db2.gz NNBVZFJXZQJENH-NSHDSACASA-N 0 0 323.399 3.399 10 5 DGBERN Cc1ccc([C@@H](C)N[C@H](C)c2nccnc2C)cc1[N+](=O)[O-] ZINC000188225073 200211828 /nfs/dbraw/zinc/21/18/28/200211828.db2.gz QXCOYSGPEORWAY-DGCLKSJQSA-N 0 0 300.362 3.413 10 5 DGBERN C[C@H](NCc1noc2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000180429966 432085771 /nfs/dbraw/zinc/08/57/71/432085771.db2.gz LTIOWUXNUJMQQX-NSHDSACASA-N 0 0 301.346 3.312 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccn(C(C)C)n1 ZINC000281117968 216092174 /nfs/dbraw/zinc/09/21/74/216092174.db2.gz GHCYWVQXLWFRTJ-ZRDIBKRKSA-N 0 0 314.345 3.414 10 5 DGBERN COc1cc(C(=O)N2C[C@H](C)CC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000188528648 200261318 /nfs/dbraw/zinc/26/13/18/200261318.db2.gz JCQUKXSLWOOYRU-MNOVXSKESA-N 0 0 306.362 3.172 10 5 DGBERN Cc1ccccc1OCc1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000005982043 181303466 /nfs/dbraw/zinc/30/34/66/181303466.db2.gz KGKPPVPXIWAMDC-UHFFFAOYSA-N 0 0 310.313 3.267 10 5 DGBERN CC(C)[C@@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050288151 283588483 /nfs/dbraw/zinc/58/84/83/283588483.db2.gz NMQOTVYXCPAGME-SNVBAGLBSA-N 0 0 319.386 3.493 10 5 DGBERN Cc1cccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000060635853 283657881 /nfs/dbraw/zinc/65/78/81/283657881.db2.gz CLADOFXGOAHMMA-SNVBAGLBSA-N 0 0 316.279 3.318 10 5 DGBERN C[C@@H]1C[C@@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000246082967 202562238 /nfs/dbraw/zinc/56/22/38/202562238.db2.gz HZZACTKDJUUUCR-CLLJXQQHSA-N 0 0 320.389 3.150 10 5 DGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000180782692 432101176 /nfs/dbraw/zinc/10/11/76/432101176.db2.gz SHHNRTBVIXGDOO-QGZVFWFLSA-N 0 0 315.373 3.140 10 5 DGBERN C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000075286816 283818083 /nfs/dbraw/zinc/81/80/83/283818083.db2.gz DLGPPJPSFUFVJS-VXGBXAGGSA-N 0 0 317.389 3.430 10 5 DGBERN CC[C@H](CSC)N(C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000091149794 193005686 /nfs/dbraw/zinc/00/56/86/193005686.db2.gz OQBUDDQXEWJZKT-SECBINFHSA-N 0 0 302.421 3.178 10 5 DGBERN CCOc1c(F)cccc1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000079657649 283885097 /nfs/dbraw/zinc/88/50/97/283885097.db2.gz LLUKWIGAXVNNPM-UHFFFAOYSA-N 0 0 318.304 3.063 10 5 DGBERN Cn1c(COc2ccc(Cl)cc2[N+](=O)[O-])nnc1C1CCC1 ZINC000181027547 432111151 /nfs/dbraw/zinc/11/11/51/432111151.db2.gz FZSYCUCYSGIFPP-UHFFFAOYSA-N 0 0 322.752 3.223 10 5 DGBERN C[C@@H]1C[C@@H]1CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454274630 241907903 /nfs/dbraw/zinc/90/79/03/241907903.db2.gz RCQJVASRYHQGMQ-BPLDGKMQSA-N 0 0 317.389 3.140 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(F)cc(F)c1 ZINC000103377829 284028709 /nfs/dbraw/zinc/02/87/09/284028709.db2.gz WSNOLARNRSPBFT-SECBINFHSA-N 0 0 318.279 3.464 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(F)ccc1F ZINC000103377028 284028837 /nfs/dbraw/zinc/02/88/37/284028837.db2.gz GTJCBGZHAGSUBY-VIFPVBQESA-N 0 0 318.279 3.464 10 5 DGBERN CC(C)COC1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103469321 284031567 /nfs/dbraw/zinc/03/15/67/284031567.db2.gz QYCPWKKFUBVRMS-UHFFFAOYSA-N 0 0 310.369 3.371 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CCC(C(C)C)CC1 ZINC000119401390 284142399 /nfs/dbraw/zinc/14/23/99/284142399.db2.gz LYPSROJFQGSZRF-UHFFFAOYSA-N 0 0 305.378 3.243 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1F ZINC000119534304 284144948 /nfs/dbraw/zinc/14/49/48/284144948.db2.gz POFIAAWKZSOBIF-JTQLQIEISA-N 0 0 317.320 3.237 10 5 DGBERN O=C(N[C@H]1COc2ccccc21)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000058726031 284255261 /nfs/dbraw/zinc/25/52/61/284255261.db2.gz MZXGSUOVNFFNAB-LBPRGKRZSA-N 0 0 318.716 3.112 10 5 DGBERN O=[N+]([O-])c1ccc(N2CC[C@H](CNc3ccccn3)C2)c(F)c1 ZINC000171364953 432126200 /nfs/dbraw/zinc/12/62/00/432126200.db2.gz HCGSXYHTCHVKJK-GFCCVEGCSA-N 0 0 316.336 3.067 10 5 DGBERN O=C(NCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000015303918 181995121 /nfs/dbraw/zinc/99/51/21/181995121.db2.gz QRACBSOTTBFCDL-UHFFFAOYSA-N 0 0 315.112 3.425 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCCSCC2)cc1OC(F)F ZINC000266313169 205257401 /nfs/dbraw/zinc/25/74/01/205257401.db2.gz DSXWSUWQMAXUED-UHFFFAOYSA-N 0 0 304.318 3.140 10 5 DGBERN CC[C@H](NC(=O)c1c(O)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000128393007 284373778 /nfs/dbraw/zinc/37/37/78/284373778.db2.gz FNVHFMLMOQFLBH-ZDUSSCGKSA-N 0 0 318.304 3.321 10 5 DGBERN Cc1ccc(C[C@H](C)N(C)C(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000128920258 284391606 /nfs/dbraw/zinc/39/16/06/284391606.db2.gz JCIPNTNTYKTGEQ-LBPRGKRZSA-N 0 0 302.330 3.199 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246448882 432132370 /nfs/dbraw/zinc/13/23/70/432132370.db2.gz NQDUMLCLDVXMDQ-QVHKTLOISA-N 0 0 320.389 3.284 10 5 DGBERN COc1c(C)cc(CN(C)C(=O)c2ccc([N+](=O)[O-])o2)cc1C ZINC000101529937 193817542 /nfs/dbraw/zinc/81/75/42/193817542.db2.gz CIWQFOAORVVBGT-UHFFFAOYSA-N 0 0 318.329 3.085 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cccc(F)c1F ZINC000152683418 284634683 /nfs/dbraw/zinc/63/46/83/284634683.db2.gz DTPFLGLIPOSJKV-SECBINFHSA-N 0 0 321.283 3.067 10 5 DGBERN CC(C)Oc1ncnc(NCc2ccccc2Cl)c1[N+](=O)[O-] ZINC000040659687 183114999 /nfs/dbraw/zinc/11/49/99/183114999.db2.gz KWSFGPHPTWQJAD-UHFFFAOYSA-N 0 0 322.752 3.438 10 5 DGBERN O=[N+]([O-])c1c(Cl)ncnc1Oc1cccc2cccnc21 ZINC000040571229 183103742 /nfs/dbraw/zinc/10/37/42/183103742.db2.gz WOZXRMVGAFSCFE-UHFFFAOYSA-N 0 0 302.677 3.379 10 5 DGBERN CCCCNc1ncnc(Oc2ccccc2OC)c1[N+](=O)[O-] ZINC000040595511 183106631 /nfs/dbraw/zinc/10/66/31/183106631.db2.gz JTTKRPALQSZYSK-UHFFFAOYSA-N 0 0 318.333 3.398 10 5 DGBERN CCNc1ncnc(NC23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-] ZINC000040596207 183106859 /nfs/dbraw/zinc/10/68/59/183106859.db2.gz QCNYKUZDFZNIKD-UHFFFAOYSA-N 0 0 317.393 3.197 10 5 DGBERN CC(=O)c1ccc(Nc2ncnc(NC(C)C)c2[N+](=O)[O-])cc1 ZINC000040597558 183107197 /nfs/dbraw/zinc/10/71/97/183107197.db2.gz DYBZDAOURAMKRU-UHFFFAOYSA-N 0 0 315.333 3.151 10 5 DGBERN CC(C)Nc1ncnc(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000040597767 183107417 /nfs/dbraw/zinc/10/74/17/183107417.db2.gz PLIKSUHCEVHEHL-UHFFFAOYSA-N 0 0 309.276 3.227 10 5 DGBERN Cc1cc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)no1 ZINC000040803191 183136414 /nfs/dbraw/zinc/13/64/14/183136414.db2.gz OARBYQNGUFTLRZ-UHFFFAOYSA-N 0 0 320.304 3.495 10 5 DGBERN CC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)nc1C ZINC000040883976 183145938 /nfs/dbraw/zinc/14/59/38/183145938.db2.gz QPOYIDXOQJQZNH-UHFFFAOYSA-N 0 0 319.342 3.123 10 5 DGBERN CC(C)[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047864479 183606635 /nfs/dbraw/zinc/60/66/35/183606635.db2.gz CPYYZGSNIBIPQK-QMMMGPOBSA-N 0 0 317.292 3.362 10 5 DGBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCO[C@@H]2CCCC[C@@H]21 ZINC000109742607 194281427 /nfs/dbraw/zinc/28/14/27/194281427.db2.gz IXMACBCMUUODQD-WCQYABFASA-N 0 0 324.764 3.032 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1COc2ccccc21 ZINC000058601193 184124594 /nfs/dbraw/zinc/12/45/94/184124594.db2.gz MIGNSFLVUURAFE-AWEZNQCLSA-N 0 0 313.313 3.158 10 5 DGBERN O=[N+]([O-])c1ccccc1C[C@H](O)c1ccc(Br)o1 ZINC000062138710 184208385 /nfs/dbraw/zinc/20/83/85/184208385.db2.gz FGPIEYCIXUDBOU-JTQLQIEISA-N 0 0 312.119 3.226 10 5 DGBERN Cc1cc(F)ccc1CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000087406006 252605808 /nfs/dbraw/zinc/60/58/08/252605808.db2.gz ACNJVHNITLHJCG-UHFFFAOYSA-N 0 0 316.332 3.323 10 5 DGBERN C[C@@H](C(=O)N1C[C@H](C)CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000248551919 285005024 /nfs/dbraw/zinc/00/50/24/285005024.db2.gz GYJQVBQNIUKKDS-GRYCIOLGSA-N 0 0 308.353 3.484 10 5 DGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1Cc2ccccc2C1 ZINC000106027127 252625446 /nfs/dbraw/zinc/62/54/46/252625446.db2.gz YZZGFSGOTQXDHM-UHFFFAOYSA-N 0 0 307.309 3.232 10 5 DGBERN O=[N+]([O-])c1ccc(CN2CCO[C@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000182067896 285113529 /nfs/dbraw/zinc/11/35/29/285113529.db2.gz JTKKNBMABMCXDD-GJZGRUSLSA-N 0 0 310.781 3.392 10 5 DGBERN O=C(C/C=C\c1cccc(F)c1)NCc1cccc([N+](=O)[O-])c1 ZINC000255047583 285123318 /nfs/dbraw/zinc/12/33/18/285123318.db2.gz KZFFDNUZFCVMQI-HYXAFXHYSA-N 0 0 314.316 3.454 10 5 DGBERN CC(=O)c1cc(N2CC[C@H](C(C)(C)C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000286503528 219023331 /nfs/dbraw/zinc/02/33/31/219023331.db2.gz NCNDEEBPLBAIQS-HOCLYGCPSA-N 0 0 320.389 3.031 10 5 DGBERN O=[N+]([O-])c1cc(CN2CCO[C@@H](c3cccs3)C2)cs1 ZINC000157787817 197216187 /nfs/dbraw/zinc/21/61/87/197216187.db2.gz HOTKJBAOLKAGKP-LLVKDONJSA-N 0 0 310.400 3.291 10 5 DGBERN CCC(C)(CC)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000157630318 197203367 /nfs/dbraw/zinc/20/33/67/197203367.db2.gz QLSBGVLNBFJVAA-UHFFFAOYSA-N 0 0 316.361 3.089 10 5 DGBERN O=c1c2cccc3cccc(c23)/c1=N/Nc1ccccc1[N+](=O)[O-] ZINC000007930738 285210083 /nfs/dbraw/zinc/21/00/83/285210083.db2.gz MAXNDFCCAPUAJJ-JZJYNLBNSA-N 0 0 317.304 3.065 10 5 DGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1NCCCC(=O)NC1CC1 ZINC000302813510 285279491 /nfs/dbraw/zinc/27/94/91/285279491.db2.gz HVANIIRAAOUVKD-UHFFFAOYSA-N 0 0 311.769 3.027 10 5 DGBERN COc1cc(OC)cc(C(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000005883367 400090068 /nfs/dbraw/zinc/09/00/68/400090068.db2.gz KSVGKLJBVCJKJB-UHFFFAOYSA-N 0 0 316.313 3.173 10 5 DGBERN O=[N+]([O-])c1cc2c(ncnc2NCc2ccc(Cl)o2)s1 ZINC000587010169 400171630 /nfs/dbraw/zinc/17/16/30/400171630.db2.gz GYRONNDEBQUZAD-UHFFFAOYSA-N 0 0 310.722 3.458 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(Sc2nnc(C)s2)c1 ZINC000092582398 400183181 /nfs/dbraw/zinc/18/31/81/400183181.db2.gz IALBMGNOJMINBT-UHFFFAOYSA-N 0 0 301.324 3.054 10 5 DGBERN COc1ccc2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2c1 ZINC000026066936 400249405 /nfs/dbraw/zinc/24/94/05/400249405.db2.gz BWSNOTGETZQRLS-UHFFFAOYSA-N 0 0 323.308 3.404 10 5 DGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCCCC1CC1 ZINC000610101570 400214031 /nfs/dbraw/zinc/21/40/31/400214031.db2.gz ZIQLAHFQXMDXIV-UHFFFAOYSA-N 0 0 319.405 3.407 10 5 DGBERN CC(=O)C(C)(C)CCC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000610950027 400326953 /nfs/dbraw/zinc/32/69/53/400326953.db2.gz PQPXOMPSXUPIMH-GFCCVEGCSA-N 0 0 320.389 3.476 10 5 DGBERN CC(C)(C)Oc1cc(N2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000611203580 400359199 /nfs/dbraw/zinc/35/91/99/400359199.db2.gz VJVGCKZPVPSEHJ-BETUJISGSA-N 0 0 306.362 3.140 10 5 DGBERN COc1ccc(NC(=O)[C@H](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000112001474 400369378 /nfs/dbraw/zinc/36/93/78/400369378.db2.gz WIRQQMLXDDGJEQ-GFCCVEGCSA-N 0 0 314.341 3.421 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(OCC(C)C)CC2)n1 ZINC000611616657 400429268 /nfs/dbraw/zinc/42/92/68/400429268.db2.gz KWDPMHVPTJTMRN-UHFFFAOYSA-N 0 0 307.394 3.248 10 5 DGBERN C[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000617746072 400445175 /nfs/dbraw/zinc/44/51/75/400445175.db2.gz YINKQISSFKVBQV-STQMWFEESA-N 0 0 313.357 3.013 10 5 DGBERN C[C@H]1CC[C@@]2(CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C2)C1 ZINC000611696444 400438075 /nfs/dbraw/zinc/43/80/75/400438075.db2.gz KZOFZNOPNIYNRK-SUMWQHHRSA-N 0 0 317.389 3.045 10 5 DGBERN O=[N+]([O-])c1cnc2c(c1)CN([C@@H]1CCc3ccc(F)cc31)CC2 ZINC000612469090 400550368 /nfs/dbraw/zinc/55/03/68/400550368.db2.gz KGBFOJBUSVTSLS-QGZVFWFLSA-N 0 0 313.332 3.175 10 5 DGBERN O=[N+]([O-])c1ccc(Br)c([C@@H](O)c2ccccc2)c1 ZINC000142590860 400630912 /nfs/dbraw/zinc/63/09/12/400630912.db2.gz CMJAWXOSAGCYRS-ZDUSSCGKSA-N 0 0 308.131 3.439 10 5 DGBERN Cc1ccc(OC[C@H](O)COc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000153660110 400688499 /nfs/dbraw/zinc/68/84/99/400688499.db2.gz QUMTURNYFISBIS-AWEZNQCLSA-N 0 0 317.341 3.030 10 5 DGBERN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(F)F ZINC000592671551 400683291 /nfs/dbraw/zinc/68/32/91/400683291.db2.gz HTCXBGHNQPLZOL-SSDOTTSWSA-N 0 0 306.696 3.269 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000054212166 400814548 /nfs/dbraw/zinc/81/45/48/400814548.db2.gz MEMXJNGLNKMCAE-INIZCTEOSA-N 0 0 311.341 3.179 10 5 DGBERN CC[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000170816992 400775582 /nfs/dbraw/zinc/77/55/82/400775582.db2.gz BMBNQXLLGAIRGY-CQSZACIVSA-N 0 0 313.357 3.049 10 5 DGBERN Cc1nc(CNC(=O)c2cc3ccccc3c3cccnc23)no1 ZINC000172393776 400823997 /nfs/dbraw/zinc/82/39/97/400823997.db2.gz NGKYUPLHVHOMQH-UHFFFAOYSA-N 0 0 318.336 3.009 10 5 DGBERN Cc1cc(N2CC[C@@](O)(C(F)(F)F)C2)c(Cl)cc1[N+](=O)[O-] ZINC000080647587 400972869 /nfs/dbraw/zinc/97/28/69/400972869.db2.gz DJUWNWGDHLJACS-NSHDSACASA-N 0 0 324.686 3.060 10 5 DGBERN CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc([N+](=O)[O-])cn1 ZINC000059241257 401088846 /nfs/dbraw/zinc/08/88/46/401088846.db2.gz QNGZRJGXJIVUEA-ZDUSSCGKSA-N 0 0 307.350 3.452 10 5 DGBERN C[C@@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C[C@H]1O ZINC000089424391 401221041 /nfs/dbraw/zinc/22/10/41/401221041.db2.gz LCJABQYGRNCPPC-FZKQIMNGSA-N 0 0 320.392 3.231 10 5 DGBERN CCc1noc([C@H](C)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000090068498 401253332 /nfs/dbraw/zinc/25/33/32/401253332.db2.gz WBBOFUWABKODKE-GWCFXTLKSA-N 0 0 304.350 3.342 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCOC3(CCCCC3)C2)c1 ZINC000301484106 286225910 /nfs/dbraw/zinc/22/59/10/286225910.db2.gz VARCZWQSYGZEQO-UHFFFAOYSA-N 0 0 324.352 3.282 10 5 DGBERN CC[C@@H]1CCCCCN1C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000194435231 286996303 /nfs/dbraw/zinc/99/63/03/286996303.db2.gz JSHSOBZWVYMVML-GFCCVEGCSA-N 0 0 306.362 3.398 10 5 DGBERN C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000185641150 165010835 /nfs/dbraw/zinc/01/08/35/165010835.db2.gz DUFMAMKFMTVUFP-ABAIWWIYSA-N 0 0 316.332 3.388 10 5 DGBERN Cc1cc(OCc2nc(-c3ccoc3)no2)c(F)cc1[N+](=O)[O-] ZINC000185647327 165010976 /nfs/dbraw/zinc/01/09/76/165010976.db2.gz VYTHATREULESIB-UHFFFAOYSA-N 0 0 319.248 3.264 10 5 DGBERN O=[N+]([O-])c1ccc(CNCc2ncc(-c3ccccc3)cn2)cc1 ZINC000185866980 165019271 /nfs/dbraw/zinc/01/92/71/165019271.db2.gz RISCEKGIJUGWQD-UHFFFAOYSA-N 0 0 320.352 3.342 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1CNc1cccc(-c2ncn(C)n2)c1 ZINC000187373782 165089478 /nfs/dbraw/zinc/08/94/78/165089478.db2.gz ABNMUTBPJGHYRB-UHFFFAOYSA-N 0 0 323.356 3.311 10 5 DGBERN C[C@@H](Sc1nccn2ccnc12)c1cccc([N+](=O)[O-])c1 ZINC000187610801 165097876 /nfs/dbraw/zinc/09/78/76/165097876.db2.gz OGMWIOVYRLEBCY-SNVBAGLBSA-N 0 0 300.343 3.491 10 5 DGBERN COc1cc(C(=O)N[C@@H](C)c2ccc(C)o2)cc([N+](=O)[O-])c1C ZINC000188665471 165132830 /nfs/dbraw/zinc/13/28/30/165132830.db2.gz WIZIEGVBZOMQED-NSHDSACASA-N 0 0 318.329 3.304 10 5 DGBERN NC(=O)c1ccc(NCc2ccc(C3CC3)cc2)c([N+](=O)[O-])c1 ZINC000189592303 165167917 /nfs/dbraw/zinc/16/79/17/165167917.db2.gz AZGSNTJKAZPGLL-UHFFFAOYSA-N 0 0 311.341 3.183 10 5 DGBERN O=[N+]([O-])c1ccccc1-c1cnn(C[C@H](O)CC2CCCC2)c1 ZINC000191378252 165246375 /nfs/dbraw/zinc/24/63/75/165246375.db2.gz MSIBQYFVAPWKPW-OAHLLOKOSA-N 0 0 315.373 3.400 10 5 DGBERN C[C@H](Nc1ncc([N+](=O)[O-])s1)c1ccccc1-n1cccn1 ZINC000192489432 165292100 /nfs/dbraw/zinc/29/21/00/165292100.db2.gz NIHNLHHEQSNVOB-JTQLQIEISA-N 0 0 315.358 3.410 10 5 DGBERN O=[N+]([O-])c1cnc(N2CC=C(c3ccccc3F)CC2)s1 ZINC000192533104 165294786 /nfs/dbraw/zinc/29/47/86/165294786.db2.gz RFSALKMKEMAVSC-UHFFFAOYSA-N 0 0 305.334 3.484 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000193052619 165316647 /nfs/dbraw/zinc/31/66/47/165316647.db2.gz BHJCNNHYPABSMM-MRXNPFEDSA-N 0 0 311.341 3.276 10 5 DGBERN O=C(N[C@@H]1COc2ccccc21)c1cc([N+](=O)[O-])ccc1Cl ZINC000194854117 165356285 /nfs/dbraw/zinc/35/62/85/165356285.db2.gz ZDXFBIUHHRBXGK-CYBMUJFWSA-N 0 0 318.716 3.112 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCCC(F)(F)F)c1 ZINC000136305976 432151306 /nfs/dbraw/zinc/15/13/06/432151306.db2.gz AWBZHYCSGZQMIY-UHFFFAOYSA-N 0 0 306.240 3.136 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nccs2)C1 ZINC000171646442 432156130 /nfs/dbraw/zinc/15/61/30/432156130.db2.gz KWYNFHNKJCHRGY-LBPRGKRZSA-N 0 0 317.370 3.071 10 5 DGBERN O=[N+]([O-])c1ccc(CN2CCCC[C@H]2c2nc[nH]n2)c(Cl)c1 ZINC000182395864 432186795 /nfs/dbraw/zinc/18/67/95/432186795.db2.gz MOUQSHWFDRYSFF-ZDUSSCGKSA-N 0 0 321.768 3.094 10 5 DGBERN CCC(CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)C1 ZINC000150930319 196605224 /nfs/dbraw/zinc/60/52/24/196605224.db2.gz LDLVJTALQPVJRK-CYBMUJFWSA-N 0 0 319.405 3.217 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C ZINC000176681427 228318307 /nfs/dbraw/zinc/31/83/07/228318307.db2.gz UKNWAJLXNJBHQI-QMTHXVAHSA-N 0 0 305.378 3.243 10 5 DGBERN C[C@H](Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)c1ccccc1 ZINC000178417759 228341329 /nfs/dbraw/zinc/34/13/29/228341329.db2.gz IUJOVRXWZOSQEF-GFCCVEGCSA-N 0 0 309.325 3.108 10 5 DGBERN O=C(Cc1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178677508 228345458 /nfs/dbraw/zinc/34/54/58/228345458.db2.gz XNXBDPYIZBUZER-UHFFFAOYSA-N 0 0 310.353 3.329 10 5 DGBERN O=[N+]([O-])c1ccc(OC[C@@H](O)CC2CCCC2)c2cccnc21 ZINC000188648880 228465093 /nfs/dbraw/zinc/46/50/93/228465093.db2.gz UDZOFARZMFNRBI-ZDUSSCGKSA-N 0 0 316.357 3.463 10 5 DGBERN COc1cc(C)cc(CNc2cc(CO)ccc2[N+](=O)[O-])c1 ZINC000302018040 230038876 /nfs/dbraw/zinc/03/88/76/230038876.db2.gz CWQRRBYEZOTKFB-UHFFFAOYSA-N 0 0 302.330 3.016 10 5 DGBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CCO[C@H]2CCCC[C@H]21 ZINC000247554139 432241669 /nfs/dbraw/zinc/24/16/69/432241669.db2.gz SVDFKSAHPLKSDU-HIFRSBDPSA-N 0 0 310.781 3.392 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2ccn(C)c2c1 ZINC000172875745 432242513 /nfs/dbraw/zinc/24/25/13/432242513.db2.gz ZKNPQRYELYXIQY-UHFFFAOYSA-N 0 0 310.313 3.042 10 5 DGBERN CC[C@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])c1nccs1 ZINC000173112445 432257985 /nfs/dbraw/zinc/25/79/85/432257985.db2.gz HVROZLPUSJLICC-NSHDSACASA-N 0 0 305.359 3.241 10 5 DGBERN O=c1c2ccccc2oc(-c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] ZINC000038927340 275043236 /nfs/dbraw/zinc/04/32/36/275043236.db2.gz GHWXBUACJPXXCK-UHFFFAOYSA-N 0 0 312.237 3.276 10 5 DGBERN CCO[C@H]1C=Cc2cc([N+](=O)[O-])cc(Br)c2O1 ZINC000211673700 276358799 /nfs/dbraw/zinc/35/87/99/276358799.db2.gz YRUJTYZJEFCVDF-SNVBAGLBSA-N 0 0 300.108 3.126 10 5 DGBERN CO[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[C@H]1C ZINC000302551047 277344265 /nfs/dbraw/zinc/34/42/65/277344265.db2.gz JXRMTMXVGBCBGH-ABAIWWIYSA-N 0 0 301.346 3.004 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CCC[C@H]3OCC[C@H]32)c1 ZINC000301659337 277823028 /nfs/dbraw/zinc/82/30/28/277823028.db2.gz MDCYTVVTCQUQEJ-ZKYQVNSYSA-N 0 0 310.325 3.112 10 5 DGBERN CC(C)c1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000190674902 278032482 /nfs/dbraw/zinc/03/24/82/278032482.db2.gz OUUBJNHOYLXFPZ-IAQYHMDHSA-N 0 0 306.362 3.016 10 5 DGBERN O=C(NCCCc1cccc(F)c1)c1ccc([N+](=O)[O-])s1 ZINC000068179613 431117043 /nfs/dbraw/zinc/11/70/43/431117043.db2.gz NEOWRTCSVUYBKL-UHFFFAOYSA-N 0 0 308.334 3.158 10 5 DGBERN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2COc3ccccc32)c1 ZINC000070070167 431238673 /nfs/dbraw/zinc/23/86/73/431238673.db2.gz 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431589870 /nfs/dbraw/zinc/58/98/70/431589870.db2.gz ZLAAHPWQLYLUAP-UHFFFAOYSA-N 0 0 311.769 3.061 10 5 DGBERN C[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000025372638 431655583 /nfs/dbraw/zinc/65/55/83/431655583.db2.gz STLZRZHEVMCPLB-GFCCVEGCSA-N 0 0 309.329 3.349 10 5 DGBERN CCc1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)cs1 ZINC000078616640 431688029 /nfs/dbraw/zinc/68/80/29/431688029.db2.gz DDHMVAXTLJSWTC-JTQLQIEISA-N 0 0 319.386 3.413 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCSCC1 ZINC000119913246 431719708 /nfs/dbraw/zinc/71/97/08/431719708.db2.gz VMLJSOWJQKQHSA-UHFFFAOYSA-N 0 0 309.391 3.182 10 5 DGBERN CC[C@H](NC(=O)c1cc(Cl)c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000090466135 431891943 /nfs/dbraw/zinc/89/19/43/431891943.db2.gz RDBDTMJGAMGDJU-LBPRGKRZSA-N 0 0 307.737 3.457 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(F)cc1 ZINC000046817580 431901289 /nfs/dbraw/zinc/90/12/89/431901289.db2.gz RACDLMSJELXPFZ-UHFFFAOYSA-N 0 0 318.304 3.015 10 5 DGBERN CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1ncccc1[N+](=O)[O-] ZINC000127868639 431982944 /nfs/dbraw/zinc/98/29/44/431982944.db2.gz WTMDPRVZWNQUBH-NWDGAFQWSA-N 0 0 323.418 3.262 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)ccc2Cl)n1 ZINC000191672589 432290824 /nfs/dbraw/zinc/29/08/24/432290824.db2.gz MXNCCJXAXQNICV-UHFFFAOYSA-N 0 0 308.725 3.025 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(C)C)cc2)n1 ZINC000191450742 432265968 /nfs/dbraw/zinc/26/59/68/432265968.db2.gz SLCCNBIHEWFCIT-UHFFFAOYSA-N 0 0 302.334 3.187 10 5 DGBERN CCO[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C12CCC2 ZINC000152310352 432321995 /nfs/dbraw/zinc/32/19/95/432321995.db2.gz UTGCIKYOZZFFEL-CHWSQXEVSA-N 0 0 324.402 3.042 10 5 DGBERN C[C@@H](C1CC1)n1nccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000251983833 432373740 /nfs/dbraw/zinc/37/37/40/432373740.db2.gz GNXWXAJAXQHZLN-JTQLQIEISA-N 0 0 300.318 3.015 10 5 DGBERN CC[C@H](Nc1ncnc2onc(C)c21)c1cccc([N+](=O)[O-])c1 ZINC000192478657 432379543 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Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000193637786 432487087 /nfs/dbraw/zinc/48/70/87/432487087.db2.gz KKCCSAFLROMCIQ-NEPJUHHUSA-N 0 0 317.345 3.174 10 5 DGBERN Cc1ccc([C@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000193638514 432487379 /nfs/dbraw/zinc/48/73/79/432487379.db2.gz BLLFTGMQVLUCCC-LBPRGKRZSA-N 0 0 317.345 3.094 10 5 DGBERN COc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154563306 432506635 /nfs/dbraw/zinc/50/66/35/432506635.db2.gz RDQBWJPOXFRYQB-UHFFFAOYSA-N 0 0 323.308 3.404 10 5 DGBERN CSc1ccc(C(=O)NCCc2ccsc2)cc1[N+](=O)[O-] ZINC000193253968 432460483 /nfs/dbraw/zinc/46/04/83/432460483.db2.gz HDNAMEZTETWVQJ-UHFFFAOYSA-N 0 0 322.411 3.351 10 5 DGBERN Cc1cccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000194066598 432521893 /nfs/dbraw/zinc/52/18/93/432521893.db2.gz CLADOFXGOAHMMA-JTQLQIEISA-N 0 0 316.279 3.318 10 5 DGBERN CC[C@@H](NC(=O)N1CCSC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000176704115 432545109 /nfs/dbraw/zinc/54/51/09/432545109.db2.gz 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432662660 /nfs/dbraw/zinc/66/26/60/432662660.db2.gz TWEUVYPKNROXRC-CQSZACIVSA-N 0 0 304.371 3.466 10 5 DGBERN CCC[C@@H]1C[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000226363056 432705565 /nfs/dbraw/zinc/70/55/65/432705565.db2.gz ZLZDQGZVYQEPIT-XCBNKYQSSA-N 0 0 300.156 3.353 10 5 DGBERN COc1cc(N[C@@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000160419792 432718878 /nfs/dbraw/zinc/71/88/78/432718878.db2.gz JGLGDWHGFQAGJF-YGRLFVJLSA-N 0 0 310.325 3.112 10 5 DGBERN Cc1ccn(-c2ccccc2CNc2nc(C)ccc2[N+](=O)[O-])n1 ZINC000178358575 432725000 /nfs/dbraw/zinc/72/50/00/432725000.db2.gz XQZCLECMSPKGHK-UHFFFAOYSA-N 0 0 323.356 3.404 10 5 DGBERN Cc1nc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)s1 ZINC000178848487 432782029 /nfs/dbraw/zinc/78/20/29/432782029.db2.gz TXTWFCRERMZDQD-SECBINFHSA-N 0 0 319.386 3.468 10 5 DGBERN CCc1ccc([C@@H]2CCCCN2c2c([N+](=O)[O-])ncn2C)o1 ZINC000266270536 288552309 /nfs/dbraw/zinc/55/23/09/288552309.db2.gz QZZXBNIQJFBMQQ-LBPRGKRZSA-N 0 0 304.350 3.215 10 5 DGBERN 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/nfs/dbraw/zinc/93/36/72/434933672.db2.gz YRLONLUFBPJPIU-QEJZJMRPSA-N 0 0 302.374 3.347 10 5 DGBERN COC(=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575379999 435031647 /nfs/dbraw/zinc/03/16/47/435031647.db2.gz PYXJJNCETBQGKU-UHFFFAOYSA-N 0 0 317.141 3.419 10 5 DGBERN COc1cc(OC(F)F)c([N+](=O)[O-])c(OC(F)(F)F)c1 ZINC000575668271 435042261 /nfs/dbraw/zinc/04/22/61/435042261.db2.gz UAYSLPFJYNRKTD-UHFFFAOYSA-N 0 0 303.139 3.103 10 5 DGBERN CCOc1cc(I)cc([N+](=O)[O-])c1CC ZINC000575695445 435046159 /nfs/dbraw/zinc/04/61/59/435046159.db2.gz KNBYJHDAYUYRGY-UHFFFAOYSA-N 0 0 321.114 3.161 10 5 DGBERN CCOC(=O)Cc1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000575699957 435047490 /nfs/dbraw/zinc/04/74/90/435047490.db2.gz MQJJMXZSQJNAEP-UHFFFAOYSA-N 0 0 322.542 3.116 10 5 DGBERN CCOC(=O)c1c(Cl)cc([N+](=O)[O-])cc1Br ZINC000575700625 435047680 /nfs/dbraw/zinc/04/76/80/435047680.db2.gz VEDPLRGHDCZWMD-UHFFFAOYSA-N 0 0 308.515 3.187 10 5 DGBERN CCOC(=O)Cc1c(Cl)cc(Br)cc1[N+](=O)[O-] ZINC000575699844 435047947 /nfs/dbraw/zinc/04/79/47/435047947.db2.gz LSKQNTFWPKRRTN-UHFFFAOYSA-N 0 0 322.542 3.116 10 5 DGBERN CSc1c(F)c([N+](=O)[O-])ccc1I ZINC000575706936 435048381 /nfs/dbraw/zinc/04/83/81/435048381.db2.gz BVDWCSVLBOAIAG-UHFFFAOYSA-N 0 0 313.091 3.060 10 5 DGBERN CSc1cc([N+](=O)[O-])c(F)cc1I ZINC000575706954 435049136 /nfs/dbraw/zinc/04/91/36/435049136.db2.gz CLPAQHLTZMQFSL-UHFFFAOYSA-N 0 0 313.091 3.060 10 5 DGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC1CC1 ZINC000569303585 435521347 /nfs/dbraw/zinc/52/13/47/435521347.db2.gz NVUBXJKDANDCAV-UHFFFAOYSA-N 0 0 307.350 3.305 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(N2CC3(CCCC3)OC(C)(C)C2)n1 ZINC000189938552 301851012 /nfs/dbraw/zinc/85/10/12/301851012.db2.gz MSWHHYLENUQBTN-UHFFFAOYSA-N 0 0 305.378 3.226 10 5 DGBERN Cc1nn(C)c(N2CC[C@H](C(F)(F)F)C(C)(C)C2)c1[N+](=O)[O-] ZINC000302724200 302786508 /nfs/dbraw/zinc/78/65/08/302786508.db2.gz NVEMQHZPMKUXDC-VIFPVBQESA-N 0 0 320.315 3.052 10 5 DGBERN O=[N+]([O-])c1cc(F)ccc1N1CCO[C@H](c2cccs2)C1 ZINC000268402531 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C[C@@H](Cc1ccsc1)N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000081398093 1197214639 /nfs/dbraw/zinc/21/46/39/1197214639.db2.gz ZGCAJXSSDGRJDS-JTQLQIEISA-N 0 0 322.361 3.499 10 5 DGBERN CC[C@H](C)C[C@@H](C)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000088312703 1197729084 /nfs/dbraw/zinc/72/90/84/1197729084.db2.gz UEIQXDLJCZLFOV-DTWKUNHWSA-N 0 0 313.785 3.385 10 5 DGBERN O=[N+]([O-])c1cccnc1NCCc1cccc(Br)c1 ZINC000313696175 1199773104 /nfs/dbraw/zinc/77/31/04/1199773104.db2.gz FJCDRYQHFSGGMO-UHFFFAOYSA-N 0 0 322.162 3.407 10 5 DGBERN CC1(C)[C@H](O)C[C@@H]1Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000232771551 1202601924 /nfs/dbraw/zinc/60/19/24/1202601924.db2.gz AZKZYMSYISHUGV-VHSXEESVSA-N 0 0 305.161 3.473 10 5 DGBERN C[C@@H]1C[C@H](C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000163332913 1203557198 /nfs/dbraw/zinc/55/71/98/1203557198.db2.gz QMRIFTQOVGPAPD-CHWSQXEVSA-N 0 0 319.405 3.169 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccs1 ZINC000588435364 1082266768 /nfs/dbraw/zinc/26/67/68/1082266768.db2.gz FFVRDHLOWAANRO-LUAWRHEFSA-N 0 0 302.355 3.376 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCc1ncccc1C ZINC000588445187 1082290477 /nfs/dbraw/zinc/29/04/77/1082290477.db2.gz RBBNIGZXGUHEMD-RAXLEYEMSA-N 0 0 312.325 3.445 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CO)c1 ZINC000588444904 1082290522 /nfs/dbraw/zinc/29/05/22/1082290522.db2.gz ZKCIGIOVKTZMLX-XFXZXTDPSA-N 0 0 312.325 3.129 10 5 DGBERN CC[C@@H]1CN(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000588446137 1082293864 /nfs/dbraw/zinc/29/38/64/1082293864.db2.gz JMVJVISCNAOTLP-KUGGDMIFSA-N 0 0 320.414 3.352 10 5 DGBERN Cc1ccncc1CNc1ncc([N+](=O)[O-])cc1Br ZINC000163042746 1091090468 /nfs/dbraw/zinc/09/04/68/1091090468.db2.gz GRCNJRUZHPNWOO-UHFFFAOYSA-N 0 0 323.150 3.068 10 5 DGBERN COc1cc(COc2cc(Cl)ccc2[N+](=O)[O-])sn1 ZINC000401049029 1093933153 /nfs/dbraw/zinc/93/31/53/1093933153.db2.gz CTJLBMSZKUWCFH-UHFFFAOYSA-N 0 0 300.723 3.292 10 5 DGBERN CC(C)(NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(C)(F)F ZINC000407222968 1094799592 /nfs/dbraw/zinc/79/95/92/1094799592.db2.gz QBYPCKYSLCXZAZ-UHFFFAOYSA-N 0 0 306.696 3.412 10 5 DGBERN O=[N+]([O-])c1cnc(N2CCC([C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000302584833 230308111 /nfs/dbraw/zinc/30/81/11/230308111.db2.gz UYBVYXMCJBRGKX-ZDUSSCGKSA-N 0 0 311.769 3.039 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1ccccc1 ZINC000193052634 282167621 /nfs/dbraw/zinc/16/76/21/282167621.db2.gz BHJCNNHYPABSMM-INIZCTEOSA-N 0 0 311.341 3.276 10 5 DGBERN C[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000181504408 199307512 /nfs/dbraw/zinc/30/75/12/199307512.db2.gz HDOUCBMXIPNJHS-MRVPVSSYSA-N 0 0 318.420 3.050 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(F)cc1 ZINC000103377626 432008001 /nfs/dbraw/zinc/00/80/01/432008001.db2.gz MKXRNSRFBIRFHW-JTQLQIEISA-N 0 0 300.289 3.325 10 5 DGBERN CCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000106867095 432022806 /nfs/dbraw/zinc/02/28/06/432022806.db2.gz KYSBPFUFFGZZIQ-OAHLLOKOSA-N 0 0 322.405 3.385 10 5 DGBERN C[C@@H](CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[S@@](C)=O ZINC000130400644 185963838 /nfs/dbraw/zinc/96/38/38/185963838.db2.gz JAICGZUDXHSXAV-PPRQPISWSA-N 0 0 324.324 3.183 10 5 DGBERN CCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000106867093 432023457 /nfs/dbraw/zinc/02/34/57/432023457.db2.gz KYSBPFUFFGZZIQ-HNNXBMFYSA-N 0 0 322.405 3.385 10 5 DGBERN Cc1csc([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000186022630 186232472 /nfs/dbraw/zinc/23/24/72/186232472.db2.gz KZLMXRCPTZJREY-SNVBAGLBSA-N 0 0 319.386 3.202 10 5 DGBERN C[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000172192355 198055482 /nfs/dbraw/zinc/05/54/82/198055482.db2.gz KESWQNPNTQSGCO-LBPRGKRZSA-N 0 0 305.378 3.315 10 5 DGBERN Cc1ccc(CC(=O)N2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000172420139 198094982 /nfs/dbraw/zinc/09/49/82/198094982.db2.gz HSZYEFSGMIATBM-UHFFFAOYSA-N 0 0 302.355 3.097 10 5 DGBERN O=[N+]([O-])c1cccc(-c2ccnc3nc(-c4cccs4)nn32)c1 ZINC000072451431 191169771 /nfs/dbraw/zinc/16/97/71/191169771.db2.gz KSRCGANBVLDCLO-UHFFFAOYSA-N 0 0 323.337 3.428 10 5 DGBERN CN(Cc1ccc(F)cc1Cl)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000107159551 432028776 /nfs/dbraw/zinc/02/87/76/432028776.db2.gz ODLULXGXVXDCIW-UHFFFAOYSA-N 0 0 312.684 3.253 10 5 DGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]2CCC[C@@H]21 ZINC000174377699 198328003 /nfs/dbraw/zinc/32/80/03/198328003.db2.gz YFEAVZUZMMDRLW-ZBEGNZNMSA-N 0 0 313.357 3.481 10 5 DGBERN CC[C@H](NC(=O)Nc1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000175187627 198440841 /nfs/dbraw/zinc/44/08/41/198440841.db2.gz RJCAUCUWTDBIRK-AWEZNQCLSA-N 0 0 317.349 3.084 10 5 DGBERN CC[C@@H](NC(=O)NCCCOC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000175531034 198487696 /nfs/dbraw/zinc/48/76/96/198487696.db2.gz BQBYMKAWULWASV-OAHLLOKOSA-N 0 0 323.393 3.160 10 5 DGBERN C[C@@H](Sc1ncccc1[N+](=O)[O-])C(=O)NC1CCC(C)CC1 ZINC000067807384 432041921 /nfs/dbraw/zinc/04/19/21/432041921.db2.gz SGNJYUJENVVLTJ-MOENNCHZSA-N 0 0 323.418 3.165 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000005379244 181236531 /nfs/dbraw/zinc/23/65/31/181236531.db2.gz LXOJRLNQRUUSPR-UHFFFAOYSA-N 0 0 301.258 3.064 10 5 DGBERN O=[N+]([O-])c1ccc2c(c1)nc(CCCO)n2C1CCCCC1 ZINC000005590677 181261373 /nfs/dbraw/zinc/26/13/73/181261373.db2.gz OUBWUSPTTAQXMO-UHFFFAOYSA-N 0 0 303.362 3.375 10 5 DGBERN CCC(C)(C)[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000133379169 432061871 /nfs/dbraw/zinc/06/18/71/432061871.db2.gz TVXUZBQBUHJSIJ-CQSZACIVSA-N 0 0 305.378 3.339 10 5 DGBERN COc1cc(C(=O)N[C@@H](C)c2ccccc2C)ccc1[N+](=O)[O-] ZINC000133516750 432065240 /nfs/dbraw/zinc/06/52/40/432065240.db2.gz QTROHJJHKDGEJG-LBPRGKRZSA-N 0 0 314.341 3.403 10 5 DGBERN O=[N+]([O-])c1c(F)cccc1N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186152397 199920927 /nfs/dbraw/zinc/92/09/27/199920927.db2.gz QEWMUBIUWFWDEG-RYUDHWBXSA-N 0 0 322.361 3.008 10 5 DGBERN CC(C)c1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000190674882 200572708 /nfs/dbraw/zinc/57/27/08/200572708.db2.gz OUUBJNHOYLXFPZ-XHDPSFHLSA-N 0 0 306.362 3.016 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000246080361 432093850 /nfs/dbraw/zinc/09/38/50/432093850.db2.gz HWUVRHJOKFFTEW-PTEHBNRSSA-N 0 0 306.362 3.354 10 5 DGBERN CCOc1ccc(CNc2c([N+](=O)[O-])c(C)nn2CC)cc1F ZINC000192574714 200904624 /nfs/dbraw/zinc/90/46/24/200904624.db2.gz XZLWPZXEYMVBPJ-UHFFFAOYSA-N 0 0 322.340 3.270 10 5 DGBERN CO[C@@H](C)c1cccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC000180742908 432098488 /nfs/dbraw/zinc/09/84/88/432098488.db2.gz JYWOUYURFVWPRI-JTQLQIEISA-N 0 0 315.329 3.137 10 5 DGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCc1cccc(F)c1 ZINC000068177505 283710068 /nfs/dbraw/zinc/71/00/68/283710068.db2.gz GELKZHZKJLKPHW-UHFFFAOYSA-N 0 0 316.332 3.025 10 5 DGBERN CCOC(=O)Cn1c2ccccc2c(=O)c2cccc(Cl)c21 ZINC000006517746 181348526 /nfs/dbraw/zinc/34/85/26/181348526.db2.gz OYGMYUDNABDCEV-UHFFFAOYSA-N 0 0 315.756 3.371 10 5 DGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000180782673 432099832 /nfs/dbraw/zinc/09/98/32/432099832.db2.gz SHHNRTBVIXGDOO-KRWDZBQOSA-N 0 0 315.373 3.140 10 5 DGBERN Cc1ccc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000248010733 202712295 /nfs/dbraw/zinc/71/22/95/202712295.db2.gz XZLKTIJYKNZWGO-NSHDSACASA-N 0 0 314.345 3.323 10 5 DGBERN COc1ccc(NC(=O)CCc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000075284765 283817886 /nfs/dbraw/zinc/81/78/86/283817886.db2.gz NSSYVMPVXLWDAN-UHFFFAOYSA-N 0 0 314.341 3.483 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000135222826 432105698 /nfs/dbraw/zinc/10/56/98/432105698.db2.gz IHKLAYNSHPDUCX-GMXABZIVSA-N 0 0 303.362 3.091 10 5 DGBERN CC[C@@H](CSC)N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000091148665 193004627 /nfs/dbraw/zinc/00/46/27/193004627.db2.gz YAZCIBWMBMVTGT-JTQLQIEISA-N 0 0 321.402 3.290 10 5 DGBERN Cc1n[nH]c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3F)ccc12 ZINC000091834312 193115482 /nfs/dbraw/zinc/11/54/82/193115482.db2.gz MPEIIUARTQYAOP-UHFFFAOYSA-N 0 0 314.276 3.171 10 5 DGBERN CC(C)CCO[C@H](C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103375441 284028702 /nfs/dbraw/zinc/02/87/02/284028702.db2.gz TWAWCEXUZZZDQY-CHWSQXEVSA-N 0 0 320.389 3.324 10 5 DGBERN Cc1ccc2c(c1)[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C2 ZINC000181229792 432118180 /nfs/dbraw/zinc/11/81/80/432118180.db2.gz VSFIJGCGPDSNKM-DJJJIMSYSA-N 0 0 324.380 3.495 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)Cc1ccccc1F ZINC000125027592 284268129 /nfs/dbraw/zinc/26/81/29/284268129.db2.gz KAFBZRKFLPNHCO-GFCCVEGCSA-N 0 0 316.332 3.403 10 5 DGBERN Cc1cc([N+](=O)[O-])cn(CC(=O)c2ccc3ccccc3c2)c1=O ZINC000127232660 284331990 /nfs/dbraw/zinc/33/19/90/284331990.db2.gz SBUWUSLAFCRZMZ-UHFFFAOYSA-N 0 0 322.320 3.101 10 5 DGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@H]1CC=CCC1 ZINC000495174948 246243874 /nfs/dbraw/zinc/24/38/74/246243874.db2.gz RWXHKVNPZRWBEY-LBPRGKRZSA-N 0 0 304.346 3.032 10 5 DGBERN Cc1ccc(Sc2ncnc(-n3ccnc3)c2[N+](=O)[O-])cc1 ZINC000040650388 183113975 /nfs/dbraw/zinc/11/39/75/183113975.db2.gz HATHJOMXVPFEFL-UHFFFAOYSA-N 0 0 313.342 3.030 10 5 DGBERN CC(C)Oc1ncnc(NCc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040657106 183114876 /nfs/dbraw/zinc/11/48/76/183114876.db2.gz GJUANUAPCVSNEW-UHFFFAOYSA-N 0 0 322.752 3.438 10 5 DGBERN COc1ccc(Nc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])cc1 ZINC000040581734 183105394 /nfs/dbraw/zinc/10/53/94/183105394.db2.gz MQPWCVWCQVFYSY-UHFFFAOYSA-N 0 0 317.349 3.347 10 5 DGBERN CNc1ncnc(Sc2cccc3cccnc32)c1[N+](=O)[O-] ZINC000040596060 183106443 /nfs/dbraw/zinc/10/64/43/183106443.db2.gz GRFBMMYSXDRWDD-UHFFFAOYSA-N 0 0 313.342 3.126 10 5 DGBERN CCOc1ccccc1Nc1ncnc(NC(C)C)c1[N+](=O)[O-] ZINC000040597808 183107538 /nfs/dbraw/zinc/10/75/38/183107538.db2.gz JOCIWWBJFIJWPR-UHFFFAOYSA-N 0 0 317.349 3.347 10 5 DGBERN CN(C)c1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040607489 183107820 /nfs/dbraw/zinc/10/78/20/183107820.db2.gz HIMBLRIZOPLJLE-UHFFFAOYSA-N 0 0 310.766 3.255 10 5 DGBERN O=[N+]([O-])c1c(Nc2cccc(Cl)c2)ncnc1N1CCCC1 ZINC000040609080 183108631 /nfs/dbraw/zinc/10/86/31/183108631.db2.gz HBJPWNHOHUXJRS-UHFFFAOYSA-N 0 0 319.752 3.382 10 5 DGBERN CCCCN(C)c1ncnc(N2CCCCCC2)c1[N+](=O)[O-] ZINC000040609985 183108687 /nfs/dbraw/zinc/10/86/87/183108687.db2.gz POPIXVWJCMZADW-UHFFFAOYSA-N 0 0 307.398 3.002 10 5 DGBERN CC(C)CN(CC(C)C)c1ncnc(OC(C)C)c1[N+](=O)[O-] ZINC000040613959 183108969 /nfs/dbraw/zinc/10/89/69/183108969.db2.gz ZKNFQYHQLGVRNX-UHFFFAOYSA-N 0 0 310.398 3.290 10 5 DGBERN CCOc1ncnc(Nc2cccc3cccnc32)c1[N+](=O)[O-] ZINC000040626389 183110464 /nfs/dbraw/zinc/11/04/64/183110464.db2.gz IICQKVYRBAIOOC-UHFFFAOYSA-N 0 0 311.301 3.075 10 5 DGBERN COc1ccc2nccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2c1 ZINC000041058025 183161108 /nfs/dbraw/zinc/16/11/08/183161108.db2.gz QSYWKUOSELQZID-UHFFFAOYSA-N 0 0 323.308 3.404 10 5 DGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1ccccc1 ZINC000105713024 194121056 /nfs/dbraw/zinc/12/10/56/194121056.db2.gz BRQDIIFSFADSAG-LBPRGKRZSA-N 0 0 305.355 3.271 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)c2cccc3ccccc32)n1 ZINC000191571069 284781793 /nfs/dbraw/zinc/78/17/93/284781793.db2.gz UBTVYWHJSRMUFP-UHFFFAOYSA-N 0 0 324.340 3.241 10 5 DGBERN O=C(c1csc([N+](=O)[O-])c1)N1CCCC[C@H]1c1nccs1 ZINC000172213001 296297811 /nfs/dbraw/zinc/29/78/11/296297811.db2.gz DASFGUPRMAORME-JTQLQIEISA-N 0 0 323.399 3.480 10 5 DGBERN CCCN(C[C@H]1CCCCO1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000106696246 194245343 /nfs/dbraw/zinc/24/53/43/194245343.db2.gz HRTDJBTWRSXQJK-OAHLLOKOSA-N 0 0 320.389 3.325 10 5 DGBERN C[C@@H](Nc1ncc(Br)cc1[N+](=O)[O-])c1cccnc1 ZINC000048552558 183665220 /nfs/dbraw/zinc/66/52/20/183665220.db2.gz QXUWRDXDPXQFPB-MRVPVSSYSA-N 0 0 323.150 3.320 10 5 DGBERN O=[N+]([O-])c1ccc(C[C@@H](O)c2ccc(Br)o2)cc1 ZINC000062140099 184208608 /nfs/dbraw/zinc/20/86/08/184208608.db2.gz PITVONXMFVVISU-SNVBAGLBSA-N 0 0 312.119 3.226 10 5 DGBERN O=[N+]([O-])c1ccc([C@@H](O)Cc2cccc(Br)c2)o1 ZINC000062143322 184208934 /nfs/dbraw/zinc/20/89/34/184208934.db2.gz YLSPMAGSNIPFPP-JTQLQIEISA-N 0 0 312.119 3.226 10 5 DGBERN CC[C@H](NS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000090222052 252613579 /nfs/dbraw/zinc/61/35/79/252613579.db2.gz CFNGFHGNSGYYPT-HNNXBMFYSA-N 0 0 320.370 3.024 10 5 DGBERN CCCn1nccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117605629 194835485 /nfs/dbraw/zinc/83/54/85/194835485.db2.gz YOHFXZJZYIQNCP-UHFFFAOYSA-N 0 0 322.752 3.036 10 5 DGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000118941504 194943075 /nfs/dbraw/zinc/94/30/75/194943075.db2.gz SRCVHSOAQSJNBT-KBPBESRZSA-N 0 0 324.764 3.032 10 5 DGBERN O=[N+]([O-])c1c2cccnc2ccc1N1CCC(c2cc[nH]n2)CC1 ZINC000110414595 285079738 /nfs/dbraw/zinc/07/97/38/285079738.db2.gz MORPZZDVRNLWGZ-UHFFFAOYSA-N 0 0 323.356 3.250 10 5 DGBERN O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1C[C@H]2CC[C@@H](C1)O2 ZINC000408103442 285088132 /nfs/dbraw/zinc/08/81/32/285088132.db2.gz ALKMXQOKXWRFNS-DTORHVGOSA-N 0 0 303.145 3.269 10 5 DGBERN O=C(NC/C=C\c1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000255073934 285126640 /nfs/dbraw/zinc/12/66/40/285126640.db2.gz GTFXLDDVKVBPNP-DAXSKMNVSA-N 0 0 300.289 3.177 10 5 DGBERN O=[N+]([O-])c1ccc2[nH]c(N3CCOC4(CCCCC4)C3)nc2c1 ZINC000278160836 285140902 /nfs/dbraw/zinc/14/09/02/285140902.db2.gz AIPWCZWRVJHJRZ-UHFFFAOYSA-N 0 0 316.361 3.011 10 5 DGBERN COc1cc(C(=O)NC/C=C\c2ccccc2)ccc1[N+](=O)[O-] ZINC000255294102 285142929 /nfs/dbraw/zinc/14/29/29/285142929.db2.gz BFLSZRLZWPOYCY-YVMONPNESA-N 0 0 312.325 3.047 10 5 DGBERN COC(=O)/C=C/c1ccc(N[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302550405 533124657 /nfs/dbraw/zinc/12/46/57/533124657.db2.gz QEIRERJJSOZKTI-PJKPIPPESA-N 0 0 304.346 3.382 10 5 DGBERN O=[N+]([O-])c1cnc(N2CCc3[nH]c4ccccc4c3C2)s1 ZINC000190310802 285177694 /nfs/dbraw/zinc/17/76/94/285177694.db2.gz AQVGGKIYNQUIPG-UHFFFAOYSA-N 0 0 300.343 3.095 10 5 DGBERN CC(C)(C)[C@@H](O)COc1c(Br)cccc1[N+](=O)[O-] ZINC000289952519 221337465 /nfs/dbraw/zinc/33/74/65/221337465.db2.gz BGYDIVUCMQNRTR-JTQLQIEISA-N 0 0 318.167 3.143 10 5 DGBERN O=[N+]([O-])c1ccc(N2CC[C@@]3(O)CCCC[C@@H]3C2)c(Cl)c1 ZINC000128313789 195954922 /nfs/dbraw/zinc/95/49/22/195954922.db2.gz ANUDIOQMBWOZIW-ABAIWWIYSA-N 0 0 310.781 3.380 10 5 DGBERN C[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000176497107 533236277 /nfs/dbraw/zinc/23/62/77/533236277.db2.gz VUWNYSSJXVGKTG-GFCCVEGCSA-N 0 0 313.357 3.145 10 5 DGBERN C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1 ZINC000301287873 533565680 /nfs/dbraw/zinc/56/56/80/533565680.db2.gz RPTIPETUAFXQIL-SECBINFHSA-N 0 0 320.736 3.082 10 5 DGBERN COC(=O)[C@]12CCC[C@@H]1CN(c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000302151021 533638322 /nfs/dbraw/zinc/63/83/22/533638322.db2.gz HQSRQIHCRSJGLV-BMIGLBTASA-N 0 0 324.764 3.028 10 5 DGBERN O=C(Nc1ccc2nccn2c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000609619412 400181287 /nfs/dbraw/zinc/18/12/87/400181287.db2.gz KZAACVDJHPRKBR-UHFFFAOYSA-N 0 0 316.704 3.148 10 5 DGBERN Cc1nc(NCc2ccnc(OC(C)(C)C)c2)ccc1[N+](=O)[O-] ZINC000091674446 400130891 /nfs/dbraw/zinc/13/08/91/400130891.db2.gz PXKBSOJHQCQCGA-UHFFFAOYSA-N 0 0 316.361 3.483 10 5 DGBERN Cc1ccnc(NCc2ccnc(OC(C)(C)C)c2)c1[N+](=O)[O-] ZINC000091674322 400130942 /nfs/dbraw/zinc/13/09/42/400130942.db2.gz NZTFGYCAGPUBBT-UHFFFAOYSA-N 0 0 316.361 3.483 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000067025465 400137427 /nfs/dbraw/zinc/13/74/27/400137427.db2.gz LYAFBKICFYKRMA-LLVKDONJSA-N 0 0 314.345 3.323 10 5 DGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H](OC(F)F)C1 ZINC000588827775 400232837 /nfs/dbraw/zinc/23/28/37/400232837.db2.gz TWNMWJRHHOKDHF-NSHDSACASA-N 0 0 314.288 3.005 10 5 DGBERN O=C(NCCCc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000068180170 400241091 /nfs/dbraw/zinc/24/10/91/400241091.db2.gz LZRLEZIQHPQYIC-UHFFFAOYSA-N 0 0 302.305 3.097 10 5 DGBERN O=C(Nc1ccc2nccn2c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609970952 400203825 /nfs/dbraw/zinc/20/38/25/400203825.db2.gz UTNJOUMOHVWXID-UHFFFAOYSA-N 0 0 316.704 3.148 10 5 DGBERN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccncc1 ZINC000610526815 400271851 /nfs/dbraw/zinc/27/18/51/400271851.db2.gz YZKQNDVLPPPUQI-JTQLQIEISA-N 0 0 319.748 3.177 10 5 DGBERN CCN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000589696073 400322633 /nfs/dbraw/zinc/32/26/33/400322633.db2.gz FMPBZAQAOKNKLU-SNVBAGLBSA-N 0 0 304.268 3.229 10 5 DGBERN O=[N+]([O-])c1cnc(Br)cc1SC(F)(F)F ZINC000396145695 400281447 /nfs/dbraw/zinc/28/14/47/400281447.db2.gz AYFLEKDTSXMQGW-UHFFFAOYSA-N 0 0 303.059 3.364 10 5 DGBERN O=[N+]([O-])c1cccc(Br)c1NCC[C@H]1CCCO1 ZINC000596070541 400308988 /nfs/dbraw/zinc/30/89/88/400308988.db2.gz RHNSZUAPGUVFKM-SECBINFHSA-N 0 0 315.167 3.338 10 5 DGBERN COc1nc(C)cc(C)c1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000610929367 400325010 /nfs/dbraw/zinc/32/50/10/400325010.db2.gz GNRRYTFEZCYJPQ-UHFFFAOYSA-N 0 0 322.752 3.276 10 5 DGBERN O=[N+]([O-])c1cc(Br)ccc1NCC[C@@H]1CCCO1 ZINC000037987989 400394925 /nfs/dbraw/zinc/39/49/25/400394925.db2.gz SSHUIRIMPRIZNZ-JTQLQIEISA-N 0 0 315.167 3.338 10 5 DGBERN O=[N+]([O-])c1ccccc1OCc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000072237510 400375724 /nfs/dbraw/zinc/37/57/24/400375724.db2.gz HLEFVTFXKYRAPY-UHFFFAOYSA-N 0 0 314.276 3.098 10 5 DGBERN C[C@H]1C[C@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000611518053 400414000 /nfs/dbraw/zinc/41/40/00/400414000.db2.gz FDITVEIGXRUBFP-UONOGXRCSA-N 0 0 304.390 3.374 10 5 DGBERN COc1cc(NC[C@H](O)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000124919450 400479239 /nfs/dbraw/zinc/47/92/39/400479239.db2.gz ACBAAZLVJXOPHE-AWEZNQCLSA-N 0 0 312.341 3.096 10 5 DGBERN Cc1ccc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)s1 ZINC000126990425 400498517 /nfs/dbraw/zinc/49/85/17/400498517.db2.gz ZMMFDAHHALZBRZ-VIFPVBQESA-N 0 0 319.386 3.029 10 5 DGBERN O=[N+]([O-])c1ccc([C@@H](O)c2ccccc2)c(Br)c1 ZINC000142624097 400630779 /nfs/dbraw/zinc/63/07/79/400630779.db2.gz BJSNPKDWRYYFTK-ZDUSSCGKSA-N 0 0 308.131 3.439 10 5 DGBERN CCN(CCc1nccs1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000159263088 400729052 /nfs/dbraw/zinc/72/90/52/400729052.db2.gz JXPAVVIGODHRAJ-UHFFFAOYSA-N 0 0 309.366 3.255 10 5 DGBERN CC(=O)N=c1ccc2nc3c(cc(N)c4ccccc43)oc-2c1 ZINC000604935372 400815855 /nfs/dbraw/zinc/81/58/55/400815855.db2.gz VPKBNFVPXKODST-UHFFFAOYSA-N 0 0 303.321 3.115 10 5 DGBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)[nH]c1C ZINC000619607310 400871595 /nfs/dbraw/zinc/87/15/95/400871595.db2.gz HLUHNKRYQGSOTC-UHFFFAOYSA-N 0 0 303.318 3.191 10 5 DGBERN Cc1sc(C(=O)Nc2ccc3nccnc3c2)cc1[N+](=O)[O-] ZINC000055443633 400869005 /nfs/dbraw/zinc/86/90/05/400869005.db2.gz YINMMJUCUYKJPL-UHFFFAOYSA-N 0 0 314.326 3.160 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@@H](C)Cc2c(C)noc2C)c1 ZINC000080645882 400972319 /nfs/dbraw/zinc/97/23/19/400972319.db2.gz LJCKJCIPOFYMEG-QMMMGPOBSA-N 0 0 323.324 3.390 10 5 DGBERN Cc1csc(N2CCCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000057148337 400975388 /nfs/dbraw/zinc/97/53/88/400975388.db2.gz LATFKEDRZMLUFP-UHFFFAOYSA-N 0 0 318.402 3.076 10 5 DGBERN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCO[C@@H](CCF)C1 ZINC000600205391 401220825 /nfs/dbraw/zinc/22/08/25/401220825.db2.gz QWXFHSJOJYNDIV-WQMJKPAKSA-N 0 0 308.353 3.059 10 5 DGBERN CO[C@H]1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC[C@H]1C ZINC000187977846 286071569 /nfs/dbraw/zinc/07/15/69/286071569.db2.gz GPRJUAMRHSCFMV-YGRLFVJLSA-N 0 0 320.389 3.017 10 5 DGBERN CCO[C@H]1C[C@@H](N(C)c2ncccc2[N+](=O)[O-])C12CCCC2 ZINC000156880959 286471849 /nfs/dbraw/zinc/47/18/49/286471849.db2.gz GKGYKVJBTSTILG-KGLIPLIRSA-N 0 0 305.378 3.164 10 5 DGBERN CCOc1ccc([N+](=O)[O-])cc1CNc1cn(C)nc1C(C)C ZINC000360769823 286532437 /nfs/dbraw/zinc/53/24/37/286532437.db2.gz CICXFKCDCOYSGV-UHFFFAOYSA-N 0 0 318.377 3.463 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCCC1CCCC1 ZINC000173773697 164706253 /nfs/dbraw/zinc/70/62/53/164706253.db2.gz LCMAFZFEONHSHC-UHFFFAOYSA-N 0 0 305.378 3.389 10 5 DGBERN CC[C@H](NC(=O)Nc1ccncc1F)c1cccc([N+](=O)[O-])c1 ZINC000184162965 164970445 /nfs/dbraw/zinc/97/04/45/164970445.db2.gz OSHCPSHEMBAPJA-ZDUSSCGKSA-N 0 0 318.308 3.402 10 5 DGBERN CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000185352253 165001682 /nfs/dbraw/zinc/00/16/82/165001682.db2.gz GIAIGMICKCLVOD-STQMWFEESA-N 0 0 314.345 3.216 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1CNc1nnc(-c2ccco2)o1 ZINC000185851692 165018570 /nfs/dbraw/zinc/01/85/70/165018570.db2.gz VELXAGVXSHJDDU-UHFFFAOYSA-N 0 0 300.274 3.158 10 5 DGBERN Cc1cc(NCc2ncc(-c3ccccc3)cn2)ncc1[N+](=O)[O-] ZINC000185996044 165024615 /nfs/dbraw/zinc/02/46/15/165024615.db2.gz XAGQUVVFEYLIEM-UHFFFAOYSA-N 0 0 321.340 3.367 10 5 DGBERN CN1Cc2cc(NCc3ccc([N+](=O)[O-])cc3)ccc2NC1=O ZINC000187474292 165092411 /nfs/dbraw/zinc/09/24/11/165092411.db2.gz GIYFFKJPGDMVAY-UHFFFAOYSA-N 0 0 312.329 3.184 10 5 DGBERN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])s2)CC2(CCCC2)O1 ZINC000189371769 165160001 /nfs/dbraw/zinc/16/00/01/165160001.db2.gz OYFMKMSBDKHJHO-UHFFFAOYSA-N 0 0 324.402 3.220 10 5 DGBERN CN1CC[C@@H](CNc2ncc([N+](=O)[O-])s2)c2ccccc21 ZINC000195510371 165372309 /nfs/dbraw/zinc/37/23/09/165372309.db2.gz PHXATYVWDNSYBB-JTQLQIEISA-N 0 0 304.375 3.087 10 5 DGBERN Cc1csc([C@H]2CCCN(c3ncc([N+](=O)[O-])s3)C2)n1 ZINC000195512130 165372359 /nfs/dbraw/zinc/37/23/59/165372359.db2.gz OAVWXIUVFHFXMR-VIFPVBQESA-N 0 0 310.404 3.200 10 5 DGBERN CSc1ccc(C(=O)N2CCCC23CCC3)cc1[N+](=O)[O-] ZINC000365595773 287150237 /nfs/dbraw/zinc/15/02/37/287150237.db2.gz DMLIPTOTTHRBRT-UHFFFAOYSA-N 0 0 306.387 3.475 10 5 DGBERN COC(=O)c1cc(N[C@@H](C)c2ccccn2)cc(C)c1[N+](=O)[O-] ZINC000129202699 196028582 /nfs/dbraw/zinc/02/85/82/196028582.db2.gz BXMCJXIYKPTBLH-NSHDSACASA-N 0 0 315.329 3.258 10 5 DGBERN CC(C)(C(=O)NCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000172063799 432194732 /nfs/dbraw/zinc/19/47/32/432194732.db2.gz DNEKFMWFBAITJC-UHFFFAOYSA-N 0 0 304.371 3.250 10 5 DGBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1nnc2n1CCCC2 ZINC000131194521 196148615 /nfs/dbraw/zinc/14/86/15/196148615.db2.gz NFARGZQFHLKUFK-SECBINFHSA-N 0 0 321.768 3.349 10 5 DGBERN CCN(CCc1nccs1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000131287867 196157666 /nfs/dbraw/zinc/15/76/66/196157666.db2.gz VWPAKOBSMNCDOL-UHFFFAOYSA-N 0 0 319.386 3.065 10 5 DGBERN O=[N+]([O-])c1ccc(F)cc1CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000172271983 432205942 /nfs/dbraw/zinc/20/59/42/432205942.db2.gz MICIOCWRHXFKAN-CQSZACIVSA-N 0 0 304.325 3.184 10 5 DGBERN C[C@@H]1COC[C@H](C)N1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172574857 432221211 /nfs/dbraw/zinc/22/12/11/432221211.db2.gz AMSVDYSDFVJDKR-AOOOYVTPSA-N 0 0 320.370 3.059 10 5 DGBERN C[C@@H](NC(=O)N1C[C@H](C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000247410334 432228517 /nfs/dbraw/zinc/22/85/17/432228517.db2.gz IUFQLAZQHMQWRN-FRRDWIJNSA-N 0 0 305.378 3.486 10 5 DGBERN CSCCCCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000133730707 196332677 /nfs/dbraw/zinc/33/26/77/196332677.db2.gz IOGWXQHPEAYNKH-NSHDSACASA-N 0 0 308.403 3.406 10 5 DGBERN Cc1cc(C(=O)Nc2cc(C3CC3)nc(C)n2)ccc1[N+](=O)[O-] ZINC000160241824 228245204 /nfs/dbraw/zinc/24/52/04/228245204.db2.gz TVHIWSLRDQDATM-UHFFFAOYSA-N 0 0 312.329 3.131 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC1CC1)c1ccccc1 ZINC000175383141 228300479 /nfs/dbraw/zinc/30/04/79/228300479.db2.gz FYBNSZBRDRNXIK-UHFFFAOYSA-N 0 0 311.341 3.355 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)NCC2(C)CCC2)cc1[N+](=O)[O-] ZINC000176640982 228317103 /nfs/dbraw/zinc/31/71/03/228317103.db2.gz WAQYPYFXQMAIND-GFCCVEGCSA-N 0 0 305.378 3.454 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC(C)(C)C[C@H]1C ZINC000176681439 228318221 /nfs/dbraw/zinc/31/82/21/228318221.db2.gz UKNWAJLXNJBHQI-YGRLFVJLSA-N 0 0 305.378 3.243 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2CCC(C)C)n1 ZINC000191671494 228531283 /nfs/dbraw/zinc/53/12/83/228531283.db2.gz HBQDNHCBYJXJGK-CYBMUJFWSA-N 0 0 322.409 3.242 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC(C)(C)C1CCCC1 ZINC000130844023 292641898 /nfs/dbraw/zinc/64/18/98/292641898.db2.gz NDBLPSIBCKGKQW-UHFFFAOYSA-N 0 0 305.378 3.244 10 5 DGBERN Cc1ccccc1O[C@H](C)CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302026300 230045525 /nfs/dbraw/zinc/04/55/25/230045525.db2.gz IATRQZWFUIPFTI-CYBMUJFWSA-N 0 0 316.357 3.275 10 5 DGBERN CO[C@H](CNc1cc(CO)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000302039913 230056387 /nfs/dbraw/zinc/05/63/87/230056387.db2.gz NIHKVRMMWNTYHS-MRXNPFEDSA-N 0 0 320.320 3.026 10 5 DGBERN Cc1cc(F)ccc1CCNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302071521 230079868 /nfs/dbraw/zinc/07/98/68/230079868.db2.gz VWVBENJWYXTRBB-UHFFFAOYSA-N 0 0 304.321 3.189 10 5 DGBERN COc1cc2c(cc1F)ncnc2Oc1cccc([N+](=O)[O-])c1 ZINC000302155644 230129782 /nfs/dbraw/zinc/12/97/82/230129782.db2.gz DXYLGTOEXXBFIQ-UHFFFAOYSA-N 0 0 315.260 3.478 10 5 DGBERN CO[C@H]1CN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC[C@H]1C ZINC000302528379 230284399 /nfs/dbraw/zinc/28/43/99/230284399.db2.gz DTXAXVOARLXMQC-RNCFNFMXSA-N 0 0 316.304 3.057 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2c1cccc2F ZINC000183723270 263601372 /nfs/dbraw/zinc/60/13/72/263601372.db2.gz LJSJPXYBRJIHCV-UHFFFAOYSA-N 0 0 300.289 3.245 10 5 DGBERN Cc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc([N+](=O)[O-])c1 ZINC000194387064 263813037 /nfs/dbraw/zinc/81/30/37/263813037.db2.gz RUZVNNLFKJEADJ-LLVKDONJSA-N 0 0 316.279 3.318 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000195032221 263824818 /nfs/dbraw/zinc/82/48/18/263824818.db2.gz QWQJIICLMQZYAL-SECBINFHSA-N 0 0 319.748 3.443 10 5 DGBERN O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000172807746 432236670 /nfs/dbraw/zinc/23/66/70/432236670.db2.gz YTMKNQHPKHWMDV-CVEARBPZSA-N 0 0 302.374 3.427 10 5 DGBERN Cc1ccnc(N[C@@H](C)COCc2ccccc2)c1[N+](=O)[O-] ZINC000172780923 432235189 /nfs/dbraw/zinc/23/51/89/432235189.db2.gz NWBGKWLWNOCELX-ZDUSSCGKSA-N 0 0 301.346 3.315 10 5 DGBERN O=c1c2cc3ccccc3cc2ncn1C[C@@H](O)CC1CCCC1 ZINC000191285377 432245261 /nfs/dbraw/zinc/24/52/61/432245261.db2.gz WIMIOBJGOMSAER-KRWDZBQOSA-N 0 0 322.408 3.491 10 5 DGBERN O=[N+]([O-])c1ccc(-c2nccn2C[C@@H](O)C2CCCCC2)cc1 ZINC000191310170 432248900 /nfs/dbraw/zinc/24/89/00/432248900.db2.gz OLMJVPNUSUWUKL-MRXNPFEDSA-N 0 0 315.373 3.400 10 5 DGBERN Cc1sc(C(=O)N[C@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000183033707 432251997 /nfs/dbraw/zinc/25/19/97/432251997.db2.gz NPKYLKKOSFFHCG-NSHDSACASA-N 0 0 312.391 3.041 10 5 DGBERN O=[N+]([O-])c1ccccc1-c1cnn(C[C@@H](O)C2CCCCC2)c1 ZINC000191378301 432257233 /nfs/dbraw/zinc/25/72/33/432257233.db2.gz SGXUWJQIEFNNBK-QGZVFWFLSA-N 0 0 315.373 3.400 10 5 DGBERN O=[N+]([O-])c1ccc(OC[C@@H](O)C2CCCCC2)c2cccnc21 ZINC000191380250 432257962 /nfs/dbraw/zinc/25/79/62/432257962.db2.gz YIIOSTPJHMZVDM-OAHLLOKOSA-N 0 0 316.357 3.463 10 5 DGBERN O=[N+]([O-])c1ccc(OC[C@H](O)C2CCCCC2)c2cccnc21 ZINC000191380238 432258620 /nfs/dbraw/zinc/25/86/20/432258620.db2.gz YIIOSTPJHMZVDM-HNNXBMFYSA-N 0 0 316.357 3.463 10 5 DGBERN Cc1cn2c(n1)CC[C@H](Nc1c(C)cc([N+](=O)[O-])cc1Cl)C2 ZINC000302815326 274823862 /nfs/dbraw/zinc/82/38/62/274823862.db2.gz IBWCNRHRFYHOQQ-NSHDSACASA-N 0 0 320.780 3.488 10 5 DGBERN O=[N+]([O-])[C@H]1[C@H](O)c2cc(Cl)ccc2O[C@@H]1c1ccccc1 ZINC000196489257 275032683 /nfs/dbraw/zinc/03/26/83/275032683.db2.gz QPNVLFYMEAMXSZ-RRFJBIMHSA-N 0 0 305.717 3.152 10 5 DGBERN CC(=O)c1ccc(N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000272569661 275504011 /nfs/dbraw/zinc/50/40/11/275504011.db2.gz SWZBWTCITOYJJN-CZUORRHYSA-N 0 0 320.389 3.031 10 5 DGBERN CC(C)(C)SCC(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000162248995 275834559 /nfs/dbraw/zinc/83/45/59/275834559.db2.gz UWNSJYWXOFMMII-UHFFFAOYSA-N 0 0 308.403 3.406 10 5 DGBERN COc1cc(N2CCC([C@@H]3CCCO3)CC2)c([N+](=O)[O-])cc1F ZINC000276005862 277381358 /nfs/dbraw/zinc/38/13/58/277381358.db2.gz LLAOPFLYNUTNGW-HNNXBMFYSA-N 0 0 324.352 3.138 10 5 DGBERN COc1cccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000103377556 278007596 /nfs/dbraw/zinc/00/75/96/278007596.db2.gz INXUHGJDIDQCBP-NSHDSACASA-N 0 0 312.325 3.195 10 5 DGBERN CC(=O)c1ccc(N(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000301346603 278246555 /nfs/dbraw/zinc/24/65/55/278246555.db2.gz JWLXDAKIGAVCKD-DAXOMENPSA-N 0 0 318.373 3.047 10 5 DGBERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000117578541 278547807 /nfs/dbraw/zinc/54/78/07/278547807.db2.gz HZXGNMQDZPZLQP-BJOHPYRUSA-N 0 0 316.288 3.237 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCCC23CCOCC3)n1 ZINC000407960731 278665510 /nfs/dbraw/zinc/66/55/10/278665510.db2.gz XBHUHPROIHOOGO-CYBMUJFWSA-N 0 0 305.378 3.368 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C(F)(F)F)CC1 ZINC000081312306 278745225 /nfs/dbraw/zinc/74/52/25/278745225.db2.gz MQTJGQGWCBAMAF-UHFFFAOYSA-N 0 0 316.279 3.318 10 5 DGBERN CCCO[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000108225253 431131250 /nfs/dbraw/zinc/13/12/50/431131250.db2.gz PRDOJHMJVCVZSJ-OAHLLOKOSA-N 0 0 320.389 3.325 10 5 DGBERN COC(=O)c1c(Cl)c([N+](=O)[O-])cc2cc(Cl)cnc21 ZINC000071973954 431324004 /nfs/dbraw/zinc/32/40/04/431324004.db2.gz NWNLFJVEJGRNMB-UHFFFAOYSA-N 0 0 301.085 3.236 10 5 DGBERN CN(Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008052543 431377381 /nfs/dbraw/zinc/37/73/81/431377381.db2.gz FSJVRTXUCFTYMV-UHFFFAOYSA-N 0 0 305.265 3.279 10 5 DGBERN CCO[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000074288844 431409519 /nfs/dbraw/zinc/40/95/19/431409519.db2.gz GCZWUMGSOOOGFO-HNNXBMFYSA-N 0 0 308.378 3.084 10 5 DGBERN C[C@H]1CC[C@H](C)N(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000075288210 431465960 /nfs/dbraw/zinc/46/59/60/431465960.db2.gz RPJGSYGVVGROMC-QWRGUYRKSA-N 0 0 301.346 3.337 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]1c1ccco1 ZINC000116041528 431480183 /nfs/dbraw/zinc/48/01/83/431480183.db2.gz RBBMPHIPKJYWAC-CYBMUJFWSA-N 0 0 304.277 3.304 10 5 DGBERN Cn1cc([C@H]2CCCN2Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000116277214 431500776 /nfs/dbraw/zinc/50/07/76/431500776.db2.gz CAPMZKRGAAHPMW-CQSZACIVSA-N 0 0 320.780 3.319 10 5 DGBERN Cn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(=O)C1CCCCC1 ZINC000012512117 431512700 /nfs/dbraw/zinc/51/27/00/431512700.db2.gz BPWSYVDLQPACAI-NXVVXOECSA-N 0 0 319.386 3.156 10 5 DGBERN CC[C@H]1CCCCCN1C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000194435246 288186364 /nfs/dbraw/zinc/18/63/64/288186364.db2.gz JSHSOBZWVYMVML-LBPRGKRZSA-N 0 0 306.362 3.398 10 5 DGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]2CCC[C@@H]21 ZINC000174377688 280158248 /nfs/dbraw/zinc/15/82/48/280158248.db2.gz YFEAVZUZMMDRLW-BZNIZROVSA-N 0 0 313.357 3.481 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117578482 431569838 /nfs/dbraw/zinc/56/98/38/431569838.db2.gz KBHPWLLPVBRWDE-BDJLRTHQSA-N 0 0 312.325 3.406 10 5 DGBERN CC(C)(C)[C@H](O)CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000078670327 431692873 /nfs/dbraw/zinc/69/28/73/431692873.db2.gz GAVVPZNHUKOMLZ-LLVKDONJSA-N 0 0 306.284 3.433 10 5 DGBERN Cc1ccc(CN(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000029270819 431718939 /nfs/dbraw/zinc/71/89/39/431718939.db2.gz WTQDFUGGWLICNV-UHFFFAOYSA-N 0 0 308.721 3.422 10 5 DGBERN O=c1c(Cl)c(Cl)cnn1/C=C/c1cccc([N+](=O)[O-])c1 ZINC000084653238 431832465 /nfs/dbraw/zinc/83/24/65/431832465.db2.gz ZMZBIFHLJMQFOK-SNAWJCMRSA-N 0 0 312.112 3.086 10 5 DGBERN CC[C@@H](NC(=O)NC[C@@H]1CCCS1)c1cccc([N+](=O)[O-])c1 ZINC000125217108 431917890 /nfs/dbraw/zinc/91/78/90/431917890.db2.gz BHXDDUSWCPYMAX-UONOGXRCSA-N 0 0 323.418 3.241 10 5 DGBERN Cc1sc(C(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000045115891 431881538 /nfs/dbraw/zinc/88/15/38/431881538.db2.gz KHRGBLDGWLWQKF-UHFFFAOYSA-N 0 0 302.355 3.163 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccco1)C1CCCC1 ZINC000124174026 431885473 /nfs/dbraw/zinc/88/54/73/431885473.db2.gz BXHOYGLCOLAAGB-UHFFFAOYSA-N 0 0 304.302 3.366 10 5 DGBERN CC[C@H](NC(=O)c1cncc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000090466780 431892252 /nfs/dbraw/zinc/89/22/52/431892252.db2.gz OSFYXQDXXGNVCS-AWEZNQCLSA-N 0 0 303.293 3.010 10 5 DGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(F)cc1Cl ZINC000124398218 431892578 /nfs/dbraw/zinc/89/25/78/431892578.db2.gz LPHAQTIKPOKBBX-SSDOTTSWSA-N 0 0 312.684 3.471 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCc2occc21 ZINC000124398887 431892910 /nfs/dbraw/zinc/89/29/10/431892910.db2.gz UNYUJWYIGUOBMW-AWEZNQCLSA-N 0 0 300.314 3.304 10 5 DGBERN CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124539899 431897208 /nfs/dbraw/zinc/89/72/08/431897208.db2.gz KILATUJARMQHPW-UHFFFAOYSA-N 0 0 320.736 3.307 10 5 DGBERN CC(=O)c1ccc(NC[C@@](C)(O)CCC(C)C)c([N+](=O)[O-])c1 ZINC000097596973 431971739 /nfs/dbraw/zinc/97/17/39/431971739.db2.gz RXBVOHINGKINIK-INIZCTEOSA-N 0 0 308.378 3.397 10 5 DGBERN O=[N+]([O-])c1ccc(CN2CCO[C@H](c3ccsc3)C2)cc1 ZINC000126219298 431945245 /nfs/dbraw/zinc/94/52/45/431945245.db2.gz PKHZPMSQQKKZDH-HNNXBMFYSA-N 0 0 304.371 3.230 10 5 DGBERN O=[N+]([O-])c1ccc(CN2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000126219553 431945484 /nfs/dbraw/zinc/94/54/84/431945484.db2.gz PKHZPMSQQKKZDH-OAHLLOKOSA-N 0 0 304.371 3.230 10 5 DGBERN CC(C)[C@@H](C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050288147 431947537 /nfs/dbraw/zinc/94/75/37/431947537.db2.gz AELMBQOOAINBKH-SNVBAGLBSA-N 0 0 319.386 3.493 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@H]2O)cc1C(F)(F)F ZINC000052006303 431953674 /nfs/dbraw/zinc/95/36/74/431953674.db2.gz LTXWQDAWVMITDH-CMPLNLGQSA-N 0 0 304.268 3.329 10 5 DGBERN CC1(C)CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000128259961 431990202 /nfs/dbraw/zinc/99/02/02/431990202.db2.gz RQFUFSRTWNMMJI-UHFFFAOYSA-N 0 0 306.362 3.059 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)n1 ZINC000191501188 432271237 /nfs/dbraw/zinc/27/12/37/432271237.db2.gz GSLLHCXOYUAMRV-RYUDHWBXSA-N 0 0 322.409 3.146 10 5 DGBERN CCCc1ccccc1NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191527168 432274766 /nfs/dbraw/zinc/27/47/66/432274766.db2.gz WSUBTACECCRPEK-UHFFFAOYSA-N 0 0 302.334 3.016 10 5 DGBERN CSC[C@H]1CCCN1C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000183309611 432282512 /nfs/dbraw/zinc/28/25/12/432282512.db2.gz ZIWUUEVTDDHPLM-HBIYDYFMSA-N 0 0 320.414 3.352 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC2(CC(C)C)CCCC2)n1 ZINC000191663791 432289068 /nfs/dbraw/zinc/28/90/68/432289068.db2.gz JMKPXPDSDIJIHY-UHFFFAOYSA-N 0 0 322.409 3.148 10 5 DGBERN Cc1cnc([C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000184043469 432349041 /nfs/dbraw/zinc/34/90/41/432349041.db2.gz FCGUZKGZQSZZSK-JTQLQIEISA-N 0 0 319.386 3.202 10 5 DGBERN COC(=O)c1ccc(NCc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000191836091 432307577 /nfs/dbraw/zinc/30/75/77/432307577.db2.gz IKLDSXFGCAADMS-UHFFFAOYSA-N 0 0 300.314 3.302 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2ncsc2c1 ZINC000192457840 432376225 /nfs/dbraw/zinc/37/62/25/432376225.db2.gz GEHFLIUXRAAQDH-UHFFFAOYSA-N 0 0 314.326 3.160 10 5 DGBERN CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1nncs1 ZINC000184321952 432380341 /nfs/dbraw/zinc/38/03/41/432380341.db2.gz NUUPLSQMSIWDHE-UHFFFAOYSA-N 0 0 320.374 3.020 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccn(C2CCCC2)n1 ZINC000192702254 432401297 /nfs/dbraw/zinc/40/12/97/432401297.db2.gz VOYBBDMBLGSCJR-UHFFFAOYSA-N 0 0 318.381 3.043 10 5 DGBERN CCOc1cccc(NCCCc2ccccn2)c1[N+](=O)[O-] ZINC000184137878 432359312 /nfs/dbraw/zinc/35/93/12/432359312.db2.gz NMXXLFYPFSWIOL-UHFFFAOYSA-N 0 0 301.346 3.433 10 5 DGBERN Cc1nc(NC(=O)C/C=C\c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000255439528 432411285 /nfs/dbraw/zinc/41/12/85/432411285.db2.gz KYJUFLLIEQUKID-IHWYPQMZSA-N 0 0 315.304 3.479 10 5 DGBERN CC[C@@H](N[C@@H](C)c1nc(C)cc(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000192762857 432411606 /nfs/dbraw/zinc/41/16/06/432411606.db2.gz MIEFSYOYHFZIBM-SMDDNHRTSA-N 0 0 316.361 3.201 10 5 DGBERN O=C(c1csc([N+](=O)[O-])c1)N1Cc2ccccc2C2(CC2)C1 ZINC000184639296 432416529 /nfs/dbraw/zinc/41/65/29/432416529.db2.gz JPGHRDQYWSJWOW-UHFFFAOYSA-N 0 0 314.366 3.344 10 5 DGBERN CC[C@@H](NC(=O)N[C@@H](C)CSC)c1cccc([N+](=O)[O-])c1 ZINC000176265736 432505765 /nfs/dbraw/zinc/50/57/65/432505765.db2.gz KUUYGKQPVXRAAW-GXFFZTMASA-N 0 0 311.407 3.097 10 5 DGBERN CCc1noc(C)c1NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000155403564 432552193 /nfs/dbraw/zinc/55/21/93/432552193.db2.gz JKWZFYPOPWWGQA-UHFFFAOYSA-N 0 0 304.306 3.406 10 5 DGBERN C[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000155431756 432554329 /nfs/dbraw/zinc/55/43/29/432554329.db2.gz ZDACYWAPIVKVNG-GFCCVEGCSA-N 0 0 320.389 3.009 10 5 DGBERN Nc1c(C(=O)N2CCC[C@]3(CC=CCC3)C2)cccc1[N+](=O)[O-] ZINC000176703033 432545193 /nfs/dbraw/zinc/54/51/93/432545193.db2.gz GRKDJABIYLYYDE-QGZVFWFLSA-N 0 0 315.373 3.140 10 5 DGBERN CC(C)(C(=O)NCc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000195294695 432616439 /nfs/dbraw/zinc/61/64/39/432616439.db2.gz CBIBYFKVPRGXOY-UHFFFAOYSA-N 0 0 316.332 3.328 10 5 DGBERN Cc1sc(C(=O)Nc2cnn([C@H](C)C3CC3)c2)cc1[N+](=O)[O-] ZINC000186373059 432587683 /nfs/dbraw/zinc/58/76/83/432587683.db2.gz OSWSGIMODUPZNE-MRVPVSSYSA-N 0 0 320.374 3.385 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(C2CCOCC2)no1 ZINC000273372699 432590988 /nfs/dbraw/zinc/59/09/88/432590988.db2.gz DANQUGDLXDMXDO-KHPPLWFESA-N 0 0 315.329 3.432 10 5 DGBERN O=[N+]([O-])c1cn(Cc2cc(F)cc3cccnc32)nc1C1CC1 ZINC000195048570 432597975 /nfs/dbraw/zinc/59/79/75/432597975.db2.gz VUPMVYCXWQHDAG-UHFFFAOYSA-N 0 0 312.304 3.404 10 5 DGBERN Cc1ccc([C@H]2CN(Cc3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000158694861 432655026 /nfs/dbraw/zinc/65/50/26/432655026.db2.gz UXGPTNRMJCFWOJ-MRXNPFEDSA-N 0 0 302.330 3.070 10 5 DGBERN CC[C@@H](NC(=O)c1cc(C(C)C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000177791949 432661948 /nfs/dbraw/zinc/66/19/48/432661948.db2.gz PDCHUTZIJUBNLM-CYBMUJFWSA-N 0 0 316.361 3.322 10 5 DGBERN Cc1ccc([C@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CCO2)o1 ZINC000159014148 432665866 /nfs/dbraw/zinc/66/58/66/432665866.db2.gz LGMWLLJFGBAXLY-QGZVFWFLSA-N 0 0 316.357 3.112 10 5 DGBERN COc1cc(N[C@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000160419903 432719742 /nfs/dbraw/zinc/71/97/42/432719742.db2.gz JGLGDWHGFQAGJF-HZMBPMFUSA-N 0 0 310.325 3.112 10 5 DGBERN Cc1nc(N2CCc3[nH]c4ccccc4c3C2)ccc1[N+](=O)[O-] ZINC000178010835 432684863 /nfs/dbraw/zinc/68/48/63/432684863.db2.gz FNRVWTHUAVYXFA-UHFFFAOYSA-N 0 0 308.341 3.342 10 5 DGBERN CCCC(=O)N[C@@H]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245201311 432824608 /nfs/dbraw/zinc/82/46/08/432824608.db2.gz PWJVHMJNFXCKKB-UKRRQHHQSA-N 0 0 319.405 3.037 10 5 DGBERN COc1ccccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000161558128 432786329 /nfs/dbraw/zinc/78/63/29/432786329.db2.gz BSGIQLSONGUAGD-UHFFFAOYSA-N 0 0 311.297 3.337 10 5 DGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2ccccc21 ZINC000161568308 432786684 /nfs/dbraw/zinc/78/66/84/432786684.db2.gz FPIJFRBRQPLDHF-UHFFFAOYSA-N 0 0 307.309 3.279 10 5 DGBERN COc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1F ZINC000189464052 432787986 /nfs/dbraw/zinc/78/79/86/432787986.db2.gz INCHKMRSOHMSBP-UHFFFAOYSA-N 0 0 310.306 3.365 10 5 DGBERN Cc1cc(NC(=O)CC(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000161827724 432800002 /nfs/dbraw/zinc/80/00/02/432800002.db2.gz FKPNFHAXWIFRAZ-UHFFFAOYSA-N 0 0 313.235 3.342 10 5 DGBERN CC(=O)[C@H](C)CCCCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000279491549 432975138 /nfs/dbraw/zinc/97/51/38/432975138.db2.gz PGUNRNBYPVWQMP-CYBMUJFWSA-N 0 0 320.389 3.039 10 5 DGBERN CC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000341281784 433016125 /nfs/dbraw/zinc/01/61/25/433016125.db2.gz IRPMQSPSTKUHHX-SECBINFHSA-N 0 0 318.354 3.350 10 5 DGBERN C[C@@H](C(=O)N1CCCC12CCC2)c1ccc([N+](=O)[O-])cc1F ZINC000373064114 433083095 /nfs/dbraw/zinc/08/30/95/433083095.db2.gz SZNCWTJUALFESX-LLVKDONJSA-N 0 0 306.337 3.383 10 5 DGBERN CC(C)(C)CCCCNc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301157758 433436453 /nfs/dbraw/zinc/43/64/53/433436453.db2.gz AVNHFQCIFWLKPQ-UHFFFAOYSA-N 0 0 318.377 3.231 10 5 DGBERN C[C@]12CCN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000292069533 433448202 /nfs/dbraw/zinc/44/82/02/433448202.db2.gz XBVARNFBFBOZSU-KOLCDFICSA-N 0 0 303.696 3.125 10 5 DGBERN O=[N+]([O-])c1c(F)cccc1N[C@H]1CCN(c2ccccc2)C1 ZINC000301211954 433454522 /nfs/dbraw/zinc/45/45/22/433454522.db2.gz XJZMPTRLKQDCIR-LBPRGKRZSA-N 0 0 301.321 3.425 10 5 DGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000292098523 433458899 /nfs/dbraw/zinc/45/88/99/433458899.db2.gz ZBQQZLRYNRDTHY-UONOGXRCSA-N 0 0 310.300 3.279 10 5 DGBERN Cc1cccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2C(N)=O)c1C ZINC000301272993 433479796 /nfs/dbraw/zinc/47/97/96/433479796.db2.gz ICZJUKDHIFIWCX-GFCCVEGCSA-N 0 0 313.357 3.484 10 5 DGBERN CC[S@](=O)[C@H]1CCC[C@H](Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000301510909 433587598 /nfs/dbraw/zinc/58/75/98/433587598.db2.gz ARESFMUSOBVGRT-BYVOGVQKSA-N 0 0 310.419 3.395 10 5 DGBERN Cc1nc(N2CC3(CCCC3)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000302705773 293292606 /nfs/dbraw/zinc/29/26/06/293292606.db2.gz YIJXDLNCYIVJKW-UHFFFAOYSA-N 0 0 305.378 3.226 10 5 DGBERN CC(=O)c1ccc(NCc2nc(C)sc2C)c([N+](=O)[O-])c1 ZINC000301832741 433749774 /nfs/dbraw/zinc/74/97/74/433749774.db2.gz JIQXFCVIOKORJJ-UHFFFAOYSA-N 0 0 305.359 3.483 10 5 DGBERN CCC[C@@]1(COC)CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000302808186 433869664 /nfs/dbraw/zinc/86/96/64/433869664.db2.gz GHOWVEFDBJCWIP-AWEZNQCLSA-N 0 0 324.406 3.090 10 5 DGBERN COC(=O)c1cc(NCC2(SC)CCC2)cc(C)c1[N+](=O)[O-] ZINC000302843646 433881615 /nfs/dbraw/zinc/88/16/15/433881615.db2.gz FGGRLDRXPFJZSB-UHFFFAOYSA-N 0 0 324.402 3.387 10 5 DGBERN Cc1nc(N2CCC[C@@H]2Cc2cccc(F)c2)ncc1[N+](=O)[O-] ZINC000450264639 434067644 /nfs/dbraw/zinc/06/76/44/434067644.db2.gz USURMRXNUHNKBS-CQSZACIVSA-N 0 0 316.336 3.044 10 5 DGBERN CC(C)(C)OC(=O)N1CCC(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000309950533 434102417 /nfs/dbraw/zinc/10/24/17/434102417.db2.gz NDECZLLXHHGXCS-UHFFFAOYSA-N 0 0 307.350 3.104 10 5 DGBERN COCC[C@@H](COC)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000312829204 434117794 /nfs/dbraw/zinc/11/77/94/434117794.db2.gz NOUPEOXVAVYKFT-QMMMGPOBSA-N 0 0 323.176 3.365 10 5 DGBERN C[C@@H](O)[C@@](C)(CNc1ccc([N+](=O)[O-])nc1)Cc1ccccc1 ZINC000357670272 434122381 /nfs/dbraw/zinc/12/23/81/434122381.db2.gz FDQNSFHZAAEACV-CXAGYDPISA-N 0 0 315.373 3.032 10 5 DGBERN Cc1nccc(CSCc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000507135774 294283834 /nfs/dbraw/zinc/28/38/34/294283834.db2.gz VHEAVVWNOLOJAT-UHFFFAOYSA-N 0 0 311.313 3.405 10 5 DGBERN Cc1cc(C[C@@H](C)Nc2nccc3c2cccc3[N+](=O)[O-])n[nH]1 ZINC000450398147 434153955 /nfs/dbraw/zinc/15/39/55/434153955.db2.gz WXXLPSZPRLINHS-SNVBAGLBSA-N 0 0 311.345 3.218 10 5 DGBERN CO[C@H]1CC[C@@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000450470524 434208118 /nfs/dbraw/zinc/20/81/18/434208118.db2.gz ANRMXJFCBNEVNI-YPMHNXCESA-N 0 0 319.386 3.698 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000408039083 434539178 /nfs/dbraw/zinc/53/91/78/434539178.db2.gz RYGIUAJCACOJQR-MGPQQGTHSA-N 0 0 317.389 3.387 10 5 DGBERN Cc1cc(N2C[C@H](C)O[C@@H](C)[C@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000408440755 434575833 /nfs/dbraw/zinc/57/58/33/434575833.db2.gz AJNVKNKFROODML-XQQFMLRXSA-N 0 0 315.373 3.454 10 5 DGBERN C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000408467523 434578077 /nfs/dbraw/zinc/57/80/77/434578077.db2.gz LHPWSJXSUOIJGJ-BJJXKVORSA-N 0 0 323.368 3.039 10 5 DGBERN CC(=O)c1ccc2c(c1)CN(Cc1csc([N+](=O)[O-])c1)C2 ZINC000411930906 434844765 /nfs/dbraw/zinc/84/47/65/434844765.db2.gz ABNSNKQPNVWLFM-UHFFFAOYSA-N 0 0 302.355 3.375 10 5 DGBERN C[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000553997049 434908953 /nfs/dbraw/zinc/90/89/53/434908953.db2.gz QRDXOVYXQQQFMW-AWEZNQCLSA-N 0 0 312.369 3.132 10 5 DGBERN CC(=O)c1cc(OC(F)(F)F)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575666016 435040590 /nfs/dbraw/zinc/04/05/90/435040590.db2.gz GIIWGZPJUAEOOW-UHFFFAOYSA-N 0 0 315.150 3.297 10 5 DGBERN CC(=O)c1c(OC(F)(F)F)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575665069 435040773 /nfs/dbraw/zinc/04/07/73/435040773.db2.gz AZBXADWRUJZRCP-UHFFFAOYSA-N 0 0 315.150 3.297 10 5 DGBERN COc1cc(OC(F)F)c([N+](=O)[O-])cc1OC(F)(F)F ZINC000575669086 435041914 /nfs/dbraw/zinc/04/19/14/435041914.db2.gz YGTGYYMWJILOJW-UHFFFAOYSA-N 0 0 303.139 3.103 10 5 DGBERN COc1c(OC(F)F)cc([N+](=O)[O-])cc1OC(F)(F)F ZINC000575667326 435041928 /nfs/dbraw/zinc/04/19/28/435041928.db2.gz MJGLKWILLNUYMX-UHFFFAOYSA-N 0 0 303.139 3.103 10 5 DGBERN CCOC(=O)Cc1cc(CC)c([N+](=O)[O-])cc1Br ZINC000575698879 435047015 /nfs/dbraw/zinc/04/70/15/435047015.db2.gz CJAYKRBMDIWQBP-UHFFFAOYSA-N 0 0 316.151 3.025 10 5 DGBERN CCOC(=O)c1cc([N+](=O)[O-])c(Cl)cc1Br ZINC000575699093 435047125 /nfs/dbraw/zinc/04/71/25/435047125.db2.gz CCOLQQYSGKENKM-UHFFFAOYSA-N 0 0 308.515 3.187 10 5 DGBERN O=[N+]([O-])c1c(NCCOCC2CCC2)ccc2ncccc21 ZINC000579660241 435170435 /nfs/dbraw/zinc/17/04/35/435170435.db2.gz ZJLWSAWRPLMKBP-UHFFFAOYSA-N 0 0 301.346 3.372 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)n1 ZINC000408226290 301202909 /nfs/dbraw/zinc/20/29/09/301202909.db2.gz MWWPNCAPKLTJCC-ZFWWWQNUSA-N 0 0 317.389 3.145 10 5 DGBERN Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc([N+](=O)[O-])cc1C)N2 ZINC000183951419 301876375 /nfs/dbraw/zinc/87/63/75/301876375.db2.gz HTSNSOCNXGIMLU-INIZCTEOSA-N 0 0 311.341 3.408 10 5 DGBERN Cc1cnc(N2CCO[C@@H](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000408198381 302351735 /nfs/dbraw/zinc/35/17/35/302351735.db2.gz MTRPEMCZSSOIJQ-OAHLLOKOSA-N 0 0 305.378 3.084 10 5 DGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@]2(CCCOC2)C1 ZINC000408402530 304799988 /nfs/dbraw/zinc/79/99/88/304799988.db2.gz OEXCPCLGZRKREV-AWEZNQCLSA-N 0 0 311.769 3.040 10 5 DGBERN C[C@H](c1cccc([N+](=O)[O-])c1)n1nc(-c2cccs2)oc1=O ZINC000179724468 312814485 /nfs/dbraw/zinc/81/44/85/312814485.db2.gz ASTMJDZWQSQSAS-SECBINFHSA-N 0 0 317.326 3.082 10 5 DGBERN CN(C[C@H]1CC=CCC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000542259805 314065438 /nfs/dbraw/zinc/06/54/38/314065438.db2.gz PZVIOZVZQFWZDC-HNNXBMFYSA-N 0 0 302.374 3.342 10 5 DGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC1CC1 ZINC000545908874 314274624 /nfs/dbraw/zinc/27/46/24/314274624.db2.gz KXNVDDNETNSJTM-HNNXBMFYSA-N 0 0 304.390 3.470 10 5 DGBERN COC(=O)c1cc(C)nc(N(C)[C@H]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000553227670 314636266 /nfs/dbraw/zinc/63/62/66/314636266.db2.gz UQIZBHLOUIWGSI-NSHDSACASA-N 0 0 321.377 3.100 10 5 DGBERN CC[C@@H]1CCC[C@@H]1Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000571293509 315711238 /nfs/dbraw/zinc/71/12/38/315711238.db2.gz PAWHGJXCDPFZQO-PWSUYJOCSA-N 0 0 307.350 3.075 10 5 DGBERN Cc1nc(CN2CCc3ccc([N+](=O)[O-])cc32)nc2ccccc12 ZINC000182792881 323312951 /nfs/dbraw/zinc/31/29/51/323312951.db2.gz UHLCJHIHJGOWHH-UHFFFAOYSA-N 0 0 320.352 3.409 10 5 DGBERN Cc1cccc(OCC(=O)Nc2cc(F)cc(F)c2)c1[N+](=O)[O-] ZINC000192798533 323459114 /nfs/dbraw/zinc/45/91/14/323459114.db2.gz JYXKACOMXPYLCH-UHFFFAOYSA-N 0 0 322.267 3.199 10 5 DGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(C)cc1 ZINC000194853617 323481925 /nfs/dbraw/zinc/48/19/25/323481925.db2.gz MFMSAHZLBGJDHV-INIZCTEOSA-N 0 0 313.357 3.488 10 5 DGBERN COC(=O)c1cc(N2CCCC[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000301792216 533849252 /nfs/dbraw/zinc/84/92/52/533849252.db2.gz RGDFWEYQYXESIX-GFCCVEGCSA-N 0 0 324.402 3.103 10 5 DGBERN C[C@@H](CNc1cc(CO)ccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000302073035 534089565 /nfs/dbraw/zinc/08/95/65/534089565.db2.gz WMIRKECUNSJWQL-NSHDSACASA-N 0 0 320.320 3.106 10 5 DGBERN COc1cc(NCCC[C@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000154522172 522743541 /nfs/dbraw/zinc/74/35/41/522743541.db2.gz ROZCLCBMEXVILU-DOMZBBRYSA-N 0 0 308.378 3.347 10 5 DGBERN CCc1sc([C@H](C)Nc2ncc([N+](=O)[O-])c(N)n2)cc1C ZINC000157771766 523078857 /nfs/dbraw/zinc/07/88/57/523078857.db2.gz WWZSTLRMPJNNQX-QMMMGPOBSA-N 0 0 307.379 3.072 10 5 DGBERN C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])c1cn[nH]c1 ZINC000229871706 525646461 /nfs/dbraw/zinc/64/64/61/525646461.db2.gz HFOVSQDMLGOPGO-ZETCQYMHSA-N 0 0 311.139 3.254 10 5 DGBERN O=[N+]([O-])c1ccc(CO)cc1N1CC[C@H](Cc2ccccc2)C1 ZINC000302069292 534881764 /nfs/dbraw/zinc/88/17/64/534881764.db2.gz VCUPQKDWFYJBHV-OAHLLOKOSA-N 0 0 312.369 3.156 10 5 DGBERN C[C@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000155431647 526019603 /nfs/dbraw/zinc/01/96/03/526019603.db2.gz ZDACYWAPIVKVNG-LBPRGKRZSA-N 0 0 320.389 3.009 10 5 DGBERN CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302057737 526684264 /nfs/dbraw/zinc/68/42/64/526684264.db2.gz RAINEDIBHLXYJY-CZUORRHYSA-N 0 0 322.405 3.340 10 5 DGBERN CC(=O)c1ccc(N[C@H](CO)c2ccsc2)c([N+](=O)[O-])c1 ZINC000302261945 527320298 /nfs/dbraw/zinc/32/02/98/527320298.db2.gz PVIMMOVSTNNQFJ-CYBMUJFWSA-N 0 0 306.343 3.004 10 5 DGBERN CC(=O)c1cccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000429251325 527350297 /nfs/dbraw/zinc/35/02/97/527350297.db2.gz IFVJCYODIREFRH-LLVKDONJSA-N 0 0 324.336 3.389 10 5 DGBERN CC1(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000175077210 527940073 /nfs/dbraw/zinc/94/00/73/527940073.db2.gz YLVROESVRUASNK-UHFFFAOYSA-N 0 0 305.378 3.093 10 5 DGBERN O=[N+]([O-])c1ccccc1NCCNc1cc(F)ccc1[N+](=O)[O-] ZINC000302790855 546438251 /nfs/dbraw/zinc/43/82/51/546438251.db2.gz AGGYRUSRKRKIKE-UHFFFAOYSA-N 0 0 320.280 3.166 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCC3(C2)CCCCC3)c2nonc21 ZINC000742417424 574998873 /nfs/dbraw/zinc/99/88/73/574998873.db2.gz QJHSUJAHDKQNSL-UHFFFAOYSA-N 0 0 302.334 3.292 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(OC)cc2)c1 ZINC000204569690 576156422 /nfs/dbraw/zinc/15/64/22/576156422.db2.gz VYHIOFIZRDEHTI-UHFFFAOYSA-N 0 0 302.286 3.134 10 5 DGBERN CCc1cccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000154131676 620642565 /nfs/dbraw/zinc/64/25/65/620642565.db2.gz OKRASHWFAROQJH-UHFFFAOYSA-N 0 0 302.305 3.478 10 5 DGBERN Cc1cc(C)cc([C@@H](O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000154194559 620646384 /nfs/dbraw/zinc/64/63/84/620646384.db2.gz BAJCDDHHMOLYEY-INIZCTEOSA-N 0 0 305.305 3.463 10 5 DGBERN Cc1cc(C)cc([C@H](O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000154194443 620646546 /nfs/dbraw/zinc/64/65/46/620646546.db2.gz BAJCDDHHMOLYEY-MRXNPFEDSA-N 0 0 305.305 3.463 10 5 DGBERN COc1ccc(OC[C@H](O)c2cc(C)cc(C)c2)c([N+](=O)[O-])c1 ZINC000153157221 620535591 /nfs/dbraw/zinc/53/55/91/620535591.db2.gz TWWDZRVRIBNKKG-INIZCTEOSA-N 0 0 317.341 3.333 10 5 DGBERN O=C(C[C@H]1CCOc2ccccc21)Oc1cccc([N+](=O)[O-])c1 ZINC000117563099 621415930 /nfs/dbraw/zinc/41/59/30/621415930.db2.gz VLXJYLHXPIXRKK-GFCCVEGCSA-N 0 0 313.309 3.457 10 5 DGBERN CCN1CCCC[C@H]1C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000124801168 623236696 /nfs/dbraw/zinc/23/66/96/623236696.db2.gz BTNFKGWZJFFALV-WFASDCNBSA-N 0 0 306.362 3.073 10 5 DGBERN CC[C@@H]1CCCC[C@H]1OC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000127922813 624636118 /nfs/dbraw/zinc/63/61/18/624636118.db2.gz DEGTVGJBXAMDMQ-CHWSQXEVSA-N 0 0 309.366 3.002 10 5 DGBERN Cc1cccc(NCCCNC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000218849943 627127311 /nfs/dbraw/zinc/12/73/11/627127311.db2.gz QIHCAJFXJFUASF-UHFFFAOYSA-N 0 0 309.366 3.230 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCCCOC1CCCC1 ZINC000102124352 629951524 /nfs/dbraw/zinc/95/15/24/629951524.db2.gz YWFWVMDZVWPGGP-UHFFFAOYSA-N 0 0 307.346 3.409 10 5 DGBERN Cc1nn(CCC(=O)OC2CCCCCC2)c(C)c1[N+](=O)[O-] ZINC000102213836 630005557 /nfs/dbraw/zinc/00/55/57/630005557.db2.gz UJEJKVGBNKKUEE-UHFFFAOYSA-N 0 0 309.366 3.064 10 5 DGBERN CC1(NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC(F)(F)C1 ZINC000720961409 658270318 /nfs/dbraw/zinc/27/03/18/658270318.db2.gz KKQBLMZDEBVNQF-UHFFFAOYSA-N 0 0 304.680 3.166 10 5 DGBERN COc1ccc(OC(=O)CCc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000073077281 660238940 /nfs/dbraw/zinc/23/89/40/660238940.db2.gz YMOUSIGCSKDBDG-UHFFFAOYSA-N 0 0 315.325 3.450 10 5 DGBERN O=C(NCC[C@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1Cl ZINC000701996849 660696670 /nfs/dbraw/zinc/69/66/70/660696670.db2.gz XVXVWICFPIWNCC-ZETCQYMHSA-N 0 0 304.680 3.023 10 5 DGBERN O=C(NCC[C@@H]1CCSC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000704850189 660822471 /nfs/dbraw/zinc/82/24/71/660822471.db2.gz VTQKSGPZAZIGOL-SECBINFHSA-N 0 0 314.794 3.121 10 5 DGBERN O=C(NCC[C@H]1CCSC1)c1cccc([N+](=O)[O-])c1Cl ZINC000704850046 660822497 /nfs/dbraw/zinc/82/24/97/660822497.db2.gz UTIAIYWWWPDWJL-VIFPVBQESA-N 0 0 314.794 3.121 10 5 DGBERN O=[N+]([O-])c1cc2c(ncnc2NCC[C@@H]2CCSC2)s1 ZINC000704875707 660823127 /nfs/dbraw/zinc/82/31/27/660823127.db2.gz UESPVDIUSHDHJO-MRVPVSSYSA-N 0 0 310.404 3.155 10 5 DGBERN C/C(=C/c1ccc(F)cc1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000255295543 655688715 /nfs/dbraw/zinc/68/87/15/655688715.db2.gz FGIIVPHICPWMKJ-BENRWUELSA-N 0 0 314.316 3.454 10 5 DGBERN COCC1CC(Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000713957147 661194875 /nfs/dbraw/zinc/19/48/75/661194875.db2.gz YNZGHSWGPGKFHI-UHFFFAOYSA-N 0 0 315.167 3.194 10 5 DGBERN COCC1CC(Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000713956949 661195242 /nfs/dbraw/zinc/19/52/42/661195242.db2.gz WNYXAABZUSHUNK-UHFFFAOYSA-N 0 0 315.167 3.194 10 5 DGBERN Cc1ccc([C@@H](C)OC(=O)c2ccnc(F)c2)cc1[N+](=O)[O-] ZINC000176945818 655880594 /nfs/dbraw/zinc/88/05/94/655880594.db2.gz JGQDSCNFTKNWNG-SNVBAGLBSA-N 0 0 304.277 3.355 10 5 DGBERN C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC1 ZINC000066547215 655954402 /nfs/dbraw/zinc/95/44/02/655954402.db2.gz MGOLWTZGSTXUMM-ZDUSSCGKSA-N 0 0 321.376 3.496 10 5 DGBERN O=C(Oc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CC1(Cl)Cl ZINC000124805256 656254565 /nfs/dbraw/zinc/25/45/65/656254565.db2.gz KPPHZDGEMLIVSD-LURJTMIESA-N 0 0 310.520 3.347 10 5 DGBERN Cc1noc(C)c1CCC(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000066877569 656300404 /nfs/dbraw/zinc/30/04/04/656300404.db2.gz RYQDQJYKRUITSE-LLVKDONJSA-N 0 0 318.329 3.437 10 5 DGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1nccs1 ZINC000078004383 657079017 /nfs/dbraw/zinc/07/90/17/657079017.db2.gz ZHIWTYSPQHPCCO-LLVKDONJSA-N 0 0 309.322 3.072 10 5 DGBERN O=[N+]([O-])c1ccc(OS(=O)(=O)/C=C/c2ccccc2)cc1F ZINC000067433343 657382064 /nfs/dbraw/zinc/38/20/64/657382064.db2.gz DNFVMYJKJGGAML-CMDGGOBGSA-N 0 0 323.301 3.113 10 5 DGBERN Cc1c([N+](=O)[O-])cc(C(=O)NCCC2CCCC2)cc1[N+](=O)[O-] ZINC000044705285 658923720 /nfs/dbraw/zinc/92/37/20/658923720.db2.gz UUYSXSDTENBXND-UHFFFAOYSA-N 0 0 321.333 3.122 10 5 DGBERN Cc1sc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000045153983 658948708 /nfs/dbraw/zinc/94/87/08/658948708.db2.gz JLNPZWNTCLHXBA-UHFFFAOYSA-N 0 0 307.287 3.125 10 5 DGBERN CCOc1ccc(C(=O)OCCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000157372498 659050673 /nfs/dbraw/zinc/05/06/73/659050673.db2.gz QBWMLCPKESZSPM-UHFFFAOYSA-N 0 0 321.251 3.493 10 5 DGBERN Cc1c(C(=O)NC[C@@H](C)C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000172445146 659337686 /nfs/dbraw/zinc/33/76/86/659337686.db2.gz QFOXONVKNXGYJR-SECBINFHSA-N 0 0 323.349 3.142 10 5 DGBERN C[C@H](CCNc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000194980188 659905338 /nfs/dbraw/zinc/90/53/38/659905338.db2.gz GYNHXTBEKMZKLO-LLVKDONJSA-N 0 0 309.366 3.310 10 5 DGBERN Cc1c(OC(=O)c2ncccc2OC(C)C)cccc1[N+](=O)[O-] ZINC000175651003 659926576 /nfs/dbraw/zinc/92/65/76/659926576.db2.gz HSZCCHSPBKUQKN-UHFFFAOYSA-N 0 0 316.313 3.305 10 5 DGBERN O=[N+]([O-])c1ccc(SC[C@H](O)c2ccccc2Cl)nc1 ZINC000159180216 661883804 /nfs/dbraw/zinc/88/38/04/661883804.db2.gz BUPSMTRMSSCXQG-LBPRGKRZSA-N 0 0 310.762 3.469 10 5 DGBERN CC(C)Oc1cccnc1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000079384177 662108678 /nfs/dbraw/zinc/10/86/78/662108678.db2.gz SRXHMAFFSHXBEX-UHFFFAOYSA-N 0 0 316.313 3.134 10 5 DGBERN C[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000194557922 662168864 /nfs/dbraw/zinc/16/88/64/662168864.db2.gz LZDQHXHEMBTFKX-SNVBAGLBSA-N 0 0 307.327 3.340 10 5 DGBERN COc1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1F ZINC000090426867 662263082 /nfs/dbraw/zinc/26/30/82/662263082.db2.gz GSRMVMZAHOIUOW-UHFFFAOYSA-N 0 0 305.261 3.100 10 5 DGBERN COc1cccc(C(=O)Oc2ccc(C)cc2[N+](=O)[O-])c1F ZINC000090447099 662263760 /nfs/dbraw/zinc/26/37/60/662263760.db2.gz QSBOCVULCGSKNM-UHFFFAOYSA-N 0 0 305.261 3.270 10 5 DGBERN Nc1c(Cl)cc(C(=O)NCC2CCCCC2)cc1[N+](=O)[O-] ZINC000050701958 1194611806 /nfs/dbraw/zinc/61/18/06/1194611806.db2.gz GFXASLPVZSTEQD-UHFFFAOYSA-N 0 0 311.769 3.141 10 5 DGBERN C[C@H]1CCC[C@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000050701859 1194612099 /nfs/dbraw/zinc/61/20/99/1194612099.db2.gz OTAPYTMDQVWBNX-WPRPVWTQSA-N 0 0 311.769 3.139 10 5 DGBERN C[C@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C1CCCC1 ZINC000070309355 1195861415 /nfs/dbraw/zinc/86/14/15/1195861415.db2.gz KCUAVMGOHWIFIC-QMMMGPOBSA-N 0 0 311.769 3.139 10 5 DGBERN C[C@@H](Cc1ccsc1)N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000081402826 1197214983 /nfs/dbraw/zinc/21/49/83/1197214983.db2.gz CJISFFIDGFWGSJ-NSHDSACASA-N 0 0 304.371 3.360 10 5 DGBERN CC(C)CCCCNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000096866963 1199040501 /nfs/dbraw/zinc/04/05/01/1199040501.db2.gz NEPWBLXPWSQLBF-UHFFFAOYSA-N 0 0 300.305 3.429 10 5 DGBERN O=[N+]([O-])c1ccc(Cl)cc1OCc1cnc(Cl)cn1 ZINC000231290480 1202599200 /nfs/dbraw/zinc/59/92/00/1202599200.db2.gz AAWRPJHPBXDFLJ-UHFFFAOYSA-N 0 0 300.101 3.271 10 5 DGBERN O=C([O-])CC[N@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000692446214 976482922 /nfs/dbraw/zinc/48/29/22/976482922.db2.gz RPXOGFJWMLCOQS-UHFFFAOYSA-N 0 0 314.341 3.072 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccccc1 ZINC000588436152 1082268400 /nfs/dbraw/zinc/26/84/00/1082268400.db2.gz FVWLZXCJHBOVDD-BUHFOSPRSA-N 0 0 310.353 3.357 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccsc1 ZINC000588436721 1082270037 /nfs/dbraw/zinc/27/00/37/1082270037.db2.gz CTCUWJWBOZCVTQ-ZRDIBKRKSA-N 0 0 316.382 3.419 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnc(C2CC2)nc1 ZINC000588438414 1082283418 /nfs/dbraw/zinc/28/34/18/1082283418.db2.gz DNHJYODFDQWTRZ-FLIBITNWSA-N 0 0 324.340 3.304 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(C)CCCS1 ZINC000588440312 1082284819 /nfs/dbraw/zinc/28/48/19/1082284819.db2.gz CBGFETIKAMOIMA-UILAEWCASA-N 0 0 320.414 3.400 10 5 DGBERN CC[C@H](NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000588440999 1082285113 /nfs/dbraw/zinc/28/51/13/1082285113.db2.gz ITOAXIPZOMNOJH-KNBCMTEUSA-N 0 0 318.373 3.072 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCCCOC(C)C ZINC000588445275 1082290321 /nfs/dbraw/zinc/29/03/21/1082290321.db2.gz YKWRAIGZAPYDJK-QBFSEMIESA-N 0 0 307.346 3.356 10 5 DGBERN CCC[C@@H]1CN(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000588447505 1082316656 /nfs/dbraw/zinc/31/66/56/1082316656.db2.gz ZWHPPCCMVAXPCM-DVFVSVACSA-N 0 0 318.373 3.026 10 5 DGBERN CCOC[C@H](NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000588573777 1082687213 /nfs/dbraw/zinc/68/72/13/1082687213.db2.gz PATILZPXWVQFIN-DDKJEQMHSA-N 0 0 320.389 3.175 10 5 DGBERN C[C@@H](Cc1ccsc1)N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000175093857 1086136993 /nfs/dbraw/zinc/13/69/93/1086136993.db2.gz DRSXGOLDMISBPR-LBPRGKRZSA-N 0 0 318.398 3.288 10 5 DGBERN O=[N+]([O-])c1ccc(CN2CCC=C(Br)C2)c(F)c1 ZINC000404411692 1094255912 /nfs/dbraw/zinc/25/59/12/1094255912.db2.gz WFDGHCHPEHEOEV-UHFFFAOYSA-N 0 0 315.142 3.218 10 5 DGBERN C[C@H](Cc1ccsc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000081402707 1101703025 /nfs/dbraw/zinc/70/30/25/1101703025.db2.gz DURUHJMWBTUYTO-SNVBAGLBSA-N 0 0 322.361 3.499 10 5 DGBERN COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1 ZINC000008072602 190630340 /nfs/dbraw/zinc/63/03/40/190630340.db2.gz WKINTOWJWREMHF-LLVKDONJSA-N 0 0 316.313 3.009 10 5 DGBERN CC[C@@H](NCc1noc(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000181527348 199312274 /nfs/dbraw/zinc/31/22/74/199312274.db2.gz NBYMWEGDGLVXCB-CYBMUJFWSA-N 0 0 302.334 3.096 10 5 DGBERN CCCCO[C@@H](C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103374733 185448719 /nfs/dbraw/zinc/44/87/19/185448719.db2.gz QGQAUKDKLPTMDJ-NEPJUHHUSA-N 0 0 306.362 3.078 10 5 DGBERN CN(c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000301362175 530035264 /nfs/dbraw/zinc/03/52/64/530035264.db2.gz PGJMCUWDMKABGS-HONMWMINSA-N 0 0 310.781 3.498 10 5 DGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccs2)c1 ZINC000145716879 186038169 /nfs/dbraw/zinc/03/81/69/186038169.db2.gz ZMCBVLRFSXDIHQ-VIFPVBQESA-N 0 0 306.343 3.156 10 5 DGBERN Cc1ccc(-c2nnc(COc3cccc([N+](=O)[O-])c3)[nH]2)cc1 ZINC000072236781 191079994 /nfs/dbraw/zinc/07/99/94/191079994.db2.gz HMUPTOLBHFGQHK-UHFFFAOYSA-N 0 0 310.313 3.267 10 5 DGBERN COc1ccccc1[C@@H](O)CNc1ccc([N+](=O)[O-])cc1C ZINC000175010351 198415750 /nfs/dbraw/zinc/41/57/50/198415750.db2.gz NZCVWESAZYZNAM-HNNXBMFYSA-N 0 0 302.330 3.057 10 5 DGBERN CCOc1ccc(C(=O)N2C[C@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000075292082 191457493 /nfs/dbraw/zinc/45/74/93/191457493.db2.gz CSDWJGPNKCAJHO-VXGBXAGGSA-N 0 0 306.362 3.254 10 5 DGBERN CC(=O)Nc1c(C(=O)c2ccccc2)cc(Cl)cc1[N+](=O)[O-] ZINC000005283549 181226617 /nfs/dbraw/zinc/22/66/17/181226617.db2.gz DXIBJMMKYRSQKY-UHFFFAOYSA-N 0 0 318.716 3.438 10 5 DGBERN COc1ccc(CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000005526978 181253934 /nfs/dbraw/zinc/25/39/34/181253934.db2.gz WAJOVHRBMYAQCD-UHFFFAOYSA-N 0 0 300.314 3.175 10 5 DGBERN COCCC(C)(C)CNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184052313 199666821 /nfs/dbraw/zinc/66/68/21/199666821.db2.gz SQHNLGHLUDCGJA-UHFFFAOYSA-N 0 0 300.330 3.217 10 5 DGBERN O=C1OC[C@@H]2Cc3ccccc3[C@@H](c3ccc([N+](=O)[O-])cc3)N12 ZINC000005776568 181283063 /nfs/dbraw/zinc/28/30/63/181283063.db2.gz YUTJGJXHWJKVNR-GOEBONIOSA-N 0 0 310.309 3.061 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)c2cccs2)n1 ZINC000166678235 432061637 /nfs/dbraw/zinc/06/16/37/432061637.db2.gz JLCVTZYELFQKLG-QMMMGPOBSA-N 0 0 307.331 3.011 10 5 DGBERN CC(C)c1nnc(COc2c(Cl)cccc2[N+](=O)[O-])n1C ZINC000177986702 198799331 /nfs/dbraw/zinc/79/93/31/198799331.db2.gz JIXSQOBIJILHCE-UHFFFAOYSA-N 0 0 310.741 3.079 10 5 DGBERN COc1cccc(NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])c1 ZINC000005869832 181291951 /nfs/dbraw/zinc/29/19/51/181291951.db2.gz IFYUGGANJBNNEA-LLVKDONJSA-N 0 0 316.313 3.009 10 5 DGBERN Cc1nc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cs1 ZINC000170497301 432072754 /nfs/dbraw/zinc/07/27/54/432072754.db2.gz UKUUVDIVAKXPKP-SECBINFHSA-N 0 0 305.359 3.159 10 5 DGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCC1=CCCC1 ZINC000179538127 199052674 /nfs/dbraw/zinc/05/26/74/199052674.db2.gz XMFRJYYRPADUFI-UHFFFAOYSA-N 0 0 313.357 3.235 10 5 DGBERN CC[C@H](NC(=O)c1csnc1C)c1cccc([N+](=O)[O-])c1 ZINC000179700255 199073603 /nfs/dbraw/zinc/07/36/03/199073603.db2.gz SZIVZDKLSURRKI-ZDUSSCGKSA-N 0 0 305.359 3.241 10 5 DGBERN CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@@H](O)C1CCCCC1 ZINC000276620384 213005233 /nfs/dbraw/zinc/00/52/33/213005233.db2.gz MRFIOHFOHIZXGE-OAHLLOKOSA-N 0 0 307.346 3.117 10 5 DGBERN Cc1cc2ncn(C(=O)Cc3ccccc3[N+](=O)[O-])c2cc1C ZINC000005926797 181296746 /nfs/dbraw/zinc/29/67/46/181296746.db2.gz SUIQISLZSOHPRM-UHFFFAOYSA-N 0 0 309.325 3.444 10 5 DGBERN CCCc1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n[nH]1 ZINC000134708506 432083323 /nfs/dbraw/zinc/08/33/23/432083323.db2.gz LEDLRDFYZWCAIV-UHFFFAOYSA-N 0 0 308.725 3.176 10 5 DGBERN COCc1ccsc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000180334679 432084366 /nfs/dbraw/zinc/08/43/66/432084366.db2.gz ZOZFYIYSNQWZCJ-UHFFFAOYSA-N 0 0 320.370 3.075 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCc2cccc(O)c21 ZINC000170873074 432085844 /nfs/dbraw/zinc/08/58/44/432085844.db2.gz UIHXWGOSGCJAHI-UHFFFAOYSA-N 0 0 312.325 3.202 10 5 DGBERN Cc1cccc(N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000188421446 200244388 /nfs/dbraw/zinc/24/43/88/200244388.db2.gz CPDKOFQOGCJOQE-KBPBESRZSA-N 0 0 318.398 3.177 10 5 DGBERN COc1cc(C(=O)N2C[C@@H](C)CC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000188528668 200261522 /nfs/dbraw/zinc/26/15/22/200261522.db2.gz JCQUKXSLWOOYRU-QWRGUYRKSA-N 0 0 306.362 3.172 10 5 DGBERN CCOC(C)(C)CNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000189143091 200355434 /nfs/dbraw/zinc/35/54/34/200355434.db2.gz PQJPPBAYNOPTIZ-AWEZNQCLSA-N 0 0 323.393 3.160 10 5 DGBERN C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000180596705 432092099 /nfs/dbraw/zinc/09/20/99/432092099.db2.gz XJMSFEVTAHKERD-VIFPVBQESA-N 0 0 319.748 3.321 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(C(C)C)cs1 ZINC000054128468 283611043 /nfs/dbraw/zinc/61/10/43/283611043.db2.gz DBYZHJOYDVZRDJ-UHFFFAOYSA-N 0 0 306.347 3.130 10 5 DGBERN COC(=O)/C=C/c1ccc(NCC2(SC)CC2)c([N+](=O)[O-])c1 ZINC000193730820 201113286 /nfs/dbraw/zinc/11/32/86/201113286.db2.gz VZDKIBYIMFIODS-GQCTYLIASA-N 0 0 322.386 3.089 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)c2c[nH]nc2C(C)C)cc1[N+](=O)[O-] ZINC000193675685 201101135 /nfs/dbraw/zinc/10/11/35/201101135.db2.gz HGVMYPFANMZPOX-LLVKDONJSA-N 0 0 316.361 3.241 10 5 DGBERN Cc1c(CSCc2nsc(N(C)C)n2)cccc1[N+](=O)[O-] ZINC000180741642 432098362 /nfs/dbraw/zinc/09/83/62/432098362.db2.gz JRYGJNZDZRGKEX-UHFFFAOYSA-N 0 0 324.431 3.254 10 5 DGBERN COc1cccc(C(C)(C)CNc2ccc([N+](=O)[O-])nc2)c1 ZINC000441945082 239076135 /nfs/dbraw/zinc/07/61/35/239076135.db2.gz YYCWLWCMUXECDZ-UHFFFAOYSA-N 0 0 301.346 3.388 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1cccc(O)c1 ZINC000069426200 283729912 /nfs/dbraw/zinc/72/99/12/283729912.db2.gz MNSKNGZMVODIHO-LLVKDONJSA-N 0 0 300.314 3.100 10 5 DGBERN Cc1c(C(=O)Nc2ccnn2[C@@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000247970855 202707503 /nfs/dbraw/zinc/70/75/03/202707503.db2.gz AGVMXZXVOMVTEV-NSHDSACASA-N 0 0 314.345 3.323 10 5 DGBERN C[C@H]1c2ccccc2O[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000117587948 291322298 /nfs/dbraw/zinc/32/22/98/291322298.db2.gz QTXLAKONZVQVQG-APPDUMDISA-N 0 0 324.336 3.049 10 5 DGBERN O=C(COc1ccccc1[N+](=O)[O-])NCC1CCCCCC1 ZINC000452794271 241521122 /nfs/dbraw/zinc/52/11/22/241521122.db2.gz KLSBGACFOXWNMY-UHFFFAOYSA-N 0 0 306.362 3.060 10 5 DGBERN COc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1F ZINC000090066086 283981894 /nfs/dbraw/zinc/98/18/94/283981894.db2.gz GIKIAHSTUODNBT-UHFFFAOYSA-N 0 0 304.277 3.303 10 5 DGBERN Cc1ccc(C(=O)Nc2cccc3c2OCCC3)cc1[N+](=O)[O-] ZINC000466392825 243915436 /nfs/dbraw/zinc/91/54/36/243915436.db2.gz PIUZOEAGOVAMEC-UHFFFAOYSA-N 0 0 312.325 3.481 10 5 DGBERN Cc1ccc([C@H]2CN(Cc3ccc(C)c([N+](=O)[O-])c3)CCO2)o1 ZINC000093864764 193321086 /nfs/dbraw/zinc/32/10/86/193321086.db2.gz JSFZAGFFEGQXFH-QGZVFWFLSA-N 0 0 316.357 3.378 10 5 DGBERN CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000121190083 284190526 /nfs/dbraw/zinc/19/05/26/284190526.db2.gz PPJQLODGPYCIRE-LLVKDONJSA-N 0 0 306.347 3.324 10 5 DGBERN COC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000171324900 432124127 /nfs/dbraw/zinc/12/41/27/432124127.db2.gz HXOZCJXBLUMYMO-INIZCTEOSA-N 0 0 314.341 3.021 10 5 DGBERN CC[C@@H]1CCCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000125504437 284277275 /nfs/dbraw/zinc/27/72/75/284277275.db2.gz MUFZDAWESYHUBH-LLVKDONJSA-N 0 0 316.361 3.266 10 5 DGBERN O=[N+]([O-])c1cccc(F)c1CN1CCO[C@H](c2ccsc2)C1 ZINC000126496894 284307139 /nfs/dbraw/zinc/30/71/39/284307139.db2.gz FCQJFIWZEUQJQA-HNNXBMFYSA-N 0 0 322.361 3.369 10 5 DGBERN Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000171364041 432125687 /nfs/dbraw/zinc/12/56/87/432125687.db2.gz QYKCETWFXVAPOP-GFCCVEGCSA-N 0 0 315.377 3.045 10 5 DGBERN O=C(NCc1cccnc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017168758 182078649 /nfs/dbraw/zinc/07/86/49/182078649.db2.gz FHMLVHZSYKVTKU-UHFFFAOYSA-N 0 0 323.308 3.180 10 5 DGBERN O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@@]2(CC=CCC2)C1 ZINC000183633311 284383702 /nfs/dbraw/zinc/38/37/02/284383702.db2.gz LOKQPWGNYQLNMF-INIZCTEOSA-N 0 0 316.361 3.344 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246448893 432132057 /nfs/dbraw/zinc/13/20/57/432132057.db2.gz NQDUMLCLDVXMDQ-XFMPKHEZSA-N 0 0 320.389 3.284 10 5 DGBERN O=C(Cn1ccc2ccc([N+](=O)[O-])cc21)N1CCc2ccccc21 ZINC000020762157 182246514 /nfs/dbraw/zinc/24/65/14/182246514.db2.gz NQNSIRNDUSYQAC-UHFFFAOYSA-N 0 0 321.336 3.139 10 5 DGBERN Cc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000023496178 182362075 /nfs/dbraw/zinc/36/20/75/182362075.db2.gz IHXUPNNKKMRGBV-UHFFFAOYSA-N 0 0 308.721 3.422 10 5 DGBERN CSCCCCNc1ncc([N+](=O)[O-])cc1Br ZINC000135764583 432135908 /nfs/dbraw/zinc/13/59/08/432135908.db2.gz GVLQEJDEFLDIIU-UHFFFAOYSA-N 0 0 320.212 3.307 10 5 DGBERN CCOc1ccccc1Nc1ncnc(OC(C)C)c1[N+](=O)[O-] ZINC000040659690 183115025 /nfs/dbraw/zinc/11/50/25/183115025.db2.gz WPYOYQWTRFQIOQ-UHFFFAOYSA-N 0 0 318.333 3.314 10 5 DGBERN O=[N+]([O-])c1c(Cl)ncnc1Nc1cccc2ncccc21 ZINC000040571463 183104317 /nfs/dbraw/zinc/10/43/17/183104317.db2.gz LXAQWCBRFOBLNL-UHFFFAOYSA-N 0 0 301.693 3.330 10 5 DGBERN CC(C)(C)Nc1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-] ZINC000040581481 183105250 /nfs/dbraw/zinc/10/52/50/183105250.db2.gz FANVWKYMDZGILH-UHFFFAOYSA-N 0 0 313.361 3.289 10 5 DGBERN CC(C)(C)Nc1ncnc(Nc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000040581732 183105373 /nfs/dbraw/zinc/10/53/73/183105373.db2.gz ATMHGLMGSQXZSQ-UHFFFAOYSA-N 0 0 305.313 3.478 10 5 DGBERN CN(C)c1ncnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000040586537 183106098 /nfs/dbraw/zinc/10/60/98/183106098.db2.gz UVRYSMTVMVOBCT-UHFFFAOYSA-N 0 0 310.313 3.396 10 5 DGBERN O=[N+]([O-])c1c(NCc2ccco2)ncnc1NC1CCCCC1 ZINC000040598072 183107052 /nfs/dbraw/zinc/10/70/52/183107052.db2.gz KNLOOQPINVFGCW-UHFFFAOYSA-N 0 0 317.349 3.335 10 5 DGBERN O=[N+]([O-])c1c(Nc2cccnc2)ncnc1NC1CCCCC1 ZINC000040598054 183107147 /nfs/dbraw/zinc/10/71/47/183107147.db2.gz QJBGKIVNNZSDSQ-UHFFFAOYSA-N 0 0 314.349 3.268 10 5 DGBERN CN(C)c1ncnc(Nc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000040608387 183108960 /nfs/dbraw/zinc/10/89/60/183108960.db2.gz BPTKZYRBVBREHV-UHFFFAOYSA-N 0 0 309.329 3.348 10 5 DGBERN CN(c1ccccc1)c1ncnc(Oc2cccnc2)c1[N+](=O)[O-] ZINC000040625549 183110800 /nfs/dbraw/zinc/11/08/00/183110800.db2.gz HZPZIFKUTHLFJK-UHFFFAOYSA-N 0 0 323.312 3.340 10 5 DGBERN O=[N+]([O-])c1cnccc1NCc1ccccc1Br ZINC000042419454 183268134 /nfs/dbraw/zinc/26/81/34/183268134.db2.gz DTQIQDMESJSMAM-UHFFFAOYSA-N 0 0 308.135 3.364 10 5 DGBERN CCN(c1ccc(Br)cc1[N+](=O)[O-])[C@@H](C)COC ZINC000042801694 183310598 /nfs/dbraw/zinc/31/05/98/183310598.db2.gz VDSKUHUQMOGJAU-VIFPVBQESA-N 0 0 317.183 3.219 10 5 DGBERN Cc1cnc(N2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)c([N+](=O)[O-])c1 ZINC000284704071 218142811 /nfs/dbraw/zinc/14/28/11/218142811.db2.gz SVNYUPJRYVCOKO-CPUCHLNUSA-N 0 0 319.405 3.208 10 5 DGBERN CCCN(C[C@@H]1CCCCO1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000106696243 194244941 /nfs/dbraw/zinc/24/49/41/194244941.db2.gz HRTDJBTWRSXQJK-HNNXBMFYSA-N 0 0 320.389 3.325 10 5 DGBERN Cn1cccc1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000050595764 183790167 /nfs/dbraw/zinc/79/01/67/183790167.db2.gz XSCUWQXOSOBPKR-UHFFFAOYSA-N 0 0 310.151 3.308 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CC[C@H]1CCCCO1 ZINC000110209385 194316079 /nfs/dbraw/zinc/31/60/79/194316079.db2.gz ZYXJHZNUEWOIGZ-IUODEOHRSA-N 0 0 318.373 3.222 10 5 DGBERN O=C(NC[C@H]1C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000110440507 194330069 /nfs/dbraw/zinc/33/00/69/194330069.db2.gz LRJIMRUNNIFWTJ-DOMZBBRYSA-N 0 0 314.316 3.267 10 5 DGBERN O=C(Nc1ccon1)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000057989296 184064901 /nfs/dbraw/zinc/06/49/01/184064901.db2.gz NHNQGLYFFBGHDP-UHFFFAOYSA-N 0 0 302.073 3.142 10 5 DGBERN Cc1sc(C(=O)NCCCOC2CCCC2)cc1[N+](=O)[O-] ZINC000061255831 184166919 /nfs/dbraw/zinc/16/69/19/184166919.db2.gz JNKFUUYPNWPORJ-UHFFFAOYSA-N 0 0 312.391 3.044 10 5 DGBERN O=[N+]([O-])c1ccc(C[C@H](O)c2ccc(Br)o2)cc1 ZINC000062140098 184208143 /nfs/dbraw/zinc/20/81/43/184208143.db2.gz PITVONXMFVVISU-JTQLQIEISA-N 0 0 312.119 3.226 10 5 DGBERN C[C@H](Sc1ncccc1[N+](=O)[O-])C(=O)N(C)C1CCCCC1 ZINC000067648620 184476321 /nfs/dbraw/zinc/47/63/21/184476321.db2.gz GCCFLPSHYZMMGC-NSHDSACASA-N 0 0 323.418 3.262 10 5 DGBERN Cc1c(C(=O)N2CCC[C@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000116039990 194712542 /nfs/dbraw/zinc/71/25/42/194712542.db2.gz LWNFPUFEXXELOR-AWEZNQCLSA-N 0 0 300.314 3.474 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1 ZINC000248664203 285016230 /nfs/dbraw/zinc/01/62/30/285016230.db2.gz KSVLSAOSFVNIQB-FRRDWIJNSA-N 0 0 322.409 3.002 10 5 DGBERN CO[C@@H](C)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC000178188222 252730215 /nfs/dbraw/zinc/73/02/15/252730215.db2.gz FLQMMSKMWVLVRX-JTQLQIEISA-N 0 0 315.329 3.137 10 5 DGBERN COc1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1O ZINC000436380011 533003690 /nfs/dbraw/zinc/00/36/90/533003690.db2.gz VEGVOEKLGRMBJE-UHFFFAOYSA-N 0 0 317.301 3.261 10 5 DGBERN CO[C@H](C)c1nc(CN(C)c2ncc(C)cc2[N+](=O)[O-])cs1 ZINC000301568892 533122143 /nfs/dbraw/zinc/12/21/43/533122143.db2.gz QQTRMYZMYOSKEI-SNVBAGLBSA-N 0 0 322.390 3.099 10 5 DGBERN COC(=O)/C=C/c1ccc(N[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302550400 533124715 /nfs/dbraw/zinc/12/47/15/533124715.db2.gz QEIRERJJSOZKTI-OBGXAZDVSA-N 0 0 304.346 3.382 10 5 DGBERN CCC[C@@]1(COC)CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000302813501 285279413 /nfs/dbraw/zinc/27/94/13/285279413.db2.gz HURMJJKQZMFKND-AWEZNQCLSA-N 0 0 313.785 3.429 10 5 DGBERN Cc1cc(N2CCCC[C@@H]2c2nccs2)ncc1[N+](=O)[O-] ZINC000266848111 291932806 /nfs/dbraw/zinc/93/28/06/291932806.db2.gz PWVUXXPQBFYZAZ-LLVKDONJSA-N 0 0 304.375 3.486 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1C[S@](=O)Cc1ccccc1F ZINC000071924153 184907672 /nfs/dbraw/zinc/90/76/72/184907672.db2.gz UBOYZJLOENPNSV-QFIPXVFZSA-N 0 0 323.345 3.191 10 5 DGBERN CCc1noc(C)c1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000120972407 195274744 /nfs/dbraw/zinc/27/47/44/195274744.db2.gz VIXFQWSAOOHXBE-UHFFFAOYSA-N 0 0 321.358 3.428 10 5 DGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2ccco2)C1 ZINC000121329628 195304711 /nfs/dbraw/zinc/30/47/11/195304711.db2.gz FJYMBIMUDZZNFP-LRDDRELGSA-N 0 0 302.330 3.322 10 5 DGBERN COC(=O)CCCCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000178869223 533367819 /nfs/dbraw/zinc/36/78/19/533367819.db2.gz BFHTUNUCIISSPJ-UHFFFAOYSA-N 0 0 302.277 3.018 10 5 DGBERN C/C(=C\c1nc(Cc2ccon2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000356753353 285474221 /nfs/dbraw/zinc/47/42/21/285474221.db2.gz HMYZGMQJKGFWJD-CSKARUKUSA-N 0 0 312.285 3.117 10 5 DGBERN Cc1ccc(OCCN(C)C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000016966457 400176999 /nfs/dbraw/zinc/17/69/99/400176999.db2.gz DATXOIBAPSNTIS-UHFFFAOYSA-N 0 0 314.341 3.054 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(Nc2ccc(NC(C)=O)cc2)c1 ZINC000092582924 400183064 /nfs/dbraw/zinc/18/30/64/400183064.db2.gz FLFMCQDFWXHMMU-UHFFFAOYSA-N 0 0 319.292 3.445 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@@H](O)C2)c(Br)c1 ZINC000610273854 400230772 /nfs/dbraw/zinc/23/07/72/400230772.db2.gz RPSWVUDTMIKVJW-WCBMZHEXSA-N 0 0 315.167 3.073 10 5 DGBERN Cc1csc([C@H]2CCCN(c3ncc(C)cc3[N+](=O)[O-])C2)n1 ZINC000610284242 400234217 /nfs/dbraw/zinc/23/42/17/400234217.db2.gz XUEYIYGZQYSPTD-LBPRGKRZSA-N 0 0 318.402 3.447 10 5 DGBERN Cc1cc(NCCn2c(C3CC3)n[nH]c2=S)ccc1[N+](=O)[O-] ZINC000092663507 400191450 /nfs/dbraw/zinc/19/14/50/400191450.db2.gz NJZUJUFTPHXJER-UHFFFAOYSA-N 0 0 319.390 3.147 10 5 DGBERN Cc1cc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nn1C ZINC000092826116 400206946 /nfs/dbraw/zinc/20/69/46/400206946.db2.gz JYTCPCRVCYTGHT-UHFFFAOYSA-N 0 0 300.240 3.399 10 5 DGBERN O=[N+]([O-])c1cc(Br)nc(SC(F)(F)F)c1 ZINC000396147497 400281689 /nfs/dbraw/zinc/28/16/89/400281689.db2.gz FIXDXTPINPJPNS-UHFFFAOYSA-N 0 0 303.059 3.364 10 5 DGBERN CCOc1ccc(C(=O)NC(C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000610911990 400323608 /nfs/dbraw/zinc/32/36/08/400323608.db2.gz JJDNWDHKBORJLC-UHFFFAOYSA-N 0 0 308.378 3.404 10 5 DGBERN Cc1ccccc1[C@H](C)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000029595641 400310841 /nfs/dbraw/zinc/31/08/41/400310841.db2.gz UBNUGLFWIVTCFX-NSHDSACASA-N 0 0 324.340 3.313 10 5 DGBERN Cn1cc([C@H]2CCCCN2c2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000589101252 400259118 /nfs/dbraw/zinc/25/91/18/400259118.db2.gz KSKNYHIFCYYYSU-CYBMUJFWSA-N 0 0 304.325 3.199 10 5 DGBERN CC(=O)c1ccc(NC[C@@H]2C[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000601191743 400259313 /nfs/dbraw/zinc/25/93/13/400259313.db2.gz MWDXLXRSUUOVIC-GJZGRUSLSA-N 0 0 311.341 3.408 10 5 DGBERN CC(=O)c1ccc2c(c1)CCN(c1ccc([N+](=O)[O-])s1)CC2 ZINC000611116218 400347525 /nfs/dbraw/zinc/34/75/25/400347525.db2.gz MAQUMRFIERZFHQ-UHFFFAOYSA-N 0 0 316.382 3.464 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1C(=O)NC/C=C/c1ccccc1 ZINC000112584926 400375938 /nfs/dbraw/zinc/37/59/38/400375938.db2.gz JEEFOMULTWURRT-VMPITWQZSA-N 0 0 312.325 3.047 10 5 DGBERN COCc1ccc(OCc2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000116964085 400414463 /nfs/dbraw/zinc/41/44/63/400414463.db2.gz VTHKRSNTHWWQJK-UHFFFAOYSA-N 0 0 303.314 3.329 10 5 DGBERN C[C@H](CNC(=O)OC(C)(C)C)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000118737940 400431146 /nfs/dbraw/zinc/43/11/46/400431146.db2.gz PQOPDZBGKPTWRY-SECBINFHSA-N 0 0 314.313 3.026 10 5 DGBERN CC(=O)CC(C)(C)CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000602241525 400428729 /nfs/dbraw/zinc/42/87/29/400428729.db2.gz JVQCGVHVISJKEY-LLVKDONJSA-N 0 0 318.373 3.268 10 5 DGBERN O=C(Nc1nc2ccccc2[nH]1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129837401 400530768 /nfs/dbraw/zinc/53/07/68/400530768.db2.gz MUASZTFVGDWEOW-UHFFFAOYSA-N 0 0 321.296 3.205 10 5 DGBERN CC(C)(C)CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000612530985 400558965 /nfs/dbraw/zinc/55/89/65/400558965.db2.gz CYVJCTSKBORNLP-UHFFFAOYSA-N 0 0 304.268 3.390 10 5 DGBERN Nc1cc(Sc2ccc(F)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000143398341 400634547 /nfs/dbraw/zinc/63/45/47/400634547.db2.gz ZGDNLXWHHDLXHY-UHFFFAOYSA-N 0 0 309.278 3.376 10 5 DGBERN C[C@H](Nc1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000052720299 400745097 /nfs/dbraw/zinc/74/50/97/400745097.db2.gz KQUFNFZBUOKXKU-NSHDSACASA-N 0 0 320.370 3.171 10 5 DGBERN O=[N+]([O-])c1c(NC[C@@H]2CCCC[C@@H]2O)ccc2ncccc21 ZINC000077208398 400695010 /nfs/dbraw/zinc/69/50/10/400695010.db2.gz RMQJVHITUFUFBI-NHYWBVRUSA-N 0 0 301.346 3.106 10 5 DGBERN CC(C)(C(=O)NCc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000154945580 400698268 /nfs/dbraw/zinc/69/82/68/400698268.db2.gz BCJBMPJNLXSEQO-UHFFFAOYSA-N 0 0 316.332 3.328 10 5 DGBERN CCOc1c(F)cccc1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000079777882 400895488 /nfs/dbraw/zinc/89/54/88/400895488.db2.gz BQSNWFBOROVNPR-UHFFFAOYSA-N 0 0 318.304 3.063 10 5 DGBERN COc1cc([N+](=O)[O-])ccc1-c1cnn(C(=O)OC(C)(C)C)c1 ZINC000222153536 400953916 /nfs/dbraw/zinc/95/39/16/400953916.db2.gz HXBPDQNWCRQYFF-UHFFFAOYSA-N 0 0 319.317 3.250 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)CCNc2ccccc2[N+](=O)[O-])o1 ZINC000198813775 400935177 /nfs/dbraw/zinc/93/51/77/400935177.db2.gz UZGSRCYEEKAEAD-GFCCVEGCSA-N 0 0 317.345 3.176 10 5 DGBERN Cc1nn(C)c(C)c1C[C@H](C)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000080660216 400976297 /nfs/dbraw/zinc/97/62/97/400976297.db2.gz YDFOBGXPBJHDES-NSHDSACASA-N 0 0 302.378 3.297 10 5 DGBERN CC(=O)C(C)(C)CCc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000616017401 401196864 /nfs/dbraw/zinc/19/68/64/401196864.db2.gz OXHSEVGJKUVVNT-UHFFFAOYSA-N 0 0 317.345 3.116 10 5 DGBERN Cc1ccc([C@H]2CCCN2c2c([N+](=O)[O-])ncn2C)cc1C ZINC000063859344 401222946 /nfs/dbraw/zinc/22/29/46/401222946.db2.gz IYZMKHMIJIQYGT-CQSZACIVSA-N 0 0 300.362 3.287 10 5 DGBERN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000087274161 401187851 /nfs/dbraw/zinc/18/78/51/401187851.db2.gz RSLVOLSEOWYZOF-SJLPKXTDSA-N 0 0 324.380 3.447 10 5 DGBERN O=[N+]([O-])c1cnc(Oc2ccc3nccnc3c2)c(Cl)c1 ZINC000089647861 401234427 /nfs/dbraw/zinc/23/44/27/401234427.db2.gz UHPKIPBACFCWHK-UHFFFAOYSA-N 0 0 302.677 3.379 10 5 DGBERN CC(=O)[C@@H](C)CCCCC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000360527030 286495229 /nfs/dbraw/zinc/49/52/29/286495229.db2.gz ICTZLGZDYRQGSZ-LBPRGKRZSA-N 0 0 320.389 3.305 10 5 DGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nccs2)C1 ZINC000171643893 164634611 /nfs/dbraw/zinc/63/46/11/164634611.db2.gz RKXLCYWUPZEEMD-LBPRGKRZSA-N 0 0 317.370 3.071 10 5 DGBERN CO[C@H](C)c1cccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC000180742925 164893252 /nfs/dbraw/zinc/89/32/52/164893252.db2.gz JYWOUYURFVWPRI-SNVBAGLBSA-N 0 0 315.329 3.137 10 5 DGBERN Cc1nn(Cc2ccc(C(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000181815930 164921985 /nfs/dbraw/zinc/92/19/85/164921985.db2.gz RKVXISUEAVYZGP-UHFFFAOYSA-N 0 0 317.345 3.103 10 5 DGBERN COc1cccc(N2CCO[C@@H](c3ccc(C)o3)C2)c1[N+](=O)[O-] ZINC000185630303 165011136 /nfs/dbraw/zinc/01/11/36/165011136.db2.gz VBXSOLWMDAMITJ-OAHLLOKOSA-N 0 0 318.329 3.083 10 5 DGBERN Cc1ccc(-n2cccn2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000190462486 165204800 /nfs/dbraw/zinc/20/48/00/165204800.db2.gz RYYHXJUZSXOYQN-UHFFFAOYSA-N 0 0 322.324 3.341 10 5 DGBERN O=[N+]([O-])c1cnc(NCc2ncc(-c3ccccc3)cn2)s1 ZINC000192531102 165294995 /nfs/dbraw/zinc/29/49/95/165294995.db2.gz IZXNKBWOVATELB-UHFFFAOYSA-N 0 0 313.342 3.120 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccccc1)c1ccncc1 ZINC000194133532 165337331 /nfs/dbraw/zinc/33/73/31/165337331.db2.gz PRJXHCSQSZJADL-UHFFFAOYSA-N 0 0 323.308 3.430 10 5 DGBERN O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc[nH]1 ZINC000194107212 165337400 /nfs/dbraw/zinc/33/74/00/165337400.db2.gz QPTMEQRPKFHJDL-UHFFFAOYSA-N 0 0 314.219 3.203 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC(F)(F)F)C1CC1 ZINC000195321698 165364876 /nfs/dbraw/zinc/36/48/76/165364876.db2.gz FTFQOIGTMISDBV-UHFFFAOYSA-N 0 0 302.252 3.070 10 5 DGBERN O=[N+]([O-])c1cc(Br)ccc1NCC[C@H]1CCOC1 ZINC000230104198 165392456 /nfs/dbraw/zinc/39/24/56/165392456.db2.gz YQNSCFGRSVOUBP-VIFPVBQESA-N 0 0 315.167 3.196 10 5 DGBERN COCc1ccsc1C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000182493108 432196001 /nfs/dbraw/zinc/19/60/01/432196001.db2.gz RGJFRVDWPYLQRD-UHFFFAOYSA-N 0 0 322.342 3.064 10 5 DGBERN CC(C)[C@H](C)CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000172448068 432214887 /nfs/dbraw/zinc/21/48/87/432214887.db2.gz IRLGPZGJOAOFGJ-NEPJUHHUSA-N 0 0 310.419 3.484 10 5 DGBERN CC[C@@H](NC(=O)c1cccc(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000182563803 432204294 /nfs/dbraw/zinc/20/42/94/432204294.db2.gz SPGABJMMHJWQBR-OAHLLOKOSA-N 0 0 300.314 3.182 10 5 DGBERN O=[N+]([O-])c1cccc(-c2noc(CSC3CCOCC3)n2)c1 ZINC000131658782 196189211 /nfs/dbraw/zinc/18/92/11/196189211.db2.gz UHQJYTCWASIPBM-UHFFFAOYSA-N 0 0 321.358 3.057 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnn1-c1ccccc1 ZINC000174182348 228287668 /nfs/dbraw/zinc/28/76/68/228287668.db2.gz GHWVNHNNNMDJTP-UHFFFAOYSA-N 0 0 322.324 3.341 10 5 DGBERN Cn1c(CNc2ncccc2[N+](=O)[O-])cc(Cl)c1Cl ZINC000301646103 229796035 /nfs/dbraw/zinc/79/60/35/229796035.db2.gz NXNZSZLSXYUDIT-UHFFFAOYSA-N 0 0 301.133 3.247 10 5 DGBERN Cc1cc(NCC[C@H]2CCCO2)c2cccc([N+](=O)[O-])c2n1 ZINC000302041409 230058985 /nfs/dbraw/zinc/05/89/85/230058985.db2.gz WMOUJZLUVRVXBU-GFCCVEGCSA-N 0 0 301.346 3.432 10 5 DGBERN C[C@H](CNc1cc(CO)ccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000302073033 230080382 /nfs/dbraw/zinc/08/03/82/230080382.db2.gz WMIRKECUNSJWQL-LLVKDONJSA-N 0 0 320.320 3.106 10 5 DGBERN Cc1cc(NCCC2(C)OCCO2)c2cccc([N+](=O)[O-])c2n1 ZINC000302144840 230123277 /nfs/dbraw/zinc/12/32/77/230123277.db2.gz HAFGYKXAVGPXQK-UHFFFAOYSA-N 0 0 317.345 3.016 10 5 DGBERN Cc1ccc(Nc2ccc(OCCO)c(C)c2)c([N+](=O)[O-])c1 ZINC000302200731 230158646 /nfs/dbraw/zinc/15/86/46/230158646.db2.gz VBJDLWYPVWEQHP-UHFFFAOYSA-N 0 0 302.330 3.326 10 5 DGBERN O=C(NCCC1CCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000179570806 263560963 /nfs/dbraw/zinc/56/09/63/263560963.db2.gz CXWXJRMIFDWVTE-UHFFFAOYSA-N 0 0 313.357 3.453 10 5 DGBERN Cc1c(NC(=O)c2snnc2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000191356431 263753358 /nfs/dbraw/zinc/75/33/58/263753358.db2.gz KHPNPZGWNYLLRK-UHFFFAOYSA-N 0 0 320.374 3.305 10 5 DGBERN COc1cc(C(=O)Nc2nc(C(C)C)cs2)ccc1[N+](=O)[O-] ZINC000195244193 263828074 /nfs/dbraw/zinc/82/80/74/263828074.db2.gz CIAFMFPLQZDUMO-UHFFFAOYSA-N 0 0 321.358 3.436 10 5 DGBERN C[C@@H](NC(=O)N1C[C@H](C)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000247410352 432229474 /nfs/dbraw/zinc/22/94/74/432229474.db2.gz IUFQLAZQHMQWRN-JHJVBQTASA-N 0 0 305.378 3.486 10 5 DGBERN O=c1c2cc3ccccc3cc2ncn1C[C@H](O)CC1CCCC1 ZINC000191285361 432245571 /nfs/dbraw/zinc/24/55/71/432245571.db2.gz WIMIOBJGOMSAER-QGZVFWFLSA-N 0 0 322.408 3.491 10 5 DGBERN CO[C@@H](C)c1cccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000172948324 432247876 /nfs/dbraw/zinc/24/78/76/432247876.db2.gz KLCCHLHJOHGGAM-LBPRGKRZSA-N 0 0 314.341 3.483 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1cc(F)cc(F)c1 ZINC000042180635 270939624 /nfs/dbraw/zinc/93/96/24/270939624.db2.gz FVLKFUCGSPOWDD-UHFFFAOYSA-N 0 0 322.267 3.199 10 5 DGBERN COc1cc(C(=O)N(C)C[C@H]2CC=CCC2)cc([N+](=O)[O-])c1C ZINC000359858313 271001158 /nfs/dbraw/zinc/00/11/58/271001158.db2.gz RNJHMNNYUOIZPJ-ZDUSSCGKSA-N 0 0 318.373 3.340 10 5 DGBERN CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC000000192024 275476286 /nfs/dbraw/zinc/47/62/86/275476286.db2.gz LQSFJJZRJMZZFH-QGZVFWFLSA-N 0 0 309.325 3.292 10 5 DGBERN CC(C)c1n[nH]c(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)c1[N+](=O)[O-] ZINC000408173668 276041154 /nfs/dbraw/zinc/04/11/54/276041154.db2.gz MNRCNVYKIWHCEH-BDJLRTHQSA-N 0 0 320.393 3.094 10 5 DGBERN CCOC(=O)[C@@]1(C)CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000154888766 276291310 /nfs/dbraw/zinc/29/13/10/276291310.db2.gz BXWYEHYESWQXNY-AWEZNQCLSA-N 0 0 312.753 3.028 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1Nc1cc(C)n([C@H](C)C2CC2)n1 ZINC000619489889 430596563 /nfs/dbraw/zinc/59/65/63/430596563.db2.gz YBQBADRJUFMRQU-LLVKDONJSA-N 0 0 318.381 3.339 10 5 DGBERN C[C@@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000408109861 278556749 /nfs/dbraw/zinc/55/67/49/278556749.db2.gz ZQKPZYRYMZQIPQ-RDDDGLTNSA-N 0 0 305.161 3.109 10 5 DGBERN Cc1cccc(C(=O)N[C@H]2CCc3c2cccc3F)c1[N+](=O)[O-] ZINC000055692197 278912620 /nfs/dbraw/zinc/91/26/20/278912620.db2.gz IGFDKFMFBRCYGV-HNNXBMFYSA-N 0 0 314.316 3.460 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(Cl)o1 ZINC000103377099 279013152 /nfs/dbraw/zinc/01/31/52/279013152.db2.gz MEEHJDGCRLMCML-MRVPVSSYSA-N 0 0 306.705 3.433 10 5 DGBERN Cc1nc(C[C@H]2CCCN(c3ccc(C)cc3[N+](=O)[O-])C2)no1 ZINC000269926449 279085395 /nfs/dbraw/zinc/08/53/95/279085395.db2.gz MDDZKAWXCUYQIS-CYBMUJFWSA-N 0 0 316.361 3.054 10 5 DGBERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000117585664 279139540 /nfs/dbraw/zinc/13/95/40/279139540.db2.gz DNGRLUBHEZCVFQ-PIGZYNQJSA-N 0 0 324.336 3.049 10 5 DGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC(C)(CC)CC)cc1OC ZINC000112827889 431307565 /nfs/dbraw/zinc/30/75/65/431307565.db2.gz ZCSYUULXYHUYPH-UHFFFAOYSA-N 0 0 324.377 3.311 10 5 DGBERN O=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])cc2)N1C1CC1 ZINC000007889705 431369321 /nfs/dbraw/zinc/36/93/21/431369321.db2.gz KUZPAWPQXSSSMW-MRXNPFEDSA-N 0 0 309.325 3.324 10 5 DGBERN CCOc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)ccc1C ZINC000113033175 431325705 /nfs/dbraw/zinc/32/57/05/431325705.db2.gz SISOOQDGGQTVKC-UHFFFAOYSA-N 0 0 314.341 3.232 10 5 DGBERN CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H](C)c1cccnc1 ZINC000115230486 431440269 /nfs/dbraw/zinc/44/02/69/431440269.db2.gz NGZDXYZWPDVROT-NSHDSACASA-N 0 0 317.320 3.352 10 5 DGBERN Cc1cc(C(=O)N2CCC[C@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000116043802 431480495 /nfs/dbraw/zinc/48/04/95/431480495.db2.gz CNLFKWHTXXDHAF-AWEZNQCLSA-N 0 0 300.314 3.474 10 5 DGBERN Cc1sc(C(=O)Nc2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000075636450 431487948 /nfs/dbraw/zinc/48/79/48/431487948.db2.gz USBUXTHIDQQLEZ-UHFFFAOYSA-N 0 0 302.315 3.093 10 5 DGBERN CS[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000117224892 431555376 /nfs/dbraw/zinc/55/53/76/431555376.db2.gz XTVLUYWJMUSOMY-AAEUAGOBSA-N 0 0 308.403 3.307 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(F)c1 ZINC000103377498 280023644 /nfs/dbraw/zinc/02/36/44/280023644.db2.gz QMGICRLNIPHYLY-JTQLQIEISA-N 0 0 300.289 3.325 10 5 DGBERN Cc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c(C)o1 ZINC000103377232 280345912 /nfs/dbraw/zinc/34/59/12/280345912.db2.gz GBXIIAUCDVHJNS-VIFPVBQESA-N 0 0 300.314 3.396 10 5 DGBERN O=[N+]([O-])c1ccc(Cl)c(CN2CCCC[C@H]2c2nc[nH]n2)c1 ZINC000182742438 280364354 /nfs/dbraw/zinc/36/43/54/280364354.db2.gz BWDNTXHMGDIYLM-ZDUSSCGKSA-N 0 0 321.768 3.094 10 5 DGBERN C[C@H]1SCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1C ZINC000118373537 431600254 /nfs/dbraw/zinc/60/02/54/431600254.db2.gz AQIXBXPBFLBSEH-VHSXEESVSA-N 0 0 319.386 3.042 10 5 DGBERN Cc1sc(C(=O)N[C@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000121184173 431751416 /nfs/dbraw/zinc/75/14/16/431751416.db2.gz OXWQPOYSZSPESA-JTQLQIEISA-N 0 0 306.343 3.365 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCS[C@@H]2CCCC[C@H]21 ZINC000175452732 280657911 /nfs/dbraw/zinc/65/79/11/280657911.db2.gz HFMIKTVTGSUIKB-HUUCEWRRSA-N 0 0 320.414 3.403 10 5 DGBERN CCc1noc(C)c1NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000121309331 431768808 /nfs/dbraw/zinc/76/88/08/431768808.db2.gz CWVCMFTVVYUDIM-UHFFFAOYSA-N 0 0 304.306 3.406 10 5 DGBERN Cc1ccc(CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)s1 ZINC000089205022 431861181 /nfs/dbraw/zinc/86/11/81/431861181.db2.gz QDIUKDBIQIQGMY-UHFFFAOYSA-N 0 0 316.342 3.022 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)NCc2ccccc2[N+](=O)[O-])o1 ZINC000043720497 431870228 /nfs/dbraw/zinc/87/02/28/431870228.db2.gz IQAFNODCZRPPQQ-NSHDSACASA-N 0 0 303.318 3.057 10 5 DGBERN Cc1cnc([C@@H](C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000125105830 431913677 /nfs/dbraw/zinc/91/36/77/431913677.db2.gz OQCKBVZPYOPKFV-MRVPVSSYSA-N 0 0 303.347 3.409 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1scnc1C1CC1 ZINC000089738803 431877340 /nfs/dbraw/zinc/87/73/40/431877340.db2.gz ZAHXHMJEOCRVIT-UHFFFAOYSA-N 0 0 303.343 3.489 10 5 DGBERN CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)c1cccc(F)c1 ZINC000045515543 431887263 /nfs/dbraw/zinc/88/72/63/431887263.db2.gz ODXBRUSYNSYGIH-UHFFFAOYSA-N 0 0 303.293 3.104 10 5 DGBERN Cc1cc(C(=O)Nc2cccc(-c3ncon3)c2)ccc1[N+](=O)[O-] ZINC000101526353 431985797 /nfs/dbraw/zinc/98/57/97/431985797.db2.gz IICGULWOJNRLBG-UHFFFAOYSA-N 0 0 324.296 3.206 10 5 DGBERN Cc1cccc2c1OCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000190154253 281289547 /nfs/dbraw/zinc/28/95/47/281289547.db2.gz ADXXXGRBGGJZQM-OAHLLOKOSA-N 0 0 312.325 3.157 10 5 DGBERN CCSCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000173304298 432269888 /nfs/dbraw/zinc/26/98/88/432269888.db2.gz KJFVZTLBYWTXRJ-QMMMGPOBSA-N 0 0 302.421 3.226 10 5 DGBERN CCOC1CC(CCNc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000191625527 432283571 /nfs/dbraw/zinc/28/35/71/432283571.db2.gz VSFDYMRADJFJBT-UHFFFAOYSA-N 0 0 312.341 3.360 10 5 DGBERN Cc1ccc([C@H]2COCCN2Cc2ccc([N+](=O)[O-])cc2C)o1 ZINC000183352113 432285046 /nfs/dbraw/zinc/28/50/46/432285046.db2.gz FUQKTULHNGAZSC-MRXNPFEDSA-N 0 0 316.357 3.378 10 5 DGBERN CCCC1CCC(N(C)C(=O)c2nn(CC)cc2[N+](=O)[O-])CC1 ZINC000191724443 432295268 /nfs/dbraw/zinc/29/52/68/432295268.db2.gz OJQVYLPHQRRDBI-UHFFFAOYSA-N 0 0 322.409 3.242 10 5 DGBERN CCc1cc(NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)n[nH]1 ZINC000192277844 432355173 /nfs/dbraw/zinc/35/51/73/432355173.db2.gz VJODDDZIPZNPSD-UHFFFAOYSA-N 0 0 303.322 3.141 10 5 DGBERN COc1cccc(F)c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000174489646 432352637 /nfs/dbraw/zinc/35/26/37/432352637.db2.gz VJPCPPNVZZBPKQ-JTQLQIEISA-N 0 0 318.304 3.234 10 5 DGBERN CC[C@@H](Nc1ncnc2onc(C)c21)c1cccc([N+](=O)[O-])c1 ZINC000192478668 432379535 /nfs/dbraw/zinc/37/95/35/432379535.db2.gz URRVRMSJBQIOSE-GFCCVEGCSA-N 0 0 313.317 3.398 10 5 DGBERN Cc1c(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)ccn1C ZINC000192542234 432385606 /nfs/dbraw/zinc/38/56/06/432385606.db2.gz YIMIIAGOLQLLPP-UHFFFAOYSA-N 0 0 313.357 3.047 10 5 DGBERN CC[C@H]1CN(c2ccccc2)CCN1c1ncc([N+](=O)[O-])s1 ZINC000192530889 432385715 /nfs/dbraw/zinc/38/57/15/432385715.db2.gz FHRWUBYTEZWKAG-LBPRGKRZSA-N 0 0 318.402 3.157 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)COCc1ccccc1 ZINC000192631803 432395131 /nfs/dbraw/zinc/39/51/31/432395131.db2.gz YJXFDWRQKCALSV-LBPRGKRZSA-N 0 0 318.377 3.137 10 5 DGBERN O=[N+]([O-])c1cccc(F)c1OCc1nc(C2CCCC2)no1 ZINC000185017065 432456414 /nfs/dbraw/zinc/45/64/14/432456414.db2.gz NIVDIDUDTGRKHC-UHFFFAOYSA-N 0 0 307.281 3.354 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1N1Cc2ccccc2C2(CC2)C1 ZINC000192793028 432415138 /nfs/dbraw/zinc/41/51/38/432415138.db2.gz RZJREJQSTGJBIF-UHFFFAOYSA-N 0 0 312.373 3.171 10 5 DGBERN CCCCCS(=O)(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000184638760 432416012 /nfs/dbraw/zinc/41/60/12/432416012.db2.gz CXWKKYWFEONCDL-AWEZNQCLSA-N 0 0 314.407 3.156 10 5 DGBERN Cc1cc(NC(=O)NC[C@](C)(O)CCC(C)C)ccc1[N+](=O)[O-] ZINC000153624577 432426036 /nfs/dbraw/zinc/42/60/36/432426036.db2.gz MCFFLWRRYJGSAR-MRXNPFEDSA-N 0 0 323.393 3.212 10 5 DGBERN COc1cccc(N2CCC(OCC(C)C)CC2)c1[N+](=O)[O-] ZINC000185223649 432479082 /nfs/dbraw/zinc/47/90/82/432479082.db2.gz GUMSMHOBDHZWJT-UHFFFAOYSA-N 0 0 308.378 3.245 10 5 DGBERN O=[N+]([O-])c1cc(F)ccc1N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186155887 432563786 /nfs/dbraw/zinc/56/37/86/432563786.db2.gz OMCVKSZTPVUQCH-AAEUAGOBSA-N 0 0 322.361 3.008 10 5 DGBERN CCOCCN(CC)C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000176709211 432544163 /nfs/dbraw/zinc/54/41/63/432544163.db2.gz GSAHKXWAKFWHIK-OAHLLOKOSA-N 0 0 323.393 3.114 10 5 DGBERN CC[C@H]1CCCCCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000155682756 432567541 /nfs/dbraw/zinc/56/75/41/432567541.db2.gz ROSXXKHJHCBDTE-ZDUSSCGKSA-N 0 0 306.362 3.398 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCCOC(C)C ZINC000273220320 432567993 /nfs/dbraw/zinc/56/79/93/432567993.db2.gz AQRDKXZGWJLXMD-WYMLVPIESA-N 0 0 320.389 3.272 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(Cc2ccccc2)CC1 ZINC000186277978 432577815 /nfs/dbraw/zinc/57/78/15/432577815.db2.gz FAECVBOQDMACQZ-UHFFFAOYSA-N 0 0 310.353 3.408 10 5 DGBERN Cc1cc([N+](=O)[O-])cn(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000155883992 432578381 /nfs/dbraw/zinc/57/83/81/432578381.db2.gz SFMPITHYFRJSSD-UHFFFAOYSA-N 0 0 312.247 3.132 10 5 DGBERN C[C@H](Cc1ccccc1)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000155965208 432584244 /nfs/dbraw/zinc/58/42/44/432584244.db2.gz MNYJXIRFRLMUMM-LLVKDONJSA-N 0 0 300.314 3.118 10 5 DGBERN CCC[C@H](NCc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000156577981 432599817 /nfs/dbraw/zinc/59/98/17/432599817.db2.gz ZCYBFZHRMJKZKC-AWEZNQCLSA-N 0 0 308.378 3.195 10 5 DGBERN COc1c(C)cc(CN(C)c2ncc([N+](=O)[O-])s2)cc1C ZINC000195512483 432624633 /nfs/dbraw/zinc/62/46/33/432624633.db2.gz XJPSPBAULJMVDW-UHFFFAOYSA-N 0 0 307.375 3.313 10 5 DGBERN CSc1ccccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000195524151 432626861 /nfs/dbraw/zinc/62/68/61/432626861.db2.gz BNYZWQAJKGHZOF-UHFFFAOYSA-N 0 0 303.343 3.272 10 5 DGBERN CC[C@@H](NC(=O)c1cc(Cl)cn1C)c1cccc([N+](=O)[O-])c1 ZINC000177781250 432661115 /nfs/dbraw/zinc/66/11/15/432661115.db2.gz FJXVLGYBZZWMKW-CYBMUJFWSA-N 0 0 321.764 3.468 10 5 DGBERN CCc1oc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1C ZINC000177851612 432668330 /nfs/dbraw/zinc/66/83/30/432668330.db2.gz SFNWPGJNTQHHNR-UHFFFAOYSA-N 0 0 302.330 3.331 10 5 DGBERN Cc1ccc(OCc2nc(-c3ccoc3)no2)cc1[N+](=O)[O-] ZINC000131607445 292658802 /nfs/dbraw/zinc/65/88/02/292658802.db2.gz GHHXYMSZBLPSHG-UHFFFAOYSA-N 0 0 301.258 3.125 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)c2ccc3c(c2)OCO3)n1 ZINC000178160940 432701631 /nfs/dbraw/zinc/70/16/31/432701631.db2.gz FEKSUVDHFLMVLR-JTQLQIEISA-N 0 0 301.302 3.200 10 5 DGBERN O=[N+]([O-])c1cc(Cl)c(NC[C@@H]2CCC[C@H]2O)c(Cl)c1 ZINC000226742438 432708895 /nfs/dbraw/zinc/70/88/95/432708895.db2.gz LHTBGLJXLFBJKE-WRWORJQWSA-N 0 0 305.161 3.475 10 5 DGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@H](c2ccc(F)cc2)O1 ZINC000266308893 432755812 /nfs/dbraw/zinc/75/58/12/432755812.db2.gz ZXQAISAETZIQKC-IAQYHMDHSA-N 0 0 317.320 3.095 10 5 DGBERN Cc1ccn(-c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000161264106 432769137 /nfs/dbraw/zinc/76/91/37/432769137.db2.gz MGXPLZCBAWKLKK-UHFFFAOYSA-N 0 0 322.324 3.341 10 5 DGBERN CCc1cc(C)c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000178483176 432742224 /nfs/dbraw/zinc/74/22/24/432742224.db2.gz NESXRLQSKSYKKV-UHFFFAOYSA-N 0 0 302.330 3.331 10 5 DGBERN CS[C@@H](C)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000161745019 432795041 /nfs/dbraw/zinc/79/50/41/432795041.db2.gz QCXHLNUTRHZSTI-VIFPVBQESA-N 0 0 305.359 3.141 10 5 DGBERN CC(C)COC1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000276523491 432814095 /nfs/dbraw/zinc/81/40/95/432814095.db2.gz GMQHVRGVQIUUDM-UHFFFAOYSA-N 0 0 319.405 3.204 10 5 DGBERN C[C@H]1COCC[C@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000277610791 432863748 /nfs/dbraw/zinc/86/37/48/432863748.db2.gz LUAVOKDPVDQJOU-WCBMZHEXSA-N 0 0 315.167 3.194 10 5 DGBERN C[C@@H]1COCC[C@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000277610784 432863835 /nfs/dbraw/zinc/86/38/35/432863835.db2.gz LUAVOKDPVDQJOU-PSASIEDQSA-N 0 0 315.167 3.194 10 5 DGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)COCc1ccccc1 ZINC000289038352 432915886 /nfs/dbraw/zinc/91/58/86/432915886.db2.gz ZARSPEXLMJBSSP-LBPRGKRZSA-N 0 0 318.377 3.137 10 5 DGBERN Cc1ccc(OCCCn2cc([N+](=O)[O-])cc(C)c2=O)cc1C ZINC000155793430 292716839 /nfs/dbraw/zinc/71/68/39/292716839.db2.gz ZFIAFMKIPBBXEL-UHFFFAOYSA-N 0 0 316.357 3.151 10 5 DGBERN Cc1sc(C(=O)NCCc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000156238163 292726500 /nfs/dbraw/zinc/72/65/00/292726500.db2.gz XPVIUHZCYZJUMX-UHFFFAOYSA-N 0 0 304.371 3.246 10 5 DGBERN Cc1c(Br)c(N[C@@H]2CC[C@H]2C)ncc1[N+](=O)[O-] ZINC000336685506 433180070 /nfs/dbraw/zinc/18/00/70/433180070.db2.gz DIVTYCKDEGDIFX-HTRCEHHLSA-N 0 0 300.156 3.271 10 5 DGBERN COc1cc(CCNc2ncc([N+](=O)[O-])cc2Cl)ccc1O ZINC000301279217 433485127 /nfs/dbraw/zinc/48/51/27/433485127.db2.gz NJMLXWXVBZTOMG-UHFFFAOYSA-N 0 0 323.736 3.012 10 5 DGBERN CC(C)OC(=O)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000301267727 433481139 /nfs/dbraw/zinc/48/11/39/433481139.db2.gz WVOAZQQLBKHESX-UHFFFAOYSA-N 0 0 307.350 3.016 10 5 DGBERN CCC[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000301438899 433556569 /nfs/dbraw/zinc/55/65/69/433556569.db2.gz LMRDKBXWFXMFIQ-DOMZBBRYSA-N 0 0 317.389 3.431 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N(C)CCc2cccs2)c1 ZINC000301469690 433570113 /nfs/dbraw/zinc/57/01/13/433570113.db2.gz IEDCACSBHBEVDF-UHFFFAOYSA-N 0 0 310.350 3.483 10 5 DGBERN CCc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1F ZINC000162081564 292846493 /nfs/dbraw/zinc/84/64/93/292846493.db2.gz KCNBLQBAGZDYMJ-UHFFFAOYSA-N 0 0 303.293 3.252 10 5 DGBERN CC[S@](=O)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000301577876 433617601 /nfs/dbraw/zinc/61/76/01/433617601.db2.gz TXDPZLSWXVOUKY-VUCVNMQBSA-N 0 0 310.419 3.395 10 5 DGBERN CC[N@@H+]1CCc2c(cccc2Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000301687485 433679084 /nfs/dbraw/zinc/67/90/84/433679084.db2.gz IPZRJBRGVRYUJD-UHFFFAOYSA-N 0 0 312.373 3.420 10 5 DGBERN Cc1ccc(Sc2n[nH]c(-c3ccncc3)n2)c([N+](=O)[O-])c1 ZINC000301827348 433743905 /nfs/dbraw/zinc/74/39/05/433743905.db2.gz PQJILDJAKUYOQO-UHFFFAOYSA-N 0 0 313.342 3.235 10 5 DGBERN CC(=O)c1cc(NCc2c(C)cc(C)[nH]c2=O)ccc1[N+](=O)[O-] ZINC000283652797 433756306 /nfs/dbraw/zinc/75/63/06/433756306.db2.gz VJRIGLQXEWTMJI-UHFFFAOYSA-N 0 0 315.329 3.127 10 5 DGBERN CCOC(=O)c1cc(N[C@@H]2CCC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000301785771 433723867 /nfs/dbraw/zinc/72/38/67/433723867.db2.gz PJLDCAFGQFHMBH-DGCLKSJQSA-N 0 0 322.361 3.141 10 5 DGBERN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H](c2ccco2)C1 ZINC000362588669 433772582 /nfs/dbraw/zinc/77/25/82/433772582.db2.gz MTVMDOQJMIWODZ-WCQYABFASA-N 0 0 317.345 3.140 10 5 DGBERN C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CCC1=O ZINC000302493528 433824596 /nfs/dbraw/zinc/82/45/96/433824596.db2.gz ZVRVNKIDPRPKOW-ZETCQYMHSA-N 0 0 303.145 3.317 10 5 DGBERN Cc1cc(N[C@H](C)c2nnc3n2CCCC3)ccc1[N+](=O)[O-] ZINC000301950054 433802484 /nfs/dbraw/zinc/80/24/84/433802484.db2.gz GHPSDGYKFSOFKV-LLVKDONJSA-N 0 0 301.350 3.004 10 5 DGBERN Cc1cc(C[C@H](C)Nc2nccc3c2cccc3[N+](=O)[O-])n[nH]1 ZINC000450398146 434154210 /nfs/dbraw/zinc/15/42/10/434154210.db2.gz WXXLPSZPRLINHS-JTQLQIEISA-N 0 0 311.345 3.218 10 5 DGBERN CO[C@H]1CC[C@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000450470521 434207246 /nfs/dbraw/zinc/20/72/46/434207246.db2.gz ANRMXJFCBNEVNI-AAEUAGOBSA-N 0 0 319.386 3.698 10 5 DGBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC12CCCC2 ZINC000450490908 434222737 /nfs/dbraw/zinc/22/27/37/434222737.db2.gz VEKOBXLBOBLVSW-AWEZNQCLSA-N 0 0 324.402 3.133 10 5 DGBERN Cc1c(Br)c(N[C@@H]2C[C@H]3C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000397746952 434439885 /nfs/dbraw/zinc/43/98/85/434439885.db2.gz KUNNNNJJSIBNRF-AYMMMOKOSA-N 0 0 312.167 3.271 10 5 DGBERN O=[N+]([O-])c1cnc(NC[C@@H]2C[C@H]2C2CC2)c(Br)c1 ZINC000450922930 434486940 /nfs/dbraw/zinc/48/69/40/434486940.db2.gz BDTIDYCCJGLDGW-WPRPVWTQSA-N 0 0 312.167 3.210 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(N2CCO[C@H](C3CCCCC3)C2)n1 ZINC000408199502 434549974 /nfs/dbraw/zinc/54/99/74/434549974.db2.gz SUQASDUILXLAAV-HNNXBMFYSA-N 0 0 305.378 3.084 10 5 DGBERN Cc1cc(N2CCO[C@@H](C3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000408199528 434550064 /nfs/dbraw/zinc/55/00/64/434550064.db2.gz SZFKSTSRKGXXMK-OAHLLOKOSA-N 0 0 305.378 3.084 10 5 DGBERN CCOc1ccc(C(=O)NCC2=CCCCC2)cc1[N+](=O)[O-] ZINC000452703966 434684657 /nfs/dbraw/zinc/68/46/57/434684657.db2.gz CCYLCMHQXAYQRG-UHFFFAOYSA-N 0 0 304.346 3.224 10 5 DGBERN COC(=O)c1cc(C)nc(Sc2ccccc2)c1[N+](=O)[O-] ZINC000555897722 434990417 /nfs/dbraw/zinc/99/04/17/434990417.db2.gz ZOJCEKOPTFLQSN-UHFFFAOYSA-N 0 0 304.327 3.236 10 5 DGBERN CC(=O)c1cc(OC(F)F)c(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575667378 435041866 /nfs/dbraw/zinc/04/18/66/435041866.db2.gz MRGBOFRESPDLBR-UHFFFAOYSA-N 0 0 315.150 3.297 10 5 DGBERN COc1ccc([N+](=O)[O-])c(Br)c1Br ZINC000575694974 435045787 /nfs/dbraw/zinc/04/57/87/435045787.db2.gz QTVCQPLXKXZXJB-UHFFFAOYSA-N 0 0 310.929 3.128 10 5 DGBERN CCOC(=O)Cc1c(CC)cc(Br)cc1[N+](=O)[O-] ZINC000575700845 435048254 /nfs/dbraw/zinc/04/82/54/435048254.db2.gz VSHGOEFPBXIXSP-UHFFFAOYSA-N 0 0 316.151 3.025 10 5 DGBERN COC(=O)c1cc(C)nc(N(C)[C@H]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000561141189 435203128 /nfs/dbraw/zinc/20/31/28/435203128.db2.gz FHNRLTDUJCWMBF-JQWIXIFHSA-N 0 0 321.377 3.100 10 5 DGBERN O=C(c1ccccc1[N+](=O)[O-])N1CCCC[C@H]1c1nccs1 ZINC000173381734 304568243 /nfs/dbraw/zinc/56/82/43/304568243.db2.gz VYYLIORPSLMUBK-ZDUSSCGKSA-N 0 0 317.370 3.419 10 5 DGBERN C[C@@]12CCN(c3ncc([N+](=O)[O-])cc3Cl)C[C@@H]1C2(F)F ZINC000514983900 435453781 /nfs/dbraw/zinc/45/37/81/435453781.db2.gz NJDGXJMIVQJRCT-GXSJLCMTSA-N 0 0 303.696 3.125 10 5 DGBERN CS[C@@H](C)CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000570856749 435655483 /nfs/dbraw/zinc/65/54/83/435655483.db2.gz FLEAYFGQIRZIHL-ZETCQYMHSA-N 0 0 322.308 3.095 10 5 DGBERN O=C(Cc1ccc(Cl)c(F)c1)NCc1cccc([N+](=O)[O-])c1 ZINC000548715223 435711494 /nfs/dbraw/zinc/71/14/94/435711494.db2.gz INVNUZAFZBVRLO-UHFFFAOYSA-N 0 0 322.723 3.246 10 5 DGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000293670013 302038841 /nfs/dbraw/zinc/03/88/41/302038841.db2.gz NNXRWSKAHWFCSJ-SMDDNHRTSA-N 0 0 310.300 3.021 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1ccsc1 ZINC000171447096 312720544 /nfs/dbraw/zinc/72/05/44/312720544.db2.gz VMOBSSLFBIGGPY-JTQLQIEISA-N 0 0 302.355 3.177 10 5 DGBERN CC(=O)c1cc([N+](=O)[O-])ccc1OCCOc1ccc(F)cc1 ZINC000535364347 313711494 /nfs/dbraw/zinc/71/14/94/313711494.db2.gz PKGOGDNAQWZIJD-UHFFFAOYSA-N 0 0 319.288 3.394 10 5 DGBERN CN(C[C@@H]1CC=CCC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000542270047 314066794 /nfs/dbraw/zinc/06/67/94/314066794.db2.gz UHJMBNUXVIIOFV-OAHLLOKOSA-N 0 0 317.389 3.135 10 5 DGBERN CNc1ccc(C(=O)N(C)C[C@@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000543355159 314129016 /nfs/dbraw/zinc/12/90/16/314129016.db2.gz CVDTUBLFXVICQR-GFCCVEGCSA-N 0 0 303.362 3.065 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(OCCOc2ccc(F)cc2)n1 ZINC000543844266 314160674 /nfs/dbraw/zinc/16/06/74/314160674.db2.gz JMXJGCAKTOODFH-UHFFFAOYSA-N 0 0 306.293 3.204 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@H]2CCCN(c3ccccc3F)C2)cn1 ZINC000556596894 314763861 /nfs/dbraw/zinc/76/38/61/314763861.db2.gz UMGUAXAZYHKASL-ZDUSSCGKSA-N 0 0 316.336 3.210 10 5 DGBERN COc1ccc(F)c(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000558691717 314858601 /nfs/dbraw/zinc/85/86/01/314858601.db2.gz FNWGIFGOARSQGJ-JTQLQIEISA-N 0 0 318.304 3.485 10 5 DGBERN COC(=O)c1cc(C)nc(Sc2cccs2)c1[N+](=O)[O-] ZINC000562778300 315052777 /nfs/dbraw/zinc/05/27/77/315052777.db2.gz LYVOGXAUKSDQPH-UHFFFAOYSA-N 0 0 310.356 3.298 10 5 DGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H]1C1CCC1 ZINC000572576478 315802276 /nfs/dbraw/zinc/80/22/76/315802276.db2.gz ZHYPGLZBQVLGBK-HNNXBMFYSA-N 0 0 324.327 3.207 10 5 DGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1c[nH]c2cc(F)ccc12 ZINC000181160831 323247503 /nfs/dbraw/zinc/24/75/03/323247503.db2.gz RJKHQAUUUWQUGW-UHFFFAOYSA-N 0 0 313.288 3.145 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1C(=O)OC(C)(C)C ZINC000183330425 323334069 /nfs/dbraw/zinc/33/40/69/323334069.db2.gz LWLBCTBQPPYFJX-HNNXBMFYSA-N 0 0 320.389 3.209 10 5 DGBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1c[nH]c2cc(F)ccc12 ZINC000192926500 323459582 /nfs/dbraw/zinc/45/95/82/323459582.db2.gz MSOFOAFNXMVPIF-UHFFFAOYSA-N 0 0 313.288 3.145 10 5 DGBERN Cc1cc(N2CCOCC3(CC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000581449166 324118948 /nfs/dbraw/zinc/11/89/48/324118948.db2.gz HKGRCHQRQJYMSH-UHFFFAOYSA-N 0 0 313.357 3.068 10 5 DGBERN O=CN[C@H](Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000584604316 337371354 /nfs/dbraw/zinc/37/13/54/337371354.db2.gz YIIKWLQEDODGKX-CQSZACIVSA-N 0 0 304.733 3.278 10 5 DGBERN Cc1cccc(C)c1OC[C@@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000517777902 500981855 /nfs/dbraw/zinc/98/18/55/500981855.db2.gz NFVIHDMSUXDHCT-CYBMUJFWSA-N 0 0 301.346 3.486 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CC[C@H](SC)C2)c1 ZINC000301470234 533996399 /nfs/dbraw/zinc/99/63/99/533996399.db2.gz ISAQVUUYOFLRDE-SCZZXKLOSA-N 0 0 300.355 3.439 10 5 DGBERN C[C@@H]1CC(=O)Oc2cc(Oc3ncccc3[N+](=O)[O-])ccc21 ZINC000302809760 534141086 /nfs/dbraw/zinc/14/10/86/534141086.db2.gz GQSOIIXIQZTUJR-SECBINFHSA-N 0 0 300.270 3.195 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2cccc(F)c2)c1 ZINC000302075406 534244571 /nfs/dbraw/zinc/24/45/71/534244571.db2.gz GVWFUHKIADIKQN-UHFFFAOYSA-N 0 0 318.304 3.157 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc(C(C)=O)cc2)c1 ZINC000302117194 534247347 /nfs/dbraw/zinc/24/73/47/534247347.db2.gz WNLFWXPDJAKJAK-UHFFFAOYSA-N 0 0 315.281 3.376 10 5 DGBERN Cc1nc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc(C2CC2)n1 ZINC000160154416 534484665 /nfs/dbraw/zinc/48/46/65/534484665.db2.gz PIAMWWKFZAZLCO-UHFFFAOYSA-N 0 0 312.329 3.131 10 5 DGBERN Cc1c(COc2ccccc2-c2nc[nH]n2)cccc1[N+](=O)[O-] ZINC000158107664 525732970 /nfs/dbraw/zinc/73/29/70/525732970.db2.gz DQLSBYJSVSCKTD-UHFFFAOYSA-N 0 0 310.313 3.267 10 5 DGBERN CC(C)(CNc1cc(CO)ccc1[N+](=O)[O-])CC1CCOCC1 ZINC000302031415 527181370 /nfs/dbraw/zinc/18/13/70/527181370.db2.gz KCSRPGMZNVNEKM-UHFFFAOYSA-N 0 0 322.405 3.342 10 5 DGBERN O=[N+]([O-])c1cnc(NCCC[C@@H]2CCCC[C@H]2O)c(Cl)c1 ZINC000154461717 527410035 /nfs/dbraw/zinc/41/00/35/527410035.db2.gz BRHFXUAOALMFOB-GXFFZTMASA-N 0 0 313.785 3.386 10 5 DGBERN CC1(C)CCCC[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000469172271 535294274 /nfs/dbraw/zinc/29/42/74/535294274.db2.gz YTFXYVIDEOXSRG-HNNXBMFYSA-N 0 0 304.390 3.470 10 5 DGBERN COc1ccc([N+](=O)[O-])c(C(=O)NCC2CCCCCC2)c1 ZINC000452798533 536950271 /nfs/dbraw/zinc/95/02/71/536950271.db2.gz XBYBDBUIDDIIEQ-UHFFFAOYSA-N 0 0 306.362 3.304 10 5 DGBERN O=C(OCCc1ccccc1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000725934305 575970366 /nfs/dbraw/zinc/97/03/66/575970366.db2.gz BDMXVHPVLMJZQE-UHFFFAOYSA-N 0 0 307.252 3.273 10 5 DGBERN CCOc1ccc(C(=O)Oc2cccc(F)c2F)cc1[N+](=O)[O-] ZINC000727793751 576145933 /nfs/dbraw/zinc/14/59/33/576145933.db2.gz FNZLEWKCRLRRBH-UHFFFAOYSA-N 0 0 323.251 3.491 10 5 DGBERN Cc1ccc2c(c1)OCCN2C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000154810045 620724938 /nfs/dbraw/zinc/72/49/38/620724938.db2.gz FUTLIUUJTJXCNW-UHFFFAOYSA-N 0 0 312.325 3.251 10 5 DGBERN Cc1cc(C(=O)N(C)Cc2ccc(Cl)nc2)ccc1[N+](=O)[O-] ZINC000023891213 617827598 /nfs/dbraw/zinc/82/75/98/617827598.db2.gz USWFBGLRPZDZCC-UHFFFAOYSA-N 0 0 319.748 3.224 10 5 DGBERN Cc1c(C(=O)N(C)Cc2ccc(Cl)nc2)cccc1[N+](=O)[O-] ZINC000023891305 617827604 /nfs/dbraw/zinc/82/76/04/617827604.db2.gz BHPGZAAVKUEZPJ-UHFFFAOYSA-N 0 0 319.748 3.224 10 5 DGBERN CCOc1cccc(COC(=O)c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000128951892 625337343 /nfs/dbraw/zinc/33/73/43/625337343.db2.gz RANNEPYKXQLXAK-UHFFFAOYSA-N 0 0 322.342 3.115 10 5 DGBERN O=C(NCCc1ccsc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149142642 620088987 /nfs/dbraw/zinc/08/89/87/620088987.db2.gz GLRPTDTUXXTIMS-UHFFFAOYSA-N 0 0 310.762 3.282 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1OC[C@@H](O)c1cc(C)cc(C)c1 ZINC000153514093 620573595 /nfs/dbraw/zinc/57/35/95/620573595.db2.gz FZGNLFKMQOJOTP-OAHLLOKOSA-N 0 0 317.341 3.333 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccnc1Cl ZINC000103377506 621356321 /nfs/dbraw/zinc/35/63/21/621356321.db2.gz SMVHAABDOIPAPG-VIFPVBQESA-N 0 0 317.732 3.235 10 5 DGBERN O=Cc1ccc([N+](=O)[O-])c(OCc2nc(C3CCCC3)no2)c1 ZINC000119219538 621631402 /nfs/dbraw/zinc/63/14/02/621631402.db2.gz XIFDJCWOXIWUJN-UHFFFAOYSA-N 0 0 317.301 3.027 10 5 DGBERN COCCC1(C(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000124906116 623250296 /nfs/dbraw/zinc/25/02/96/623250296.db2.gz FNDFYAJYHNOZCH-LBPRGKRZSA-N 0 0 307.346 3.324 10 5 DGBERN C[C@@H]1CCC[C@@H](C)N1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000105580205 627541290 /nfs/dbraw/zinc/54/12/90/627541290.db2.gz CVXVKPHUXRMMEA-NXEZZACHSA-N 0 0 311.769 3.156 10 5 DGBERN Cc1nn(CCC(=O)O[C@@H](C)C2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000102596926 630160345 /nfs/dbraw/zinc/16/03/45/630160345.db2.gz NMJVDLKTAMTCKH-ZDUSSCGKSA-N 0 0 323.393 3.310 10 5 DGBERN O=C(NCC[C@H]1CC1(F)F)c1cc([N+](=O)[O-])ccc1Cl ZINC000701992619 660696452 /nfs/dbraw/zinc/69/64/52/660696452.db2.gz GVWUAVDTAKLFRT-ZETCQYMHSA-N 0 0 304.680 3.023 10 5 DGBERN O=C(NCC[C@@H]1CCSC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000704848388 660822533 /nfs/dbraw/zinc/82/25/33/660822533.db2.gz LSJQYTPOTJFGPE-SECBINFHSA-N 0 0 314.794 3.121 10 5 DGBERN O=[N+]([O-])c1cc2c(ncnc2NCC[C@H]2CCSC2)s1 ZINC000704875709 660822973 /nfs/dbraw/zinc/82/29/73/660822973.db2.gz UESPVDIUSHDHJO-QMMMGPOBSA-N 0 0 310.404 3.155 10 5 DGBERN COc1cc(NCC[C@@H]2CCSC2)c(F)cc1[N+](=O)[O-] ZINC000704869105 660823299 /nfs/dbraw/zinc/82/32/99/660823299.db2.gz UJRRZRNGMFIJSP-SECBINFHSA-N 0 0 300.355 3.298 10 5 DGBERN CC(C)(C)[S@](C)(=O)=NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000710155209 660932173 /nfs/dbraw/zinc/93/21/73/660932173.db2.gz QQDDWOBPTJPFFQ-FQEVSTJZSA-N 0 0 318.782 3.285 10 5 DGBERN Cc1c([N+](=O)[O-])cc(C(=O)NCCC2=CCCC2)cc1[N+](=O)[O-] ZINC000160327208 655608165 /nfs/dbraw/zinc/60/81/65/655608165.db2.gz PVDNFOYDIOQCLQ-UHFFFAOYSA-N 0 0 319.317 3.042 10 5 DGBERN Cc1c(NS(=O)(=O)/C=C\c2ccccc2)cccc1[N+](=O)[O-] ZINC000255501966 655774782 /nfs/dbraw/zinc/77/47/82/655774782.db2.gz 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COC(=O)C[C@@H](C)Sc1c2ccccc2ncc1[N+](=O)[O-] ZINC000130338369 432021401 /nfs/dbraw/zinc/02/14/01/432021401.db2.gz AKWFXXKMECKLEZ-SECBINFHSA-N 0 0 306.343 3.187 10 5 DGBERN Cc1sc(C(=O)NC[C@@H](C)Oc2ccccc2)cc1[N+](=O)[O-] ZINC000070910350 190923347 /nfs/dbraw/zinc/92/33/47/190923347.db2.gz NGTAQKQEVUONIH-SNVBAGLBSA-N 0 0 320.370 3.162 10 5 DGBERN COC(=O)c1cc(OCc2ccccc2)c(C)c([N+](=O)[O-])c1 ZINC000141031457 186029445 /nfs/dbraw/zinc/02/94/45/186029445.db2.gz ZOOLNTOHCAXYOE-UHFFFAOYSA-N 0 0 301.298 3.269 10 5 DGBERN O=[N+]([O-])c1cccc(OCc2nc(-c3cccs3)n[nH]2)c1 ZINC000072236774 191080723 /nfs/dbraw/zinc/08/07/23/191080723.db2.gz UUXGGQAKBFXDCT-UHFFFAOYSA-N 0 0 302.315 3.020 10 5 DGBERN CCC[C@@H]1C[C@H]1Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000301416465 186732030 /nfs/dbraw/zinc/73/20/30/186732030.db2.gz CBSSCDFNSWIETA-QMTHXVAHSA-N 0 0 303.362 3.088 10 5 DGBERN CCn1nc(C)c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1C ZINC000172814939 198152915 /nfs/dbraw/zinc/15/29/15/198152915.db2.gz 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181229189 /nfs/dbraw/zinc/22/91/89/181229189.db2.gz DHZDVQKTTUUXBJ-UHFFFAOYSA-N 0 0 320.276 3.003 10 5 DGBERN Cc1c(CN(C)[C@H](C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000081567015 192292876 /nfs/dbraw/zinc/29/28/76/192292876.db2.gz DITUNBSHCNZNJL-GFCCVEGCSA-N 0 0 308.378 3.065 10 5 DGBERN CC[C@H](NC(=O)c1cc(C2CC2)on1)c1cccc([N+](=O)[O-])c1 ZINC000177790874 198777012 /nfs/dbraw/zinc/77/70/12/198777012.db2.gz FJRJFFWGOXNEIO-ZDUSSCGKSA-N 0 0 315.329 3.341 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCS[C@@H](C)C1 ZINC000179542457 199052469 /nfs/dbraw/zinc/05/24/69/199052469.db2.gz UFKBNDFXYLCPNP-NSHDSACASA-N 0 0 308.403 3.098 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1CNc1nnc(C(F)F)s1 ZINC000184857854 199775098 /nfs/dbraw/zinc/77/50/98/199775098.db2.gz BERTYFOGXKBJRJ-UHFFFAOYSA-N 0 0 300.290 3.304 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1CCCCO1 ZINC000185699398 199879018 /nfs/dbraw/zinc/87/90/18/199879018.db2.gz UUPVFAYVZCQTAD-BFFYNSAMSA-N 0 0 318.373 3.074 10 5 DGBERN CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@@H](O)CC1CCCC1 ZINC000276403179 212855963 /nfs/dbraw/zinc/85/59/63/212855963.db2.gz AEXQNJNVERVUNP-AWEZNQCLSA-N 0 0 307.346 3.117 10 5 DGBERN Cc1c(C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000237799837 202357442 /nfs/dbraw/zinc/35/74/42/202357442.db2.gz ZSHZULJRDUWJEQ-RCBQFDQVSA-N 0 0 318.373 3.121 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H](c2nccs2)C1 ZINC000170890610 432086706 /nfs/dbraw/zinc/08/67/06/432086706.db2.gz NZPKYVWOVZBQNV-VIFPVBQESA-N 0 0 323.399 3.133 10 5 DGBERN CO[C@@H](C)c1nc(CN(C)c2ncc([N+](=O)[O-])cc2C)cs1 ZINC000301584828 229758815 /nfs/dbraw/zinc/75/88/15/229758815.db2.gz VQNJROZGIFMMAL-JTQLQIEISA-N 0 0 322.390 3.099 10 5 DGBERN Cc1ccc(OCC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000005970420 181302416 /nfs/dbraw/zinc/30/24/16/181302416.db2.gz PWRNHQLMUUSKMT-UHFFFAOYSA-N 0 0 306.705 3.213 10 5 DGBERN COc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1C(C)=O ZINC000180712146 432096921 /nfs/dbraw/zinc/09/69/21/432096921.db2.gz PYKXGJWYTNSEJJ-UHFFFAOYSA-N 0 0 301.298 3.385 10 5 DGBERN COC1(c2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)CCCC1 ZINC000445398769 239409679 /nfs/dbraw/zinc/40/96/79/239409679.db2.gz YPEGUCORDPMQRV-UHFFFAOYSA-N 0 0 307.281 3.200 10 5 DGBERN O=[N+]([O-])c1ccc(NC2(Cc3ccccc3)CCOCC2)cn1 ZINC000450894068 240915824 /nfs/dbraw/zinc/91/58/24/240915824.db2.gz DTTULLMZQMSZTD-UHFFFAOYSA-N 0 0 313.357 3.194 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000281942450 216648457 /nfs/dbraw/zinc/64/84/57/216648457.db2.gz RSKWAZJBEGGZQB-CPUCHLNUSA-N 0 0 304.390 3.423 10 5 DGBERN CC[C@H](NC(=O)c1c(C)ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000190027963 432114322 /nfs/dbraw/zinc/11/43/22/432114322.db2.gz VZQBHZLVBISLSR-AWEZNQCLSA-N 0 0 301.346 3.123 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(F)c(F)c1 ZINC000103377021 284028656 /nfs/dbraw/zinc/02/86/56/284028656.db2.gz MPBVEYFPNOBFBX-SECBINFHSA-N 0 0 318.279 3.464 10 5 DGBERN Cc1ccc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1 ZINC000103376959 284028789 /nfs/dbraw/zinc/02/87/89/284028789.db2.gz MDOKKOJMOQVYOH-ZDUSSCGKSA-N 0 0 310.353 3.424 10 5 DGBERN CC(C)[C@@H](C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000119990019 284157687 /nfs/dbraw/zinc/15/76/87/284157687.db2.gz GIEWVKXKUWSSET-GFCCVEGCSA-N 0 0 305.378 3.313 10 5 DGBERN CC(C)[C@H](C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000119990153 284158108 /nfs/dbraw/zinc/15/81/08/284158108.db2.gz GIEWVKXKUWSSET-LBPRGKRZSA-N 0 0 305.378 3.313 10 5 DGBERN COC(=O)c1cc(N[C@H]2CCOC(C)(C)C2)cc(C)c1[N+](=O)[O-] ZINC000160678695 197431552 /nfs/dbraw/zinc/43/15/52/197431552.db2.gz MQXLIDJXFIMJFD-NSHDSACASA-N 0 0 322.361 3.059 10 5 DGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCOc2ccccc21 ZINC000129190399 284401383 /nfs/dbraw/zinc/40/13/83/284401383.db2.gz HBPKYYUWPHQDOL-UHFFFAOYSA-N 0 0 318.716 3.287 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CCO[C@H](C3CC3)C2)c1 ZINC000160372788 197403967 /nfs/dbraw/zinc/40/39/67/197403967.db2.gz NIYKRFQZBZFANM-YGRLFVJLSA-N 0 0 310.325 3.112 10 5 DGBERN Cc1cc(C(=O)Nc2nccn2CC(C)C)cc([N+](=O)[O-])c1 ZINC000149916523 284531894 /nfs/dbraw/zinc/53/18/94/284531894.db2.gz RNOPRTKTANAHHU-UHFFFAOYSA-N 0 0 302.334 3.008 10 5 DGBERN CO[C@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC[C@H]1C ZINC000190266804 432139224 /nfs/dbraw/zinc/13/92/24/432139224.db2.gz DABNGNANFIOVLT-YGRLFVJLSA-N 0 0 321.377 3.100 10 5 DGBERN COc1ccccc1C[C@@H]1CCCN1c1ncc([N+](=O)[O-])s1 ZINC000190322532 432143603 /nfs/dbraw/zinc/14/36/03/432143603.db2.gz WXGMCIBSEFHKBH-LBPRGKRZSA-N 0 0 319.386 3.271 10 5 DGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCCC1=CCCC1 ZINC000152476485 284623650 /nfs/dbraw/zinc/62/36/50/284623650.db2.gz MDURDQUGKHTFMM-UHFFFAOYSA-N 0 0 317.389 3.404 10 5 DGBERN O=[N+]([O-])c1c(NCc2ccco2)ncnc1Oc1ccccc1 ZINC000040645519 183113205 /nfs/dbraw/zinc/11/32/05/183113205.db2.gz JUQINKSROIXAKO-UHFFFAOYSA-N 0 0 312.285 3.382 10 5 DGBERN CCCNc1ncnc(N(CC)c2ccccc2)c1[N+](=O)[O-] ZINC000040573223 183104668 /nfs/dbraw/zinc/10/46/68/183104668.db2.gz MNGPXSGJHXDMEU-UHFFFAOYSA-N 0 0 301.350 3.365 10 5 DGBERN Cc1ccc(Nc2ncnc(N3CCCC3)c2[N+](=O)[O-])cc1C ZINC000040589930 183105520 /nfs/dbraw/zinc/10/55/20/183105520.db2.gz CDTVJLHHZJUDJC-UHFFFAOYSA-N 0 0 313.361 3.345 10 5 DGBERN CCc1ccc(Nc2ncnc(OC(C)C)c2[N+](=O)[O-])cc1 ZINC000040587362 183105854 /nfs/dbraw/zinc/10/58/54/183105854.db2.gz LSVJEMJMTPIRIW-UHFFFAOYSA-N 0 0 302.334 3.478 10 5 DGBERN CCc1ccccc1Nc1ncnc(N2CCCC2)c1[N+](=O)[O-] ZINC000040586999 183105967 /nfs/dbraw/zinc/10/59/67/183105967.db2.gz BDDILZQUDPGVTP-UHFFFAOYSA-N 0 0 313.361 3.291 10 5 DGBERN CNc1ncnc(Oc2cc(C)c(Cl)c(C)c2)c1[N+](=O)[O-] ZINC000040595931 183106747 /nfs/dbraw/zinc/10/67/47/183106747.db2.gz MOUYVJHLUVRMTB-UHFFFAOYSA-N 0 0 308.725 3.489 10 5 DGBERN CNc1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-] ZINC000040595722 183106918 /nfs/dbraw/zinc/10/69/18/183106918.db2.gz NFSKJCVDUDTYRM-UHFFFAOYSA-N 0 0 314.132 3.477 10 5 DGBERN CCCNc1ncnc(Oc2ccccc2OC)c1[N+](=O)[O-] ZINC000040597238 183107046 /nfs/dbraw/zinc/10/70/46/183107046.db2.gz CUBITCVDYNFNKG-UHFFFAOYSA-N 0 0 304.306 3.008 10 5 DGBERN O=[N+]([O-])c1c(NC2CCCCCC2)ncnc1N1CCCC1 ZINC000040609326 183108705 /nfs/dbraw/zinc/10/87/05/183108705.db2.gz VNGZKGBRNAANBQ-UHFFFAOYSA-N 0 0 305.382 3.120 10 5 DGBERN O=[N+]([O-])c1cnccc1NCc1cccc(Br)c1 ZINC000042419059 183267892 /nfs/dbraw/zinc/26/78/92/183267892.db2.gz BJDQRMUOEIIYGT-UHFFFAOYSA-N 0 0 308.135 3.364 10 5 DGBERN C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000105713579 194121081 /nfs/dbraw/zinc/12/10/81/194121081.db2.gz IWVXVHBTVICICW-LLVKDONJSA-N 0 0 323.345 3.410 10 5 DGBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCO[C@H]2CCCC[C@@H]21 ZINC000109742603 194282053 /nfs/dbraw/zinc/28/20/53/194282053.db2.gz IXMACBCMUUODQD-AAEUAGOBSA-N 0 0 324.764 3.032 10 5 DGBERN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1C[C@H]1c1ccccc1 ZINC000110445647 194331271 /nfs/dbraw/zinc/33/12/71/194331271.db2.gz AWZGZIZNDGCVLJ-CVEARBPZSA-N 0 0 310.353 3.057 10 5 DGBERN O=C(N[C@H]1CCc2cc(Cl)ccc21)c1ccc([N+](=O)[O-])o1 ZINC000056350814 184011135 /nfs/dbraw/zinc/01/11/35/184011135.db2.gz TZMQMMRGGMVFFQ-NSHDSACASA-N 0 0 306.705 3.259 10 5 DGBERN CC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1C)c1nccs1 ZINC000154299116 252641139 /nfs/dbraw/zinc/64/11/39/252641139.db2.gz XZJLGFPIPJGBJO-HNNXBMFYSA-N 0 0 319.386 3.415 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCS[C@@H](C)C1 ZINC000120190777 195116135 /nfs/dbraw/zinc/11/61/35/195116135.db2.gz FXOGPHXSEHKVFG-NSHDSACASA-N 0 0 309.391 3.181 10 5 DGBERN CC(=O)c1cc(N[C@H](CO)c2ccsc2)ccc1[N+](=O)[O-] ZINC000342881559 254070475 /nfs/dbraw/zinc/07/04/75/254070475.db2.gz HTAZYECZUISIDI-CYBMUJFWSA-N 0 0 306.343 3.004 10 5 DGBERN CC(=O)c1cc(N2CCC[C@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000342802657 254054407 /nfs/dbraw/zinc/05/44/07/254054407.db2.gz OXQVCWJXMXWHGT-UONOGXRCSA-N 0 0 318.373 3.050 10 5 DGBERN CCCCOCCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000120324479 195144028 /nfs/dbraw/zinc/14/40/28/195144028.db2.gz RGOXVJRPSQTXAJ-UHFFFAOYSA-N 0 0 319.361 3.013 10 5 DGBERN Cc1nc(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)no1 ZINC000124800110 195681316 /nfs/dbraw/zinc/68/13/16/195681316.db2.gz AUCKJNLIHBGORM-UHFFFAOYSA-N 0 0 303.105 3.205 10 5 DGBERN COc1cc(C)ccc1CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302075130 533673196 /nfs/dbraw/zinc/67/31/96/533673196.db2.gz XOSJRZZPJANMMA-UHFFFAOYSA-N 0 0 302.330 3.016 10 5 DGBERN O=[N+]([O-])c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)o1 ZINC000005351155 400087670 /nfs/dbraw/zinc/08/76/70/400087670.db2.gz HHJFUCDUZDFOFO-UHFFFAOYSA-N 0 0 300.230 3.153 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccccc1C ZINC000017963906 400181320 /nfs/dbraw/zinc/18/13/20/400181320.db2.gz CIFQKVQPOGEAIY-GFCCVEGCSA-N 0 0 314.341 3.403 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(SC(=S)N2CCCC2)c1 ZINC000092582511 400183706 /nfs/dbraw/zinc/18/37/06/400183706.db2.gz NHSHVNROJJQGFO-UHFFFAOYSA-N 0 0 316.379 3.215 10 5 DGBERN Cn1ccnc1C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000610282333 400234445 /nfs/dbraw/zinc/23/44/45/400234445.db2.gz LAXFZGBVKLJRGX-HNNXBMFYSA-N 0 0 323.356 3.119 10 5 DGBERN C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000609796760 400192021 /nfs/dbraw/zinc/19/20/21/400192021.db2.gz NSJGJZQWTLPZMV-CJNGLKHVSA-N 0 0 312.373 3.237 10 5 DGBERN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccncc1 ZINC000610526816 400271348 /nfs/dbraw/zinc/27/13/48/400271348.db2.gz YZKQNDVLPPPUQI-SNVBAGLBSA-N 0 0 319.748 3.177 10 5 DGBERN C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccncc1 ZINC000610525879 400271790 /nfs/dbraw/zinc/27/17/90/400271790.db2.gz AQTWKMCVWBAYEY-SNVBAGLBSA-N 0 0 319.748 3.177 10 5 DGBERN Cc1c(NC(=O)NC[C@@H](C)c2ccncc2)cccc1[N+](=O)[O-] ZINC000610530412 400273110 /nfs/dbraw/zinc/27/31/10/400273110.db2.gz LFVOOILYXNXNSR-LLVKDONJSA-N 0 0 314.345 3.223 10 5 DGBERN O=[N+]([O-])c1cc(F)c(OC(F)(F)F)c(Br)c1 ZINC000396055180 400282065 /nfs/dbraw/zinc/28/20/65/400282065.db2.gz JXHZETAPBNZMFT-UHFFFAOYSA-N 0 0 303.993 3.395 10 5 DGBERN O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403323092 400293842 /nfs/dbraw/zinc/29/38/42/400293842.db2.gz AMJXLRLKJUHRMP-OYNCUSHFSA-N 0 0 312.167 3.353 10 5 DGBERN CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(F)cc1 ZINC000102636591 400302006 /nfs/dbraw/zinc/30/20/06/400302006.db2.gz PDDFFQDJOINYQA-UHFFFAOYSA-N 0 0 313.288 3.492 10 5 DGBERN Cc1ccc(CCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000029889135 400317471 /nfs/dbraw/zinc/31/74/71/400317471.db2.gz ADBYETPBPQTZPX-UHFFFAOYSA-N 0 0 310.353 3.425 10 5 DGBERN C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CCCO1 ZINC000029958653 400319066 /nfs/dbraw/zinc/31/90/66/400319066.db2.gz ISCJSCGYFXMSCK-SKDRFNHKSA-N 0 0 320.370 3.107 10 5 DGBERN C=C/C(C)=C\CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000589952911 400341805 /nfs/dbraw/zinc/34/18/05/400341805.db2.gz ZPKRPHRPRKCMSD-QCDXTXTGSA-N 0 0 313.357 3.257 10 5 DGBERN Cc1cc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)cc([N+](=O)[O-])c1 ZINC000589993356 400346800 /nfs/dbraw/zinc/34/68/00/400346800.db2.gz WYATUWFMODFCFQ-GXTWGEPZSA-N 0 0 310.300 3.021 10 5 DGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C(C)(C)C)cc1OC ZINC000112249907 400372185 /nfs/dbraw/zinc/37/21/85/400372185.db2.gz CAGDGNFLKJWQLF-SNVBAGLBSA-N 0 0 324.377 3.167 10 5 DGBERN Cc1cc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(C)[nH]1 ZINC000611499392 400411025 /nfs/dbraw/zinc/41/10/25/400411025.db2.gz VZIVTGMNHKXISG-UHFFFAOYSA-N 0 0 321.764 3.166 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCc3c(F)cc(F)cc3C2)n1 ZINC000611617174 400428882 /nfs/dbraw/zinc/42/88/82/400428882.db2.gz MOJVBILDRRRAFH-UHFFFAOYSA-N 0 0 319.311 3.448 10 5 DGBERN C[C@H](c1ccncc1)N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130183110 400535454 /nfs/dbraw/zinc/53/54/54/400535454.db2.gz SGICAFVYFXDIBI-LLVKDONJSA-N 0 0 324.340 3.304 10 5 DGBERN CCN1C(=O)CCc2cc(Nc3cccnc3[N+](=O)[O-])ccc21 ZINC000612664197 400583003 /nfs/dbraw/zinc/58/30/03/400583003.db2.gz MVSZJCNUUMKBNP-UHFFFAOYSA-N 0 0 312.329 3.033 10 5 DGBERN CCCC[C@H](N[C@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000135240551 400585253 /nfs/dbraw/zinc/58/52/53/400585253.db2.gz FTJWOCCAHFZHBD-CABCVRRESA-N 0 0 308.378 3.367 10 5 DGBERN CC(=O)C(C)(C)CCc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000618410923 400585275 /nfs/dbraw/zinc/58/52/75/400585275.db2.gz AGQUWEKULJRGLM-UHFFFAOYSA-N 0 0 309.347 3.254 10 5 DGBERN Cc1c(NCc2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000144419480 400642001 /nfs/dbraw/zinc/64/20/01/400642001.db2.gz OMNOGHCTPXTWBT-UHFFFAOYSA-N 0 0 300.314 3.287 10 5 DGBERN Cc1cc([C@H]2CN(C(=O)OC(C)(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000145279245 400644973 /nfs/dbraw/zinc/64/49/73/400644973.db2.gz CGPZXHBIVPKXGM-CQSZACIVSA-N 0 0 322.361 3.212 10 5 DGBERN CC(=O)CCCc1cn([C@@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603251358 400660888 /nfs/dbraw/zinc/66/08/88/400660888.db2.gz OLQGRPHLEAVTIH-ZDUSSCGKSA-N 0 0 316.361 3.016 10 5 DGBERN CO[C@@H](C)c1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000170729366 400772361 /nfs/dbraw/zinc/77/23/61/400772361.db2.gz ZRGVVFLZTNMIPE-NSHDSACASA-N 0 0 315.329 3.258 10 5 DGBERN O=C(c1ccccc1[N+](=O)[O-])N(C[C@@H]1CCCO1)C1CCCC1 ZINC000174543756 400859663 /nfs/dbraw/zinc/85/96/63/400859663.db2.gz IDUYLJMXAYDJPZ-AWEZNQCLSA-N 0 0 318.373 3.159 10 5 DGBERN C[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)[C@@H]1c1cccc(F)c1 ZINC000080671803 400977709 /nfs/dbraw/zinc/97/77/09/400977709.db2.gz JHXZDABQSKZZPJ-GWCFXTLKSA-N 0 0 304.325 3.055 10 5 DGBERN C[C@@H]1C[C@H](c2ccccc2)CN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000360454289 286483270 /nfs/dbraw/zinc/48/32/70/286483270.db2.gz HUCJCBLFPNSFJF-OCCSQVGLSA-N 0 0 323.356 3.020 10 5 DGBERN CCOc1ccc(C(=O)N[C@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000362007503 286757154 /nfs/dbraw/zinc/75/71/54/286757154.db2.gz CQMJIXDEBBQIJP-MRVPVSSYSA-N 0 0 320.267 3.064 10 5 DGBERN COC[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1ccc(Cl)cc1 ZINC000362661382 286846343 /nfs/dbraw/zinc/84/63/43/286846343.db2.gz DMOOQOQTVVPNGG-CYBMUJFWSA-N 0 0 307.737 3.443 10 5 DGBERN CC1(C)CCCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000408107278 165945767 /nfs/dbraw/zinc/94/57/67/165945767.db2.gz NJYNEALAZLOVEK-UHFFFAOYSA-N 0 0 316.361 3.260 10 5 DGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCOC1 ZINC000180199447 164877825 /nfs/dbraw/zinc/87/78/25/164877825.db2.gz RALHZUVPLFKVDM-NSHDSACASA-N 0 0 324.402 3.004 10 5 DGBERN O=[N+]([O-])c1cc(CNc2cccc3c2OCC[C@H]3O)cs1 ZINC000184074462 164967696 /nfs/dbraw/zinc/96/76/96/164967696.db2.gz KBLKJBUNRYIGDE-GFCCVEGCSA-N 0 0 306.343 3.084 10 5 DGBERN CN1Cc2cc(NCc3csc([N+](=O)[O-])c3)ccc2NC1=O ZINC000187470190 165091149 /nfs/dbraw/zinc/09/11/49/165091149.db2.gz RZMCIQHJQMDICO-UHFFFAOYSA-N 0 0 318.358 3.246 10 5 DGBERN CC(=O)c1ccc(OC[C@@H](O)CC2CCCC2)c([N+](=O)[O-])c1 ZINC000191365314 165246554 /nfs/dbraw/zinc/24/65/54/165246554.db2.gz YVJYRYNLPLYGLL-AWEZNQCLSA-N 0 0 307.346 3.117 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1NCCc1cc(F)ccc1F ZINC000192643335 165300262 /nfs/dbraw/zinc/30/02/62/165300262.db2.gz DIKXKVLRIUMUED-UHFFFAOYSA-N 0 0 310.304 3.052 10 5 DGBERN Cc1csc([C@H]2CCCN(c3cc(N)ccc3[N+](=O)[O-])C2)n1 ZINC000193402287 165324143 /nfs/dbraw/zinc/32/41/43/165324143.db2.gz YQGHOGOHYAUJIZ-NSHDSACASA-N 0 0 318.402 3.326 10 5 DGBERN Cc1csc([C@H]2CN(c3ccc([N+](=O)[O-])cc3F)CCO2)n1 ZINC000195313748 165364239 /nfs/dbraw/zinc/36/42/39/165364239.db2.gz FBTYDSQQHVTXDF-CYBMUJFWSA-N 0 0 323.349 3.077 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2ccsc2)c1 ZINC000136295152 432151611 /nfs/dbraw/zinc/15/16/11/432151611.db2.gz LGBIATAYUFXNFP-UHFFFAOYSA-N 0 0 306.343 3.079 10 5 DGBERN CSCCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000129467525 196051527 /nfs/dbraw/zinc/05/15/27/196051527.db2.gz UBKYWTJZJFQSNG-UHFFFAOYSA-N 0 0 320.317 3.278 10 5 DGBERN Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](C)C2 ZINC000182217022 432168598 /nfs/dbraw/zinc/16/85/98/432168598.db2.gz VUSKWHZREPJMDF-YJYMSZOUSA-N 0 0 324.380 3.495 10 5 DGBERN Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)C2 ZINC000182217058 432168660 /nfs/dbraw/zinc/16/86/60/432168660.db2.gz VUSKWHZREPJMDF-DJJJIMSYSA-N 0 0 324.380 3.495 10 5 DGBERN C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000172100628 432196429 /nfs/dbraw/zinc/19/64/29/432196429.db2.gz RLKUWYFHUOPYDQ-GFCCVEGCSA-N 0 0 305.378 3.092 10 5 DGBERN O=[N+]([O-])c1ccc(F)cc1CN1CCCC[C@H]1c1cn[nH]c1 ZINC000172271989 432206039 /nfs/dbraw/zinc/20/60/39/432206039.db2.gz MICIOCWRHXFKAN-AWEZNQCLSA-N 0 0 304.325 3.184 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cscc2C)c1 ZINC000134359709 196381860 /nfs/dbraw/zinc/38/18/60/196381860.db2.gz KNNKWNSCAFJHKL-UHFFFAOYSA-N 0 0 306.343 3.363 10 5 DGBERN C[C@@H]1CC[C@@H](C)N(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000175158957 228297934 /nfs/dbraw/zinc/29/79/34/228297934.db2.gz QHWOJBJFOYJTEX-VXGBXAGGSA-N 0 0 308.403 3.334 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000189386056 228482182 /nfs/dbraw/zinc/48/21/82/228482182.db2.gz GBSXLBIYDCWLSU-LBPRGKRZSA-N 0 0 321.377 3.291 10 5 DGBERN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000193642913 263798175 /nfs/dbraw/zinc/79/81/75/263798175.db2.gz WRYUYRGGYBWIOL-NEPJUHHUSA-N 0 0 317.345 3.174 10 5 DGBERN COc1cc(C(=O)N[C@H](C)c2cccs2)ccc1[N+](=O)[O-] ZINC000195229772 263828368 /nfs/dbraw/zinc/82/83/68/263828368.db2.gz NBAFFISFYCMGFR-SECBINFHSA-N 0 0 306.343 3.156 10 5 DGBERN Cc1ccc(C(=O)Nc2nccn2CC(C)C)cc1[N+](=O)[O-] ZINC000064661978 424841110 /nfs/dbraw/zinc/84/11/10/424841110.db2.gz UDLKEMNGEQUXFD-UHFFFAOYSA-N 0 0 302.334 3.008 10 5 DGBERN CNC(=O)c1cc(Cl)ccc1NCc1cccc([N+](=O)[O-])c1 ZINC000172875153 432242712 /nfs/dbraw/zinc/24/27/12/432242712.db2.gz KJXQFKKVLLRVGS-UHFFFAOYSA-N 0 0 319.748 3.220 10 5 DGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1[C@@H](C)CC(O)C[C@@H]1C ZINC000191271050 432242844 /nfs/dbraw/zinc/24/28/44/432242844.db2.gz JVXGBSFHSYSRPU-STQMWFEESA-N 0 0 322.405 3.116 10 5 DGBERN COc1cccc(N2CCC(C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000368399792 271156018 /nfs/dbraw/zinc/15/60/18/271156018.db2.gz LTQUWJUHSXYANC-UHFFFAOYSA-N 0 0 320.389 3.246 10 5 DGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1OCCC2 ZINC000370494211 271365829 /nfs/dbraw/zinc/36/58/29/271365829.db2.gz ALSPYTGWKUHQAU-UHFFFAOYSA-N 0 0 312.325 3.101 10 5 DGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000173016261 432253342 /nfs/dbraw/zinc/25/33/42/432253342.db2.gz IUKZKWAFSCKSME-DOTOQJQBSA-N 0 0 310.353 3.057 10 5 DGBERN Cc1ccc(CC(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)s1 ZINC000191349244 432254479 /nfs/dbraw/zinc/25/44/79/432254479.db2.gz QBZMXBAGHBNFSM-UHFFFAOYSA-N 0 0 320.370 3.262 10 5 DGBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247977815 432258653 /nfs/dbraw/zinc/25/86/53/432258653.db2.gz LNRQPIAFLUPQAO-XJKSGUPXSA-N 0 0 324.808 3.375 10 5 DGBERN CC(C)(C)[C@@H](O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000078670136 275527404 /nfs/dbraw/zinc/52/74/04/275527404.db2.gz BRHAJEYWWBRANH-NSHDSACASA-N 0 0 306.284 3.433 10 5 DGBERN CCOC(=O)c1nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2s1 ZINC000098177625 276303791 /nfs/dbraw/zinc/30/37/91/276303791.db2.gz SOKQOUXISAXWBP-UHFFFAOYSA-N 0 0 320.248 3.400 10 5 DGBERN CC[C@H]1CCCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000289674326 276649396 /nfs/dbraw/zinc/64/93/96/276649396.db2.gz CHQQQTAULVRKBS-ZDUSSCGKSA-N 0 0 315.377 3.159 10 5 DGBERN CO[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[C@H]1C ZINC000276073437 277750470 /nfs/dbraw/zinc/75/04/70/277750470.db2.gz STUCFIATCNDJCV-ABAIWWIYSA-N 0 0 301.346 3.004 10 5 DGBERN CC(C)c1nc2c(n1C)CCN(c1ccc([N+](=O)[O-])cc1)C2 ZINC000108952581 278075877 /nfs/dbraw/zinc/07/58/77/278075877.db2.gz KWPYIWMOQORVFM-UHFFFAOYSA-N 0 0 300.362 3.014 10 5 DGBERN C[C@@H]1CCCC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301113442 278464071 /nfs/dbraw/zinc/46/40/71/278464071.db2.gz LIBYBOPMRLMZEW-GHMZBOCLSA-N 0 0 319.361 3.164 10 5 DGBERN CCC[NH+](CCC)CC[C@H](C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000071624596 278782251 /nfs/dbraw/zinc/78/22/51/278782251.db2.gz ITQAVOQVYNLFPE-AWEZNQCLSA-N 0 0 308.378 3.275 10 5 DGBERN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2COc3ccccc32)c1 ZINC000070070168 431237792 /nfs/dbraw/zinc/23/77/92/431237792.db2.gz YFOLAONNQOPJEW-AWEZNQCLSA-N 0 0 304.733 3.472 10 5 DGBERN Cc1cccc([N+](=O)[O-])c1NC1CCN(C(=O)OC(C)C)CC1 ZINC000112695762 431296249 /nfs/dbraw/zinc/29/62/49/431296249.db2.gz CBUAYNOWBIATHD-UHFFFAOYSA-N 0 0 321.377 3.325 10 5 DGBERN CCC1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000074385651 431419438 /nfs/dbraw/zinc/41/94/38/431419438.db2.gz AYDYTQVIJCGMRE-UHFFFAOYSA-N 0 0 306.362 3.059 10 5 DGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)c1coc(Br)c1 ZINC000074382117 431419922 /nfs/dbraw/zinc/41/99/22/431419922.db2.gz BYDYZDOYKUWQIX-UHFFFAOYSA-N 0 0 311.091 3.203 10 5 DGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H]1c1ccco1 ZINC000116042678 431480709 /nfs/dbraw/zinc/48/07/09/431480709.db2.gz AOZSQJKWJJFTML-CYBMUJFWSA-N 0 0 304.277 3.304 10 5 DGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000115171434 431436788 /nfs/dbraw/zinc/43/67/88/431436788.db2.gz GJNUZMYAKHQEDM-CQSZACIVSA-N 0 0 315.333 3.077 10 5 DGBERN CC[C@H]1CCCCN1c1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000301735314 288201674 /nfs/dbraw/zinc/20/16/74/288201674.db2.gz UTSWWJXZMVHUNM-LBPRGKRZSA-N 0 0 306.362 3.459 10 5 DGBERN C[C@]12CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]1C2(F)F ZINC000291858557 280177103 /nfs/dbraw/zinc/17/71/03/280177103.db2.gz VPBBHOMJJBJOJT-YPMHNXCESA-N 0 0 311.288 3.104 10 5 DGBERN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC12CCC2 ZINC000444115197 280192521 /nfs/dbraw/zinc/19/25/21/280192521.db2.gz LUYMJIDUJZPFQR-UHFFFAOYSA-N 0 0 318.376 3.450 10 5 DGBERN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCO1 ZINC000178939900 288214643 /nfs/dbraw/zinc/21/46/43/288214643.db2.gz RGAZUALEKREGRM-SNVBAGLBSA-N 0 0 318.295 3.224 10 5 DGBERN Cc1cc(C(=O)N[C@@H]2CCOc3ccccc32)cc([N+](=O)[O-])c1 ZINC000147358543 280354106 /nfs/dbraw/zinc/35/41/06/280354106.db2.gz AWTVLRNRMOKHED-OAHLLOKOSA-N 0 0 312.325 3.157 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCCCCO2)c(Br)c1 ZINC000408155545 280366009 /nfs/dbraw/zinc/36/60/09/280366009.db2.gz RVLVPWUYSQQNJG-UHFFFAOYSA-N 0 0 301.140 3.279 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1OCc1nc2cc(F)ccc2o1 ZINC000119457743 431694058 /nfs/dbraw/zinc/69/40/58/431694058.db2.gz BNGZOMVUNMFSNE-UHFFFAOYSA-N 0 0 318.260 3.463 10 5 DGBERN Cc1ccc(C(N)=O)c(O[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000078360228 431662725 /nfs/dbraw/zinc/66/27/25/431662725.db2.gz WCYNIYRJTYCILK-LLVKDONJSA-N 0 0 300.314 3.142 10 5 DGBERN CCC(C)(C)[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000122112794 431812276 /nfs/dbraw/zinc/81/22/76/431812276.db2.gz UHIBARXXOYRSGD-CYBMUJFWSA-N 0 0 305.378 3.218 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1O[C@H](C)c1nc(C(C)(C)C)no1 ZINC000122167640 431816962 /nfs/dbraw/zinc/81/69/62/431816962.db2.gz WAVGIJALKJDZLF-SECBINFHSA-N 0 0 321.333 3.424 10 5 DGBERN CC[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000087317754 431853794 /nfs/dbraw/zinc/85/37/94/431853794.db2.gz TYEJRXZQDJAADW-CYBMUJFWSA-N 0 0 319.386 3.251 10 5 DGBERN CC[C@@H](NC(=O)N(C)CCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000123248582 431860127 /nfs/dbraw/zinc/86/01/27/431860127.db2.gz WBDIUNQEWHNMJJ-OAHLLOKOSA-N 0 0 305.378 3.487 10 5 DGBERN CCCn1nccc1NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000047391786 431910409 /nfs/dbraw/zinc/91/04/09/431910409.db2.gz GRPJXZLZIBQWSF-LLVKDONJSA-N 0 0 317.349 3.084 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000052949222 431959376 /nfs/dbraw/zinc/95/93/76/431959376.db2.gz HKEVGYMMQFPMCM-UHFFFAOYSA-N 0 0 323.352 3.228 10 5 DGBERN Cc1ccc([N+](=O)[O-])c2cc(I)cnc12 ZINC000068577603 281015766 /nfs/dbraw/zinc/01/57/66/281015766.db2.gz RPERJJOMZVVBBU-UHFFFAOYSA-N 0 0 314.082 3.056 10 5 DGBERN CCCC(=O)N[C@@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000101564390 431986453 /nfs/dbraw/zinc/98/64/53/431986453.db2.gz PWJVHMJNFXCKKB-DZGCQCFKSA-N 0 0 319.405 3.037 10 5 DGBERN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H](C)C2 ZINC000181219853 281114541 /nfs/dbraw/zinc/11/45/41/281114541.db2.gz KGIYHVQJNFRLBX-ZUZCIYMTSA-N 0 0 300.314 3.160 10 5 DGBERN CC1(C)CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000128076204 431987046 /nfs/dbraw/zinc/98/70/46/431987046.db2.gz MGHBWWHZKJERMW-UHFFFAOYSA-N 0 0 306.362 3.059 10 5 DGBERN Cc1sc(C(=O)NCCOc2ccccc2C)cc1[N+](=O)[O-] ZINC000055955736 431987614 /nfs/dbraw/zinc/98/76/14/431987614.db2.gz LQXQYEXEGOHCBW-UHFFFAOYSA-N 0 0 320.370 3.082 10 5 DGBERN Cc1cccc([N+](=O)[O-])c1N1CCC(c2cnn(C)c2)CC1 ZINC000110413473 281259076 /nfs/dbraw/zinc/25/90/76/281259076.db2.gz NLLAYQYGNAHNKQ-UHFFFAOYSA-N 0 0 300.362 3.021 10 5 DGBERN C[C@@H](CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)[S@@](C)=O ZINC000128305605 431991633 /nfs/dbraw/zinc/99/16/33/431991633.db2.gz BOHUUKAJKSRVCF-QQOXFEPMSA-N 0 0 311.190 3.081 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)n1 ZINC000191501199 432270913 /nfs/dbraw/zinc/27/09/13/432270913.db2.gz GSLLHCXOYUAMRV-VXGBXAGGSA-N 0 0 322.409 3.146 10 5 DGBERN CCC(CC)N(CC(C)C)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191653701 432287842 /nfs/dbraw/zinc/28/78/42/432287842.db2.gz UXVRFSAMRDIYSN-UHFFFAOYSA-N 0 0 310.398 3.098 10 5 DGBERN Cc1ccc([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3C)CCO2)o1 ZINC000183389593 432288316 /nfs/dbraw/zinc/28/83/16/432288316.db2.gz LQUDGIUJCATFEY-KRWDZBQOSA-N 0 0 316.357 3.378 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2CCC(C)C)n1 ZINC000191671508 432288504 /nfs/dbraw/zinc/28/85/04/432288504.db2.gz HBQDNHCBYJXJGK-ZDUSSCGKSA-N 0 0 322.409 3.242 10 5 DGBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128478699 431994363 /nfs/dbraw/zinc/99/43/63/431994363.db2.gz LNRQPIAFLUPQAO-CZUORRHYSA-N 0 0 324.808 3.375 10 5 DGBERN Cc1ccc([C@H](C)OC(=O)[C@H]2CCCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000192246115 432350485 /nfs/dbraw/zinc/35/04/85/432350485.db2.gz FMHZQXDRKYQSKJ-SCRDCRAPSA-N 0 0 307.346 3.323 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC2(C1)CCCCC2 ZINC000174013079 432313239 /nfs/dbraw/zinc/31/32/39/432313239.db2.gz AKSVUFJFZAQYGS-UHFFFAOYSA-N 0 0 303.362 3.095 10 5 DGBERN CCc1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000174008119 432314503 /nfs/dbraw/zinc/31/45/03/432314503.db2.gz ZPYLDZLUDWXJRL-UHFFFAOYSA-N 0 0 302.330 3.331 10 5 DGBERN COc1cc(CN[C@H](C)c2ccc(C)o2)c([N+](=O)[O-])cc1F ZINC000184406195 432387768 /nfs/dbraw/zinc/38/77/68/432387768.db2.gz ZNQXZDBZSCCLNO-SNVBAGLBSA-N 0 0 308.309 3.495 10 5 DGBERN Cc1c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccn1C ZINC000192567662 432388609 /nfs/dbraw/zinc/38/86/09/432388609.db2.gz PSNQBOXCSMLRDQ-UHFFFAOYSA-N 0 0 313.357 3.047 10 5 DGBERN CCCCN(CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000192609648 432391862 /nfs/dbraw/zinc/39/18/62/432391862.db2.gz VCYAKHMEWRBBCH-UHFFFAOYSA-N 0 0 319.283 3.103 10 5 DGBERN C[C@@H](C(=O)N1CCCc2ccc([N+](=O)[O-])cc21)c1cccnc1 ZINC000175050930 432393370 /nfs/dbraw/zinc/39/33/70/432393370.db2.gz IJRWHDDKMZALRT-GFCCVEGCSA-N 0 0 311.341 3.073 10 5 DGBERN Cc1nccn1C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000271437573 432395565 /nfs/dbraw/zinc/39/55/65/432395565.db2.gz XAYDVPDXZYPUCD-OAHLLOKOSA-N 0 0 300.362 3.077 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCO[C@@H]1CC(C)C ZINC000184764632 432430476 /nfs/dbraw/zinc/43/04/76/432430476.db2.gz SVLVZDBNHSOPOJ-JKSUJKDBSA-N 0 0 320.389 3.227 10 5 DGBERN CS[C@H]1CCCCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000153960420 432459028 /nfs/dbraw/zinc/45/90/28/432459028.db2.gz LEFBNCJXIONJKM-JTQLQIEISA-N 0 0 314.432 3.322 10 5 DGBERN Cc1ccc(OC[C@@H](O)COc2cc(C)ccc2[N+](=O)[O-])cc1 ZINC000153632425 432427913 /nfs/dbraw/zinc/42/79/13/432427913.db2.gz ULTTZWGINUJYDW-CQSZACIVSA-N 0 0 317.341 3.030 10 5 DGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000262308290 432482022 /nfs/dbraw/zinc/48/20/22/432482022.db2.gz PMFARUGTHADSNC-QWHCGFSZSA-N 0 0 306.362 3.233 10 5 DGBERN CC[C@@H](NC(=O)N[C@@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000176266788 432505312 /nfs/dbraw/zinc/50/53/12/432505312.db2.gz OTSJJOREMAUOFD-UKRRQHHQSA-N 0 0 303.362 3.454 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186141343 432561620 /nfs/dbraw/zinc/56/16/20/432561620.db2.gz LYIQPLBTPHEBJW-ZFWWWQNUSA-N 0 0 318.398 3.177 10 5 DGBERN O=[N+]([O-])c1cccc(-c2ncn(Cc3nc4ccccc4o3)n2)c1 ZINC000155566473 432563011 /nfs/dbraw/zinc/56/30/11/432563011.db2.gz PQBZIGJOISKNHY-UHFFFAOYSA-N 0 0 321.296 3.043 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(C)c1NCC(=O)Nc1ccccc1F ZINC000155034598 432535837 /nfs/dbraw/zinc/53/58/37/432535837.db2.gz QCMRFTJZUFBYJM-UHFFFAOYSA-N 0 0 317.320 3.401 10 5 DGBERN CC[C@@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000176618908 432537780 /nfs/dbraw/zinc/53/77/80/432537780.db2.gz IGQZGTXGVXPQGU-CYBMUJFWSA-N 0 0 323.736 3.139 10 5 DGBERN COc1cccc(C(=O)NC/C=C/c2ccccc2)c1[N+](=O)[O-] ZINC000194351153 432543569 /nfs/dbraw/zinc/54/35/69/432543569.db2.gz OZUDEURZUPQPFR-RMKNXTFCSA-N 0 0 312.325 3.047 10 5 DGBERN CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(C1CC1)C1CC1 ZINC000195200475 432612590 /nfs/dbraw/zinc/61/25/90/432612590.db2.gz HULDVIDWNMGZAG-UHFFFAOYSA-N 0 0 313.357 3.337 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000194839125 432581663 /nfs/dbraw/zinc/58/16/63/432581663.db2.gz QDEAGNGZFVXRSP-HZPDHXFCSA-N 0 0 314.316 3.328 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cc(F)ccc1F ZINC000177094973 432585178 /nfs/dbraw/zinc/58/51/78/432585178.db2.gz VMVXSMDSTGZXMU-UHFFFAOYSA-N 0 0 320.295 3.154 10 5 DGBERN Cc1noc(C2CC2)c1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000156704774 432603627 /nfs/dbraw/zinc/60/36/27/432603627.db2.gz QWJUETAGIPYRPB-UHFFFAOYSA-N 0 0 307.331 3.391 10 5 DGBERN CC[C@H](NC(=O)c1ccc(COC)o1)c1cccc([N+](=O)[O-])c1 ZINC000177803051 432663282 /nfs/dbraw/zinc/66/32/82/432663282.db2.gz MAYXVXIXLJAWAL-AWEZNQCLSA-N 0 0 318.329 3.215 10 5 DGBERN C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000187952769 432694895 /nfs/dbraw/zinc/69/48/95/432694895.db2.gz UORSZWWMUBSBOP-IAQYHMDHSA-N 0 0 312.797 3.231 10 5 DGBERN CC[C@@H](NC(=O)[C@@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000188302537 432715848 /nfs/dbraw/zinc/71/58/48/432715848.db2.gz ONDFHJURILDGKO-CVEARBPZSA-N 0 0 320.389 3.103 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCO[C@@H]1C(C)C ZINC000177967856 432680286 /nfs/dbraw/zinc/68/02/86/432680286.db2.gz WDPJQMQDHKACOR-XJKSGUPXSA-N 0 0 320.389 3.084 10 5 DGBERN CCC[C@@H]1C[C@@H]1Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000230215515 432727025 /nfs/dbraw/zinc/72/70/25/432727025.db2.gz CQDYJOUSQDPWPL-APPZFPTMSA-N 0 0 300.156 3.353 10 5 DGBERN CC(C)[C@@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000162268907 432818259 /nfs/dbraw/zinc/81/82/59/432818259.db2.gz OYPRMASDFMGQAB-GFCCVEGCSA-N 0 0 305.378 3.313 10 5 DGBERN O=C(NCc1cccs1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000161593511 432787502 /nfs/dbraw/zinc/78/75/02/432787502.db2.gz BCTIJOFOZXHHNB-UHFFFAOYSA-N 0 0 301.327 3.068 10 5 DGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCSCC1 ZINC000276379276 432802790 /nfs/dbraw/zinc/80/27/90/432802790.db2.gz GAMOKCNRRUGQNL-UHFFFAOYSA-N 0 0 309.391 3.182 10 5 DGBERN CSc1cccc(C(=O)NC[C@H]2CCC(C)(C)O2)c1[N+](=O)[O-] ZINC000189679060 432810143 /nfs/dbraw/zinc/81/01/43/432810143.db2.gz LQEFIEGLFRYZRT-SNVBAGLBSA-N 0 0 324.402 3.004 10 5 DGBERN Cc1cc(N2CC[C@H](c3nc(C4CC4)no3)C2)ccc1[N+](=O)[O-] ZINC000375254635 433397313 /nfs/dbraw/zinc/39/73/13/433397313.db2.gz MVUDUSCWAQVASN-LBPRGKRZSA-N 0 0 314.345 3.158 10 5 DGBERN CC(=O)c1csc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000342066812 433446168 /nfs/dbraw/zinc/44/61/68/433446168.db2.gz TVLPOEQLBZXTMT-VIFPVBQESA-N 0 0 318.354 3.350 10 5 DGBERN O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@@H](n2cccn2)C1 ZINC000301196500 433448021 /nfs/dbraw/zinc/44/80/21/433448021.db2.gz UOCUPRRSXAJRJN-GFCCVEGCSA-N 0 0 306.753 3.286 10 5 DGBERN CC(=O)c1cc(NC[C@](C)(O)CCC(C)C)ccc1[N+](=O)[O-] ZINC000342354528 433635067 /nfs/dbraw/zinc/63/50/67/433635067.db2.gz ZOWXTYRORQVCDY-MRXNPFEDSA-N 0 0 308.378 3.397 10 5 DGBERN CCOc1ccc(C(=O)NC[C@@H]2C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000456340792 433601937 /nfs/dbraw/zinc/60/19/37/433601937.db2.gz ZLQCNDGKVITDSP-STQMWFEESA-N 0 0 306.362 3.015 10 5 DGBERN CCS[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1 ZINC000301702973 433686510 /nfs/dbraw/zinc/68/65/10/433686510.db2.gz FEBQKLFJYUSNJD-TZMCWYRMSA-N 0 0 324.402 3.468 10 5 DGBERN CCOC(=O)c1cc(N[C@@H]2CCC[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000301785773 433724650 /nfs/dbraw/zinc/72/46/50/433724650.db2.gz PJLDCAFGQFHMBH-YPMHNXCESA-N 0 0 322.361 3.141 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)c1 ZINC000293552166 433776945 /nfs/dbraw/zinc/77/69/45/433776945.db2.gz CECHNZQFOOOURR-GXTWGEPZSA-N 0 0 310.300 3.021 10 5 DGBERN Cc1cc(N[C@@H](C)c2nnc3n2CCCC3)ccc1[N+](=O)[O-] ZINC000301950055 433804754 /nfs/dbraw/zinc/80/47/54/433804754.db2.gz GHPSDGYKFSOFKV-NSHDSACASA-N 0 0 301.350 3.004 10 5 DGBERN CC(C)CC(=O)N1CCC(Nc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302825991 433872714 /nfs/dbraw/zinc/87/27/14/433872714.db2.gz ZTBULVNOKHWUIP-UHFFFAOYSA-N 0 0 323.368 3.183 10 5 DGBERN CCOc1ccc(C(=O)N2CCC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000377542254 433906556 /nfs/dbraw/zinc/90/65/56/433906556.db2.gz GDWRWYQBLQVDCE-ZDUSSCGKSA-N 0 0 304.346 3.008 10 5 DGBERN CO[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1C ZINC000302575249 293832754 /nfs/dbraw/zinc/83/27/54/293832754.db2.gz RKYGRHSAWQRXGE-NOZJJQNGSA-N 0 0 318.295 3.475 10 5 DGBERN C[C@@H](O)[C@](C)(CNc1ccc([N+](=O)[O-])nc1)Cc1ccccc1 ZINC000357670274 434120371 /nfs/dbraw/zinc/12/03/71/434120371.db2.gz FDQNSFHZAAEACV-DYVFJYSZSA-N 0 0 315.373 3.032 10 5 DGBERN COc1cc(N[C@@H](CO)CC2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000509533029 294355233 /nfs/dbraw/zinc/35/52/33/294355233.db2.gz OEHQQVPADGXLLX-LLVKDONJSA-N 0 0 312.341 3.096 10 5 DGBERN C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1cccc(C2CC2)c1 ZINC000450549829 434260012 /nfs/dbraw/zinc/26/00/12/434260012.db2.gz CJUKFXGQUUZAGJ-LLVKDONJSA-N 0 0 323.356 3.688 10 5 DGBERN O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000437277385 434239343 /nfs/dbraw/zinc/23/93/43/434239343.db2.gz PYXZEIBSBKILQP-GOEBONIOSA-N 0 0 321.336 3.362 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(N2CC(C)(C)O[C@@]3(CCCOC3)C2)c1 ZINC000408339912 434563618 /nfs/dbraw/zinc/56/36/18/434563618.db2.gz SBGQOQKGCNRWJK-KRWDZBQOSA-N 0 0 320.389 3.068 10 5 DGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)[C@H](C)[C@@H](C)O1 ZINC000408443085 434575513 /nfs/dbraw/zinc/57/55/13/434575513.db2.gz MFHXTXXCXQUMOD-IJLUTSLNSA-N 0 0 301.346 3.145 10 5 DGBERN O=[N+]([O-])c1nn(CC23CCC(CC2)C3)cc1Br ZINC000408458751 434579503 /nfs/dbraw/zinc/57/95/03/434579503.db2.gz UYYBVGDXKQGGPK-UHFFFAOYSA-N 0 0 300.156 3.134 10 5 DGBERN C[C@H]1C[C@@H](c2ccccc2)CN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000360454287 434611469 /nfs/dbraw/zinc/61/14/69/434611469.db2.gz HUCJCBLFPNSFJF-GXTWGEPZSA-N 0 0 323.356 3.020 10 5 DGBERN Cc1cc(Br)cc([N+](=O)[O-])c1OCc1ncccn1 ZINC000573894941 434933458 /nfs/dbraw/zinc/93/34/58/434933458.db2.gz NCQZIQPVMMYKIV-UHFFFAOYSA-N 0 0 324.134 3.035 10 5 DGBERN CC(=O)c1cc([N+](=O)[O-])cc(OC(F)(F)F)c1OC(F)F ZINC000575667390 435042367 /nfs/dbraw/zinc/04/23/67/435042367.db2.gz MUPAGGAEEGAJQZ-UHFFFAOYSA-N 0 0 315.150 3.297 10 5 DGBERN CCOc1cc(I)cc(CC)c1[N+](=O)[O-] ZINC000575694095 435045714 /nfs/dbraw/zinc/04/57/14/435045714.db2.gz BNTXVXJEMUORHM-UHFFFAOYSA-N 0 0 321.114 3.161 10 5 DGBERN CCOC(=O)Cc1cc(CC)cc(Br)c1[N+](=O)[O-] ZINC000575700208 435047938 /nfs/dbraw/zinc/04/79/38/435047938.db2.gz RHKIGSWZRSPAMX-UHFFFAOYSA-N 0 0 316.151 3.025 10 5 DGBERN CCOC(=O)Cc1cc([N+](=O)[O-])cc(Br)c1Cl ZINC000575700923 435048396 /nfs/dbraw/zinc/04/83/96/435048396.db2.gz ZDTBCSDIWFJNRG-UHFFFAOYSA-N 0 0 322.542 3.116 10 5 DGBERN CSc1cc(I)cc([N+](=O)[O-])c1F ZINC000575707253 435048971 /nfs/dbraw/zinc/04/89/71/435048971.db2.gz RMDIUAHZGYKZJH-UHFFFAOYSA-N 0 0 313.091 3.060 10 5 DGBERN COc1ccc([C@@H](OC)[C@@H](C)Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC000560839519 435192585 /nfs/dbraw/zinc/19/25/85/435192585.db2.gz UVSOBCUHLMHBSS-BZNIZROVSA-N 0 0 317.345 3.187 10 5 DGBERN C[C@@H]1C[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475193318 435183553 /nfs/dbraw/zinc/18/35/53/435183553.db2.gz CKNACAHRSJAHTF-HTQZYQBOSA-N 0 0 317.267 3.391 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)n1 ZINC000408170093 301203480 /nfs/dbraw/zinc/20/34/80/301203480.db2.gz CAXXIUSGVADDTM-ZNMIVQPWSA-N 0 0 319.405 3.127 10 5 DGBERN Cc1nc(C)c(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)s1 ZINC000171447534 312720560 /nfs/dbraw/zinc/72/05/60/312720560.db2.gz FMXWUZGQCUSRNM-MRVPVSSYSA-N 0 0 317.370 3.260 10 5 DGBERN C[C@@H](NC(=O)c1scnc1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000179388131 312805011 /nfs/dbraw/zinc/80/50/11/312805011.db2.gz LZWMXQFUDMQKPD-SECBINFHSA-N 0 0 317.370 3.420 10 5 DGBERN COc1cccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1F ZINC000179545978 312808862 /nfs/dbraw/zinc/80/88/62/312808862.db2.gz DMFSQMIDDOMRQD-UHFFFAOYSA-N 0 0 318.304 3.015 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)NCCCC2CC2)cc1[N+](=O)[O-] ZINC000531202738 313440598 /nfs/dbraw/zinc/44/05/98/313440598.db2.gz HTHBCVBRTZXFOB-GFCCVEGCSA-N 0 0 305.378 3.454 10 5 DGBERN O=C(Nc1cccc2c1OCCC2)c1ccc(F)cc1[N+](=O)[O-] ZINC000555287688 314718473 /nfs/dbraw/zinc/71/84/73/314718473.db2.gz KEBHCNYQTZJWAL-UHFFFAOYSA-N 0 0 316.288 3.311 10 5 DGBERN CC[C@@H]1CCCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000565791740 315287740 /nfs/dbraw/zinc/28/77/40/315287740.db2.gz GHIBAFDIDBHKRX-GFCCVEGCSA-N 0 0 321.377 3.101 10 5 DGBERN COC(=O)c1cc(C)nc(Nc2ccc(C)c(F)c2)c1[N+](=O)[O-] ZINC000576776051 316166747 /nfs/dbraw/zinc/16/67/47/316166747.db2.gz WQFAIWMXUQUFIW-UHFFFAOYSA-N 0 0 319.292 3.276 10 5 DGBERN O=C(NCc1ccccc1[N+](=O)[O-])c1c[nH]c2cc(F)ccc12 ZINC000181148888 323247631 /nfs/dbraw/zinc/24/76/31/323247631.db2.gz JUEHMIWTFMGQRD-UHFFFAOYSA-N 0 0 313.288 3.145 10 5 DGBERN CCc1[nH]nc(C(=O)Nc2ccc(CC)c(CC)c2)c1[N+](=O)[O-] ZINC000182827302 323313400 /nfs/dbraw/zinc/31/34/00/323313400.db2.gz BSEZNZMNCDTJGM-UHFFFAOYSA-N 0 0 316.361 3.257 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000183240419 323330481 /nfs/dbraw/zinc/33/04/81/323330481.db2.gz GIESMWXDIQOLHW-UHFFFAOYSA-N 0 0 314.341 3.264 10 5 DGBERN COc1ccc(NC(=O)[C@@H](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000581743733 324152587 /nfs/dbraw/zinc/15/25/87/324152587.db2.gz JPZICYMHLDKGAF-LBPRGKRZSA-N 0 0 314.341 3.421 10 5 DGBERN CCC[C@@H]1CCCCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000582292662 324212721 /nfs/dbraw/zinc/21/27/21/324212721.db2.gz GOTUVTYEZSRTGO-GFCCVEGCSA-N 0 0 321.377 3.244 10 5 DGBERN CC(=O)c1nnc(-c2cccc([N+](=O)[O-])c2)cc1C(F)(F)F ZINC000536959665 337868671 /nfs/dbraw/zinc/86/86/71/337868671.db2.gz LQEBADQEPIZUKH-UHFFFAOYSA-N 0 0 311.219 3.273 10 5 DGBERN Cc1c(CC(=O)N[C@@H]2CCCC(F)(F)C2)cccc1[N+](=O)[O-] ZINC000439184384 533835702 /nfs/dbraw/zinc/83/57/02/533835702.db2.gz AHJWXTFCMUGOQN-GFCCVEGCSA-N 0 0 312.316 3.140 10 5 DGBERN C[C@@H](CNc1cc(CO)ccc1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000302020455 534089342 /nfs/dbraw/zinc/08/93/42/534089342.db2.gz FCPYUKJQOSIQBF-NSHDSACASA-N 0 0 320.320 3.106 10 5 DGBERN C[C@@H]1CC[C@H](C)N(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000175158920 534221495 /nfs/dbraw/zinc/22/14/95/534221495.db2.gz QHWOJBJFOYJTEX-NEPJUHHUSA-N 0 0 308.403 3.334 10 5 DGBERN Cc1nc(NC(=O)Cc2cnc3ccccc3c2)ccc1[N+](=O)[O-] ZINC000191381946 534464156 /nfs/dbraw/zinc/46/41/56/534464156.db2.gz NMZYZWDRPDKEGJ-UHFFFAOYSA-N 0 0 322.324 3.028 10 5 DGBERN Cc1cccc(C(=O)Nc2cc(C3CC3)nc(C)n2)c1[N+](=O)[O-] ZINC000160298856 534625403 /nfs/dbraw/zinc/62/54/03/534625403.db2.gz YHRVODGPMKBKEC-UHFFFAOYSA-N 0 0 312.329 3.131 10 5 DGBERN COc1cc(NCCC[C@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000154522372 522741290 /nfs/dbraw/zinc/74/12/90/522741290.db2.gz ROZCLCBMEXVILU-IUODEOHRSA-N 0 0 308.378 3.347 10 5 DGBERN CC(=O)c1cccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000429251327 527350127 /nfs/dbraw/zinc/35/01/27/527350127.db2.gz IFVJCYODIREFRH-NSHDSACASA-N 0 0 324.336 3.389 10 5 DGBERN CC(C)CC[C@@H]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301971751 527815056 /nfs/dbraw/zinc/81/50/56/527815056.db2.gz SQBVWMTWTSTVDV-ZDUSSCGKSA-N 0 0 317.393 3.290 10 5 DGBERN CC1(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCC1 ZINC000175110639 527976804 /nfs/dbraw/zinc/97/68/04/527976804.db2.gz WLZPYSPAMXXHRS-UHFFFAOYSA-N 0 0 303.362 3.089 10 5 DGBERN COc1cc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000450064778 536890972 /nfs/dbraw/zinc/89/09/72/536890972.db2.gz FGJIKUCESFQBLA-QWRGUYRKSA-N 0 0 322.336 3.005 10 5 DGBERN O=C(Cc1cccc(O)c1)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000735533233 574705427 /nfs/dbraw/zinc/70/54/27/574705427.db2.gz UZILBOLBEUCKOI-UHFFFAOYSA-N 0 0 321.716 3.240 10 5 DGBERN C[C@@H](NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000726434101 576021952 /nfs/dbraw/zinc/02/19/52/576021952.db2.gz GHHDDLAPKDVAAY-SECBINFHSA-N 0 0 322.415 3.209 10 5 DGBERN CC[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000119645880 617960045 /nfs/dbraw/zinc/96/00/45/617960045.db2.gz IMMXKYSDJUXFHC-SSDOTTSWSA-N 0 0 301.140 3.342 10 5 DGBERN CCc1ccc(OC(=O)CCc2ccccn2)c([N+](=O)[O-])c1 ZINC000127583965 617998483 /nfs/dbraw/zinc/99/84/83/617998483.db2.gz RUYVRUSMQFESNO-UHFFFAOYSA-N 0 0 300.314 3.090 10 5 DGBERN Cc1ccc(OS(=O)(=O)/C=C/c2ccccc2)c([N+](=O)[O-])c1 ZINC000015328277 618650177 /nfs/dbraw/zinc/65/01/77/618650177.db2.gz IERYKOLKWFWRCM-MDZDMXLPSA-N 0 0 319.338 3.283 10 5 DGBERN CC[C@@H](NC(=O)c1cccc(F)n1)c1cccc([N+](=O)[O-])c1 ZINC000150887442 620403606 /nfs/dbraw/zinc/40/36/06/620403606.db2.gz ACSASFJJRBWOLQ-GFCCVEGCSA-N 0 0 303.293 3.010 10 5 DGBERN O=C(Oc1cc(Cl)ccc1[N+](=O)[O-])c1cnn2c1CCCC2 ZINC000125679912 623510803 /nfs/dbraw/zinc/51/08/03/623510803.db2.gz TXUKVUVLEMJGDG-UHFFFAOYSA-N 0 0 321.720 3.000 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(Cl)nc1 ZINC000127440634 624394816 /nfs/dbraw/zinc/39/48/16/624394816.db2.gz XZIVMXHLVZGYBL-UHFFFAOYSA-N 0 0 319.748 3.224 10 5 DGBERN Cc1cccc(CCCOC(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000133104225 626766437 /nfs/dbraw/zinc/76/64/37/626766437.db2.gz JPHHBPRJUACNJY-UHFFFAOYSA-N 0 0 314.341 3.396 10 5 DGBERN COc1cc(C(=O)OCCCOC2CCCC2)ccc1[N+](=O)[O-] ZINC000102124340 629951445 /nfs/dbraw/zinc/95/14/45/629951445.db2.gz IIHKUVXGGHFOSV-UHFFFAOYSA-N 0 0 323.345 3.110 10 5 DGBERN Cc1c(C(=O)N2C[C@H](C)CC[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000072544345 660201099 /nfs/dbraw/zinc/20/10/99/660201099.db2.gz ICOSHOSKPUILAY-NXEZZACHSA-N 0 0 321.333 3.072 10 5 DGBERN CC(C)(O)[C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000721873222 658315237 /nfs/dbraw/zinc/31/52/37/658315237.db2.gz KTDCIONKGJKLJY-MRVPVSSYSA-N 0 0 319.188 3.499 10 5 DGBERN COC(C)(C)CCOC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000230421458 659329562 /nfs/dbraw/zinc/32/95/62/659329562.db2.gz YVGWFBXCHZAZRF-UHFFFAOYSA-N 0 0 301.726 3.220 10 5 DGBERN CC(C)(C)SCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000073906730 660574616 /nfs/dbraw/zinc/57/46/16/660574616.db2.gz NLVJMCNQGGISOH-UHFFFAOYSA-N 0 0 304.318 3.343 10 5 DGBERN O=C(NCC[C@@H]1CC1(F)F)c1cc([N+](=O)[O-])ccc1Cl ZINC000701992616 660696503 /nfs/dbraw/zinc/69/65/03/660696503.db2.gz GVWUAVDTAKLFRT-SSDOTTSWSA-N 0 0 304.680 3.023 10 5 DGBERN O=C(NCCC1(F)CCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000702498978 660724728 /nfs/dbraw/zinc/72/47/28/660724728.db2.gz OGZOVEFGCMMKAN-UHFFFAOYSA-N 0 0 300.717 3.260 10 5 DGBERN CSC1CC(Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000708266983 660919469 /nfs/dbraw/zinc/91/94/69/660919469.db2.gz UDGTXRADHWDAOR-UHFFFAOYSA-N 0 0 318.196 3.058 10 5 DGBERN Cc1cc(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000032548550 655544156 /nfs/dbraw/zinc/54/41/56/655544156.db2.gz XXFXLRHYWYRRPA-UHFFFAOYSA-N 0 0 313.356 3.041 10 5 DGBERN O=[N+]([O-])c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000004716813 655696746 /nfs/dbraw/zinc/69/67/46/655696746.db2.gz NVYUEKOPKWWRJJ-ZHACJKMWSA-N 0 0 304.327 3.007 10 5 DGBERN CC[C@H](NC(=O)/C=C\c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000255424991 655746626 /nfs/dbraw/zinc/74/66/26/655746626.db2.gz SNCLLPFHZREDJQ-CDNLZTBQSA-N 0 0 300.314 3.469 10 5 DGBERN CCc1ccc(OC(=O)c2nc(C)sc2C)c([N+](=O)[O-])c1 ZINC000178748847 655802536 /nfs/dbraw/zinc/80/25/36/655802536.db2.gz KQEGCKRBPSRSSF-UHFFFAOYSA-N 0 0 306.343 3.450 10 5 DGBERN Cc1cnc(CCN(C)Cc2cc(F)ccc2[N+](=O)[O-])s1 ZINC000179475944 655893566 /nfs/dbraw/zinc/89/35/66/655893566.db2.gz LODUIYBRLOQZKD-UHFFFAOYSA-N 0 0 309.366 3.173 10 5 DGBERN CO[C@H]1C[C@H](CNc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000714714001 661202187 /nfs/dbraw/zinc/20/21/87/661202187.db2.gz CTLZVJZBPAZLTF-CZMCAQCFSA-N 0 0 315.167 3.194 10 5 DGBERN O=[N+]([O-])c1ccc(Cl)c(OCc2nc(-c3ccoc3)no2)c1 ZINC000177334825 655921596 /nfs/dbraw/zinc/92/15/96/655921596.db2.gz JFLKLBQHIJPYTQ-UHFFFAOYSA-N 0 0 321.676 3.470 10 5 DGBERN O=[N+]([O-])c1ccc2c(c1)CCN2Cc1nnc(-c2ccccc2)o1 ZINC000178013755 655952595 /nfs/dbraw/zinc/95/25/95/655952595.db2.gz OLWVSUZTRZWPAX-UHFFFAOYSA-N 0 0 322.324 3.208 10 5 DGBERN C[C@@H]1COCC[C@@H]1Nc1cccc(Br)c1[N+](=O)[O-] ZINC000311242333 655987235 /nfs/dbraw/zinc/98/72/35/655987235.db2.gz XIUOCHSBSLXURU-SCZZXKLOSA-N 0 0 315.167 3.194 10 5 DGBERN O=C(NCC[C@H]1CCCS1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000715978021 661217603 /nfs/dbraw/zinc/21/76/03/661217603.db2.gz WPGRAYGKKZBOAE-SECBINFHSA-N 0 0 314.794 3.264 10 5 DGBERN Cc1nn(CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c(=S)s1 ZINC000024655250 656092757 /nfs/dbraw/zinc/09/27/57/656092757.db2.gz FAZJLCFUWCXYOR-MRVPVSSYSA-N 0 0 322.415 3.299 10 5 DGBERN C[C@H](OC(=O)CCOCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000066878094 656299774 /nfs/dbraw/zinc/29/97/74/656299774.db2.gz CXVQNZVQZDMCOB-VIFPVBQESA-N 0 0 321.251 3.168 10 5 DGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1cccs1 ZINC000072869410 656438224 /nfs/dbraw/zinc/43/82/24/656438224.db2.gz GSQYOQHDABBGJV-UHFFFAOYSA-N 0 0 309.368 3.492 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1ccccc1Cl ZINC000052474241 657081103 /nfs/dbraw/zinc/08/11/03/657081103.db2.gz DYNPJLSSYHCIIY-UHFFFAOYSA-N 0 0 306.705 3.309 10 5 DGBERN C[C@H](Cc1ccccc1)OC(=O)COc1ccccc1[N+](=O)[O-] ZINC000160042974 657360853 /nfs/dbraw/zinc/36/08/53/657360853.db2.gz FREKSKXTZMHFIH-CYBMUJFWSA-N 0 0 315.325 3.148 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000263536100 658270692 /nfs/dbraw/zinc/27/06/92/658270692.db2.gz ZHCUVWZZLDAPHX-MAZHCROVSA-N 0 0 318.373 3.121 10 5 DGBERN O=C(OC[C@@H]1CC=CCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000078238500 658360508 /nfs/dbraw/zinc/36/05/08/658360508.db2.gz FDBBKRIWLLWGNB-SNVBAGLBSA-N 0 0 306.274 3.016 10 5 DGBERN Cc1cc(C)c(OC(=O)[C@H](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000165118222 658967500 /nfs/dbraw/zinc/96/75/00/658967500.db2.gz XURTUVOLNFEBEU-GFCCVEGCSA-N 0 0 307.346 3.180 10 5 DGBERN CO[C@@H](C)c1cccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000171056620 659256388 /nfs/dbraw/zinc/25/63/88/659256388.db2.gz JRLRUZLZABGWRK-JTQLQIEISA-N 0 0 315.329 3.137 10 5 DGBERN COC(=O)c1cc(F)ccc1COc1ccc([N+](=O)[O-])c(F)c1 ZINC000171420510 659281178 /nfs/dbraw/zinc/28/11/78/659281178.db2.gz YLIGIYWFRSIUOC-UHFFFAOYSA-N 0 0 323.251 3.239 10 5 DGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC2(CCCC2)C1 ZINC000173761855 659399033 /nfs/dbraw/zinc/39/90/33/659399033.db2.gz KRVUVGBIRTZXGE-UHFFFAOYSA-N 0 0 313.357 3.482 10 5 DGBERN C[C@H](C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F)c1cccnc1 ZINC000174028903 659408834 /nfs/dbraw/zinc/40/88/34/659408834.db2.gz KQVYURXUZOXLHJ-QMMMGPOBSA-N 0 0 307.256 3.010 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1ccc(Cl)nc1C ZINC000152299936 659581271 /nfs/dbraw/zinc/58/12/71/659581271.db2.gz RWOZQQTURSTTKG-UHFFFAOYSA-N 0 0 321.720 3.012 10 5 DGBERN O=[N+]([O-])c1ccc(Cl)c(CN2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000043425338 661844457 /nfs/dbraw/zinc/84/44/57/661844457.db2.gz QIHWUUKQJZRQKS-LSDHHAIUSA-N 0 0 310.781 3.392 10 5 DGBERN O=Cc1ccc(OCc2cc(F)ccc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000047202469 661872861 /nfs/dbraw/zinc/87/28/61/661872861.db2.gz AQNKROBMWKLQAM-UHFFFAOYSA-N 0 0 320.232 3.034 10 5 DGBERN CC(C)CN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C(C)C ZINC000050710453 1194611979 /nfs/dbraw/zinc/61/19/79/1194611979.db2.gz CSJDCDKOYKASLM-UHFFFAOYSA-N 0 0 313.785 3.337 10 5 DGBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)c1cnccn1 ZINC000070478973 1195873575 /nfs/dbraw/zinc/87/35/75/1195873575.db2.gz PUDIBZUKFKZQMF-MRVPVSSYSA-N 0 0 323.150 3.320 10 5 DGBERN O=[N+]([O-])c1ncccc1NCCc1cccc(Br)c1 ZINC000313706536 1199773067 /nfs/dbraw/zinc/77/30/67/1199773067.db2.gz RKLRGFJPYUUBCS-UHFFFAOYSA-N 0 0 322.162 3.407 10 5 DGBERN O=[N+]([O-])c1cc(Br)ccc1Oc1nccnc1F ZINC000402758782 1203287387 /nfs/dbraw/zinc/28/73/87/1203287387.db2.gz OHCTULVHKYQRJJ-UHFFFAOYSA-N 0 0 314.070 3.079 10 5 DGBERN O=C(Nc1ccc(O)cc1Cl)c1cc(F)cc([N+](=O)[O-])c1 ZINC000165566638 1203764852 /nfs/dbraw/zinc/76/48/52/1203764852.db2.gz KWIGGOIVFFUPHD-UHFFFAOYSA-N 0 0 310.668 3.345 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)nc1 ZINC000588440523 1082284859 /nfs/dbraw/zinc/28/48/59/1082284859.db2.gz AXYGONSQXNKVFJ-NTMALXAHSA-N 0 0 301.277 3.171 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000588441287 1082286054 /nfs/dbraw/zinc/28/60/54/1082286054.db2.gz NLKCKJUCALWMGI-WDSMJVJCSA-N 0 0 318.373 3.070 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCc1nc(C)c(C)o1 ZINC000588442237 1082286079 /nfs/dbraw/zinc/28/60/79/1082286079.db2.gz CUWFOWQDLHGNIK-NTMALXAHSA-N 0 0 316.313 3.346 10 5 DGBERN CCCn1cc(NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)cn1 ZINC000588446110 1082293808 /nfs/dbraw/zinc/29/38/08/1082293808.db2.gz GCFJTQSEZHGEPA-XFXZXTDPSA-N 0 0 314.345 3.243 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ncc(C)s1 ZINC000588446104 1082293952 /nfs/dbraw/zinc/29/39/52/1082293952.db2.gz BKOXDNXXDBGMBB-YFHOEESVSA-N 0 0 317.370 3.079 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC(F)(F)C(F)F ZINC000588583793 1082765070 /nfs/dbraw/zinc/76/50/70/1082765070.db2.gz NFWKZHJRGOIDAS-VURMDHGXSA-N 0 0 320.242 3.015 10 5 DGBERN O=[N+]([O-])c1cnccc1NCCc1ccc(Cl)c(Cl)c1 ZINC000716256025 1091804877 /nfs/dbraw/zinc/80/48/77/1091804877.db2.gz RIHOPSBYONWHRT-UHFFFAOYSA-N 0 0 312.156 3.373 10 5 DGBERN Cc1conc1COc1cc(Br)ccc1[N+](=O)[O-] ZINC000720362781 1091813205 /nfs/dbraw/zinc/81/32/05/1091813205.db2.gz ORJUTUCIQMVLAO-UHFFFAOYSA-N 0 0 313.107 3.233 10 5 DGBERN CCC[C@H](CCO)Nc1c(Br)cccc1[N+](=O)[O-] ZINC000716840862 1101774990 /nfs/dbraw/zinc/77/49/90/1101774990.db2.gz PUXJYPYISJVTDD-SECBINFHSA-N 0 0 317.183 3.320 10 5 DGBERN CC[C@H](NC(=O)C[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000087369838 185222971 /nfs/dbraw/zinc/22/29/71/185222971.db2.gz JXOVVXGCUBDLPZ-CABCVRRESA-N 0 0 306.362 3.121 10 5 DGBERN CCOCCCCNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090548752 185302405 /nfs/dbraw/zinc/30/24/05/185302405.db2.gz NQUUADLDPJXMDR-HNNXBMFYSA-N 0 0 323.393 3.162 10 5 DGBERN CC[C@H](NC(=O)CCCOC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000183015727 199522094 /nfs/dbraw/zinc/52/20/94/199522094.db2.gz RKZCNBYESAFZRO-HNNXBMFYSA-N 0 0 308.378 3.367 10 5 DGBERN CN(CCc1ccc(Cl)cc1)c1cc(CO)ccc1[N+](=O)[O-] ZINC000302014455 529932766 /nfs/dbraw/zinc/93/27/66/529932766.db2.gz BMTOPLCSJHKXQJ-UHFFFAOYSA-N 0 0 320.776 3.419 10 5 DGBERN CN(Cc1ccc(Cl)cc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000178148174 529985390 /nfs/dbraw/zinc/98/53/90/529985390.db2.gz BJQKJNVGVCBLJI-UHFFFAOYSA-N 0 0 319.748 3.103 10 5 DGBERN O=[N+]([O-])c1cc(Cl)c(NC[C@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000226742429 201784016 /nfs/dbraw/zinc/78/40/16/201784016.db2.gz LHTBGLJXLFBJKE-HQJQHLMTSA-N 0 0 305.161 3.475 10 5 DGBERN Cc1ccc([C@H](C)NCc2nnc(C(C)C)n2C)cc1[N+](=O)[O-] ZINC000181836967 199359796 /nfs/dbraw/zinc/35/97/96/199359796.db2.gz UJIHYSIBQONPSH-LBPRGKRZSA-N 0 0 317.393 3.006 10 5 DGBERN Cc1sc(C(=O)N[C@@H](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000152626421 186091215 /nfs/dbraw/zinc/09/12/15/186091215.db2.gz VQIYXWSSFQVEFF-VIFPVBQESA-N 0 0 320.370 3.031 10 5 DGBERN CCN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H](C)c1cccnc1 ZINC000172144983 198046518 /nfs/dbraw/zinc/04/65/18/198046518.db2.gz XBWSXLWVTUJHON-JTQLQIEISA-N 0 0 305.359 3.275 10 5 DGBERN Cn1cc([C@H]2CCCN2Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000172178715 198053155 /nfs/dbraw/zinc/05/31/55/198053155.db2.gz SHXZAUGIXHURCO-OAHLLOKOSA-N 0 0 320.780 3.319 10 5 DGBERN COc1ccc(OCCSCc2cc(C)on2)c([N+](=O)[O-])c1 ZINC000173759875 198249257 /nfs/dbraw/zinc/24/92/57/198249257.db2.gz CYAXJIBDWIDXBN-UHFFFAOYSA-N 0 0 324.358 3.212 10 5 DGBERN Cc1cc(NCC[C@@H](C)NC(=O)OC(C)(C)C)ncc1[N+](=O)[O-] ZINC000173915003 198267760 /nfs/dbraw/zinc/26/77/60/198267760.db2.gz PZHXJUQZRCNGHG-LLVKDONJSA-N 0 0 324.381 3.013 10 5 DGBERN COc1cc(CN(C)Cc2csc([N+](=O)[O-])c2)ccc1O ZINC000174540648 198349619 /nfs/dbraw/zinc/34/96/19/198349619.db2.gz RESHUBWJOMDOSB-UHFFFAOYSA-N 0 0 308.359 3.003 10 5 DGBERN O=C(C=C1CCC1)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000182293527 199414643 /nfs/dbraw/zinc/41/46/43/199414643.db2.gz 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200841495 /nfs/dbraw/zinc/84/14/95/200841495.db2.gz FBXGRJGLKLUIRO-SNVBAGLBSA-N 0 0 317.288 3.179 10 5 DGBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000192532885 200896801 /nfs/dbraw/zinc/89/68/01/200896801.db2.gz DCCSDTZYDALHKM-MRVPVSSYSA-N 0 0 309.395 3.484 10 5 DGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(OCC(C)C)CC1 ZINC000193634489 201091108 /nfs/dbraw/zinc/09/11/08/201091108.db2.gz NWIDLMBJDYPYBP-UHFFFAOYSA-N 0 0 320.389 3.180 10 5 DGBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1cccc2ncccc21 ZINC000067072329 283695463 /nfs/dbraw/zinc/69/54/63/283695463.db2.gz FCBHSDUWOKGQIN-UHFFFAOYSA-N 0 0 307.309 3.073 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)Oc1ccccc1 ZINC000070909797 283740263 /nfs/dbraw/zinc/74/02/63/283740263.db2.gz GZEJROWEWDFLJW-ZDUSSCGKSA-N 0 0 314.341 3.101 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1ccc(F)cc1 ZINC000103377362 284028778 /nfs/dbraw/zinc/02/87/78/284028778.db2.gz CMDUOJYVXNHWBG-NSHDSACASA-N 0 0 314.316 3.254 10 5 DGBERN 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/nfs/dbraw/zinc/43/85/73/284438573.db2.gz CZWHCOMNPLEOOM-UHFFFAOYSA-N 0 0 311.297 3.342 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]2Cn2ccnc2)c2ccncc21 ZINC000267431380 206062652 /nfs/dbraw/zinc/06/26/52/206062652.db2.gz WTVSZMXMOGMCTF-CYBMUJFWSA-N 0 0 323.356 3.009 10 5 DGBERN C[C@H](Nc1ncc([N+](=O)[O-])s1)c1cccc(-n2ccnc2)c1 ZINC000190331800 432145747 /nfs/dbraw/zinc/14/57/47/432145747.db2.gz PVERMIPYSHVCGP-JTQLQIEISA-N 0 0 315.358 3.410 10 5 DGBERN COc1ccc(-c2ccc(C(=O)NC(C)C)o2)c([N+](=O)[O-])c1 ZINC000040374314 183057053 /nfs/dbraw/zinc/05/70/53/183057053.db2.gz DPSTWLDXBSHNQU-UHFFFAOYSA-N 0 0 304.302 3.002 10 5 DGBERN CNc1ncnc(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000040595800 183106777 /nfs/dbraw/zinc/10/67/77/183106777.db2.gz CNYWMBBCYAUOMQ-UHFFFAOYSA-N 0 0 314.132 3.477 10 5 DGBERN CCN(CC)c1ncnc(Sc2ccccc2)c1[N+](=O)[O-] ZINC000040608084 183108944 /nfs/dbraw/zinc/10/89/44/183108944.db2.gz IMSRYILOWWYPLA-UHFFFAOYSA-N 0 0 304.375 3.382 10 5 DGBERN Cc1ccc2cccc(Nc3ncnc(N(C)C)c3[N+](=O)[O-])c2n1 ZINC000040608385 183108965 /nfs/dbraw/zinc/10/89/65/183108965.db2.gz VFWBENDNWOXJOU-UHFFFAOYSA-N 0 0 324.344 3.051 10 5 DGBERN CCSc1nn2cc(-c3cccc([N+](=O)[O-])c3)nc2s1 ZINC000040965144 183152312 /nfs/dbraw/zinc/15/23/12/183152312.db2.gz SOIGJCPMESCKSE-UHFFFAOYSA-N 0 0 306.372 3.478 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(-c2nnco2)c1 ZINC000153820520 284693788 /nfs/dbraw/zinc/69/37/88/284693788.db2.gz RNDXXXWQONNKPC-UHFFFAOYSA-N 0 0 324.296 3.206 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(OCc2nc(-c3ccoc3)no2)c1 ZINC000105572567 194112200 /nfs/dbraw/zinc/11/22/00/194112200.db2.gz RPQRIHUVYMJVIM-UHFFFAOYSA-N 0 0 301.258 3.125 10 5 DGBERN COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000106601034 194236593 /nfs/dbraw/zinc/23/65/93/194236593.db2.gz LILMIRGHKREOFW-CVEARBPZSA-N 0 0 312.325 3.346 10 5 DGBERN CCCN(C[C@@H]1CCCCO1)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000106695257 194245078 /nfs/dbraw/zinc/24/50/78/194245078.db2.gz VOICUSZZPKBCOL-AWEZNQCLSA-N 0 0 320.389 3.325 10 5 DGBERN CC(=O)c1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1 ZINC000110209399 194316260 /nfs/dbraw/zinc/31/62/60/194316260.db2.gz BEHOZGMBEQGDEO-LLVKDONJSA-N 0 0 324.336 3.389 10 5 DGBERN CN(c1ccccc1)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000059200354 184136112 /nfs/dbraw/zinc/13/61/12/184136112.db2.gz QNMFHVHLGOZVAH-UHFFFAOYSA-N 0 0 318.245 3.179 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)n1 ZINC000248664204 285016330 /nfs/dbraw/zinc/01/63/30/285016330.db2.gz KSVLSAOSFVNIQB-RWMBFGLXSA-N 0 0 322.409 3.002 10 5 DGBERN CO[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[C@@H]1C ZINC000251985782 285100877 /nfs/dbraw/zinc/10/08/77/285100877.db2.gz VRECYKDYMWPNBZ-SUMWQHHRSA-N 0 0 322.405 3.239 10 5 DGBERN CC(C)[C@@H](Sc1ncccc1[N+](=O)[O-])C(=O)NC1CCCC1 ZINC000120454122 195169796 /nfs/dbraw/zinc/16/97/96/195169796.db2.gz ZHENZVPIMHLSBR-CYBMUJFWSA-N 0 0 323.418 3.165 10 5 DGBERN O=[N+]([O-])c1cc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cs1 ZINC000289618382 221107002 /nfs/dbraw/zinc/10/70/02/221107002.db2.gz RHNCESOOUWENFF-OCCSQVGLSA-N 0 0 308.403 3.190 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1C[S@@](=O)Cc1ccccc1F ZINC000071924152 184907743 /nfs/dbraw/zinc/90/77/43/184907743.db2.gz UBOYZJLOENPNSV-JOCHJYFZSA-N 0 0 323.345 3.191 10 5 DGBERN CC1(C)CCC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000128031594 195930365 /nfs/dbraw/zinc/93/03/65/195930365.db2.gz GVCKLBIBBYNMNZ-UHFFFAOYSA-N 0 0 320.389 3.449 10 5 DGBERN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)Cc1cc(C)on1 ZINC000470170529 533383408 /nfs/dbraw/zinc/38/34/08/533383408.db2.gz WJPSPQORUPICAY-GHXNOFRVSA-N 0 0 301.346 3.427 10 5 DGBERN Cc1ccccc1[C@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067536824 400180617 /nfs/dbraw/zinc/18/06/17/400180617.db2.gz SNOOWWZZQZRLAY-ZDUSSCGKSA-N 0 0 313.357 3.464 10 5 DGBERN COC(=O)c1cc(C)nc(N[C@@H](C)c2ccsc2)c1[N+](=O)[O-] ZINC000588043184 400182924 /nfs/dbraw/zinc/18/29/24/400182924.db2.gz 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430161977 /nfs/dbraw/zinc/16/19/77/430161977.db2.gz VXYAEZPXDZSOCF-NWDGAFQWSA-N 0 0 303.366 3.408 10 5 DGBERN CO[C@@H]1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC[C@@H]1C ZINC000187977218 277298703 /nfs/dbraw/zinc/29/87/03/277298703.db2.gz GPRJUAMRHSCFMV-IINYFYTJSA-N 0 0 320.389 3.017 10 5 DGBERN COC(=O)c1cc(N2CCC3(CCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000301677155 277423080 /nfs/dbraw/zinc/42/30/80/277423080.db2.gz QXWDUPKOTLAETF-UHFFFAOYSA-N 0 0 304.346 3.070 10 5 DGBERN CO[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[C@@H]1C ZINC000276073445 277750632 /nfs/dbraw/zinc/75/06/32/277750632.db2.gz STUCFIATCNDJCV-NHYWBVRUSA-N 0 0 301.346 3.004 10 5 DGBERN C[C@@H]1COCC[C@@H]1Nc1cc(Br)ccc1[N+](=O)[O-] ZINC000277631108 278852639 /nfs/dbraw/zinc/85/26/39/278852639.db2.gz MZASRBBSISLXCI-SCZZXKLOSA-N 0 0 315.167 3.194 10 5 DGBERN C[C@@H]1CC[C@@H](C)N(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000075277375 431465003 /nfs/dbraw/zinc/46/50/03/431465003.db2.gz OZZROOZLOWYWAE-CHWSQXEVSA-N 0 0 305.378 3.044 10 5 DGBERN C[C@H]1SCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@H]1C ZINC000301281663 280091171 /nfs/dbraw/zinc/09/11/71/280091171.db2.gz KTDSHUPOZJWPHS-WDEREUQCSA-N 0 0 303.387 3.473 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(OCC(=O)Nc2ccccc2F)c1 ZINC000021614313 431627882 /nfs/dbraw/zinc/62/78/82/431627882.db2.gz QTIKBVWTURRXCH-UHFFFAOYSA-N 0 0 304.277 3.060 10 5 DGBERN O=[N+]([O-])c1cc(F)ccc1OCc1nc(C2CCCC2)no1 ZINC000119281942 431670319 /nfs/dbraw/zinc/67/03/19/431670319.db2.gz RDZSQNFPBIZMAH-UHFFFAOYSA-N 0 0 307.281 3.354 10 5 DGBERN C[C@@H]1C[C@@H]1Nc1ccc(I)cc1[N+](=O)[O-] ZINC000082403747 431804804 /nfs/dbraw/zinc/80/48/04/431804804.db2.gz HEBYWLOWFZIALZ-MUWHJKNJSA-N 0 0 318.114 3.020 10 5 DGBERN Cc1cc(C)n([C@@H](C)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000086167343 431842538 /nfs/dbraw/zinc/84/25/38/431842538.db2.gz ZKDMMSHIAOPDPT-ZDUSSCGKSA-N 0 0 316.361 3.225 10 5 DGBERN CC[C@H](NC(=O)Nc1cc(C)on1)c1cccc([N+](=O)[O-])c1 ZINC000090090262 431889111 /nfs/dbraw/zinc/88/91/11/431889111.db2.gz 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432289442 /nfs/dbraw/zinc/28/94/42/432289442.db2.gz MGZIBLFSDJNXPQ-UHFFFAOYSA-N 0 0 322.409 3.100 10 5 DGBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccccc3Cl)no2)n1 ZINC000191684673 432290551 /nfs/dbraw/zinc/29/05/51/432290551.db2.gz BRGSRCXBXSRCSA-UHFFFAOYSA-N 0 0 319.708 3.182 10 5 DGBERN CCc1nc(CNC(=O)c2ccc(CC)c([N+](=O)[O-])c2)cs1 ZINC000174206564 432329378 /nfs/dbraw/zinc/32/93/78/432329378.db2.gz VJMFNWMHWMHXBU-UHFFFAOYSA-N 0 0 319.386 3.106 10 5 DGBERN CCc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000152425366 432332559 /nfs/dbraw/zinc/33/25/59/432332559.db2.gz VVCKRKOHXDBCJX-UHFFFAOYSA-N 0 0 302.305 3.478 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000152688142 432347597 /nfs/dbraw/zinc/34/75/97/432347597.db2.gz IFXFZKWCHUJZLG-UONOGXRCSA-N 0 0 324.764 3.032 10 5 DGBERN Cc1ccc2[nH]c(CNC(=O)c3ccc([N+](=O)[O-])cc3C)nc2c1 ZINC000174908760 432378069 /nfs/dbraw/zinc/37/80/69/432378069.db2.gz GYVSQCKRLNBAOT-UHFFFAOYSA-N 0 0 324.340 3.018 10 5 DGBERN C[C@@H]1CO[C@H](c2ccccc2)CN1c1ncc([N+](=O)[O-])s1 ZINC000192477924 432380308 /nfs/dbraw/zinc/38/03/08/432380308.db2.gz IOYAMHYGDDAKLW-PWSUYJOCSA-N 0 0 305.359 3.018 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000153100444 432383700 /nfs/dbraw/zinc/38/37/00/432383700.db2.gz OUKAKJUASQTZNP-KSZLIROESA-N 0 0 322.364 3.219 10 5 DGBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCC2CCCC2)s1 ZINC000271269448 432364175 /nfs/dbraw/zinc/36/41/75/432364175.db2.gz MDNBDIJUNIQMQN-UHFFFAOYSA-N 0 0 318.420 3.052 10 5 DGBERN CC[C@@H](N[C@H](C)c1nc(C)cc(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000192762888 432411903 /nfs/dbraw/zinc/41/19/03/432411903.db2.gz MIEFSYOYHFZIBM-BXUZGUMPSA-N 0 0 316.361 3.201 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1cc(Cl)cn1C ZINC000154187215 432479964 /nfs/dbraw/zinc/47/99/64/432479964.db2.gz JJBSRZXCEPUHET-UHFFFAOYSA-N 0 0 321.764 3.167 10 5 DGBERN Cc1ccc(OC[C@H](O)COc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000154073991 432470217 /nfs/dbraw/zinc/47/02/17/432470217.db2.gz PCZDGQFVNQFBCZ-HNNXBMFYSA-N 0 0 317.341 3.030 10 5 DGBERN O=C(NC1C2CC3CC(C2)CC1C3)c1csc([N+](=O)[O-])c1 ZINC000193371656 432470952 /nfs/dbraw/zinc/47/09/52/432470952.db2.gz NGUIWJAXOLPMEN-UHFFFAOYSA-N 0 0 306.387 3.211 10 5 DGBERN CCS[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000176763458 432550417 /nfs/dbraw/zinc/55/04/17/432550417.db2.gz MFEVSWGQDBPGCQ-YPMHNXCESA-N 0 0 323.418 3.092 10 5 DGBERN COc1ccccc1[C@H](O)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000176494334 432528780 /nfs/dbraw/zinc/52/87/80/432528780.db2.gz BDJROCFXGQFRKX-OAHLLOKOSA-N 0 0 302.330 3.057 10 5 DGBERN CC(C)[C@H]1C[C@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000185763783 432530242 /nfs/dbraw/zinc/53/02/42/432530242.db2.gz PANOBDYJUWPXAQ-HZPDHXFCSA-N 0 0 302.374 3.378 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2ncco2)c1 ZINC000154972955 432532242 /nfs/dbraw/zinc/53/22/42/432532242.db2.gz SCJXMMGVODOASD-UHFFFAOYSA-N 0 0 324.296 3.206 10 5 DGBERN CC(C)[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000185780052 432532356 /nfs/dbraw/zinc/53/23/56/432532356.db2.gz RHSGHMROWWAFKJ-LSDHHAIUSA-N 0 0 302.374 3.378 10 5 DGBERN CC(C)C[C@H](CO)N(C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000185881436 432540814 /nfs/dbraw/zinc/54/08/14/432540814.db2.gz KWIMCWDWTAORGQ-LLVKDONJSA-N 0 0 318.320 3.039 10 5 DGBERN CC[C@@H](NC(=O)N1CCS[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176702325 432545392 /nfs/dbraw/zinc/54/53/92/432545392.db2.gz IKBZSCPRPSHDHP-BXUZGUMPSA-N 0 0 323.418 3.193 10 5 DGBERN Cc1cc([N+](=O)[O-])cn(CCCc2ccc(Cl)cc2)c1=O ZINC000155802804 432575682 /nfs/dbraw/zinc/57/56/82/432575682.db2.gz FNKDIQJMPTXIAY-UHFFFAOYSA-N 0 0 306.749 3.351 10 5 DGBERN Cc1cc([N+](=O)[O-])cn(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000155898754 432580187 /nfs/dbraw/zinc/58/01/87/432580187.db2.gz TWBDSHCCUDAMRS-UHFFFAOYSA-N 0 0 312.247 3.132 10 5 DGBERN O=C(NCc1ccsc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195494875 432624374 /nfs/dbraw/zinc/62/43/74/432624374.db2.gz BUSWOHGJALHXFE-UHFFFAOYSA-N 0 0 301.327 3.068 10 5 DGBERN O=C(Nc1ccc2n[nH]cc2c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195490485 432624729 /nfs/dbraw/zinc/62/47/29/432624729.db2.gz SFPGEBBMEWOISI-UHFFFAOYSA-N 0 0 321.296 3.205 10 5 DGBERN COc1ccc(F)cc1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000186716025 432625837 /nfs/dbraw/zinc/62/58/37/432625837.db2.gz YEDASFHOPAVMPQ-UHFFFAOYSA-N 0 0 319.292 3.064 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)c1cccs1 ZINC000186854376 432633935 /nfs/dbraw/zinc/63/39/35/432633935.db2.gz WFFLDQUWOCMYJW-SNVBAGLBSA-N 0 0 305.359 3.193 10 5 DGBERN Cc1c(C(=O)N2CCCC2(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000187285237 432655447 /nfs/dbraw/zinc/65/54/47/432655447.db2.gz DMSUZMWPUSTZMG-UHFFFAOYSA-N 0 0 321.333 3.134 10 5 DGBERN CCS[C@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000178102377 432694867 /nfs/dbraw/zinc/69/48/67/432694867.db2.gz CZRIXVLTQDLGCO-ONGXEEELSA-N 0 0 314.432 3.369 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(N[C@H](C)c2ccc(-n3cncn3)cc2)n1 ZINC000178152918 432700156 /nfs/dbraw/zinc/70/01/56/432700156.db2.gz UYSDECYPFKGMKU-GFCCVEGCSA-N 0 0 324.344 3.052 10 5 DGBERN CC(C)COC1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265592096 432712450 /nfs/dbraw/zinc/71/24/50/432712450.db2.gz YJSNDKSQHTUUOL-UHFFFAOYSA-N 0 0 313.785 3.285 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC=Cc2ccccc21 ZINC000188241912 432713042 /nfs/dbraw/zinc/71/30/42/432713042.db2.gz ZNFWPJXHDLXMNA-UHFFFAOYSA-N 0 0 309.325 3.362 10 5 DGBERN Cc1ccc(NC(=O)c2snnc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000188391324 432721602 /nfs/dbraw/zinc/72/16/02/432721602.db2.gz HYADIMFRPMDWTQ-UHFFFAOYSA-N 0 0 320.374 3.305 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]2Cn2ccnc2)c(Cl)c1 ZINC000267345362 432833823 /nfs/dbraw/zinc/83/38/23/432833823.db2.gz FKYNBSPOIFYGHK-LBPRGKRZSA-N 0 0 306.753 3.114 10 5 DGBERN Cc1cc(N(C)Cc2nc3c(s2)CCCC3)ncc1[N+](=O)[O-] ZINC000267020997 432807567 /nfs/dbraw/zinc/80/75/67/432807567.db2.gz IUDUKPXRYVJUAO-UHFFFAOYSA-N 0 0 318.402 3.270 10 5 DGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H](c2cnn(C)c2)C1 ZINC000277868137 432876243 /nfs/dbraw/zinc/87/62/43/432876243.db2.gz UZLQGZXNAFIEDK-LLVKDONJSA-N 0 0 320.780 3.284 10 5 DGBERN CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000341281787 433014940 /nfs/dbraw/zinc/01/49/40/433014940.db2.gz IRPMQSPSTKUHHX-VIFPVBQESA-N 0 0 318.354 3.350 10 5 DGBERN CC(C)[C@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000290748104 433157459 /nfs/dbraw/zinc/15/74/59/433157459.db2.gz MKZXKGQJDLQMLM-CQSZACIVSA-N 0 0 315.377 3.015 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C(C)C)[C@@H]1CCOC1 ZINC000291787915 433349974 /nfs/dbraw/zinc/34/99/74/433349974.db2.gz VTBFBXCOHUYQAD-QSOAKEGCSA-N 0 0 318.373 3.024 10 5 DGBERN O=[N+]([O-])c1cccnc1N1CCC[C@H](COc2ccccc2)C1 ZINC000301269572 433481369 /nfs/dbraw/zinc/48/13/69/433481369.db2.gz GOTABPFTJDIDPC-AWEZNQCLSA-N 0 0 313.357 3.285 10 5 DGBERN CCC[C@@H]1C[C@H]1Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000301441516 433557471 /nfs/dbraw/zinc/55/74/71/433557471.db2.gz MKLZPJOXPYZVNZ-BXUZGUMPSA-N 0 0 305.378 3.334 10 5 DGBERN CCS[C@H]1CC[C@@]1(O)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000301496095 433578061 /nfs/dbraw/zinc/57/80/61/433578061.db2.gz TUSJALXVWGYQSY-QWHCGFSZSA-N 0 0 316.810 3.307 10 5 DGBERN C[C@H](Cc1ccsc1)N(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000301494045 433580756 /nfs/dbraw/zinc/58/07/56/433580756.db2.gz RIYLMOAQXGOQEO-SECBINFHSA-N 0 0 322.415 3.433 10 5 DGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)nc(OC)c1 ZINC000362344703 433655868 /nfs/dbraw/zinc/65/58/68/433655868.db2.gz HZJOPWPQWUZVPB-UHFFFAOYSA-N 0 0 315.329 3.122 10 5 DGBERN Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000301629879 433650647 /nfs/dbraw/zinc/65/06/47/433650647.db2.gz CDJWNEISJHGNCW-LBPRGKRZSA-N 0 0 324.344 3.052 10 5 DGBERN COC(=O)c1cc(N[C@H]2CCC[C@H](OC)C2)cc(C)c1[N+](=O)[O-] ZINC000301780412 433719152 /nfs/dbraw/zinc/71/91/52/433719152.db2.gz NCNMTWXGAXQUAV-AAEUAGOBSA-N 0 0 322.361 3.059 10 5 DGBERN C[C@@H]1CCOCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000374992537 293470038 /nfs/dbraw/zinc/47/00/38/293470038.db2.gz ZJQKICGHOVXAEZ-SNVBAGLBSA-N 0 0 320.370 3.061 10 5 DGBERN CC1(C)CN(c2ccc([N+](=O)[O-])cn2)CC[C@@H]1C(F)(F)F ZINC000302727640 433844167 /nfs/dbraw/zinc/84/41/67/433844167.db2.gz PZTXCUDPXQJLCJ-JTQLQIEISA-N 0 0 303.284 3.405 10 5 DGBERN COc1cc(NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)ccc1O ZINC000436380026 433953512 /nfs/dbraw/zinc/95/35/12/433953512.db2.gz VFSHNGOFTZYVIN-UHFFFAOYSA-N 0 0 317.301 3.261 10 5 DGBERN Cc1sc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000113892958 294070400 /nfs/dbraw/zinc/07/04/00/294070400.db2.gz ISKORMYFGGKIAE-NSHDSACASA-N 0 0 320.374 3.055 10 5 DGBERN COc1ccccc1CC(C)(C)Nc1ccc([N+](=O)[O-])nc1 ZINC000450382423 434140766 /nfs/dbraw/zinc/14/07/66/434140766.db2.gz XEQQMMFZPFXVDX-UHFFFAOYSA-N 0 0 301.346 3.432 10 5 DGBERN C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1cccc(C2CC2)c1 ZINC000450549830 434256469 /nfs/dbraw/zinc/25/64/69/434256469.db2.gz CJUKFXGQUUZAGJ-NSHDSACASA-N 0 0 323.356 3.688 10 5 DGBERN O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CC12CCCC2 ZINC000386908402 434316027 /nfs/dbraw/zinc/31/60/27/434316027.db2.gz MYNRBYJWYZZPLG-SNVBAGLBSA-N 0 0 312.167 3.497 10 5 DGBERN CC(F)(F)CCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000295499211 434388064 /nfs/dbraw/zinc/38/80/64/434388064.db2.gz JZPZLAXLLHOIRC-UHFFFAOYSA-N 0 0 306.696 3.413 10 5 DGBERN Cc1nnc([C@H]2CCCCN2c2cc(C)c([N+](=O)[O-])cc2F)[nH]1 ZINC000360067310 434501955 /nfs/dbraw/zinc/50/19/55/434501955.db2.gz WBXJAJPDQPVPAW-GFCCVEGCSA-N 0 0 319.340 3.200 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC([C@@H]3CCCO3)CC2)n1 ZINC000408411341 434571211 /nfs/dbraw/zinc/57/12/11/434571211.db2.gz GJFJNLOBQCYAOO-AWEZNQCLSA-N 0 0 305.378 3.002 10 5 DGBERN CC1(C)CCCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000408413132 434571830 /nfs/dbraw/zinc/57/18/30/434571830.db2.gz CIILDEJZGFNLMS-UHFFFAOYSA-N 0 0 316.361 3.123 10 5 DGBERN O=[N+]([O-])c1ccc2c(c1)CN(c1ncnc3c1CCCCC3)CC2 ZINC000408411426 434571847 /nfs/dbraw/zinc/57/18/47/434571847.db2.gz HJRFQWLVIMZMQX-UHFFFAOYSA-N 0 0 324.384 3.216 10 5 DGBERN C[C@H](O)CCSc1ccc(Br)cc1[N+](=O)[O-] ZINC000439281640 434586306 /nfs/dbraw/zinc/58/63/06/434586306.db2.gz GPHBDSNMXMOUPM-ZETCQYMHSA-N 0 0 306.181 3.220 10 5 DGBERN CC(=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(=O)[nH]c2)no1 ZINC000445435935 434798627 /nfs/dbraw/zinc/79/86/27/434798627.db2.gz NJIZLDIKBLYBNJ-CSKARUKUSA-N 0 0 324.296 3.306 10 5 DGBERN COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575379943 435032237 /nfs/dbraw/zinc/03/22/37/435032237.db2.gz PAKUYUQFBWNEAA-UHFFFAOYSA-N 0 0 317.141 3.419 10 5 DGBERN CCOC(=O)Cc1cc(Br)c(Cl)cc1[N+](=O)[O-] ZINC000575700463 435047816 /nfs/dbraw/zinc/04/78/16/435047816.db2.gz SYUMEXIRTDZSSF-UHFFFAOYSA-N 0 0 322.542 3.116 10 5 DGBERN COc1ccc([N+](=O)[O-])c(NC[C@@](C)(O)C2CCCCC2)c1 ZINC000516788791 435551939 /nfs/dbraw/zinc/55/19/39/435551939.db2.gz ODOGTGFMQBPBOR-MRXNPFEDSA-N 0 0 308.378 3.347 10 5 DGBERN Cc1cnc(N2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)c([N+](=O)[O-])c1 ZINC000284704075 302349390 /nfs/dbraw/zinc/34/93/90/302349390.db2.gz SVNYUPJRYVCOKO-JJRVBVJISA-N 0 0 319.405 3.208 10 5 DGBERN O=[N+]([O-])c1sc(NCc2ccoc2)nc1NCc1ccoc1 ZINC000172171279 312742615 /nfs/dbraw/zinc/74/26/15/312742615.db2.gz VHMXJKZQACCYEL-UHFFFAOYSA-N 0 0 320.330 3.462 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(C)s1 ZINC000175786067 312771389 /nfs/dbraw/zinc/77/13/89/312771389.db2.gz NWIWJZDDAUDYEK-UHFFFAOYSA-N 0 0 321.358 3.295 10 5 DGBERN CCOC(=O)CC[C@H](C)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000179271792 312802032 /nfs/dbraw/zinc/80/20/32/312802032.db2.gz XLZLTBCJRNWJKL-NSHDSACASA-N 0 0 317.345 3.287 10 5 DGBERN CC(C)[C@@H](C)CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000179530196 312808867 /nfs/dbraw/zinc/80/88/67/312808867.db2.gz HZFYSIJZWVBRNT-NSHDSACASA-N 0 0 303.362 3.027 10 5 DGBERN COc1ccccc1OCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000533255506 313608383 /nfs/dbraw/zinc/60/83/83/313608383.db2.gz CPUJRXUTNHRUHW-UHFFFAOYSA-N 0 0 323.736 3.143 10 5 DGBERN CCOc1cc(N2CC[C@H](C(C)(C)C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000541575939 314023803 /nfs/dbraw/zinc/02/38/03/314023803.db2.gz MLLKRAYUQGSSDS-DZGCQCFKSA-N 0 0 322.405 3.227 10 5 DGBERN CN(C[C@@H]1CC=CCC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000542259806 314065602 /nfs/dbraw/zinc/06/56/02/314065602.db2.gz PZVIOZVZQFWZDC-OAHLLOKOSA-N 0 0 302.374 3.342 10 5 DGBERN COCCN(CCCc1ccccc1)c1ccc([N+](=O)[O-])nc1 ZINC000563292257 315100375 /nfs/dbraw/zinc/10/03/75/315100375.db2.gz HOXINYLICJBCMM-UHFFFAOYSA-N 0 0 315.373 3.075 10 5 DGBERN CC[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1nccs1 ZINC000185067234 323380556 /nfs/dbraw/zinc/38/05/56/323380556.db2.gz SBDYXVUKEFZQEK-JTQLQIEISA-N 0 0 318.358 3.433 10 5 DGBERN COc1cccc([C@@H]2Sc3ccccc3[C@H](O)[C@H]2[N+](=O)[O-])c1 ZINC000584654257 337377739 /nfs/dbraw/zinc/37/77/39/337377739.db2.gz TXHRISINDABPOV-PMPSAXMXSA-N 0 0 317.366 3.221 10 5 DGBERN Nc1cc2cnc(-n3ccc4ccncc43)cc2cc1[N+](=O)[O-] ZINC000584640395 337379917 /nfs/dbraw/zinc/37/99/17/337379917.db2.gz ZPBBGMKBLOSGSN-UHFFFAOYSA-N 0 0 305.297 3.064 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CC[C@H](SC)C2)c1 ZINC000301470236 533996043 /nfs/dbraw/zinc/99/60/43/533996043.db2.gz ISAQVUUYOFLRDE-WPRPVWTQSA-N 0 0 300.355 3.439 10 5 DGBERN C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccccc1 ZINC000301287874 534031246 /nfs/dbraw/zinc/03/12/46/534031246.db2.gz RPTIPETUAFXQIL-VIFPVBQESA-N 0 0 320.736 3.082 10 5 DGBERN C[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCC1=O ZINC000193914129 524526070 /nfs/dbraw/zinc/52/60/70/524526070.db2.gz RPNQBLKCJIZLNL-ZDUSSCGKSA-N 0 0 318.376 3.439 10 5 DGBERN O=C(NCCCc1ccccn1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000178611650 534851322 /nfs/dbraw/zinc/85/13/22/534851322.db2.gz OCVVUKNGPFPASA-UHFFFAOYSA-N 0 0 319.748 3.006 10 5 DGBERN O=[N+]([O-])c1ccc(NCC2(CCO)CC2)cc1C(F)(F)F ZINC000157244351 527363511 /nfs/dbraw/zinc/36/35/11/527363511.db2.gz NRXDLNGZSMCIPL-UHFFFAOYSA-N 0 0 304.268 3.188 10 5 DGBERN CCOC(=O)c1cc(N[C@H]2CCC[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000301785770 528190033 /nfs/dbraw/zinc/19/00/33/528190033.db2.gz PJLDCAFGQFHMBH-AAEUAGOBSA-N 0 0 322.361 3.141 10 5 DGBERN CC(C)c1noc(CCCNc2cccc(F)c2[N+](=O)[O-])n1 ZINC000301220178 528497811 /nfs/dbraw/zinc/49/78/11/528497811.db2.gz ATASQVIOPLNBCW-UHFFFAOYSA-N 0 0 308.313 3.285 10 5 DGBERN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(C(F)F)cc1 ZINC000185402491 546187933 /nfs/dbraw/zinc/18/79/33/546187933.db2.gz LAIREQYVBXKDCE-UHFFFAOYSA-N 0 0 321.283 3.045 10 5 DGBERN O=[N+]([O-])[C@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000299805511 563938997 /nfs/dbraw/zinc/93/89/97/563938997.db2.gz REGUWZVPUVLAMT-IRXDYDNUSA-N 0 0 300.333 3.070 10 5 DGBERN CC(C)c1cnc(COC(=O)c2cc([N+](=O)[O-])ccc2F)o1 ZINC000733448859 574623398 /nfs/dbraw/zinc/62/33/98/574623398.db2.gz DPHUPYPMVWSKSJ-UHFFFAOYSA-N 0 0 308.265 3.202 10 5 DGBERN COC[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1 ZINC000742411319 574997618 /nfs/dbraw/zinc/99/76/18/574997618.db2.gz 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/nfs/dbraw/zinc/16/39/15/621163915.db2.gz FOXGTDDBWDABFV-UHFFFAOYSA-N 0 0 305.286 3.116 10 5 DGBERN O=C(/C=C/c1ccnc(Cl)c1)OCc1cccc([N+](=O)[O-])c1 ZINC000123141037 622470080 /nfs/dbraw/zinc/47/00/80/622470080.db2.gz JMUQQZNWKBQKQR-SNAWJCMRSA-N 0 0 318.716 3.400 10 5 DGBERN C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000134083314 626855498 /nfs/dbraw/zinc/85/54/98/626855498.db2.gz UUZTWVJZGCFDHK-KTKRTIGZSA-N 0 0 315.304 3.479 10 5 DGBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H]1CSCCS1 ZINC000229620026 660608881 /nfs/dbraw/zinc/60/88/81/660608881.db2.gz JMFHSGSYPBRVKE-SNVBAGLBSA-N 0 0 321.427 3.404 10 5 DGBERN C[C@@]1(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1(F)F ZINC000701743262 660681823 /nfs/dbraw/zinc/68/18/23/660681823.db2.gz WIIGEWODNATUPY-NSHDSACASA-N 0 0 304.680 3.023 10 5 DGBERN O=[N+]([O-])c1cccc(CN2C[C@H]3CCC[C@@H]32)c1Br ZINC000706734876 660870042 /nfs/dbraw/zinc/87/00/42/660870042.db2.gz AFAQOVULYMMRAA-KOLCDFICSA-N 0 0 311.179 3.342 10 5 DGBERN CC(C)(C)[S@@](C)(=O)=NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000710155160 660932196 /nfs/dbraw/zinc/93/21/96/660932196.db2.gz PLKFSAPWCRWBRE-HXUWFJFHSA-N 0 0 318.782 3.285 10 5 DGBERN Cc1ccc(CC(=O)NO[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178158507 655716054 /nfs/dbraw/zinc/71/60/54/655716054.db2.gz VDQDALCEMYCJJR-CYBMUJFWSA-N 0 0 314.341 3.255 10 5 DGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC/C=C/c1ccccc1 ZINC000255522304 655790276 /nfs/dbraw/zinc/79/02/76/655790276.db2.gz ROYMJHHGGAPMJR-AHGNYBSDSA-N 0 0 308.337 3.438 10 5 DGBERN COC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000714271570 661198220 /nfs/dbraw/zinc/19/82/20/661198220.db2.gz WNYXAABZUSHUNK-DTORHVGOSA-N 0 0 315.167 3.194 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(NCC[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC000178203609 655961862 /nfs/dbraw/zinc/96/18/62/655961862.db2.gz GFZCQUJCJVNISE-LLVKDONJSA-N 0 0 324.381 3.013 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N)cc1F ZINC000176144330 655965018 /nfs/dbraw/zinc/96/50/18/655965018.db2.gz NRNZODLSNYHASF-SNVBAGLBSA-N 0 0 317.320 3.116 10 5 DGBERN COc1cc(C(=O)OC[C@H]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000072510600 655991771 /nfs/dbraw/zinc/99/17/71/655991771.db2.gz ZGBMRPIIXSLHPV-NSHDSACASA-N 0 0 321.329 3.125 10 5 DGBERN Cc1noc(C)c1CC(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000047176382 656211591 /nfs/dbraw/zinc/21/15/91/656211591.db2.gz FHZSYTCHBDTLJK-SNVBAGLBSA-N 0 0 304.302 3.047 10 5 DGBERN C[C@@H](OC(=O)[C@@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000098161188 657972903 /nfs/dbraw/zinc/97/29/03/657972903.db2.gz VVMGFHJFQDWXEM-XCBNKYQSSA-N 0 0 304.129 3.393 10 5 DGBERN Cc1ccccc1C1=N/C(=C/c2csc([N+](=O)[O-])c2)C(=O)O1 ZINC000054424367 658190796 /nfs/dbraw/zinc/19/07/96/658190796.db2.gz DRNNMGIDZNVTAB-WUXMJOGZSA-N 0 0 314.322 3.309 10 5 DGBERN O=[N+]([O-])c1ccc(OS(=O)(=O)/C=C/c2ccccc2)c(F)c1 ZINC000056065620 658947016 /nfs/dbraw/zinc/94/70/16/658947016.db2.gz GEYGWHGZTNJKIL-CMDGGOBGSA-N 0 0 323.301 3.113 10 5 DGBERN C[C@@H](C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000165864850 659009915 /nfs/dbraw/zinc/00/99/15/659009915.db2.gz VJJLIEBXJOVVGO-NEPJUHHUSA-N 0 0 307.346 3.262 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)o1 ZINC000057464706 659015253 /nfs/dbraw/zinc/01/52/53/659015253.db2.gz UPKKXEDRMDASJZ-GCZGVDRJSA-N 0 0 300.314 3.387 10 5 DGBERN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CCS1 ZINC000174728040 659542755 /nfs/dbraw/zinc/54/27/55/659542755.db2.gz QKIVBQYWKVJYFJ-QMMMGPOBSA-N 0 0 317.208 3.299 10 5 DGBERN CO[C@H](C)CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000174809385 659713204 /nfs/dbraw/zinc/71/32/04/659713204.db2.gz UUUKRLRIZSREGP-SECBINFHSA-N 0 0 309.343 3.391 10 5 DGBERN O=[N+]([O-])c1ccc(Cl)c(CN2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000043425337 661844500 /nfs/dbraw/zinc/84/45/00/661844500.db2.gz QIHWUUKQJZRQKS-GJZGRUSLSA-N 0 0 310.781 3.392 10 5 DGBERN O=[N+]([O-])c1ccc(F)cc1CN1CCN(c2ccccc2)CC1 ZINC000047540438 661877939 /nfs/dbraw/zinc/87/79/39/661877939.db2.gz ARNHVYSYCBCQBN-UHFFFAOYSA-N 0 0 315.348 3.056 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1ccc(Cl)cc1 ZINC000195405868 662188050 /nfs/dbraw/zinc/18/80/50/662188050.db2.gz IPRPZUBBQMBHKX-UHFFFAOYSA-N 0 0 306.705 3.309 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)c1scnc1C1CC1 ZINC000089771921 662247706 /nfs/dbraw/zinc/24/77/06/662247706.db2.gz GCNQYDGRJDAVHV-UHFFFAOYSA-N 0 0 304.327 3.456 10 5 DGBERN C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000719024223 662266872 /nfs/dbraw/zinc/26/68/72/662266872.db2.gz QQLFIWYZHRBAFO-ZETCQYMHSA-N 0 0 314.135 3.313 10 5 DGBERN C[C@@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1cccs1 ZINC000228624047 685118799 /nfs/dbraw/zinc/11/87/99/685118799.db2.gz YYGQUSCXGNCHOI-SSDOTTSWSA-N 0 0 312.297 3.426 10 5 DGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N(C)Cc2ccccc2)c1F ZINC000309998601 1199712764 /nfs/dbraw/zinc/71/27/64/1199712764.db2.gz CUEOJHAEAXFQFS-UHFFFAOYSA-N 0 0 320.295 3.454 10 5 DGBERN Cc1c(Br)ccc(OCC(=O)C(C)C)c1[N+](=O)[O-] ZINC000310640509 1199721946 /nfs/dbraw/zinc/72/19/46/1199721946.db2.gz SXPUTWMGDWAIOA-UHFFFAOYSA-N 0 0 316.151 3.270 10 5 DGBERN C[C@H]1CCC[C@H](C)N1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000214998804 1202400362 /nfs/dbraw/zinc/40/03/62/1202400362.db2.gz GRLLTKQWEOZFAN-UWVGGRQHSA-N 0 0 311.769 3.156 10 5 DGBERN COc1cc(NCC2CCSCC2)c([N+](=O)[O-])cc1OC ZINC000229300437 1202554790 /nfs/dbraw/zinc/55/47/90/1202554790.db2.gz SMERRSYRTKUGPJ-UHFFFAOYSA-N 0 0 312.391 3.167 10 5 DGBERN O=[N+]([O-])c1cc(Cl)c(N[C@@H]2CN3CCC2CC3)c(Cl)c1 ZINC000236044253 1202605179 /nfs/dbraw/zinc/60/51/79/1202605179.db2.gz RHYKBMMVOOZORH-GFCCVEGCSA-N 0 0 316.188 3.408 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(NCc2ccnc(OCC3CC3)c2)n1 ZINC000178220823 1204014048 /nfs/dbraw/zinc/01/40/48/1204014048.db2.gz RPISOQCAXCUASL-UHFFFAOYSA-N 0 0 314.345 3.094 10 5 DGBERN CC(C)c1ccc(C[N@@H+]2CCC[C@H](C(=O)[O-])[C@@H]2C)cc1[N+](=O)[O-] ZINC000263081648 1204334637 /nfs/dbraw/zinc/33/46/37/1204334637.db2.gz RPHSQMFLDDYMBP-WFASDCNBSA-N 0 0 320.389 3.403 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cccnc1 ZINC000588443697 1082286879 /nfs/dbraw/zinc/28/68/79/1082286879.db2.gz GLUUOGJASXYJGY-RAXLEYEMSA-N 0 0 311.341 3.052 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCCCc1cccnc1 ZINC000133161364 1088213669 /nfs/dbraw/zinc/21/36/69/1088213669.db2.gz NMLDXVIGWUOCKK-UHFFFAOYSA-N 0 0 300.314 3.088 10 5 DGBERN Cc1ccc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)cc1 ZINC000050699907 1091742205 /nfs/dbraw/zinc/74/22/05/1091742205.db2.gz VXOZVUVZOXQWGY-UHFFFAOYSA-N 0 0 305.721 3.391 10 5 DGBERN Cc1ccc([C@@H](C)OC(=O)C[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000087378052 185223069 /nfs/dbraw/zinc/22/30/69/185223069.db2.gz RTHWFSZBZINDHR-TZMCWYRMSA-N 0 0 307.346 3.467 10 5 DGBERN CC[C@H](C)CS(=O)(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090222705 185287415 /nfs/dbraw/zinc/28/74/15/185287415.db2.gz HWZAOKCYSPTIGV-FZMZJTMJSA-N 0 0 314.407 3.011 10 5 DGBERN CC[C@H](NC(=O)Cc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000090467517 185297979 /nfs/dbraw/zinc/29/79/79/185297979.db2.gz SDUFLOPFQQVFPN-AWEZNQCLSA-N 0 0 304.371 3.466 10 5 DGBERN CC[C@H](NC(=O)NCCCSC)c1cccc([N+](=O)[O-])c1 ZINC000090583769 185305172 /nfs/dbraw/zinc/30/51/72/185305172.db2.gz YLXFVHFJBLGQJM-ZDUSSCGKSA-N 0 0 311.407 3.098 10 5 DGBERN COc1ccc(NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])cc1 ZINC000008072599 190630568 /nfs/dbraw/zinc/63/05/68/190630568.db2.gz WKINTOWJWREMHF-NSHDSACASA-N 0 0 316.313 3.009 10 5 DGBERN Cc1nn(C)c(N2CC[C@H](c3cc(C)cc(C)c3)C2)c1[N+](=O)[O-] ZINC000302164294 282272496 /nfs/dbraw/zinc/27/24/96/282272496.db2.gz OMROGHQCBAUECR-AWEZNQCLSA-N 0 0 314.389 3.247 10 5 DGBERN COc1cc(NCCCCOC(C)C)c([N+](=O)[O-])cc1F ZINC000181571914 199319905 /nfs/dbraw/zinc/31/99/05/199319905.db2.gz VWICIOWYVQJKIA-UHFFFAOYSA-N 0 0 300.330 3.360 10 5 DGBERN CN(CC1CC(O)C1)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000227538479 201801250 /nfs/dbraw/zinc/80/12/50/201801250.db2.gz XMTSLGUJDUDGFC-UHFFFAOYSA-N 0 0 305.161 3.109 10 5 DGBERN CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H](C)c1cccnc1 ZINC000115222141 185668012 /nfs/dbraw/zinc/66/80/12/185668012.db2.gz RVWMMLGUDPANSK-LLVKDONJSA-N 0 0 317.320 3.352 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1cccc(F)c1 ZINC000123805380 185843788 /nfs/dbraw/zinc/84/37/88/185843788.db2.gz GSRDXDVCUIAVKF-UHFFFAOYSA-N 0 0 302.305 3.315 10 5 DGBERN CCc1ncsc1C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000123994946 185865368 /nfs/dbraw/zinc/86/53/68/185865368.db2.gz YKJXFVXWMOULBJ-GFCCVEGCSA-N 0 0 319.386 3.495 10 5 DGBERN O=[N+]([O-])c1cc(Cc2ccc(F)cc2)cnc1Br ZINC000144279652 186035218 /nfs/dbraw/zinc/03/52/18/186035218.db2.gz VXVDVFGBFFYMEN-UHFFFAOYSA-N 0 0 311.110 3.482 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1-c1nc(-c2cccs2)n[nH]1 ZINC000072237803 191081860 /nfs/dbraw/zinc/08/18/60/191081860.db2.gz YAEGWEILJCLIEX-UHFFFAOYSA-N 0 0 302.315 3.117 10 5 DGBERN Cc1ccc(CC(=O)O[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000084809713 192469619 /nfs/dbraw/zinc/46/96/19/192469619.db2.gz LAYHBMYKZPDXBN-CYBMUJFWSA-N 0 0 314.341 3.454 10 5 DGBERN C[C@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1C ZINC000173008441 198176230 /nfs/dbraw/zinc/17/62/30/198176230.db2.gz ANFSWVNRTNABBD-QWRGUYRKSA-N 0 0 301.346 3.337 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCSCC1 ZINC000183547115 199611445 /nfs/dbraw/zinc/61/14/45/199611445.db2.gz LEZHHCALDPXGSJ-ZHACJKMWSA-N 0 0 306.387 3.010 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NCCC1=CCCC1 ZINC000179118814 432041683 /nfs/dbraw/zinc/04/16/83/432041683.db2.gz YEFYTOKFBMWRAH-UHFFFAOYSA-N 0 0 305.334 3.225 10 5 DGBERN C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1F ZINC000005109256 181204462 /nfs/dbraw/zinc/20/44/62/181204462.db2.gz NEHMLGKUMVEVRZ-JTQLQIEISA-N 0 0 304.277 3.140 10 5 DGBERN Cc1cccc(C)c1OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005419859 181241305 /nfs/dbraw/zinc/24/13/05/181241305.db2.gz MEASATPMEGMXJL-UHFFFAOYSA-N 0 0 300.314 3.229 10 5 DGBERN CC[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1nccs1 ZINC000080317514 192024285 /nfs/dbraw/zinc/02/42/85/192024285.db2.gz UGYXNGOVCZKZJB-ZETCQYMHSA-N 0 0 309.376 3.324 10 5 DGBERN CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 ZINC000005591513 181261191 /nfs/dbraw/zinc/26/11/91/181261191.db2.gz TWWKZWJTPVYGPE-ZETCQYMHSA-N 0 0 315.713 3.075 10 5 DGBERN Cc1nc(NC(=O)C(C)(C)c2cccs2)ccc1[N+](=O)[O-] ZINC000133829429 432070492 /nfs/dbraw/zinc/07/04/92/432070492.db2.gz DBNGYFJOHXOHQO-UHFFFAOYSA-N 0 0 305.359 3.276 10 5 DGBERN Cn1nccc1CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180093416 432078471 /nfs/dbraw/zinc/07/84/71/432078471.db2.gz OXRFHLGDQBNPJT-GOSISDBHSA-N 0 0 322.368 3.208 10 5 DGBERN Cc1n[nH]c2cc(NC(=O)c3csc([N+](=O)[O-])c3)ccc12 ZINC000180328893 432084124 /nfs/dbraw/zinc/08/41/24/432084124.db2.gz CCOIQKXCWKPFSE-UHFFFAOYSA-N 0 0 302.315 3.093 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@H](CO)CC(C)C ZINC000187501854 200120414 /nfs/dbraw/zinc/12/04/14/200120414.db2.gz UPLFSDHCCZMJDK-ZDUSSCGKSA-N 0 0 323.393 3.082 10 5 DGBERN Cc1ccc([C@@H](C)N[C@@H](C)c2nccnc2C)cc1[N+](=O)[O-] ZINC000188225018 200211819 /nfs/dbraw/zinc/21/18/19/200211819.db2.gz QXCOYSGPEORWAY-YPMHNXCESA-N 0 0 300.362 3.413 10 5 DGBERN C[C@@H](NCc1noc2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000180429982 432086554 /nfs/dbraw/zinc/08/65/54/432086554.db2.gz LTIOWUXNUJMQQX-LLVKDONJSA-N 0 0 301.346 3.312 10 5 DGBERN NC1=NC(=O)SC1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000005996555 181304257 /nfs/dbraw/zinc/30/42/57/181304257.db2.gz CEJLRNSTVXWMAM-GHXNOFRVSA-N 0 0 315.310 3.420 10 5 DGBERN C[C@H](CC(=O)OC(C)(C)C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000434950490 238257290 /nfs/dbraw/zinc/25/72/90/238257290.db2.gz KBTLTAMABPUEQN-MRVPVSSYSA-N 0 0 315.757 3.175 10 5 DGBERN COC[C@@H](Nc1ncc(C)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000435943880 238374414 /nfs/dbraw/zinc/37/44/14/238374414.db2.gz FACQEZZIAGKGTB-CYBMUJFWSA-N 0 0 305.309 3.237 10 5 DGBERN COc1ccc2c(c1)CCN2C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000058716770 283649975 /nfs/dbraw/zinc/64/99/75/283649975.db2.gz DPSHGCGNUSAMDR-UHFFFAOYSA-N 0 0 312.325 3.115 10 5 DGBERN COCCCOc1cccc(CNc2ccc([N+](=O)[O-])nc2)c1 ZINC000443886086 239236333 /nfs/dbraw/zinc/23/63/33/239236333.db2.gz BHNNRHXLMHVUMN-UHFFFAOYSA-N 0 0 317.345 3.017 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1c2ccccc2OC[C@@H]1C ZINC000072531945 283749988 /nfs/dbraw/zinc/74/99/88/283749988.db2.gz XZMWQGASJHWKFO-LBPRGKRZSA-N 0 0 312.325 3.331 10 5 DGBERN CC(=O)CCC(C)(C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000452182822 241345060 /nfs/dbraw/zinc/34/50/60/241345060.db2.gz LWDYSTCHUPSTIL-LBPRGKRZSA-N 0 0 306.362 3.167 10 5 DGBERN Cc1c(CNC(=O)N(C)C[C@@H]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000480070598 244696491 /nfs/dbraw/zinc/69/64/91/244696491.db2.gz OYCWMEUEGVNCDO-CQSZACIVSA-N 0 0 317.389 3.401 10 5 DGBERN Cc1ccc(CNc2ccc3ccc(=O)n(C)c3c2)cc1[N+](=O)[O-] ZINC000487151046 245025863 /nfs/dbraw/zinc/02/58/63/245025863.db2.gz CZAXSGYYYVHCBW-UHFFFAOYSA-N 0 0 323.352 3.367 10 5 DGBERN Cc1ccc(-n2c(=O)oc3ccc4ccccc4c3c2=O)cc1 ZINC000015783128 182017382 /nfs/dbraw/zinc/01/73/82/182017382.db2.gz HOMGSFMUGYXUEN-UHFFFAOYSA-N 0 0 303.317 3.406 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C(F)(F)F ZINC000288434621 220139217 /nfs/dbraw/zinc/13/92/17/220139217.db2.gz LHDAONXVLSSLGG-FCZSHJHJSA-N 0 0 302.252 3.065 10 5 DGBERN C[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)[C@H]1c1cccc(F)c1 ZINC000267018415 205749575 /nfs/dbraw/zinc/74/95/75/205749575.db2.gz JHXZDABQSKZZPJ-GXFFZTMASA-N 0 0 304.325 3.055 10 5 DGBERN CCOc1ccc(NC(=O)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000021022612 182261723 /nfs/dbraw/zinc/26/17/23/182261723.db2.gz ZHRUWMBKUNDYMR-UHFFFAOYSA-N 0 0 316.313 3.254 10 5 DGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000135044993 284459175 /nfs/dbraw/zinc/45/91/75/284459175.db2.gz QRPOJHLYUBWNSJ-ZWNOBZJWSA-N 0 0 324.402 3.004 10 5 DGBERN CC(C)NC(=O)c1ccccc1NCc1ccc([N+](=O)[O-])cc1 ZINC000098040852 193777515 /nfs/dbraw/zinc/77/75/15/193777515.db2.gz OKUJCYDGSBKOMS-UHFFFAOYSA-N 0 0 313.357 3.345 10 5 DGBERN Cc1cccc(C(=O)N(C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000036768406 182842042 /nfs/dbraw/zinc/84/20/42/182842042.db2.gz LVCCYYJOIZQHSU-UHFFFAOYSA-N 0 0 302.305 3.315 10 5 DGBERN CCc1csc([C@H]2CCCN(c3ncc([N+](=O)[O-])s3)C2)n1 ZINC000190323014 432143973 /nfs/dbraw/zinc/14/39/73/432143973.db2.gz HFTGIUDIKKZYHR-VIFPVBQESA-N 0 0 324.431 3.454 10 5 DGBERN Cc1ccccc1Nc1[nH]cnc(=NNC(C)(C)C)c1[N+](=O)[O-] ZINC000040648054 183114219 /nfs/dbraw/zinc/11/42/19/183114219.db2.gz WGVUSTIHNZMPOC-UHFFFAOYSA-N 0 0 316.365 3.152 10 5 DGBERN CCN(c1ccccc1)c1ncnc(N2CCCC2)c1[N+](=O)[O-] ZINC000040573241 183104689 /nfs/dbraw/zinc/10/46/89/183104689.db2.gz YWJCBPLJNZQCFH-UHFFFAOYSA-N 0 0 313.361 3.143 10 5 DGBERN CCOc1ncnc(Nc2cc(Cl)ccc2C)c1[N+](=O)[O-] ZINC000040592902 183106819 /nfs/dbraw/zinc/10/68/19/183106819.db2.gz QXDLLANVOOKSTO-UHFFFAOYSA-N 0 0 308.725 3.489 10 5 DGBERN COc1ccccc1Oc1ncnc(NC(C)C)c1[N+](=O)[O-] ZINC000040597835 183107489 /nfs/dbraw/zinc/10/74/89/183107489.db2.gz RDSNNLOGWIJURS-UHFFFAOYSA-N 0 0 304.306 3.006 10 5 DGBERN CCN(CC)c1ncnc(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000040608218 183108597 /nfs/dbraw/zinc/10/85/97/183108597.db2.gz GFWYWXPERKXUJM-UHFFFAOYSA-N 0 0 323.303 3.253 10 5 DGBERN CCN(CC)c1ncnc(Oc2ccc(OC)cc2)c1[N+](=O)[O-] ZINC000040608264 183109138 /nfs/dbraw/zinc/10/91/38/183109138.db2.gz HBJZBINZIZJDIP-UHFFFAOYSA-N 0 0 318.333 3.032 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc2ccccc2c1 ZINC000045201719 183489179 /nfs/dbraw/zinc/48/91/79/183489179.db2.gz AQMACPZBFVBQQE-UHFFFAOYSA-N 0 0 321.336 3.381 10 5 DGBERN O=C(COc1cc(Cl)ccc1[N+](=O)[O-])NC1CCCCC1 ZINC000109744274 194281727 /nfs/dbraw/zinc/28/17/27/194281727.db2.gz WZHAUAJCTPXVPG-UHFFFAOYSA-N 0 0 312.753 3.076 10 5 DGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000110443461 194330572 /nfs/dbraw/zinc/33/05/72/194330572.db2.gz AVADHYHIBFMTCK-NVXWUHKLSA-N 0 0 310.353 3.057 10 5 DGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000110443464 194329909 /nfs/dbraw/zinc/32/99/09/194329909.db2.gz AVADHYHIBFMTCK-DOTOQJQBSA-N 0 0 310.353 3.057 10 5 DGBERN O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1ccc([N+](=O)[O-])o1 ZINC000056350815 184011070 /nfs/dbraw/zinc/01/10/70/184011070.db2.gz TZMQMMRGGMVFFQ-LLVKDONJSA-N 0 0 306.705 3.259 10 5 DGBERN CS[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000117224331 194803276 /nfs/dbraw/zinc/80/32/76/194803276.db2.gz DYKLACCFFBIDPI-NXEZZACHSA-N 0 0 314.432 3.369 10 5 DGBERN COCc1ccc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000177860157 252725506 /nfs/dbraw/zinc/72/55/06/252725506.db2.gz UTDTWDBZEPRYCQ-LLVKDONJSA-N 0 0 318.329 3.134 10 5 DGBERN O=[N+]([O-])c1ccc(CO)cc1N1CCc2c3ccccc3[nH]c2C1 ZINC000302017594 285116426 /nfs/dbraw/zinc/11/64/26/285116426.db2.gz CUAXTUUKSJRERH-UHFFFAOYSA-N 0 0 323.352 3.131 10 5 DGBERN O=[N+]([O-])c1cccc(CN2CCO[C@@H](c3cccs3)C2)c1 ZINC000157752828 197212765 /nfs/dbraw/zinc/21/27/65/197212765.db2.gz JRTBSDWHRAZDKF-CQSZACIVSA-N 0 0 304.371 3.230 10 5 DGBERN O=[N+]([O-])c1ccc(CN2CCO[C@H](c3cccs3)C2)cc1 ZINC000157477840 197189769 /nfs/dbraw/zinc/18/97/69/197189769.db2.gz QAWNHPBHPDJIFB-AWEZNQCLSA-N 0 0 304.371 3.230 10 5 DGBERN O=[N+]([O-])c1ccc(NCc2ccn(Cc3ccccc3)n2)cc1 ZINC000343145418 254105312 /nfs/dbraw/zinc/10/53/12/254105312.db2.gz CEROSFLNTFZDFC-UHFFFAOYSA-N 0 0 308.341 3.452 10 5 DGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000156117492 197087497 /nfs/dbraw/zinc/08/74/97/197087497.db2.gz LNSJLCSYKKYVHO-JTQLQIEISA-N 0 0 319.317 3.388 10 5 DGBERN COc1cc(C(=O)NC2CCC(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000128164488 195941374 /nfs/dbraw/zinc/94/13/74/195941374.db2.gz WMQQKQGASAPYLX-UHFFFAOYSA-N 0 0 306.362 3.302 10 5 DGBERN COCCN(c1ncc([N+](=O)[O-])cc1Cl)[C@H]1CC[C@H](C)C1 ZINC000302723726 533338910 /nfs/dbraw/zinc/33/89/10/533338910.db2.gz NKRAKQQUSNKXLH-QWRGUYRKSA-N 0 0 313.785 3.285 10 5 DGBERN COc1cccc(C(=O)N[C@H](C)c2ccccc2C)c1[N+](=O)[O-] ZINC000193852682 533417485 /nfs/dbraw/zinc/41/74/85/533417485.db2.gz GZEFELBULXRRMG-GFCCVEGCSA-N 0 0 314.341 3.403 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCCC[C@H](SC)C2)c1 ZINC000302168633 292017375 /nfs/dbraw/zinc/01/73/75/292017375.db2.gz LOLKCPTWSHXMIO-LBPRGKRZSA-N 0 0 324.402 3.103 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2CCCO2)no1 ZINC000357087993 285631888 /nfs/dbraw/zinc/63/18/88/285631888.db2.gz NPGRWAJTTFWSCN-LXKVQUBZSA-N 0 0 301.302 3.390 10 5 DGBERN COc1c(C(=O)N[C@@H]2CCC23CCCC3)cccc1[N+](=O)[O-] ZINC000357140837 285651626 /nfs/dbraw/zinc/65/16/26/285651626.db2.gz HGOBJPYPYLPVEY-CYBMUJFWSA-N 0 0 304.346 3.056 10 5 DGBERN O=[N+]([O-])c1ccc(NCc2ccnc(OC(F)F)c2)s1 ZINC000588050745 400182846 /nfs/dbraw/zinc/18/28/46/400182846.db2.gz IKRYGLPIAXXFDW-UHFFFAOYSA-N 0 0 301.274 3.265 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])cc1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000610235848 400227499 /nfs/dbraw/zinc/22/74/99/400227499.db2.gz OACXYEJFHHHVAV-INIZCTEOSA-N 0 0 318.373 3.159 10 5 DGBERN COC(=O)C(C)(C)CSCc1ccc([N+](=O)[O-])cc1F ZINC000601089253 400228569 /nfs/dbraw/zinc/22/85/69/400228569.db2.gz JZEBYVYKQOKLFV-UHFFFAOYSA-N 0 0 301.339 3.166 10 5 DGBERN C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000609796761 400191970 /nfs/dbraw/zinc/19/19/70/400191970.db2.gz NSJGJZQWTLPZMV-CZUORRHYSA-N 0 0 312.373 3.237 10 5 DGBERN COc1ccccc1C(C)(C)CNc1ccc([N+](=O)[O-])nc1 ZINC000609796808 400192129 /nfs/dbraw/zinc/19/21/29/400192129.db2.gz XMUIKFBTFUFHMO-UHFFFAOYSA-N 0 0 301.346 3.388 10 5 DGBERN CCc1ncc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)s1 ZINC000103374766 400309497 /nfs/dbraw/zinc/30/94/97/400309497.db2.gz HGOJFAZESTVSOD-SECBINFHSA-N 0 0 317.370 3.205 10 5 DGBERN CC(=O)C(C)(C)CCC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000610949390 400327070 /nfs/dbraw/zinc/32/70/70/400327070.db2.gz BDJWKIBDGHNEAE-LLVKDONJSA-N 0 0 306.362 3.167 10 5 DGBERN O=[N+]([O-])c1cccc(OCc2noc(-c3ccc(F)cc3)n2)c1 ZINC000030508274 400327913 /nfs/dbraw/zinc/32/79/13/400327913.db2.gz ICUANSWBOQOHKC-UHFFFAOYSA-N 0 0 315.260 3.363 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCS[C@@H](c3ccccc3)C2)cn1 ZINC000611030321 400338806 /nfs/dbraw/zinc/33/88/06/400338806.db2.gz DMZKIWNHWDEJBI-CQSZACIVSA-N 0 0 301.371 3.284 10 5 DGBERN Cc1ncc([N+](=O)[O-])n1CCSc1ccc(N)cc1Cl ZINC000037204524 400393759 /nfs/dbraw/zinc/39/37/59/400393759.db2.gz BYDIOPSOFYLCOA-UHFFFAOYSA-N 0 0 312.782 3.128 10 5 DGBERN CN(Cc1cn(C)nc1C(F)(F)F)c1sccc1[N+](=O)[O-] ZINC000611413635 400396126 /nfs/dbraw/zinc/39/61/26/400396126.db2.gz JHQKSYDWCVWCKB-UHFFFAOYSA-N 0 0 320.296 3.045 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@@H](c3cccs3)C2)n1 ZINC000611617065 400428889 /nfs/dbraw/zinc/42/88/89/400428889.db2.gz APCNWMJDMPMAAB-GFCCVEGCSA-N 0 0 319.386 3.246 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(OCC3CC3)CC2)n1 ZINC000611617022 400429309 /nfs/dbraw/zinc/42/93/09/400429309.db2.gz WUBKHNFPRJVGLG-UHFFFAOYSA-N 0 0 305.378 3.002 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000120183500 400444182 /nfs/dbraw/zinc/44/41/82/400444182.db2.gz NAUVPSKFQXTFGT-FGTMMUONSA-N 0 0 322.364 3.361 10 5 DGBERN CC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000045154032 400512779 /nfs/dbraw/zinc/51/27/79/400512779.db2.gz SWXNOXINQQXSCK-UHFFFAOYSA-N 0 0 304.327 3.420 10 5 DGBERN CSCCCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000126177965 400489322 /nfs/dbraw/zinc/48/93/22/400489322.db2.gz OTOSVKDOJQMTAD-UHFFFAOYSA-N 0 0 302.783 3.121 10 5 DGBERN Cc1ccc([C@@H](C)N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000045441869 400523432 /nfs/dbraw/zinc/52/34/32/400523432.db2.gz ZIRQDTKZNDRTSD-CYBMUJFWSA-N 0 0 313.357 3.440 10 5 DGBERN Cc1ccc([C@H](C)N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000045441870 400523747 /nfs/dbraw/zinc/52/37/47/400523747.db2.gz ZIRQDTKZNDRTSD-ZDUSSCGKSA-N 0 0 313.357 3.440 10 5 DGBERN CC1CCN(c2nc(C3=CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000141015763 400622383 /nfs/dbraw/zinc/62/23/83/400622383.db2.gz USTSOTBNIJLGHX-UHFFFAOYSA-N 0 0 303.362 3.030 10 5 DGBERN Cc1ccc(NC(=O)NCCNc2ccccc2[N+](=O)[O-])s1 ZINC000075408059 400583723 /nfs/dbraw/zinc/58/37/23/400583723.db2.gz GLJJETNPBFPINR-UHFFFAOYSA-N 0 0 320.374 3.198 10 5 DGBERN CC(C)N(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCC1 ZINC000154222304 400693070 /nfs/dbraw/zinc/69/30/70/400693070.db2.gz TYBCRYRKSWIJIG-UHFFFAOYSA-N 0 0 301.346 3.479 10 5 DGBERN O=C(NCc1cscn1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000051191687 400697294 /nfs/dbraw/zinc/69/72/94/400697294.db2.gz BJKRORODGXDSIL-UHFFFAOYSA-N 0 0 312.738 3.026 10 5 DGBERN Cc1cccc2c1N(C(=O)c1cc([N+](=O)[O-])cnc1C)CCC2 ZINC000054277808 400816628 /nfs/dbraw/zinc/81/66/28/400816628.db2.gz BRWSCLSTQQVQNS-UHFFFAOYSA-N 0 0 311.341 3.200 10 5 DGBERN CC(C)Cn1cnnc1[C@@H]1CCCN1c1ccccc1[N+](=O)[O-] ZINC000078022075 400761046 /nfs/dbraw/zinc/76/10/46/400761046.db2.gz UNXJEJUFIHQLCR-HNNXBMFYSA-N 0 0 315.377 3.184 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000173015990 400842734 /nfs/dbraw/zinc/84/27/34/400842734.db2.gz BYIUQZODPWQSKL-HUUCEWRRSA-N 0 0 310.353 3.437 10 5 DGBERN Cc1ccccc1[C@]1(F)CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000619704557 400891864 /nfs/dbraw/zinc/89/18/64/400891864.db2.gz JWKKHFGJSZVNFH-INIZCTEOSA-N 0 0 301.321 3.373 10 5 DGBERN CN(C(=O)n1cnc(-c2cccc([N+](=O)[O-])c2)c1)C1CCCC1 ZINC000221938787 400954069 /nfs/dbraw/zinc/95/40/69/400954069.db2.gz OIPQMWUMUMFFKB-UHFFFAOYSA-N 0 0 314.345 3.301 10 5 DGBERN CC(C)(C)OC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cn2)C1 ZINC000059243825 401089456 /nfs/dbraw/zinc/08/94/56/401089456.db2.gz HPYVUAKCIIUJSP-NSHDSACASA-N 0 0 307.350 3.104 10 5 DGBERN CC(C)(C)[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1cccs1 ZINC000085706745 401173130 /nfs/dbraw/zinc/17/31/30/401173130.db2.gz FPCGRDNVYOAATG-JTQLQIEISA-N 0 0 307.379 3.228 10 5 DGBERN O=[N+]([O-])c1ccc(NC[C@H]2CCN(c3ccccc3F)C2)cn1 ZINC000359955608 286396691 /nfs/dbraw/zinc/39/66/91/286396691.db2.gz VJRKLOKWNVWSSR-GFCCVEGCSA-N 0 0 316.336 3.067 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(C)(C)C)C1 ZINC000408327767 165954152 /nfs/dbraw/zinc/95/41/52/165954152.db2.gz UWWQVODQENUFLE-LBPRGKRZSA-N 0 0 305.378 3.197 10 5 DGBERN CC(C)C[C@H](C)C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000185324470 165000617 /nfs/dbraw/zinc/00/06/17/165000617.db2.gz MXMDMEPQZMHVTF-LBPRGKRZSA-N 0 0 316.361 3.401 10 5 DGBERN CC(C)[C@H]1C[C@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000185352309 165001837 /nfs/dbraw/zinc/00/18/37/165001837.db2.gz GIAIGMICKCLVOD-CHWSQXEVSA-N 0 0 314.345 3.216 10 5 DGBERN CC(C)c1ccc(C(=O)NCc2cscn2)cc1[N+](=O)[O-] ZINC000187511132 165093908 /nfs/dbraw/zinc/09/39/08/165093908.db2.gz PMXGWTVSCBTEAQ-UHFFFAOYSA-N 0 0 305.359 3.105 10 5 DGBERN CN(C(=O)Cc1cnc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000188396211 165121989 /nfs/dbraw/zinc/12/19/89/165121989.db2.gz HLVVWVNUYXATPZ-UHFFFAOYSA-N 0 0 321.336 3.349 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1CNc1ccc(-c2ncn(C)n2)cc1 ZINC000190874578 165218504 /nfs/dbraw/zinc/21/85/04/165218504.db2.gz OSSXYCDTEWQSEL-UHFFFAOYSA-N 0 0 323.356 3.311 10 5 DGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(C2CC2)cc1 ZINC000191312404 165242458 /nfs/dbraw/zinc/24/24/58/165242458.db2.gz UNQAIPMCTOENOD-UHFFFAOYSA-N 0 0 310.353 3.331 10 5 DGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@H](CO)CC(C)C ZINC000191389508 165247785 /nfs/dbraw/zinc/24/77/85/165247785.db2.gz ZMTUDVHMTJARBZ-ZDUSSCGKSA-N 0 0 323.393 3.082 10 5 DGBERN Cc1cc([C@@H]2CN(c3ncc([N+](=O)[O-])s3)CCO2)ccc1F ZINC000192516634 165294586 /nfs/dbraw/zinc/29/45/86/165294586.db2.gz LVKKNPWIXSFGDR-LBPRGKRZSA-N 0 0 323.349 3.077 10 5 DGBERN Cc1cc(NCC[C@@H]2c3ccccc3NC2=O)ccc1[N+](=O)[O-] ZINC000193663418 165329092 /nfs/dbraw/zinc/32/90/92/165329092.db2.gz HECKOANBHGKQPO-CQSZACIVSA-N 0 0 311.341 3.441 10 5 DGBERN Cc1csc([C@H]2CN(c3ccc(F)cc3[N+](=O)[O-])CCO2)n1 ZINC000195313945 165365398 /nfs/dbraw/zinc/36/53/98/165365398.db2.gz UEHYFMHLPZMDKK-CYBMUJFWSA-N 0 0 323.349 3.077 10 5 DGBERN CCOc1ccc(C(=O)N2CC(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000365432159 287131326 /nfs/dbraw/zinc/13/13/26/287131326.db2.gz SEARLFXPLGZNAQ-UHFFFAOYSA-N 0 0 318.373 3.256 10 5 DGBERN CCCN(C[C@@H]1CCCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000171685570 432159934 /nfs/dbraw/zinc/15/99/34/432159934.db2.gz IFJBSWLBIHCDHD-HNNXBMFYSA-N 0 0 321.377 3.408 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000246859474 432175154 /nfs/dbraw/zinc/17/51/54/432175154.db2.gz IHKLAYNSHPDUCX-IXPVHAAZSA-N 0 0 303.362 3.091 10 5 DGBERN CC(C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000130651057 196098840 /nfs/dbraw/zinc/09/88/40/196098840.db2.gz IKLCAGKOGCPOOY-QMMMGPOBSA-N 0 0 315.167 3.132 10 5 DGBERN O=[N+]([O-])c1ccc2nc(NCC3(CCO)CCC3)ccc2c1 ZINC000132651136 196273424 /nfs/dbraw/zinc/27/34/24/196273424.db2.gz SMPBKSFSKYABSX-UHFFFAOYSA-N 0 0 301.346 3.108 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCCS2)c1 ZINC000134359769 196381806 /nfs/dbraw/zinc/38/18/06/196381806.db2.gz AGCUXUUBWXSHFR-NSHDSACASA-N 0 0 310.375 3.079 10 5 DGBERN CS[C@H]1CCCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000151166693 196641690 /nfs/dbraw/zinc/64/16/90/196641690.db2.gz HLNFBSSHMFVOPX-ZDUSSCGKSA-N 0 0 308.403 3.261 10 5 DGBERN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCC12CCC2 ZINC000450035271 304482204 /nfs/dbraw/zinc/48/22/04/304482204.db2.gz OEQJXHAXZZLUNX-UHFFFAOYSA-N 0 0 314.263 3.382 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC(C)(C)C[C@@H]1C ZINC000176681408 228318288 /nfs/dbraw/zinc/31/82/88/228318288.db2.gz UKNWAJLXNJBHQI-HZMBPMFUSA-N 0 0 305.378 3.243 10 5 DGBERN Cc1cc(NC[C@H](O)C(C)(C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000302000290 230027008 /nfs/dbraw/zinc/02/70/08/230027008.db2.gz IVVWWRNBKIZHSA-AWEZNQCLSA-N 0 0 303.362 3.270 10 5 DGBERN O=[N+]([O-])c1ccc(OC[C@@H](O)CC2CCCC2)c2ncccc12 ZINC000191360092 263752782 /nfs/dbraw/zinc/75/27/82/263752782.db2.gz VXVMEKTUXAZQGG-ZDUSSCGKSA-N 0 0 316.357 3.463 10 5 DGBERN CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000191889373 263769879 /nfs/dbraw/zinc/76/98/79/263769879.db2.gz JTGPVSPCLGIXBY-CYBMUJFWSA-N 0 0 308.378 3.147 10 5 DGBERN COc1ccc2c(c1)CCN2C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000194629151 263817296 /nfs/dbraw/zinc/81/72/96/263817296.db2.gz QAMJQJAIMZKDQK-UHFFFAOYSA-N 0 0 313.313 3.198 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000195033247 263825159 /nfs/dbraw/zinc/82/51/59/263825159.db2.gz WXMKHSJEYBCELT-QMMMGPOBSA-N 0 0 321.283 3.067 10 5 DGBERN Cc1c(CNc2cc(Cl)ccc2C(N)=O)cccc1[N+](=O)[O-] ZINC000172872389 432241869 /nfs/dbraw/zinc/24/18/69/432241869.db2.gz AQOGNSYMNNVUIZ-UHFFFAOYSA-N 0 0 319.748 3.268 10 5 DGBERN C[C@@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000043289476 270943066 /nfs/dbraw/zinc/94/30/66/270943066.db2.gz AXMBJEVAEVYHQU-SNVBAGLBSA-N 0 0 305.359 3.217 10 5 DGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000359875984 271005746 /nfs/dbraw/zinc/00/57/46/271005746.db2.gz MBIVCYUFTDVFCC-RQJHMYQMSA-N 0 0 320.296 3.081 10 5 DGBERN CCOc1ccc(C(=O)N2CCC3(CC3)CC2)cc1[N+](=O)[O-] ZINC000370871756 271394657 /nfs/dbraw/zinc/39/46/57/271394657.db2.gz OPDYMLPICOHRGD-UHFFFAOYSA-N 0 0 304.346 3.010 10 5 DGBERN Cc1ccc([C@@H](C)NCc2cc([N+](=O)[O-])cc3c2OCOC3)o1 ZINC000183078205 432256724 /nfs/dbraw/zinc/25/67/24/432256724.db2.gz HZZANRXYUQIHID-LLVKDONJSA-N 0 0 318.329 3.214 10 5 DGBERN C[C@H](CCCC(F)(F)F)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000493664732 429807129 /nfs/dbraw/zinc/80/71/29/429807129.db2.gz ZBFWCRXVHMVMPP-MRVPVSSYSA-N 0 0 317.271 3.171 10 5 DGBERN C[C@@H](C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C)c1cccnc1 ZINC000174030317 278200930 /nfs/dbraw/zinc/20/09/30/278200930.db2.gz VJFOLASLCUKGLV-VXGBXAGGSA-N 0 0 311.341 3.071 10 5 DGBERN Cc1nn(C)c(C)c1[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000108951441 431163537 /nfs/dbraw/zinc/16/35/37/431163537.db2.gz CSVZLFVOKHBFTI-OAHLLOKOSA-N 0 0 300.362 3.287 10 5 DGBERN CCC[NH+](CCC)CC[C@@H](C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000071624598 431282874 /nfs/dbraw/zinc/28/28/74/431282874.db2.gz ITQAVOQVYNLFPE-CQSZACIVSA-N 0 0 308.378 3.275 10 5 DGBERN C[C@@H]1CC[C@H](C)CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000075278431 431465610 /nfs/dbraw/zinc/46/56/10/431465610.db2.gz SDYZSONKBMFBRH-UONOGXRCSA-N 0 0 319.405 3.434 10 5 DGBERN CCO[C@H]1C[C@H](N(C)c2cc(C)c([N+](=O)[O-])cn2)C12CCCC2 ZINC000301420714 279928607 /nfs/dbraw/zinc/92/86/07/279928607.db2.gz DWPPNIMHJKTBOU-GJZGRUSLSA-N 0 0 319.405 3.472 10 5 DGBERN CS[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000117224890 431553918 /nfs/dbraw/zinc/55/39/18/431553918.db2.gz XTVLUYWJMUSOMY-YPMHNXCESA-N 0 0 308.403 3.307 10 5 DGBERN CS[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000117224894 431554748 /nfs/dbraw/zinc/55/47/48/431554748.db2.gz XTVLUYWJMUSOMY-DGCLKSJQSA-N 0 0 308.403 3.307 10 5 DGBERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000117585924 431570154 /nfs/dbraw/zinc/57/01/54/431570154.db2.gz BDGSQKZLJKRPDJ-BZNIZROVSA-N 0 0 312.325 3.122 10 5 DGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000118941525 431626667 /nfs/dbraw/zinc/62/66/67/431626667.db2.gz SRCVHSOAQSJNBT-UONOGXRCSA-N 0 0 324.764 3.032 10 5 DGBERN CSCCCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000119057623 431638771 /nfs/dbraw/zinc/63/87/71/431638771.db2.gz NHLWUORPLFBMPC-UHFFFAOYSA-N 0 0 302.783 3.121 10 5 DGBERN Cc1ccc(C(N)=O)c(O[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000078360226 431663503 /nfs/dbraw/zinc/66/35/03/431663503.db2.gz WCYNIYRJTYCILK-NSHDSACASA-N 0 0 300.314 3.142 10 5 DGBERN Cc1sc(C(=O)N(C)CCc2cccs2)cc1[N+](=O)[O-] ZINC000081299022 431788491 /nfs/dbraw/zinc/78/84/91/431788491.db2.gz NHKRBTSDDSDPCS-UHFFFAOYSA-N 0 0 310.400 3.341 10 5 DGBERN Cc1cc(C)c(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)c(C)c1 ZINC000121456451 431789228 /nfs/dbraw/zinc/78/92/28/431789228.db2.gz FMZARWOCDWGCGI-UHFFFAOYSA-N 0 0 312.325 3.476 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1F ZINC000088235498 431856490 /nfs/dbraw/zinc/85/64/90/431856490.db2.gz CZYYXDMXUOICKU-LBPRGKRZSA-N 0 0 316.332 3.462 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1F ZINC000088235497 431856573 /nfs/dbraw/zinc/85/65/73/431856573.db2.gz CZYYXDMXUOICKU-GFCCVEGCSA-N 0 0 316.332 3.462 10 5 DGBERN CC(C)N(CC(F)F)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000123270117 431860051 /nfs/dbraw/zinc/86/00/51/431860051.db2.gz FDZJLINNVGKSBF-UHFFFAOYSA-N 0 0 311.288 3.192 10 5 DGBERN O=C(c1cn2ccccc2n1)c1cc([N+](=O)[O-])ccc1Cl ZINC000089200932 431861516 /nfs/dbraw/zinc/86/15/16/431861516.db2.gz JYECDDRTKWEMLW-UHFFFAOYSA-N 0 0 301.689 3.127 10 5 DGBERN Cc1sc(C(=O)N(Cc2ccccn2)C2CC2)cc1[N+](=O)[O-] ZINC000045154457 431882627 /nfs/dbraw/zinc/88/26/27/431882627.db2.gz SFSFGLUHFSYQEG-UHFFFAOYSA-N 0 0 317.370 3.165 10 5 DGBERN COc1cccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1F ZINC000090066072 431889486 /nfs/dbraw/zinc/88/94/86/431889486.db2.gz MPHDLDDVWUNYJR-UHFFFAOYSA-N 0 0 304.277 3.303 10 5 DGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCC1CCCC1 ZINC000046872744 431902293 /nfs/dbraw/zinc/90/22/93/431902293.db2.gz WAYWUKQGFOKKQE-UHFFFAOYSA-N 0 0 305.378 3.317 10 5 DGBERN CCCOC(=O)c1cn(C(C)(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000095937233 431927333 /nfs/dbraw/zinc/92/73/33/431927333.db2.gz CIOLAWWLPBBCHY-UHFFFAOYSA-N 0 0 305.334 3.266 10 5 DGBERN CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1ncccc1[N+](=O)[O-] ZINC000127868402 431983166 /nfs/dbraw/zinc/98/31/66/431983166.db2.gz WTMDPRVZWNQUBH-NEPJUHHUSA-N 0 0 323.418 3.262 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3c2OCCC3)c1 ZINC000466614924 281008496 /nfs/dbraw/zinc/00/84/96/281008496.db2.gz ZIIDZMFFCSXZFA-UHFFFAOYSA-N 0 0 312.325 3.481 10 5 DGBERN COCCN(Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1C ZINC000183281093 432277766 /nfs/dbraw/zinc/27/77/66/432277766.db2.gz CUAKUUZKQAXKPL-UHFFFAOYSA-N 0 0 304.346 3.145 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(C)c2cccc(C(C)C)c2)n1 ZINC000191574491 432279871 /nfs/dbraw/zinc/27/98/71/432279871.db2.gz UHJGLUFNYTVOBZ-UHFFFAOYSA-N 0 0 316.361 3.211 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(CC(C)(C)C)CC(C)(C)C)n1 ZINC000191699397 432292058 /nfs/dbraw/zinc/29/20/58/432292058.db2.gz AJTKOHKGTVNUJO-UHFFFAOYSA-N 0 0 324.425 3.346 10 5 DGBERN COC[C@@H](NCc1ccc([N+](=O)[O-])cc1C)c1ccc(C)o1 ZINC000183532853 432302285 /nfs/dbraw/zinc/30/22/85/432302285.db2.gz LOKDJOMIALXXQT-OAHLLOKOSA-N 0 0 304.346 3.282 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCS[C@H](C)CC1 ZINC000191941331 432316837 /nfs/dbraw/zinc/31/68/37/432316837.db2.gz LHKZEGCSFHICFF-XZHRJIJLSA-N 0 0 320.414 3.352 10 5 DGBERN CCc1ccc(C(=O)Nc2nccn2CC(C)C)cc1[N+](=O)[O-] ZINC000174166332 432325570 /nfs/dbraw/zinc/32/55/70/432325570.db2.gz UPMCKPUECUSDTM-UHFFFAOYSA-N 0 0 316.361 3.262 10 5 DGBERN C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000152500300 432336282 /nfs/dbraw/zinc/33/62/82/432336282.db2.gz ZKNUXGMJUJQHEV-SNVBAGLBSA-N 0 0 320.295 3.293 10 5 DGBERN CCOc1cc(C(=O)NC2(CC)CCC2)c([N+](=O)[O-])cc1OC ZINC000174919431 432378908 /nfs/dbraw/zinc/37/89/08/432378908.db2.gz RPCXJTYSWBVLQN-UHFFFAOYSA-N 0 0 322.361 3.065 10 5 DGBERN CCC1(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CCC1 ZINC000174922102 432380681 /nfs/dbraw/zinc/38/06/81/432380681.db2.gz IUVZJWUWYILMEP-UHFFFAOYSA-N 0 0 321.333 3.182 10 5 DGBERN 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Cc1cccc([N+](=O)[O-])c1N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186145729 432561907 /nfs/dbraw/zinc/56/19/07/432561907.db2.gz IJHRPSRXOGCJLS-KBPBESRZSA-N 0 0 318.398 3.177 10 5 DGBERN CC(C)[C@@H]1C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000185752185 432530934 /nfs/dbraw/zinc/53/09/34/432530934.db2.gz KBWXLOWZSZNHPQ-VHSXEESVSA-N 0 0 314.288 3.427 10 5 DGBERN CC(C)[C@H]1C[C@@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000185835699 432538620 /nfs/dbraw/zinc/53/86/20/432538620.db2.gz YFYDYQXBIGKVML-CVEARBPZSA-N 0 0 302.374 3.378 10 5 DGBERN CC[C@H](NC(=O)N1CCSC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000176704094 432544634 /nfs/dbraw/zinc/54/46/34/432544634.db2.gz PLKLNOFHKABVLT-FZMZJTMJSA-N 0 0 323.418 3.193 10 5 DGBERN C[C@@H](C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cccnc1 ZINC000176700362 432544776 /nfs/dbraw/zinc/54/47/76/432544776.db2.gz WMGFUZQOXHINED-LLVKDONJSA-N 0 0 322.324 3.280 10 5 DGBERN C[C@H](c1ccccn1)N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195193582 432610276 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CC[C@@H](NC(=O)CCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000177797172 432661776 /nfs/dbraw/zinc/66/17/76/432661776.db2.gz PXTTXCRQPWELFW-OAHLLOKOSA-N 0 0 302.330 3.388 10 5 DGBERN CC[C@H](NC(=O)[C@H](C)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000177796318 432661850 /nfs/dbraw/zinc/66/18/50/432661850.db2.gz QZCOTLYSACSJLW-WBMJQRKESA-N 0 0 313.357 3.361 10 5 DGBERN O=C(NCC1(CCO)CC1)c1cc2ccccc2c2cccnc12 ZINC000187929884 432693976 /nfs/dbraw/zinc/69/39/76/432693976.db2.gz WVNDQGWWTIZSOQ-UHFFFAOYSA-N 0 0 320.392 3.280 10 5 DGBERN Cc1nnc(CSc2ccc([N+](=O)[O-])cc2F)n1C1CC1 ZINC000187581272 432670629 /nfs/dbraw/zinc/67/06/29/432670629.db2.gz MSBLTSSUIYZDNT-UHFFFAOYSA-N 0 0 308.338 3.261 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCO[C@@H]1C(C)C ZINC000177967868 432679934 /nfs/dbraw/zinc/67/99/34/432679934.db2.gz WDPJQMQDHKACOR-CZUORRHYSA-N 0 0 320.389 3.084 10 5 DGBERN CCC1(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CCC1 ZINC000178593276 432755309 /nfs/dbraw/zinc/75/53/09/432755309.db2.gz 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314739370 /nfs/dbraw/zinc/73/93/70/314739370.db2.gz YRMZKFMMCQRTGJ-UHFFFAOYSA-N 0 0 318.354 3.377 10 5 DGBERN CN(C[C@@H]1CC=CCC1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000557631669 314813512 /nfs/dbraw/zinc/81/35/12/314813512.db2.gz KFWZCCHMWKPRRM-LLVKDONJSA-N 0 0 314.345 3.036 10 5 DGBERN COc1ccc([C@@H](OC)[C@H](C)Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC000560839521 314946283 /nfs/dbraw/zinc/94/62/83/314946283.db2.gz UVSOBCUHLMHBSS-ZBEGNZNMSA-N 0 0 317.345 3.187 10 5 DGBERN Cc1csc([C@H](C)NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000574808784 316002543 /nfs/dbraw/zinc/00/25/43/316002543.db2.gz ICHUDJDHVRQPNH-QWRGUYRKSA-N 0 0 319.386 3.341 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@H]2CCCN(c3cccc(F)c3)C2)cn1 ZINC000575902394 316073636 /nfs/dbraw/zinc/07/36/36/316073636.db2.gz SCZUSMSFPDKDES-AWEZNQCLSA-N 0 0 316.336 3.210 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(F)c(Cl)c1 ZINC000180224109 323224621 /nfs/dbraw/zinc/22/46/21/323224621.db2.gz FJSCELPQXOGKDX-UHFFFAOYSA-N 0 0 323.711 3.367 10 5 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CCOc1cc(N[C@@H](CC)c2cccc([N+](=O)[O-])c2)ncn1 ZINC000302322862 528330296 /nfs/dbraw/zinc/33/02/96/528330296.db2.gz XAQWTDYBAWRQOF-ZDUSSCGKSA-N 0 0 302.334 3.347 10 5 DGBERN CC(C)[C@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000161072170 528970017 /nfs/dbraw/zinc/97/00/17/528970017.db2.gz IEJFMSCBUSWCDF-QMMMGPOBSA-N 0 0 315.167 3.132 10 5 DGBERN CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000297713476 535239910 /nfs/dbraw/zinc/23/99/10/535239910.db2.gz GLZSADISXFIWQA-UHFFFAOYSA-N 0 0 310.659 3.319 10 5 DGBERN CC/C=C\CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000456110640 535258582 /nfs/dbraw/zinc/25/85/82/535258582.db2.gz YATZTMGQXQUTAB-ARJAWSKDSA-N 0 0 302.252 3.310 10 5 DGBERN COc1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000494699531 536608799 /nfs/dbraw/zinc/60/87/99/536608799.db2.gz PRPGLBRHYFLMQA-UHFFFAOYSA-N 0 0 320.276 3.003 10 5 DGBERN O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccc3ccccc3c2)cn1 ZINC000735487726 574703563 /nfs/dbraw/zinc/70/35/63/574703563.db2.gz 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CC[C@H]1CCC[C@@H](OC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000115920217 621159166 /nfs/dbraw/zinc/15/91/66/621159166.db2.gz UBUDASMVOUWZFT-QWHCGFSZSA-N 0 0 309.366 3.002 10 5 DGBERN O=C(C[C@@H]1CCOc2ccccc21)Oc1cccc([N+](=O)[O-])c1 ZINC000117563096 621415942 /nfs/dbraw/zinc/41/59/42/621415942.db2.gz VLXJYLHXPIXRKK-LBPRGKRZSA-N 0 0 313.309 3.457 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1nc2ccccc2[nH]1 ZINC000133199524 626774209 /nfs/dbraw/zinc/77/42/09/626774209.db2.gz SLXPIDPBGBJVSZ-UHFFFAOYSA-N 0 0 311.297 3.137 10 5 DGBERN COCCc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000102117271 629938947 /nfs/dbraw/zinc/93/89/47/629938947.db2.gz WRNZSMMZBRCZND-UHFFFAOYSA-N 0 0 315.325 3.311 10 5 DGBERN CC[C@H]1CCCC[C@H]1OC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000102212966 630005078 /nfs/dbraw/zinc/00/50/78/630005078.db2.gz CXHKNEJRFHMIQX-UONOGXRCSA-N 0 0 323.393 3.310 10 5 DGBERN CN(C)c1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000102634753 630175532 /nfs/dbraw/zinc/17/55/32/630175532.db2.gz 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/nfs/dbraw/zinc/16/50/27/656165027.db2.gz AYAFKHJTMPXUEL-UHFFFAOYSA-N 0 0 319.748 3.224 10 5 DGBERN COCc1ccc(C(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000124811539 656254582 /nfs/dbraw/zinc/25/45/82/656254582.db2.gz ZPDOTICOXZLKHD-UHFFFAOYSA-N 0 0 311.677 3.207 10 5 DGBERN C[C@H](Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)c1cn(C)nn1 ZINC000720567503 657933475 /nfs/dbraw/zinc/93/34/75/657933475.db2.gz OWCFCZDDHFGVSC-LURJTMIESA-N 0 0 316.148 3.203 10 5 DGBERN C[C@H](OC(=O)c1cnn(C(C)(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000098161087 657972717 /nfs/dbraw/zinc/97/27/17/657972717.db2.gz UYURWUBHCKIAKM-NSHDSACASA-N 0 0 317.345 3.464 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000263536102 658270673 /nfs/dbraw/zinc/27/06/73/658270673.db2.gz ZHCUVWZZLDAPHX-WQVCFCJDSA-N 0 0 318.373 3.121 10 5 DGBERN O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)/C=C/c1ccccc1 ZINC000016094193 658313578 /nfs/dbraw/zinc/31/35/78/658313578.db2.gz KDHZSRDOOVWJAA-CMDGGOBGSA-N 0 0 323.301 3.113 10 5 DGBERN CSc1ccc(C(=O)O[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000174954164 658847990 /nfs/dbraw/zinc/84/79/90/658847990.db2.gz NFFUYPXFQDMQOP-LURJTMIESA-N 0 0 309.265 3.424 10 5 DGBERN Cc1cc(C(=O)N[C@H](C)c2cccs2)c(N)c([N+](=O)[O-])c1 ZINC000170798756 659239058 /nfs/dbraw/zinc/23/90/58/659239058.db2.gz DTWLQLODGSGWTR-SECBINFHSA-N 0 0 305.359 3.038 10 5 DGBERN CCOCCCCOC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000174556164 659439128 /nfs/dbraw/zinc/43/91/28/659439128.db2.gz CLLANOYRMNKCPN-UHFFFAOYSA-N 0 0 313.375 3.290 10 5 DGBERN C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000174908070 659912561 /nfs/dbraw/zinc/91/25/61/659912561.db2.gz ZQVBUGDZMWYLHQ-SSDOTTSWSA-N 0 0 309.265 3.181 10 5 DGBERN C[C@@H](OC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000174943103 659913852 /nfs/dbraw/zinc/91/38/52/659913852.db2.gz IKTGKJNRNKZIDG-SECBINFHSA-N 0 0 320.267 3.281 10 5 DGBERN C[C@H](OC(=O)[C@@H]1CSCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000175141763 659916389 /nfs/dbraw/zinc/91/63/89/659916389.db2.gz VKHNJHLVVUPFRW-CABZTGNLSA-N 0 0 313.400 3.048 10 5 DGBERN CC[C@@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000077942216 662047610 /nfs/dbraw/zinc/04/76/10/662047610.db2.gz PDJFRFYONIAYSC-CQSZACIVSA-N 0 0 321.308 3.015 10 5 DGBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCOc2ccccc21 ZINC000078780584 662084811 /nfs/dbraw/zinc/08/48/11/662084811.db2.gz VCSDTPCTNVWXSS-UHFFFAOYSA-N 0 0 318.716 3.287 10 5 DGBERN CC(C)CCO[C@H](C)C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000248246667 662338020 /nfs/dbraw/zinc/33/80/20/662338020.db2.gz HEMRZZVQSZPZRC-SNVBAGLBSA-N 0 0 301.364 3.151 10 5 DGBERN O=C(Nc1cc(Cl)ccn1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000228830894 1176226271 /nfs/dbraw/zinc/22/62/71/1176226271.db2.gz CAZRYBPDHGDDJT-UHFFFAOYSA-N 0 0 313.647 3.174 10 5 DGBERN CC1(C)CC[C@@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000129360169 1176416608 /nfs/dbraw/zinc/41/66/08/1176416608.db2.gz PZNUUVXRDCBBDH-SECBINFHSA-N 0 0 311.769 3.139 10 5 DGBERN CCCCCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000133759468 1201196283 /nfs/dbraw/zinc/19/62/83/1201196283.db2.gz PTXGRVPPRNGJPD-UHFFFAOYSA-N 0 0 320.798 3.025 10 5 DGBERN Cn1cc([N+](=O)[O-])c(NCCc2ccc(Cl)cc2Cl)n1 ZINC000231666961 1202599901 /nfs/dbraw/zinc/59/99/01/1202599901.db2.gz KDRRZGVCNUMTOM-UHFFFAOYSA-N 0 0 315.160 3.290 10 5 DGBERN COC(=O)CCCN(C)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000234510227 1202603639 /nfs/dbraw/zinc/60/36/39/1202603639.db2.gz CIMYTVZTLKIBDM-UHFFFAOYSA-N 0 0 321.160 3.291 10 5 DGBERN O=[N+]([O-])c1cccc(Cl)c1OCc1cnc(Cl)cn1 ZINC000236054782 1202605245 /nfs/dbraw/zinc/60/52/45/1202605245.db2.gz YKNGDVVWRSLESZ-UHFFFAOYSA-N 0 0 300.101 3.271 10 5 DGBERN CCc1nnc(NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)s1 ZINC000588435359 1082265710 /nfs/dbraw/zinc/26/57/10/1082265710.db2.gz CMXJXYDKVHXQEJ-HJWRWDBZSA-N 0 0 318.358 3.051 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC(C1CC1)C1CC1 ZINC000588436292 1082268690 /nfs/dbraw/zinc/26/86/90/1082268690.db2.gz COWVWCUBXRUAJG-KHPPLWFESA-N 0 0 300.358 3.303 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(C)CCCS1 ZINC000588440310 1082284826 /nfs/dbraw/zinc/28/48/26/1082284826.db2.gz CBGFETIKAMOIMA-DMIOIOJGSA-N 0 0 320.414 3.400 10 5 DGBERN COCCCCCOC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588445104 1082290583 /nfs/dbraw/zinc/29/05/83/1082290583.db2.gz FXHWNSSXOXOPEF-SEYXRHQNSA-N 0 0 307.346 3.358 10 5 DGBERN CC1(C)CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCS1 ZINC000081852371 192332228 /nfs/dbraw/zinc/33/22/28/192332228.db2.gz ADMCGJSHGBDUIP-UHFFFAOYSA-N 0 0 319.386 3.044 10 5 DGBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCO[C@H]2CCCC[C@H]21 ZINC000079314459 185164775 /nfs/dbraw/zinc/16/47/75/185164775.db2.gz HQMSDFJWSLZWRM-KGLIPLIRSA-N 0 0 324.764 3.032 10 5 DGBERN O=[N+]([O-])c1ccc(-c2nc(CN3CCCSCC3)co2)cc1 ZINC000089980304 185273444 /nfs/dbraw/zinc/27/34/44/185273444.db2.gz NNJIYPABGDTXHM-UHFFFAOYSA-N 0 0 319.386 3.189 10 5 DGBERN CCc1ccc([C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C(C)(C)C)o1 ZINC000301581987 529726616 /nfs/dbraw/zinc/72/66/16/529726616.db2.gz TWLIGIZGESOGRS-LBPRGKRZSA-N 0 0 319.365 3.322 10 5 DGBERN O=[N+]([O-])c1cc(CN2CCO[C@@H](Cc3ccccc3)C2)cs1 ZINC000181525436 199310800 /nfs/dbraw/zinc/31/08/00/199310800.db2.gz MQWCOXUAWWZQES-HNNXBMFYSA-N 0 0 318.398 3.100 10 5 DGBERN COC(=O)c1cc(NCCCCOC(C)C)cc(C)c1[N+](=O)[O-] ZINC000181568267 199319281 /nfs/dbraw/zinc/31/92/81/199319281.db2.gz HKTOIGROPMJLJY-UHFFFAOYSA-N 0 0 324.377 3.307 10 5 DGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000115171436 185664852 /nfs/dbraw/zinc/66/48/52/185664852.db2.gz GJNUZMYAKHQEDM-AWEZNQCLSA-N 0 0 315.333 3.077 10 5 DGBERN CCc1cc(C)c(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000119519248 185756905 /nfs/dbraw/zinc/75/69/05/185756905.db2.gz KUTGEJULXKQXTD-UHFFFAOYSA-N 0 0 304.302 3.320 10 5 DGBERN CC[C@@H](NC(=O)NC[C@H](C)SC)c1cccc([N+](=O)[O-])c1 ZINC000163873910 186141104 /nfs/dbraw/zinc/14/11/04/186141104.db2.gz XQEJKESSJZDDDH-GXFFZTMASA-N 0 0 311.407 3.097 10 5 DGBERN C[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCS1 ZINC000171358941 197923410 /nfs/dbraw/zinc/92/34/10/197923410.db2.gz ZTVRLSYFRKFYPF-QMMMGPOBSA-N 0 0 315.782 3.217 10 5 DGBERN O=[N+]([O-])c1ccc(-c2ccnc3nc(-c4ccccc4)nn32)cc1 ZINC000072451414 191170199 /nfs/dbraw/zinc/17/01/99/191170199.db2.gz OPEYQFWOFAPJML-UHFFFAOYSA-N 0 0 317.308 3.367 10 5 DGBERN CCCCc1nnc(S[C@@H](C)c2cccc([N+](=O)[O-])c2)n1N ZINC000172941672 198169667 /nfs/dbraw/zinc/16/96/67/198169667.db2.gz LCCLCIKAJYOXEL-JTQLQIEISA-N 0 0 321.406 3.096 10 5 DGBERN CCOc1cc(/C=C2/C[C@@H](C)OC2=O)c([N+](=O)[O-])cc1OCC ZINC000001569889 180873858 /nfs/dbraw/zinc/87/38/58/180873858.db2.gz WTDITGZTCJUXEV-VPMLRQHESA-N 0 0 321.329 3.111 10 5 DGBERN O=c1ccc(C(F)(F)F)cn1-c1ccc([N+](=O)[O-])cc1Cl ZINC000073296565 191301351 /nfs/dbraw/zinc/30/13/51/191301351.db2.gz NARNJHSOWAJMES-UHFFFAOYSA-N 0 0 318.638 3.418 10 5 DGBERN C[C@@H]1CCCC[C@H]1NC(=O)CSc1ccsc1[N+](=O)[O-] ZINC000005069062 181200506 /nfs/dbraw/zinc/20/05/06/181200506.db2.gz GOXXTTXECSQNOQ-NXEZZACHSA-N 0 0 314.432 3.443 10 5 DGBERN COc1cc(OC)cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000005542862 181255423 /nfs/dbraw/zinc/25/54/23/181255423.db2.gz OUNKEIRNTQDVGB-UHFFFAOYSA-N 0 0 316.313 3.173 10 5 DGBERN CC(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000005842760 181288105 /nfs/dbraw/zinc/28/81/05/181288105.db2.gz FHHIVEZXOCDLQE-UHFFFAOYSA-N 0 0 301.140 3.342 10 5 DGBERN CC1(C)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000187287045 200089090 /nfs/dbraw/zinc/08/90/90/200089090.db2.gz WJEYJAIXDUADCH-UHFFFAOYSA-N 0 0 314.288 3.211 10 5 DGBERN O=[N+]([O-])c1cccc(-c2cc(Cn3nnc4ccccc43)on2)c1 ZINC000005949263 181300156 /nfs/dbraw/zinc/30/01/56/181300156.db2.gz NGKICIRAKHSFDX-UHFFFAOYSA-N 0 0 321.296 3.043 10 5 DGBERN CC(=O)Oc1ccc(C(=O)Nc2cc(C)ccc2[N+](=O)[O-])cc1 ZINC000005962246 181301715 /nfs/dbraw/zinc/30/17/15/181301715.db2.gz DIIJYIFCUCXXSF-UHFFFAOYSA-N 0 0 314.297 3.081 10 5 DGBERN O=[N+]([O-])c1ccccc1SNc1ccc2c(c1)OCCO2 ZINC000006222504 181321023 /nfs/dbraw/zinc/32/10/23/181321023.db2.gz RNEZEGHNVBLZSR-UHFFFAOYSA-N 0 0 304.327 3.485 10 5 DGBERN O=[N+]([O-])c1cc(NC(=S)NCc2ccco2)ccc1Cl ZINC000006329418 181330373 /nfs/dbraw/zinc/33/03/73/181330373.db2.gz JPXSNCSBPJZLJG-UHFFFAOYSA-N 0 0 311.750 3.328 10 5 DGBERN COc1ccc(OCc2ccccc2[N+](=O)[O-])cc1C(C)=O ZINC000180712315 432096672 /nfs/dbraw/zinc/09/66/72/432096672.db2.gz SBAUJNOIAVXQNU-UHFFFAOYSA-N 0 0 301.298 3.385 10 5 DGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000480562976 291272187 /nfs/dbraw/zinc/27/21/87/291272187.db2.gz KOMPILOPGCNFIN-WPRPVWTQSA-N 0 0 315.295 3.340 10 5 DGBERN Cc1cc(C(=O)N(C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000006429863 181340824 /nfs/dbraw/zinc/34/08/24/181340824.db2.gz ILHWYCVXISJIBZ-UHFFFAOYSA-N 0 0 302.305 3.315 10 5 DGBERN O=[N+]([O-])c1ccc(N2CC[C@@H](Oc3ccccc3Cl)C2)cn1 ZINC000443690390 239227076 /nfs/dbraw/zinc/22/70/76/239227076.db2.gz FUYKUKRBZYVWHW-GFCCVEGCSA-N 0 0 319.748 3.301 10 5 DGBERN Cc1cc(Cc2noc(-c3cccc(O)c3)n2)ccc1[N+](=O)[O-] ZINC000445234589 239397606 /nfs/dbraw/zinc/39/76/06/239397606.db2.gz MFHBNYNVKBZGNY-UHFFFAOYSA-N 0 0 311.297 3.250 10 5 DGBERN Cn1c(COc2ccc([N+](=O)[O-])cc2Cl)nnc1C1CCC1 ZINC000180977600 432107454 /nfs/dbraw/zinc/10/74/54/432107454.db2.gz DBCUMIMLSLBYGK-UHFFFAOYSA-N 0 0 322.752 3.223 10 5 DGBERN C[C@H]1C[C@H]1Nc1ccc(I)cc1[N+](=O)[O-] ZINC000082403750 283931919 /nfs/dbraw/zinc/93/19/19/283931919.db2.gz HEBYWLOWFZIALZ-IMTBSYHQSA-N 0 0 318.114 3.020 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1ccccc1F ZINC000103377323 284028663 /nfs/dbraw/zinc/02/86/63/284028663.db2.gz UMDFFYKFPGIDNT-LLVKDONJSA-N 0 0 314.316 3.254 10 5 DGBERN Cc1cccc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000103375236 284028773 /nfs/dbraw/zinc/02/87/73/284028773.db2.gz IQSLEOALPMCQAI-ZDUSSCGKSA-N 0 0 310.353 3.424 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1cccc(F)c1 ZINC000103377860 284029373 /nfs/dbraw/zinc/02/93/73/284029373.db2.gz AOOZNSBKHLVXFU-NSHDSACASA-N 0 0 314.316 3.254 10 5 DGBERN CC1(C)CCCC[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000467990545 244013618 /nfs/dbraw/zinc/01/36/18/244013618.db2.gz NBEOCXDZYIJEJD-CQSZACIVSA-N 0 0 304.390 3.470 10 5 DGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccco1 ZINC000116425164 284121262 /nfs/dbraw/zinc/12/12/62/284121262.db2.gz UBHNEMNPPWPDGE-AWEZNQCLSA-N 0 0 315.329 3.235 10 5 DGBERN CN(C)c1ccccc1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000471809679 244250812 /nfs/dbraw/zinc/25/08/12/244250812.db2.gz MBVJACBYVPRPHR-UHFFFAOYSA-N 0 0 306.753 3.321 10 5 DGBERN Cc1nccn1CCCOc1ccc([N+](=O)[O-])c2ncccc12 ZINC000471869641 244261668 /nfs/dbraw/zinc/26/16/68/244261668.db2.gz KZOYUJDMAQZBRO-UHFFFAOYSA-N 0 0 312.329 3.117 10 5 DGBERN COc1ccc(OCc2nc3cc(F)ccc3o2)c([N+](=O)[O-])c1 ZINC000120123667 284161431 /nfs/dbraw/zinc/16/14/31/284161431.db2.gz CEKJYDAMFWNNOH-UHFFFAOYSA-N 0 0 318.260 3.463 10 5 DGBERN Cc1ccc2c(c1)[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](C)C2 ZINC000181243551 432120851 /nfs/dbraw/zinc/12/08/51/432120851.db2.gz KZMKVLWHMRXHGD-ORAYPTAESA-N 0 0 324.380 3.495 10 5 DGBERN Cc1ccc([C@@H]2CN(Cc3ccc(C)c([N+](=O)[O-])c3)CCO2)o1 ZINC000093864763 193321318 /nfs/dbraw/zinc/32/13/18/193321318.db2.gz JSFZAGFFEGQXFH-KRWDZBQOSA-N 0 0 316.357 3.378 10 5 DGBERN CCOc1ccc(NCn2cnc3ccc([N+](=O)[O-])cc32)cc1 ZINC000095850797 193448818 /nfs/dbraw/zinc/44/88/18/193448818.db2.gz ZWVOMWFQLYCDSF-UHFFFAOYSA-N 0 0 312.329 3.413 10 5 DGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccco2)C1 ZINC000246342276 432122007 /nfs/dbraw/zinc/12/20/07/432122007.db2.gz FJYMBIMUDZZNFP-BLLLJJGKSA-N 0 0 302.330 3.322 10 5 DGBERN O=C(N[C@H]1CCCC(F)(F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000488957684 245253273 /nfs/dbraw/zinc/25/32/73/245253273.db2.gz VEQUDFRKKITMAV-QMMMGPOBSA-N 0 0 302.252 3.042 10 5 DGBERN COc1cc(C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000124933080 284266895 /nfs/dbraw/zinc/26/68/95/284266895.db2.gz TYRANYKRTTWBMG-UHFFFAOYSA-N 0 0 300.314 3.473 10 5 DGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H](c2cnn(C)c2)C1 ZINC000277868143 213826332 /nfs/dbraw/zinc/82/63/32/213826332.db2.gz UZLQGZXNAFIEDK-NSHDSACASA-N 0 0 320.780 3.284 10 5 DGBERN O=[N+]([O-])c1c(F)cccc1N1CC[C@H](CNc2ccccn2)C1 ZINC000171364769 432125745 /nfs/dbraw/zinc/12/57/45/432125745.db2.gz OQOIOYYPLPRMHO-GFCCVEGCSA-N 0 0 316.336 3.067 10 5 DGBERN Cc1nc2cc(NC(=O)Cc3ccccc3[N+](=O)[O-])ccc2o1 ZINC000015541774 182005815 /nfs/dbraw/zinc/00/58/15/182005815.db2.gz GOSXCHXWVRSEKS-UHFFFAOYSA-N 0 0 311.297 3.226 10 5 DGBERN C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCCC1 ZINC000015682776 182012506 /nfs/dbraw/zinc/01/25/06/182012506.db2.gz SIZRAPVMSLDLHW-GFCCVEGCSA-N 0 0 306.362 3.201 10 5 DGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000135044933 284458907 /nfs/dbraw/zinc/45/89/07/284458907.db2.gz QRPOJHLYUBWNSJ-GWCFXTLKSA-N 0 0 324.402 3.004 10 5 DGBERN Cc1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000036768252 182842475 /nfs/dbraw/zinc/84/24/75/182842475.db2.gz QNWQBWQLEQIKSZ-UHFFFAOYSA-N 0 0 302.305 3.315 10 5 DGBERN C[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1cccc(Br)c1 ZINC000040454803 183068584 /nfs/dbraw/zinc/06/85/84/183068584.db2.gz DUGQTOYVWMJRRU-MRVPVSSYSA-N 0 0 323.150 3.320 10 5 DGBERN CC(C)Oc1ncnc(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000040659676 183114790 /nfs/dbraw/zinc/11/47/90/183114790.db2.gz WWSVUTOYTSJPHD-UHFFFAOYSA-N 0 0 310.260 3.194 10 5 DGBERN Cc1ccc(CNc2ncnc(NC(C)C)c2[N+](=O)[O-])cc1 ZINC000040597587 183107441 /nfs/dbraw/zinc/10/74/41/183107441.db2.gz RNZOPCPULYPPON-UHFFFAOYSA-N 0 0 301.350 3.126 10 5 DGBERN O=[N+]([O-])c1c(NC2CCCC2)ncnc1NC1CCCCC1 ZINC000040598393 183107749 /nfs/dbraw/zinc/10/77/49/183107749.db2.gz YEQYFNGAVZJXRY-UHFFFAOYSA-N 0 0 305.382 3.484 10 5 DGBERN Cc1ccc(Oc2ncnc(N3CCCC3)c2[N+](=O)[O-])cc1C ZINC000040609359 183109078 /nfs/dbraw/zinc/10/90/78/183109078.db2.gz MULFIHFLTFIVOV-UHFFFAOYSA-N 0 0 314.345 3.394 10 5 DGBERN CCCCN(C)c1ncnc(Oc2ccccc2)c1[N+](=O)[O-] ZINC000040612091 183109122 /nfs/dbraw/zinc/10/91/22/183109122.db2.gz SGULJNLHHUCNMT-UHFFFAOYSA-N 0 0 302.334 3.413 10 5 DGBERN CC(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000040779501 183132978 /nfs/dbraw/zinc/13/29/78/183132978.db2.gz AWSUVLSSNZYLEM-JTQLQIEISA-N 0 0 306.284 3.433 10 5 DGBERN Cc1ccccc1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000040882834 183146162 /nfs/dbraw/zinc/14/61/62/183146162.db2.gz NFMCORDSHWKFIK-UHFFFAOYSA-N 0 0 316.269 3.339 10 5 DGBERN CN(Cc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000043466419 183364999 /nfs/dbraw/zinc/36/49/99/183364999.db2.gz GOFPONCAAGBTKS-UHFFFAOYSA-N 0 0 303.293 3.398 10 5 DGBERN CC(=O)c1ccc(N(C)Cc2csc(C)n2)c([N+](=O)[O-])c1 ZINC000044609337 183427038 /nfs/dbraw/zinc/42/70/38/183427038.db2.gz QJCZKAZHMJZFKZ-UHFFFAOYSA-N 0 0 305.359 3.199 10 5 DGBERN Cc1ccc(OC[C@H](O)COc2cccc(C)c2[N+](=O)[O-])cc1 ZINC000153797920 284692842 /nfs/dbraw/zinc/69/28/42/284692842.db2.gz IFFMXHKRUFMWQO-AWEZNQCLSA-N 0 0 317.341 3.030 10 5 DGBERN Cc1c(OCc2nc(-c3ccoc3)no2)cccc1[N+](=O)[O-] ZINC000105573507 194111498 /nfs/dbraw/zinc/11/14/98/194111498.db2.gz HLQLQXLBNXTLQZ-UHFFFAOYSA-N 0 0 301.258 3.125 10 5 DGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000105713578 194120634 /nfs/dbraw/zinc/12/06/34/194120634.db2.gz IWVXVHBTVICICW-NSHDSACASA-N 0 0 323.345 3.410 10 5 DGBERN O=[N+]([O-])c1c(N[C@@H]2C[C@H]2c2ccccc2)nc2sccn21 ZINC000105900981 194165471 /nfs/dbraw/zinc/16/54/71/194165471.db2.gz YWWRIIODVCWXGQ-WDEREUQCSA-N 0 0 300.343 3.272 10 5 DGBERN COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000106601038 194236457 /nfs/dbraw/zinc/23/64/57/194236457.db2.gz LILMIRGHKREOFW-HZPDHXFCSA-N 0 0 312.325 3.346 10 5 DGBERN COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000106601032 194236527 /nfs/dbraw/zinc/23/65/27/194236527.db2.gz LILMIRGHKREOFW-HOTGVXAUSA-N 0 0 312.325 3.346 10 5 DGBERN O=C(NCc1cscn1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000050407145 183785306 /nfs/dbraw/zinc/78/53/06/183785306.db2.gz XSCHTMKWWLVINZ-UHFFFAOYSA-N 0 0 319.367 3.196 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCc2ccccc21 ZINC000110370565 194325971 /nfs/dbraw/zinc/32/59/71/194325971.db2.gz QLLOBQFZEORSOV-AWEZNQCLSA-N 0 0 310.353 3.363 10 5 DGBERN O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000110456267 194331216 /nfs/dbraw/zinc/33/12/16/194331216.db2.gz LHBHVQDMVIOYRF-RYUDHWBXSA-N 0 0 302.355 3.190 10 5 DGBERN Cc1nc(COC(=O)c2ccc([N+](=O)[O-])cc2C)c(C)s1 ZINC000160987676 197455223 /nfs/dbraw/zinc/45/52/23/197455223.db2.gz CJIYINGQPAILBP-UHFFFAOYSA-N 0 0 306.343 3.334 10 5 DGBERN CC[C@@H](NC(=O)Nc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000175187664 252688106 /nfs/dbraw/zinc/68/81/06/252688106.db2.gz QXHNHIVDDDMLPC-CQSZACIVSA-N 0 0 300.318 3.263 10 5 DGBERN CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000175372783 252690918 /nfs/dbraw/zinc/69/09/18/252690918.db2.gz NUXIPVKNYBISPM-SECBINFHSA-N 0 0 321.358 3.319 10 5 DGBERN C[C@H](C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cccnc1 ZINC000176700347 252708084 /nfs/dbraw/zinc/70/80/84/252708084.db2.gz WMGFUZQOXHINED-NSHDSACASA-N 0 0 322.324 3.280 10 5 DGBERN O=[N+]([O-])c1cc(Br)cc2nc(C(F)(F)F)[nH]c21 ZINC000005425285 285081935 /nfs/dbraw/zinc/08/19/35/285081935.db2.gz USUPLSWSXSTERT-UHFFFAOYSA-N 0 0 310.029 3.252 10 5 DGBERN O=c1[nH]cnc2cc(N[C@H]3CCc4ccccc43)c([N+](=O)[O-])cc21 ZINC000253616818 285098137 /nfs/dbraw/zinc/09/81/37/285098137.db2.gz IXSVAWCQTSUPMF-ZDUSSCGKSA-N 0 0 322.324 3.343 10 5 DGBERN O=[N+]([O-])c1ccc(CO)cc1N1CC=C(c2cccs2)CC1 ZINC000302042487 285115763 /nfs/dbraw/zinc/11/57/63/285115763.db2.gz OBTKEQDMOIRCIR-UHFFFAOYSA-N 0 0 316.382 3.442 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@H]2CCCO[C@H]2c2ccncc2)c(F)c1 ZINC000336937050 285135988 /nfs/dbraw/zinc/13/59/88/285135988.db2.gz VECHDASKCWBYHQ-HOTGVXAUSA-N 0 0 317.320 3.461 10 5 DGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccncc1 ZINC000158308739 197261761 /nfs/dbraw/zinc/26/17/61/197261761.db2.gz KBWCHQDGZBGQNZ-NSHDSACASA-N 0 0 305.359 3.241 10 5 DGBERN Cc1sc(C(=O)NC/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000255499134 285159091 /nfs/dbraw/zinc/15/90/91/285159091.db2.gz NAQSOURNRLQYHH-YVMONPNESA-N 0 0 302.355 3.408 10 5 DGBERN Cc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c(O)c1 ZINC000120323705 195143882 /nfs/dbraw/zinc/14/38/82/195143882.db2.gz ZNVQQNDCHWXVTK-UHFFFAOYSA-N 0 0 311.297 3.342 10 5 DGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@@H]1CC=CCC1 ZINC000444897002 533140235 /nfs/dbraw/zinc/14/02/35/533140235.db2.gz DWUIYZUGAWGXFS-GFCCVEGCSA-N 0 0 319.361 3.423 10 5 DGBERN COC(=O)[C@@]12CCC[C@@H]1CN(c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000302151025 533154023 /nfs/dbraw/zinc/15/40/23/533154023.db2.gz HQSRQIHCRSJGLV-MEBBXXQBSA-N 0 0 324.764 3.028 10 5 DGBERN CC[C@H](NC(=O)C1=C(C)OCCC1)c1cccc([N+](=O)[O-])c1 ZINC000155210487 197032948 /nfs/dbraw/zinc/03/29/48/197032948.db2.gz RFIQSQPUWFEVLR-HNNXBMFYSA-N 0 0 304.346 3.247 10 5 DGBERN O=[N+]([O-])c1ccc(NCc2nc3ccccc3n2C2CC2)nc1 ZINC000302166035 285277162 /nfs/dbraw/zinc/27/71/62/285277162.db2.gz RHAHKGZZFSEYEA-UHFFFAOYSA-N 0 0 309.329 3.287 10 5 DGBERN CCc1noc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000120923082 195265878 /nfs/dbraw/zinc/26/58/78/195265878.db2.gz JRMXCUFQGBMSBU-UHFFFAOYSA-N 0 0 309.709 3.359 10 5 DGBERN CC(=O)N[C@@H](CC(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000072114184 184930694 /nfs/dbraw/zinc/93/06/94/184930694.db2.gz KYFZPEXUTDLNGF-HNNXBMFYSA-N 0 0 312.325 3.045 10 5 DGBERN O=[N+]([O-])c1ccc(F)cc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000302824351 296505614 /nfs/dbraw/zinc/50/56/14/296505614.db2.gz WQTVMXRPWXHERB-MRXNPFEDSA-N 0 0 320.295 3.451 10 5 DGBERN CO[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[C@H]1C ZINC000302551049 285775177 /nfs/dbraw/zinc/77/51/77/285775177.db2.gz JXRMTMXVGBCBGH-IAQYHMDHSA-N 0 0 301.346 3.004 10 5 DGBERN COc1ccc2c(c1)C1(CC1)CN(c1ccc([N+](=O)[O-])nc1)C2 ZINC000357593556 285798041 /nfs/dbraw/zinc/79/80/41/285798041.db2.gz CFDLRFXVHBBPOY-UHFFFAOYSA-N 0 0 311.341 3.050 10 5 DGBERN NC(=O)c1ccc(CSc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000016133397 400171390 /nfs/dbraw/zinc/17/13/90/400171390.db2.gz IPDAODXKMFOAHN-UHFFFAOYSA-N 0 0 324.308 3.264 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])cc1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000610235849 400227285 /nfs/dbraw/zinc/22/72/85/400227285.db2.gz OACXYEJFHHHVAV-MRXNPFEDSA-N 0 0 318.373 3.159 10 5 DGBERN CCc1cnc(CNc2ccc([N+](=O)[O-])c(C(=O)OC)c2)s1 ZINC000092658295 400191570 /nfs/dbraw/zinc/19/15/70/400191570.db2.gz DPHYDUNRDMQZLJ-UHFFFAOYSA-N 0 0 321.358 3.012 10 5 DGBERN Cc1cnc(N2C[C@@H](c3ccccc3)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000610516396 400269318 /nfs/dbraw/zinc/26/93/18/400269318.db2.gz MOELRQAKSKHHJR-BBRMVZONSA-N 0 0 313.357 3.265 10 5 DGBERN C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC000610526135 400271802 /nfs/dbraw/zinc/27/18/02/400271802.db2.gz JAKQSMKJYUGIQD-SNVBAGLBSA-N 0 0 319.748 3.177 10 5 DGBERN COc1ccc(C(=O)NCc2csc(C)c2C)cc1[N+](=O)[O-] ZINC000096542556 400275534 /nfs/dbraw/zinc/27/55/34/400275534.db2.gz CZDJTHZQFJFOIL-UHFFFAOYSA-N 0 0 320.370 3.212 10 5 DGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCNc2ccccc2C1 ZINC000610928881 400325112 /nfs/dbraw/zinc/32/51/12/400325112.db2.gz NPXDVSASUZTYEI-UHFFFAOYSA-N 0 0 304.737 3.075 10 5 DGBERN CC(=O)C(C)(C)CCC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000611408138 400394608 /nfs/dbraw/zinc/39/46/08/400394608.db2.gz VODJNTQPDXLQNH-NSHDSACASA-N 0 0 306.362 3.167 10 5 DGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N(C1CCC1)C1CCC1 ZINC000590458650 400387372 /nfs/dbraw/zinc/38/73/72/400387372.db2.gz CMFHOBIRZYMYAG-UHFFFAOYSA-N 0 0 324.327 3.349 10 5 DGBERN Cc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)[nH]1 ZINC000611212163 400360465 /nfs/dbraw/zinc/36/04/65/400360465.db2.gz WRLMTLNZSLMBCX-UHFFFAOYSA-N 0 0 313.357 3.345 10 5 DGBERN CCc1ccc(OCC(=O)Nc2ccccc2F)c([N+](=O)[O-])c1 ZINC000115200771 400393857 /nfs/dbraw/zinc/39/38/57/400393857.db2.gz SFNWLKIBTNSOOL-UHFFFAOYSA-N 0 0 318.304 3.314 10 5 DGBERN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCCOc2c(Cl)cccc21 ZINC000611415528 400397459 /nfs/dbraw/zinc/39/74/59/400397459.db2.gz CLKJBTODBJMZCB-NSHDSACASA-N 0 0 322.752 3.308 10 5 DGBERN COC(=O)c1cc(OC)ccc1Oc1ccccc1[N+](=O)[O-] ZINC000115907019 400402803 /nfs/dbraw/zinc/40/28/03/400402803.db2.gz LEJMWQFXDANWPC-UHFFFAOYSA-N 0 0 303.270 3.182 10 5 DGBERN COC(=O)c1ccc(Sc2ccc(N)c(F)c2)c([N+](=O)[O-])c1 ZINC000116222842 400407690 /nfs/dbraw/zinc/40/76/90/400407690.db2.gz OMHXFCMHAOXMKG-UHFFFAOYSA-N 0 0 322.317 3.254 10 5 DGBERN COc1ccc2c(c1)CN(c1nc(C)cc(C)c1[N+](=O)[O-])CC2 ZINC000611616984 400428959 /nfs/dbraw/zinc/42/89/59/400428959.db2.gz ZSQBEBCFIMXOPB-UHFFFAOYSA-N 0 0 313.357 3.178 10 5 DGBERN CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(F)c(F)c1 ZINC000045514176 400526484 /nfs/dbraw/zinc/52/64/84/400526484.db2.gz QAUFZCLKPFEUSX-UHFFFAOYSA-N 0 0 321.283 3.243 10 5 DGBERN CCCN(CC1CC1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129905720 400532074 /nfs/dbraw/zinc/53/20/74/400532074.db2.gz DKPILSLKGNARQQ-UHFFFAOYSA-N 0 0 301.346 3.338 10 5 DGBERN CCc1[nH]nc(C(=O)N(C)c2cccc3ccccc32)c1[N+](=O)[O-] ZINC000618195901 400547218 /nfs/dbraw/zinc/54/72/18/400547218.db2.gz XMIYVRFPXIDNKW-UHFFFAOYSA-N 0 0 324.340 3.310 10 5 DGBERN CCOc1cc(N2CCC3(CCOCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000612457626 400548679 /nfs/dbraw/zinc/54/86/79/400548679.db2.gz AEOIWHBPTNYEON-CYBMUJFWSA-N 0 0 320.389 3.389 10 5 DGBERN CC[C@@H](C=O)[C@H](C[N+](=O)[O-])c1ccc(Br)cc1 ZINC000139761399 400610657 /nfs/dbraw/zinc/61/06/57/400610657.db2.gz ZKHYPMADUKLPNI-CABZTGNLSA-N 0 0 300.152 3.035 10 5 DGBERN CCOc1cccc(N2CCC[C@]3(CCCOC3)C2)c1[N+](=O)[O-] ZINC000613046254 400647277 /nfs/dbraw/zinc/64/72/77/400647277.db2.gz CLFDBFMWKQDURO-KRWDZBQOSA-N 0 0 320.389 3.391 10 5 DGBERN COCc1cncc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000613172600 400667307 /nfs/dbraw/zinc/66/73/07/400667307.db2.gz PDYGKJCHFKZYFR-UHFFFAOYSA-N 0 0 315.329 3.005 10 5 DGBERN CN(Cc1noc2c1CCCC2)Cc1ccccc1[N+](=O)[O-] ZINC000171732180 400805824 /nfs/dbraw/zinc/80/58/24/400805824.db2.gz DOIASKPUFURGJE-UHFFFAOYSA-N 0 0 301.346 3.094 10 5 DGBERN Cc1cc(NC(=O)NC[C@H](C)c2ccncc2)ccc1[N+](=O)[O-] ZINC000613779271 400789265 /nfs/dbraw/zinc/78/92/65/400789265.db2.gz OFMZDBRSWAISEA-LBPRGKRZSA-N 0 0 314.345 3.223 10 5 DGBERN O=[N+]([O-])c1cnc(N2CCC[C@]3(CCCOC3)C2)c(Cl)c1 ZINC000080688540 400981624 /nfs/dbraw/zinc/98/16/24/400981624.db2.gz KOJVCUVAZJDHMA-AWEZNQCLSA-N 0 0 311.769 3.040 10 5 DGBERN COc1cccc([C@H](CO)Nc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000080648896 400974315 /nfs/dbraw/zinc/97/43/15/400974315.db2.gz HRKHUICRPRJCIC-HNNXBMFYSA-N 0 0 302.330 3.057 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N2C[C@H](C)S[C@@H](C)C2)c1 ZINC000080651953 400974818 /nfs/dbraw/zinc/97/48/18/400974818.db2.gz GHAUYVXYCTYLAK-IUCAKERBSA-N 0 0 300.355 3.073 10 5 DGBERN C[C@H]1CCCCCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000408026039 299744703 /nfs/dbraw/zinc/74/47/03/299744703.db2.gz VPYFEJJBGNKFJJ-NSHDSACASA-N 0 0 301.346 3.481 10 5 DGBERN CCn1c(C)nc([N+](=O)[O-])c1Nc1cccc(N(C)C)c1C ZINC000361042336 286583536 /nfs/dbraw/zinc/58/35/36/286583536.db2.gz KLRBISKXAARSBP-UHFFFAOYSA-N 0 0 303.366 3.238 10 5 DGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000361073780 286591015 /nfs/dbraw/zinc/59/10/15/286591015.db2.gz MRUUUVDAVKLUPH-KGLIPLIRSA-N 0 0 318.373 3.050 10 5 DGBERN COC[C@H](Nc1ccc([N+](=O)[O-])nc1)c1ccc(Cl)cc1 ZINC000362661383 286846349 /nfs/dbraw/zinc/84/63/49/286846349.db2.gz DMOOQOQTVVPNGG-ZDUSSCGKSA-N 0 0 307.737 3.443 10 5 DGBERN Cc1nc(NC(=O)c2cccc3ncccc32)ccc1[N+](=O)[O-] ZINC000133574358 164581603 /nfs/dbraw/zinc/58/16/03/164581603.db2.gz AOXLRBCPLLVZSN-UHFFFAOYSA-N 0 0 308.297 3.099 10 5 DGBERN CCOc1ccc(CNC(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000171666748 164635605 /nfs/dbraw/zinc/63/56/05/164635605.db2.gz KDUCNRMFXGBAKV-UHFFFAOYSA-N 0 0 324.333 3.124 10 5 DGBERN CCSCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000173304286 164693683 /nfs/dbraw/zinc/69/36/83/164693683.db2.gz KJFVZTLBYWTXRJ-MRVPVSSYSA-N 0 0 302.421 3.226 10 5 DGBERN O=C(Nc1ccncc1[N+](=O)[O-])N1CC=C(c2ccccc2)CC1 ZINC000183547930 164953524 /nfs/dbraw/zinc/95/35/24/164953524.db2.gz PEMFVNMMBRMOLC-UHFFFAOYSA-N 0 0 324.340 3.311 10 5 DGBERN CCOc1cccc(N(C)CCc2ncc(C)s2)c1[N+](=O)[O-] ZINC000184140408 164969438 /nfs/dbraw/zinc/96/94/38/164969438.db2.gz DCQYJJLWVORQPG-UHFFFAOYSA-N 0 0 321.402 3.437 10 5 DGBERN CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000186714069 165056991 /nfs/dbraw/zinc/05/69/91/165056991.db2.gz GLUFVMNBGLRONP-UONOGXRCSA-N 0 0 314.345 3.011 10 5 DGBERN COc1ccc([C@H]2C[C@H](C)N(c3ncc([N+](=O)[O-])s3)C2)cc1 ZINC000192459631 165293353 /nfs/dbraw/zinc/29/33/53/165293353.db2.gz UWVNMYAIIFJYID-JQWIXIFHSA-N 0 0 319.386 3.442 10 5 DGBERN Nc1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3nccs3)C2)c1 ZINC000192786834 165305486 /nfs/dbraw/zinc/30/54/86/165305486.db2.gz OZEACJZMFZQIDL-SNVBAGLBSA-N 0 0 304.375 3.018 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCc2cccnc21 ZINC000193868362 165333445 /nfs/dbraw/zinc/33/34/45/165333445.db2.gz LDLCPGZGMIFLAU-AWEZNQCLSA-N 0 0 311.341 3.357 10 5 DGBERN CC[C@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])c1nccs1 ZINC000194739931 165354457 /nfs/dbraw/zinc/35/44/57/165354457.db2.gz BDOXYTUGRPJJJC-JTQLQIEISA-N 0 0 305.359 3.241 10 5 DGBERN CC[C@@](C)(CCO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000228614164 165390591 /nfs/dbraw/zinc/39/05/91/165390591.db2.gz AOMCOUKUYKERDC-LBPRGKRZSA-N 0 0 317.183 3.320 10 5 DGBERN Cc1ccc2c(c1)[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](C)C2 ZINC000182217007 432167605 /nfs/dbraw/zinc/16/76/05/432167605.db2.gz VUSKWHZREPJMDF-BFUOFWGJSA-N 0 0 324.380 3.495 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000246859457 432174700 /nfs/dbraw/zinc/17/47/00/432174700.db2.gz IHKLAYNSHPDUCX-IFUGULHKSA-N 0 0 303.362 3.091 10 5 DGBERN COc1cc(Cl)ccc1CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302060316 230071470 /nfs/dbraw/zinc/07/14/70/230071470.db2.gz RSKQAKMNFAQNIL-UHFFFAOYSA-N 0 0 322.748 3.361 10 5 DGBERN CO[C@H]1CN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC[C@@H]1C ZINC000302528381 230284317 /nfs/dbraw/zinc/28/43/17/230284317.db2.gz DTXAXVOARLXMQC-ZANVPECISA-N 0 0 316.304 3.057 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000194805609 263820830 /nfs/dbraw/zinc/82/08/30/263820830.db2.gz XWPPEDWCUCUQRY-LRDDRELGSA-N 0 0 320.389 3.228 10 5 DGBERN Cc1ccnc(N[C@H](C)COCc2ccccc2)c1[N+](=O)[O-] ZINC000172780928 432235575 /nfs/dbraw/zinc/23/55/75/432235575.db2.gz NWBGKWLWNOCELX-CYBMUJFWSA-N 0 0 301.346 3.315 10 5 DGBERN Cc1ccc([C@H](C)NCc2cc([N+](=O)[O-])cc3c2OCOC3)o1 ZINC000183078227 432255459 /nfs/dbraw/zinc/25/54/59/432255459.db2.gz HZZANRXYUQIHID-NSHDSACASA-N 0 0 318.329 3.214 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@H]2Cc3ccccc3[C@@H]2O)c2ccncc21 ZINC000170982140 275037167 /nfs/dbraw/zinc/03/71/67/275037167.db2.gz DCIWFOPMIMXPIC-WMZOPIPTSA-N 0 0 321.336 3.213 10 5 DGBERN C/C(=C1\N=C(c2ccccc2)OC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000039193339 275399063 /nfs/dbraw/zinc/39/90/63/275399063.db2.gz RXPYALJOCZDNCR-RVDMUPIBSA-N 0 0 308.293 3.329 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCC([C@H]3CCCO3)CC2)c1 ZINC000302576842 277379930 /nfs/dbraw/zinc/37/99/30/277379930.db2.gz RZUBXXDOENJPNW-OAHLLOKOSA-N 0 0 324.352 3.138 10 5 DGBERN COC(=O)[C@]12CCC[C@@H]1CN(c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000302162034 277416103 /nfs/dbraw/zinc/41/61/03/277416103.db2.gz KAYPSPQKTZDTFM-BMIGLBTASA-N 0 0 324.764 3.028 10 5 DGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000480554556 278076402 /nfs/dbraw/zinc/07/64/02/278076402.db2.gz NTZHQIDFBMYQQK-SVRRBLITSA-N 0 0 309.675 3.420 10 5 DGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000480548510 278089313 /nfs/dbraw/zinc/08/93/13/278089313.db2.gz DQLICXYGLWEVEL-HTRCEHHLSA-N 0 0 309.675 3.420 10 5 DGBERN C[C@@H](C(=O)N1CCCc2c([N+](=O)[O-])cccc21)c1cccnc1 ZINC000162007050 278191659 /nfs/dbraw/zinc/19/16/59/278191659.db2.gz GYFRNYZYMDWFEG-GFCCVEGCSA-N 0 0 311.341 3.073 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCc2cccnc21 ZINC000193868345 278866000 /nfs/dbraw/zinc/86/60/00/278866000.db2.gz LDLCPGZGMIFLAU-CQSZACIVSA-N 0 0 311.341 3.357 10 5 DGBERN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H](C)C2 ZINC000181219819 278890271 /nfs/dbraw/zinc/89/02/71/278890271.db2.gz KGIYHVQJNFRLBX-MEBBXXQBSA-N 0 0 300.314 3.160 10 5 DGBERN O=C(Cc1ccccc1[N+](=O)[O-])NCCCc1cccc(F)c1 ZINC000068177359 431114787 /nfs/dbraw/zinc/11/47/87/431114787.db2.gz RULKYPGEELEMNO-UHFFFAOYSA-N 0 0 316.332 3.025 10 5 DGBERN C[C@@H]1SCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@H]1C ZINC000301281662 279072914 /nfs/dbraw/zinc/07/29/14/279072914.db2.gz KTDSHUPOZJWPHS-QWRGUYRKSA-N 0 0 303.387 3.473 10 5 DGBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@H]1CCOc2ccccc21 ZINC000007215258 431338683 /nfs/dbraw/zinc/33/86/83/431338683.db2.gz WRFLWCPMKCPZPQ-FDMDGMSGSA-N 0 0 324.336 3.248 10 5 DGBERN Cc1c(CN2CCCC[C@H]2c2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000114203109 431380338 /nfs/dbraw/zinc/38/03/38/431380338.db2.gz GYIHTZDRFBKWON-INIZCTEOSA-N 0 0 300.362 3.354 10 5 DGBERN O=[N+]([O-])c1cccc(F)c1CN1CCCC[C@H]1c1cn[nH]c1 ZINC000114483320 431390668 /nfs/dbraw/zinc/39/06/68/431390668.db2.gz BVWKMJZSPYUATE-AWEZNQCLSA-N 0 0 304.325 3.184 10 5 DGBERN C[C@@H]1CC[C@H](C)N(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000075288209 431464461 /nfs/dbraw/zinc/46/44/61/431464461.db2.gz RPJGSYGVVGROMC-MNOVXSKESA-N 0 0 301.346 3.337 10 5 DGBERN CC(=O)Nc1cccc(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000075285310 431464678 /nfs/dbraw/zinc/46/46/78/431464678.db2.gz IGPSXPBDBNVEAS-UHFFFAOYSA-N 0 0 313.313 3.114 10 5 DGBERN C[C@@H]1CC[C@@H](C)N(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000075288327 431466133 /nfs/dbraw/zinc/46/61/33/431466133.db2.gz AXDABTJABSVZTE-CHWSQXEVSA-N 0 0 306.362 3.011 10 5 DGBERN CC(C)c1csc(NC(=O)COc2ccccc2[N+](=O)[O-])n1 ZINC000010637054 431467906 /nfs/dbraw/zinc/46/79/06/431467906.db2.gz DGBHQCNCNMYMQK-UHFFFAOYSA-N 0 0 321.358 3.192 10 5 DGBERN CCOc1ccc(C(=O)N2C[C@@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000075292083 431468806 /nfs/dbraw/zinc/46/88/06/431468806.db2.gz CSDWJGPNKCAJHO-NWDGAFQWSA-N 0 0 306.362 3.254 10 5 DGBERN Cc1csc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000116146725 431489246 /nfs/dbraw/zinc/48/92/46/431489246.db2.gz IFRJIVSXMCMFBD-UHFFFAOYSA-N 0 0 319.386 3.333 10 5 DGBERN C[C@@H]1CC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000121289041 431767404 /nfs/dbraw/zinc/76/74/04/431767404.db2.gz QSRIZSKEIQCQKB-NEPJUHHUSA-N 0 0 313.357 3.404 10 5 DGBERN Cc1cccc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000085637501 431841472 /nfs/dbraw/zinc/84/14/72/431841472.db2.gz VOHITHRYIUYUPK-UHFFFAOYSA-N 0 0 314.345 3.237 10 5 DGBERN O=C(c1cn2ccccc2n1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000089200935 431861384 /nfs/dbraw/zinc/86/13/84/431861384.db2.gz JTSPRCLGDWPVLK-UHFFFAOYSA-N 0 0 301.689 3.127 10 5 DGBERN Cc1nn(C)c(C)c1C(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084809852 431833775 /nfs/dbraw/zinc/83/37/75/431833775.db2.gz GCWDXBULFFZLEG-LBPRGKRZSA-N 0 0 317.345 3.172 10 5 DGBERN CC[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000036562767 431839163 /nfs/dbraw/zinc/83/91/63/431839163.db2.gz LWRAEVPCPKJZAU-AWEZNQCLSA-N 0 0 314.341 3.241 10 5 DGBERN Cc1cccc(Oc2ncncc2Br)c1[N+](=O)[O-] ZINC000090783002 431894458 /nfs/dbraw/zinc/89/44/58/431894458.db2.gz BKSKEFUAZYMVLZ-UHFFFAOYSA-N 0 0 310.107 3.248 10 5 DGBERN Cc1ncc(CN(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000046770218 431900543 /nfs/dbraw/zinc/90/05/43/431900543.db2.gz PGNQVYMUQHPGMA-UHFFFAOYSA-N 0 0 311.388 3.002 10 5 DGBERN Cc1cc(C)n2nc(SCc3csc([N+](=O)[O-])c3)nc2n1 ZINC000047171516 431906447 /nfs/dbraw/zinc/90/64/47/431906447.db2.gz VFPJRPGLRSBYPD-UHFFFAOYSA-N 0 0 321.387 3.003 10 5 DGBERN C[C@H](Nc1ncc(Br)cc1[N+](=O)[O-])c1cccnc1 ZINC000048552554 431927604 /nfs/dbraw/zinc/92/76/04/431927604.db2.gz QXUWRDXDPXQFPB-QMMMGPOBSA-N 0 0 323.150 3.320 10 5 DGBERN O=[N+]([O-])c1ccccc1CN1CCO[C@@H](c2ccsc2)C1 ZINC000126570620 431953215 /nfs/dbraw/zinc/95/32/15/431953215.db2.gz LJYGOSFGYBFSHP-OAHLLOKOSA-N 0 0 304.371 3.230 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000052895516 431959054 /nfs/dbraw/zinc/95/90/54/431959054.db2.gz VMPGJQPZUOHFKA-SWLSCSKDSA-N 0 0 303.362 3.093 10 5 DGBERN CCOc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000054143571 431968022 /nfs/dbraw/zinc/96/80/22/431968022.db2.gz QDGZHAUEBQMZBM-UHFFFAOYSA-N 0 0 320.370 3.293 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)n1 ZINC000191501211 432270110 /nfs/dbraw/zinc/27/01/10/432270110.db2.gz GSLLHCXOYUAMRV-NEPJUHHUSA-N 0 0 322.409 3.146 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1CN(C)Cc1nccn1C(F)F ZINC000183267855 432276348 /nfs/dbraw/zinc/27/63/48/432276348.db2.gz CEBYZHOHQMKHFR-UHFFFAOYSA-N 0 0 310.304 3.127 10 5 DGBERN Cc1ccc([C@@H]2COCCN2Cc2ccc([N+](=O)[O-])cc2C)o1 ZINC000183352093 432285034 /nfs/dbraw/zinc/28/50/34/432285034.db2.gz FUQKTULHNGAZSC-INIZCTEOSA-N 0 0 316.357 3.378 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC[C@H](C)CC(C)(C)C)n1 ZINC000191720659 432295433 /nfs/dbraw/zinc/29/54/33/432295433.db2.gz HIAKIPIKHSNJRQ-NSHDSACASA-N 0 0 310.398 3.003 10 5 DGBERN COc1ccc2c(c1)CCN2C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000058715962 431997078 /nfs/dbraw/zinc/99/70/78/431997078.db2.gz YLTWUFRINCKLAA-UHFFFAOYSA-N 0 0 312.325 3.115 10 5 DGBERN COc1ccc2c(c1)CCN2C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000058717093 431997260 /nfs/dbraw/zinc/99/72/60/431997260.db2.gz FOMSRBUQZMSRIY-UHFFFAOYSA-N 0 0 312.325 3.115 10 5 DGBERN CCc1ccc(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1F ZINC000152454171 432333910 /nfs/dbraw/zinc/33/39/10/432333910.db2.gz IFQRGMDCTWIBFQ-UHFFFAOYSA-N 0 0 317.320 3.007 10 5 DGBERN O=[N+]([O-])c1ccc(CNc2cccc3c2OCC[C@@H]3O)cc1 ZINC000184060797 432351147 /nfs/dbraw/zinc/35/11/47/432351147.db2.gz WPGLXWJFYAHWQQ-HNNXBMFYSA-N 0 0 300.314 3.023 10 5 DGBERN COc1cccc(F)c1[C@@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000174496743 432351801 /nfs/dbraw/zinc/35/18/01/432351801.db2.gz SJPSPUBFIJIHNF-MRVPVSSYSA-N 0 0 324.333 3.295 10 5 DGBERN Cc1ccc(CNc2cccc3c2OCC[C@@H]3O)cc1[N+](=O)[O-] ZINC000184075193 432351964 /nfs/dbraw/zinc/35/19/64/432351964.db2.gz NMNFXRDIMFZVDD-INIZCTEOSA-N 0 0 314.341 3.331 10 5 DGBERN COc1cccc(F)c1[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000174504388 432352626 /nfs/dbraw/zinc/35/26/26/432352626.db2.gz QFZYAWGZUPFXJC-SNVBAGLBSA-N 0 0 318.304 3.234 10 5 DGBERN C[C@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCS1 ZINC000191939351 432315527 /nfs/dbraw/zinc/31/55/27/432315527.db2.gz KFKMYYCHEPNPIY-JTQLQIEISA-N 0 0 319.386 3.044 10 5 DGBERN O=C(NCCc1ccsc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000192469723 432377745 /nfs/dbraw/zinc/37/77/45/432377745.db2.gz IDORUYYSXOEZIS-UHFFFAOYSA-N 0 0 310.762 3.282 10 5 DGBERN CCO[C@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])s2)C12CCCC2 ZINC000192462733 432378522 /nfs/dbraw/zinc/37/85/22/432378522.db2.gz GVNIWGDEKDYAPZ-MNOVXSKESA-N 0 0 311.407 3.225 10 5 DGBERN Cc1nccn1C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000271437570 432396032 /nfs/dbraw/zinc/39/60/32/432396032.db2.gz XAYDVPDXZYPUCD-HNNXBMFYSA-N 0 0 300.362 3.077 10 5 DGBERN CC[C@H](NC(=O)OCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000175187886 432409619 /nfs/dbraw/zinc/40/96/19/432409619.db2.gz WTRZIQINLGFLOH-JTQLQIEISA-N 0 0 306.240 3.334 10 5 DGBERN COC(=O)c1cc(NC(=O)[C@@H](C)CC(C)C)cc([N+](=O)[O-])c1 ZINC000185384228 432496029 /nfs/dbraw/zinc/49/60/29/432496029.db2.gz VGGMEHRBTAKOKO-JTQLQIEISA-N 0 0 308.334 3.002 10 5 DGBERN CC(C)C[C@H](C)C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000185426439 432499061 /nfs/dbraw/zinc/49/90/61/432499061.db2.gz BDAVXKNYCIAZTL-JTQLQIEISA-N 0 0 317.349 3.001 10 5 DGBERN COc1cccc(C(=O)N[C@@H](C)c2ccccc2C)c1[N+](=O)[O-] ZINC000193852702 432504616 /nfs/dbraw/zinc/50/46/16/432504616.db2.gz GZEFELBULXRRMG-LBPRGKRZSA-N 0 0 314.341 3.403 10 5 DGBERN CCS[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000176763409 432551336 /nfs/dbraw/zinc/55/13/36/432551336.db2.gz MFEVSWGQDBPGCQ-WCQYABFASA-N 0 0 323.418 3.092 10 5 DGBERN COc1cccc(N(C)CCc2ncc(C)s2)c1[N+](=O)[O-] ZINC000185629130 432519118 /nfs/dbraw/zinc/51/91/18/432519118.db2.gz NCUDDUMCUBOEKA-UHFFFAOYSA-N 0 0 307.375 3.047 10 5 DGBERN CCOC(=O)[C@]1(C)CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000154911507 432529028 /nfs/dbraw/zinc/52/90/28/432529028.db2.gz MAXWQENPDDHKCR-CQSZACIVSA-N 0 0 312.753 3.028 10 5 DGBERN Cc1c(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)ccn1C ZINC000195140447 432607382 /nfs/dbraw/zinc/60/73/82/432607382.db2.gz WXMMKETUDNNNRB-UHFFFAOYSA-N 0 0 315.373 3.293 10 5 DGBERN Cc1ccc([C@@H](C)OC(=O)CC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000176946200 432569881 /nfs/dbraw/zinc/56/98/81/432569881.db2.gz BTMKZMSVSBNCMC-CHWSQXEVSA-N 0 0 307.346 3.324 10 5 DGBERN Cc1c(OCc2nnc(-c3ccccc3)n2C)cccc1[N+](=O)[O-] ZINC000156560679 432600531 /nfs/dbraw/zinc/60/05/31/432600531.db2.gz OWQQOMNGUXPXNI-UHFFFAOYSA-N 0 0 324.340 3.278 10 5 DGBERN O=[N+]([O-])c1ccc(CCN2CCO[C@H](c3cccs3)C2)cc1 ZINC000157392334 432619565 /nfs/dbraw/zinc/61/95/65/432619565.db2.gz RFRAOCSVOITXAB-HNNXBMFYSA-N 0 0 318.398 3.272 10 5 DGBERN O=C(NCCc1ccsc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195493465 432624246 /nfs/dbraw/zinc/62/42/46/432624246.db2.gz ICBXJYNXCUCLDD-UHFFFAOYSA-N 0 0 315.354 3.110 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCc1ccccc1 ZINC000195524094 432626542 /nfs/dbraw/zinc/62/65/42/432626542.db2.gz XZRKOCVIOSYZPH-GFCCVEGCSA-N 0 0 313.357 3.049 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000195524276 432626638 /nfs/dbraw/zinc/62/66/38/432626638.db2.gz PMEVPCHSRZJTQT-UHFFFAOYSA-N 0 0 323.255 3.152 10 5 DGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC(C)(C)O2)c1 ZINC000187348854 432659246 /nfs/dbraw/zinc/65/92/46/432659246.db2.gz IIRAAHDDOTWCSU-SNVBAGLBSA-N 0 0 324.402 3.004 10 5 DGBERN CC[C@@H](NC(=O)c1oc(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000177814190 432664413 /nfs/dbraw/zinc/66/44/13/432664413.db2.gz BJUKZMRHMJNAPD-CYBMUJFWSA-N 0 0 303.318 3.081 10 5 DGBERN CC[C@H](NC(=O)c1oc(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000177814181 432664630 /nfs/dbraw/zinc/66/46/30/432664630.db2.gz BJUKZMRHMJNAPD-ZDUSSCGKSA-N 0 0 303.318 3.081 10 5 DGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCC1=CCCC1 ZINC000160341773 432716456 /nfs/dbraw/zinc/71/64/56/432716456.db2.gz OFXORMYCCDEFBQ-UHFFFAOYSA-N 0 0 308.765 3.407 10 5 DGBERN Cc1ccn(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000161402133 432776020 /nfs/dbraw/zinc/77/60/20/432776020.db2.gz IMRRLHZBLAVDHL-UHFFFAOYSA-N 0 0 322.324 3.341 10 5 DGBERN C[C@H]1COCC[C@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000277287883 432834679 /nfs/dbraw/zinc/83/46/79/432834679.db2.gz ADMZMJLABJYUNR-GZMMTYOYSA-N 0 0 315.167 3.194 10 5 DGBERN COc1cc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000268387274 432867837 /nfs/dbraw/zinc/86/78/37/432867837.db2.gz LCLQKGHDWLBSEC-GLXFQSAKSA-N 0 0 310.325 3.112 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCCO[C@@H]2c2ccncc2)c(F)c1 ZINC000336937051 433195749 /nfs/dbraw/zinc/19/57/49/433195749.db2.gz VECHDASKCWBYHQ-HZPDHXFCSA-N 0 0 317.320 3.461 10 5 DGBERN Cc1sc(C(=O)NCCCSCC(C)C)cc1[N+](=O)[O-] ZINC000158496687 292770204 /nfs/dbraw/zinc/77/02/04/292770204.db2.gz KZCVMGCUIGQUHW-UHFFFAOYSA-N 0 0 316.448 3.474 10 5 DGBERN CC(C)(C)[C@H](O)CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000301238583 433462035 /nfs/dbraw/zinc/46/20/35/433462035.db2.gz NGGGLLOEDMRCHG-LLVKDONJSA-N 0 0 317.183 3.176 10 5 DGBERN COCCSc1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301425811 433551197 /nfs/dbraw/zinc/55/11/97/433551197.db2.gz GSKCZLPUUDEAGC-UHFFFAOYSA-N 0 0 305.359 3.099 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@H](CO)c2ccco2)cc1C(F)(F)F ZINC000301472852 433570141 /nfs/dbraw/zinc/57/01/41/433570141.db2.gz LFCNDMBSAAVSKO-SNVBAGLBSA-N 0 0 316.235 3.352 10 5 DGBERN CCS[C@H]1CC[C@@]1(O)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000301477026 433573360 /nfs/dbraw/zinc/57/33/60/433573360.db2.gz BNFQWNGPUYJULT-QWHCGFSZSA-N 0 0 316.810 3.307 10 5 DGBERN COc1cc(N2CCSC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000301635709 433650660 /nfs/dbraw/zinc/65/06/60/433650660.db2.gz LGAJFYJKVQXUOI-UHFFFAOYSA-N 0 0 300.355 3.074 10 5 DGBERN COC(=O)c1cc(N[C@H]2CCC[C@@H](OC)C2)cc(C)c1[N+](=O)[O-] ZINC000301780414 433721680 /nfs/dbraw/zinc/72/16/80/433721680.db2.gz NCNMTWXGAXQUAV-WCQYABFASA-N 0 0 322.361 3.059 10 5 DGBERN Cn1cc(-c2cccc(CNc3ccc([N+](=O)[O-])cn3)c2)cn1 ZINC000301870255 433766941 /nfs/dbraw/zinc/76/69/41/433766941.db2.gz INHQCZPPNMIKGM-UHFFFAOYSA-N 0 0 309.329 3.002 10 5 DGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C[C@@H](C)O1 ZINC000301894780 433784305 /nfs/dbraw/zinc/78/43/05/433784305.db2.gz TVBBIYRAKQHODL-VXGBXAGGSA-N 0 0 308.378 3.386 10 5 DGBERN CCC1(CC)[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C[C@H]1OC ZINC000301983188 433808988 /nfs/dbraw/zinc/80/89/88/433808988.db2.gz ASDODXTZPNMLRH-HUUCEWRRSA-N 0 0 308.378 3.093 10 5 DGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@](O)(C(F)(F)F)C1 ZINC000302828270 433878331 /nfs/dbraw/zinc/87/83/31/433878331.db2.gz OCKUDFGQWJVYJA-LLVKDONJSA-N 0 0 324.686 3.060 10 5 DGBERN CC(C)CCCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000357216918 433913054 /nfs/dbraw/zinc/91/30/54/433913054.db2.gz DPAUHGKZNBEEMI-UHFFFAOYSA-N 0 0 321.421 3.275 10 5 DGBERN CC1(C2(Nc3ncc([N+](=O)[O-])cc3Br)CC2)CC1 ZINC000398213750 293852708 /nfs/dbraw/zinc/85/27/08/293852708.db2.gz JJUCFYXXQAOUAL-UHFFFAOYSA-N 0 0 312.167 3.497 10 5 DGBERN C[C@H](c1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1)C1CC1 ZINC000357594662 434091432 /nfs/dbraw/zinc/09/14/32/434091432.db2.gz LOBRHXBUYRRXLC-JTQLQIEISA-N 0 0 312.329 3.494 10 5 DGBERN O=[N+]([O-])c1ccc(N(Cc2ccccc2)C[C@H]2CCCO2)cn1 ZINC000450384431 434145877 /nfs/dbraw/zinc/14/58/77/434145877.db2.gz AYJOCDRIRXXNGN-MRXNPFEDSA-N 0 0 313.357 3.175 10 5 DGBERN CCOc1ccc(C(=O)NC[C@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000358032092 434297174 /nfs/dbraw/zinc/29/71/74/434297174.db2.gz GVLAQGXCKHVBPM-RYUDHWBXSA-N 0 0 306.362 3.160 10 5 DGBERN C[C@@]12CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@H]1C2(F)F ZINC000520934313 294850127 /nfs/dbraw/zinc/85/01/27/294850127.db2.gz PWWFEPOHRHIAQJ-WCQYABFASA-N 0 0 311.288 3.104 10 5 DGBERN COc1cc(F)cc(C[C@H](C)Nc2ccc([N+](=O)[O-])nc2)c1 ZINC000450949222 434499380 /nfs/dbraw/zinc/49/93/80/434499380.db2.gz JHXPKGBGZKAQRL-JTQLQIEISA-N 0 0 305.309 3.181 10 5 DGBERN CCOc1ccc(C(=O)N[C@@H]2C[C@@]2(C)C(C)C)cc1[N+](=O)[O-] ZINC000458145539 434501059 /nfs/dbraw/zinc/50/10/59/434501059.db2.gz NCUPQLKIXSHWLP-ZBFHGGJFSA-N 0 0 306.362 3.158 10 5 DGBERN O=[N+]([O-])c1ccc(NCC[C@@H]2COc3ccccc3O2)cc1 ZINC000360784300 434693620 /nfs/dbraw/zinc/69/36/20/434693620.db2.gz ZJWVDDSZHUYLMY-CQSZACIVSA-N 0 0 300.314 3.237 10 5 DGBERN Cc1cnc(COc2ccc(Br)cc2[N+](=O)[O-])nc1 ZINC000361085720 434792744 /nfs/dbraw/zinc/79/27/44/434792744.db2.gz GDSYNXXSZHELLV-UHFFFAOYSA-N 0 0 324.134 3.035 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1(CCO)CCCCC1 ZINC000446489842 434862367 /nfs/dbraw/zinc/86/23/67/434862367.db2.gz FBANBSFOUOOHNM-UHFFFAOYSA-N 0 0 321.377 3.110 10 5 DGBERN C/C(=C/c1nc([C@H]2CCCOC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445528267 434809385 /nfs/dbraw/zinc/80/93/85/434809385.db2.gz KXRXWZNUFPNEFF-FUWURINLSA-N 0 0 315.329 3.432 10 5 DGBERN Cc1c(-c2noc(CCOCC(C)C)n2)cccc1[N+](=O)[O-] ZINC000453259177 434843179 /nfs/dbraw/zinc/84/31/79/434843179.db2.gz PRJMWXKXZHWLCS-UHFFFAOYSA-N 0 0 305.334 3.168 10 5 DGBERN O=[N+]([O-])c1ccc(Nc2cccc(OC[C@H]3CCCO3)c2)cn1 ZINC000554756212 434946192 /nfs/dbraw/zinc/94/61/92/434946192.db2.gz OMVZAFHKSFPWCH-OAHLLOKOSA-N 0 0 315.329 3.291 10 5 DGBERN COC(=O)c1cc(C)nc(N[C@@H]2CC23CCCCC3)c1[N+](=O)[O-] ZINC000557646690 435062762 /nfs/dbraw/zinc/06/27/62/435062762.db2.gz NWEXGQQYMGFDHQ-GFCCVEGCSA-N 0 0 319.361 3.220 10 5 DGBERN CCOC(=O)c1cc(Br)c([N+](=O)[O-])cc1CC ZINC000575700535 435048023 /nfs/dbraw/zinc/04/80/23/435048023.db2.gz SKZXHRDITYXAIR-UHFFFAOYSA-N 0 0 302.124 3.096 10 5 DGBERN Cc1ccnc(-c2cccc(Nc3ccc([N+](=O)[O-])nc3)c2)n1 ZINC000578916105 435118792 /nfs/dbraw/zinc/11/87/92/435118792.db2.gz YBPVXDRDGVMWRE-UHFFFAOYSA-N 0 0 307.313 3.499 10 5 DGBERN O=[N+]([O-])c1ccc(NCC2CCN(c3ccccc3)CC2)cn1 ZINC000480514410 435382256 /nfs/dbraw/zinc/38/22/56/435382256.db2.gz UHKQWLCPTSUANX-UHFFFAOYSA-N 0 0 312.373 3.318 10 5 DGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000480562974 435384079 /nfs/dbraw/zinc/38/40/79/435384079.db2.gz KOMPILOPGCNFIN-SCZZXKLOSA-N 0 0 315.295 3.340 10 5 DGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@H]1C ZINC000537134193 435425317 /nfs/dbraw/zinc/42/53/17/435425317.db2.gz VVBZXRCSJKCNAS-GHMZBOCLSA-N 0 0 308.403 3.481 10 5 DGBERN Cc1ccc(Nc2ccc3ccc(=O)n(C)c3c2)c([N+](=O)[O-])c1 ZINC000486018671 435585342 /nfs/dbraw/zinc/58/53/42/435585342.db2.gz NDFSCYPBVVLUHU-UHFFFAOYSA-N 0 0 309.325 3.499 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)n1 ZINC000408170089 301203553 /nfs/dbraw/zinc/20/35/53/301203553.db2.gz CAXXIUSGVADDTM-RBSFLKMASA-N 0 0 319.405 3.127 10 5 DGBERN Cn1cc([C@H]2CCCN2c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000108946176 302936228 /nfs/dbraw/zinc/93/62/28/302936228.db2.gz WRFGLXIBUBULFK-GFCCVEGCSA-N 0 0 306.753 3.323 10 5 DGBERN CC(=O)c1ccc2c(c1)CCN(c1ccccc1[N+](=O)[O-])CC2 ZINC000534418614 313668677 /nfs/dbraw/zinc/66/86/77/313668677.db2.gz XNCFLJGHYHXAIE-UHFFFAOYSA-N 0 0 310.353 3.403 10 5 DGBERN O=[N+]([O-])c1cccc2c1CCN(Cc1nc(C3CC3)cs1)C2 ZINC000543196627 314119850 /nfs/dbraw/zinc/11/98/50/314119850.db2.gz DVEWLHQTKKIYHA-UHFFFAOYSA-N 0 0 315.398 3.487 10 5 DGBERN COC(=O)c1cc(C)nc(Oc2cc(C)ccc2C)c1[N+](=O)[O-] ZINC000557467020 314805836 /nfs/dbraw/zinc/80/58/36/314805836.db2.gz CFQOVGCEHXEKJH-UHFFFAOYSA-N 0 0 316.313 3.494 10 5 DGBERN CCN(c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])C1CCCCC1 ZINC000559590595 314888017 /nfs/dbraw/zinc/88/80/17/314888017.db2.gz RUWFNODSVMXEGF-UHFFFAOYSA-N 0 0 321.377 3.244 10 5 DGBERN Cc1ccnc(-c2ccc(Nc3ccc([N+](=O)[O-])nc3)cc2)n1 ZINC000561803587 314983300 /nfs/dbraw/zinc/98/33/00/314983300.db2.gz CLNWTPZLBCDMHF-UHFFFAOYSA-N 0 0 307.313 3.499 10 5 DGBERN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCCOCC1CCC1 ZINC000562474164 315023013 /nfs/dbraw/zinc/02/30/13/315023013.db2.gz YYAVZMPTUNTNHW-UHFFFAOYSA-N 0 0 319.283 3.237 10 5 DGBERN CC(C)[C@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000563670016 315130838 /nfs/dbraw/zinc/13/08/38/315130838.db2.gz WEGQBDJHMQQGRW-SKDRFNHKSA-N 0 0 318.295 3.401 10 5 DGBERN COC(=O)c1cc(C)nc(Oc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000563707089 315133320 /nfs/dbraw/zinc/13/33/20/315133320.db2.gz GYFCFJSNRLYXGQ-UHFFFAOYSA-N 0 0 306.249 3.016 10 5 DGBERN CCc1ccc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)cc1CC ZINC000180322793 323226665 /nfs/dbraw/zinc/22/66/65/323226665.db2.gz YSJIPWCBIWSHML-UHFFFAOYSA-N 0 0 316.361 3.014 10 5 DGBERN CCc1cnccc1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000182564077 323304468 /nfs/dbraw/zinc/30/44/68/323304468.db2.gz JFJZMMGDTZUZRZ-LBPRGKRZSA-N 0 0 313.357 3.352 10 5 DGBERN CCc1cnccc1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000182565705 323305286 /nfs/dbraw/zinc/30/52/86/323305286.db2.gz KYRGJWRWRXPEJU-UHFFFAOYSA-N 0 0 322.324 3.353 10 5 DGBERN CCc1cnccc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000182637695 323306650 /nfs/dbraw/zinc/30/66/50/323306650.db2.gz UEKPBUYDKNXLQJ-NSHDSACASA-N 0 0 311.341 3.144 10 5 DGBERN O=[N+]([O-])c1ccc2c(c1)N(Cc1nc3cc(F)ccc3o1)CC2 ZINC000182776161 323311745 /nfs/dbraw/zinc/31/17/45/323311745.db2.gz BSZKZQYQFIERBZ-UHFFFAOYSA-N 0 0 313.288 3.438 10 5 DGBERN COC(=O)c1cc(C)nc(Oc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000583710395 324388421 /nfs/dbraw/zinc/38/84/21/324388421.db2.gz XDWAGRJOMXUXKT-UHFFFAOYSA-N 0 0 324.239 3.155 10 5 DGBERN O=CN[C@H](Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000584604060 337371340 /nfs/dbraw/zinc/37/13/40/337371340.db2.gz JEHGATVAJLHSPK-CQSZACIVSA-N 0 0 304.733 3.278 10 5 DGBERN Cc1cc(NC(=O)[C@H]2C[C@@H]2C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000161821350 533991475 /nfs/dbraw/zinc/99/14/75/533991475.db2.gz PNZNPJITLGJCBW-OLZOCXBDSA-N 0 0 311.341 3.436 10 5 DGBERN COC(=O)c1ccc(F)c(CNc2ccc([N+](=O)[O-])cc2F)c1 ZINC000302197858 534169025 /nfs/dbraw/zinc/16/90/25/534169025.db2.gz TXOUCTGZXVNEKZ-UHFFFAOYSA-N 0 0 322.267 3.272 10 5 DGBERN C[C@@H](C[C@H](O)c1ccccc1)Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302075556 534205499 /nfs/dbraw/zinc/20/54/99/534205499.db2.gz XUMRPGYFMNMYTB-SJCJKPOMSA-N 0 0 316.357 3.011 10 5 DGBERN CCc1sc([C@@H](C)Nc2ncc([N+](=O)[O-])c(N)n2)cc1C ZINC000157771624 523079522 /nfs/dbraw/zinc/07/95/22/523079522.db2.gz WWZSTLRMPJNNQX-MRVPVSSYSA-N 0 0 307.379 3.072 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1COc2ccccc21 ZINC000162991671 525571404 /nfs/dbraw/zinc/57/14/04/525571404.db2.gz CLPGOKMRLUQEOT-AWEZNQCLSA-N 0 0 313.313 3.158 10 5 DGBERN O=[N+]([O-])c1ccc(CO)cc1NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000302056308 534881823 /nfs/dbraw/zinc/88/18/23/534881823.db2.gz QPGIPNLGTZWEOM-DAYGRLMNSA-N 0 0 310.353 3.085 10 5 DGBERN O=C(NCc1ccc(F)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000161581238 526673742 /nfs/dbraw/zinc/67/37/42/526673742.db2.gz OYFNMZLKDOZIIL-UHFFFAOYSA-N 0 0 313.288 3.145 10 5 DGBERN O=[N+]([O-])c1ccc(NCCC[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000154466291 527363521 /nfs/dbraw/zinc/36/35/21/527363521.db2.gz PYTMONSYPLUIDZ-IAQYHMDHSA-N 0 0 323.349 3.246 10 5 DGBERN O=[N+]([O-])c1cnc(NCCC[C@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC000154461616 527409850 /nfs/dbraw/zinc/40/98/50/527409850.db2.gz BRHFXUAOALMFOB-MFKMUULPSA-N 0 0 313.785 3.386 10 5 DGBERN CC(C)(C)C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000172299029 527635990 /nfs/dbraw/zinc/63/59/90/527635990.db2.gz UXYDWKBZRRIZSI-UHFFFAOYSA-N 0 0 323.368 3.214 10 5 DGBERN CCO[C@@H]1C[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C12CCCC2 ZINC000302067849 527953615 /nfs/dbraw/zinc/95/36/15/527953615.db2.gz USLQQZNJDUFJAC-JKSUJKDBSA-N 0 0 320.389 3.237 10 5 DGBERN CCCN(C[C@@H]1CCCCO1)c1nc2sccn2c1[N+](=O)[O-] ZINC000301305185 528123782 /nfs/dbraw/zinc/12/37/82/528123782.db2.gz ZQBMXNJGLDLUBS-NSHDSACASA-N 0 0 324.406 3.090 10 5 DGBERN CCOc1ccc(CNc2cc(CO)ccc2[N+](=O)[O-])cc1C ZINC000302039860 528466177 /nfs/dbraw/zinc/46/61/77/528466177.db2.gz NFHRUVGLVJVDKS-UHFFFAOYSA-N 0 0 316.357 3.406 10 5 DGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCOC[C@@H]1C ZINC000194132556 528941774 /nfs/dbraw/zinc/94/17/74/528941774.db2.gz TZMOEMDPDUNCFX-XJKSGUPXSA-N 0 0 320.389 3.004 10 5 DGBERN CC[C@@H](Nc1ccc(C(C)=O)cc1[N+](=O)[O-])c1noc(C)n1 ZINC000301486806 529209653 /nfs/dbraw/zinc/20/96/53/529209653.db2.gz YBJFHIRIXUGENS-LLVKDONJSA-N 0 0 304.306 3.052 10 5 DGBERN Nc1c(C(=O)NCc2ccc(C(F)F)cc2)cccc1[N+](=O)[O-] ZINC000185403744 546187271 /nfs/dbraw/zinc/18/72/71/546187271.db2.gz VCYGCBVTASFFTB-UHFFFAOYSA-N 0 0 321.283 3.045 10 5 DGBERN CC(C)c1cnc(COC(=O)c2cc(F)ccc2[N+](=O)[O-])o1 ZINC000733469433 574625035 /nfs/dbraw/zinc/62/50/35/574625035.db2.gz CFRXKZRXNIVMMW-UHFFFAOYSA-N 0 0 308.265 3.202 10 5 DGBERN COC[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1 ZINC000742411318 574997726 /nfs/dbraw/zinc/99/77/26/574997726.db2.gz OTFBTXHANAUNEI-CYBMUJFWSA-N 0 0 312.329 3.042 10 5 DGBERN CO[C@H](C(=O)OCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000151181741 620427969 /nfs/dbraw/zinc/42/79/69/620427969.db2.gz CBMOFFJSGPENBL-INIZCTEOSA-N 0 0 315.325 3.068 10 5 DGBERN COCc1cccc(C(=O)OCCc2ccccc2[N+](=O)[O-])c1 ZINC000151248800 620433117 /nfs/dbraw/zinc/43/31/17/620433117.db2.gz FCCOHSPMLGCZSV-UHFFFAOYSA-N 0 0 315.325 3.141 10 5 DGBERN C[C@H]1CC[C@H](CCC(=O)OCCc2ccccc2[N+](=O)[O-])O1 ZINC000151269248 620434954 /nfs/dbraw/zinc/43/49/54/620434954.db2.gz FWVBDLJZMUPHOH-GXTWGEPZSA-N 0 0 307.346 3.028 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(NCc2cccnc2-n2ccnc2)c1 ZINC000151915877 620480823 /nfs/dbraw/zinc/48/08/23/620480823.db2.gz URZPNMSERMLKAW-UHFFFAOYSA-N 0 0 309.329 3.096 10 5 DGBERN CCc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1F ZINC000152395263 620504216 /nfs/dbraw/zinc/50/42/16/620504216.db2.gz AJCOFRNYVMDLIB-UHFFFAOYSA-N 0 0 303.293 3.131 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1CC1(Cl)Cl ZINC000103377728 621356317 /nfs/dbraw/zinc/35/63/17/621356317.db2.gz PXOYUGFMUYWCRO-GMSGAONNSA-N 0 0 315.156 3.066 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(Cl)nc1 ZINC000103377439 621356344 /nfs/dbraw/zinc/35/63/44/621356344.db2.gz BJGGZNXUALXEJV-SECBINFHSA-N 0 0 317.732 3.235 10 5 DGBERN O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(F)ccc2o1 ZINC000120130740 621790132 /nfs/dbraw/zinc/79/01/32/621790132.db2.gz 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ZINC000701996848 660696448 /nfs/dbraw/zinc/69/64/48/660696448.db2.gz XVXVWICFPIWNCC-SSDOTTSWSA-N 0 0 304.680 3.023 10 5 DGBERN O=C(NCC[C@H]1CC1(F)F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000701990142 660696590 /nfs/dbraw/zinc/69/65/90/660696590.db2.gz AIJQGBMGLVUPQB-QMMMGPOBSA-N 0 0 304.680 3.023 10 5 DGBERN O=C(NCCC1(F)CCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000705328588 660837313 /nfs/dbraw/zinc/83/73/13/660837313.db2.gz ZOMLBBBQGCHGHP-UHFFFAOYSA-N 0 0 300.717 3.260 10 5 DGBERN CC(C)(C)[S@](C)(=O)=NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000710157017 660932815 /nfs/dbraw/zinc/93/28/15/660932815.db2.gz XRICKGNUXJXHII-FQEVSTJZSA-N 0 0 318.782 3.285 10 5 DGBERN CC(C)(C)OC(=O)NC1CC(CNc2ccccc2[N+](=O)[O-])C1 ZINC000711459886 660954045 /nfs/dbraw/zinc/95/40/45/660954045.db2.gz SMVJRUKODAFASA-UHFFFAOYSA-N 0 0 321.377 3.310 10 5 DGBERN Cc1nc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc(C2CC2)n1 ZINC000255443351 655753097 /nfs/dbraw/zinc/75/30/97/655753097.db2.gz YYLGZYRKPYKQCQ-WTKPLQERSA-N 0 0 324.340 3.223 10 5 DGBERN COc1ccnc(C(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000176944036 655880262 /nfs/dbraw/zinc/88/02/62/655880262.db2.gz JJXVOUYOJZBSQM-NSHDSACASA-N 0 0 316.313 3.225 10 5 DGBERN O=C(NCC[C@H]1CCCS1)c1ccc([N+](=O)[O-])cc1Cl ZINC000715972557 661216253 /nfs/dbraw/zinc/21/62/53/661216253.db2.gz IDEXNCTZHYHRBK-SNVBAGLBSA-N 0 0 314.794 3.264 10 5 DGBERN O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)Nc2cc(Cl)ccc21 ZINC000123166914 656173120 /nfs/dbraw/zinc/17/31/20/656173120.db2.gz RQTCBHCWUANATB-CYBMUJFWSA-N 0 0 303.705 3.102 10 5 DGBERN C[C@@H](Cc1ccccc1)OC(=O)COc1ccccc1[N+](=O)[O-] ZINC000160042862 657360596 /nfs/dbraw/zinc/36/05/96/657360596.db2.gz FREKSKXTZMHFIH-ZDUSSCGKSA-N 0 0 315.325 3.148 10 5 DGBERN Cc1c(Cn2c3ccccc3nc2[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000192834948 658750122 /nfs/dbraw/zinc/75/01/22/658750122.db2.gz SDZGDCUMAYOHMW-GFCCVEGCSA-N 0 0 311.341 3.355 10 5 DGBERN Cc1sc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000031009039 658751025 /nfs/dbraw/zinc/75/10/25/658751025.db2.gz GJFXDNFRMBKMJF-UHFFFAOYSA-N 0 0 322.298 3.230 10 5 DGBERN Cc1cc(C)c(OC(=O)[C@@H](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000165118104 658967679 /nfs/dbraw/zinc/96/76/79/658967679.db2.gz XURTUVOLNFEBEU-LBPRGKRZSA-N 0 0 307.346 3.180 10 5 DGBERN O=C(OCCc1ccccc1[N+](=O)[O-])c1scnc1C1CC1 ZINC000089983667 659492774 /nfs/dbraw/zinc/49/27/74/659492774.db2.gz MNKWFDVCMNHBPL-UHFFFAOYSA-N 0 0 318.354 3.328 10 5 DGBERN COc1ccccc1[C@H](O)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000042109623 661837975 /nfs/dbraw/zinc/83/79/75/661837975.db2.gz BHAXFBFVSUPQKJ-CQSZACIVSA-N 0 0 322.748 3.402 10 5 DGBERN COc1ccccc1CN(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000047540515 661878172 /nfs/dbraw/zinc/87/81/72/661878172.db2.gz OUPUBCFUZLFLRN-UHFFFAOYSA-N 0 0 304.321 3.375 10 5 DGBERN CC(C)c1nnc(CNc2ccc(Cl)c([N+](=O)[O-])c2)n1C ZINC000194984089 662176693 /nfs/dbraw/zinc/17/66/93/662176693.db2.gz CERVZEGJEKJNJM-UHFFFAOYSA-N 0 0 309.757 3.112 10 5 DGBERN CC(C)(C)C1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000195134427 662178859 /nfs/dbraw/zinc/17/88/59/662178859.db2.gz DBAZRGKSFYPAJN-UHFFFAOYSA-N 0 0 305.378 3.075 10 5 DGBERN C[C@H](C1CC1)n1nccc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000195227805 662180707 /nfs/dbraw/zinc/18/07/07/662180707.db2.gz CQEICEXWSIXIHM-SECBINFHSA-N 0 0 318.308 3.154 10 5 DGBERN C[C@@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CCC1 ZINC000083149188 662194152 /nfs/dbraw/zinc/19/41/52/662194152.db2.gz DYPBPEDVVVHSJJ-LLVKDONJSA-N 0 0 315.329 3.126 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1scnc1C1CC1 ZINC000089738258 662247354 /nfs/dbraw/zinc/24/73/54/662247354.db2.gz FTZMHUQKECTCSW-UHFFFAOYSA-N 0 0 320.326 3.157 10 5 DGBERN CCOc1ccc(C(=O)O[C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000174904927 685107177 /nfs/dbraw/zinc/10/71/77/685107177.db2.gz NIXWMGBXINGTPB-SSDOTTSWSA-N 0 0 307.224 3.101 10 5 DGBERN O=C(COc1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1F ZINC000177331871 685108298 /nfs/dbraw/zinc/10/82/98/685108298.db2.gz WCWIPAMAABBKHM-UHFFFAOYSA-N 0 0 324.695 3.405 10 5 DGBERN Cn1cc(CCNC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000586738607 1177075325 /nfs/dbraw/zinc/07/53/25/1177075325.db2.gz WPQRIPLQAGZQCG-UHFFFAOYSA-N 0 0 323.352 3.059 10 5 DGBERN Cc1occc1CN(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000048913304 1194499207 /nfs/dbraw/zinc/49/92/07/1194499207.db2.gz YVXULQUCVCRTHO-UHFFFAOYSA-N 0 0 308.721 3.422 10 5 DGBERN Nc1c(Cl)cc(C(=O)N2CCCCCCC2)cc1[N+](=O)[O-] ZINC000050696159 1194611088 /nfs/dbraw/zinc/61/10/88/1194611088.db2.gz VDELOOPYOPNBEA-UHFFFAOYSA-N 0 0 311.769 3.237 10 5 DGBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)c1cnccn1 ZINC000070478972 1195874112 /nfs/dbraw/zinc/87/41/12/1195874112.db2.gz PUDIBZUKFKZQMF-QMMMGPOBSA-N 0 0 323.150 3.320 10 5 DGBERN C[C@H](Cc1ccsc1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000081402859 1197215423 /nfs/dbraw/zinc/21/54/23/1197215423.db2.gz AXFQDPJKIBXYGN-SECBINFHSA-N 0 0 310.400 3.421 10 5 DGBERN O=[N+]([O-])c1cc(Br)ccc1Oc1cc(F)ncn1 ZINC000136879624 1199715368 /nfs/dbraw/zinc/71/53/68/1199715368.db2.gz WMDMUARBRHBRMS-UHFFFAOYSA-N 0 0 314.070 3.079 10 5 DGBERN Cc1cnc(SCc2cc([N+](=O)[O-])ccc2Cl)[nH]c1=O ZINC000312621393 1199752912 /nfs/dbraw/zinc/75/29/12/1199752912.db2.gz VDYDLATVELSQLX-UHFFFAOYSA-N 0 0 311.750 3.345 10 5 DGBERN O=[N+]([O-])c1ccc(NCCc2cccc(Br)c2)nc1 ZINC000313695195 1199772932 /nfs/dbraw/zinc/77/29/32/1199772932.db2.gz CZPBWWUOCIOYCV-UHFFFAOYSA-N 0 0 322.162 3.407 10 5 DGBERN CC(C)CCCCNC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000228626773 1201119264 /nfs/dbraw/zinc/11/92/64/1201119264.db2.gz HXYGBESYKKWWNJ-UHFFFAOYSA-N 0 0 300.305 3.429 10 5 DGBERN CCCCOCCNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000195190255 1201496357 /nfs/dbraw/zinc/49/63/57/1201496357.db2.gz OTFLLBFOOQCIFX-SOFGYWHQSA-N 0 0 322.361 3.010 10 5 DGBERN O=[N+]([O-])c1cc(Br)ccc1CNCc1ccco1 ZINC000162120623 1203178761 /nfs/dbraw/zinc/17/87/61/1203178761.db2.gz FFVKPKRRCBNCRL-UHFFFAOYSA-N 0 0 311.135 3.240 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(F)cc1 ZINC000588435413 1082266969 /nfs/dbraw/zinc/26/69/69/1082266969.db2.gz GMTKSWOXGZPEGL-BENRWUELSA-N 0 0 314.316 3.454 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccsc1 ZINC000588436934 1082270335 /nfs/dbraw/zinc/27/03/35/1082270335.db2.gz TWBZUXDOBWXPQW-FLIBITNWSA-N 0 0 302.355 3.376 10 5 DGBERN CCCCN(CCOC)C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588438938 1082283879 /nfs/dbraw/zinc/28/38/79/1082283879.db2.gz UEWZAKJETXKJOG-YPKPFQOOSA-N 0 0 320.389 3.273 10 5 DGBERN CCCC[C@@H](COC)NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588439040 1082284220 /nfs/dbraw/zinc/28/42/20/1082284220.db2.gz XQAHPGCOAXVHGE-HVCHUGMYSA-N 0 0 320.389 3.320 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000588444544 1082289017 /nfs/dbraw/zinc/28/90/17/1082289017.db2.gz LTPLYCKUUZMRTE-SUIFULHWSA-N 0 0 318.373 3.024 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(O)c1 ZINC000588445642 1082292105 /nfs/dbraw/zinc/29/21/05/1082292105.db2.gz KNBBKVUGEVQLCU-XFXZXTDPSA-N 0 0 312.325 3.020 10 5 DGBERN CCOCCCCOC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588447983 1082318838 /nfs/dbraw/zinc/31/88/38/1082318838.db2.gz CVPKSKADFHNCNU-SEYXRHQNSA-N 0 0 307.346 3.358 10 5 DGBERN Cc1c(CS(=O)(=O)c2ccccc2F)cccc1[N+](=O)[O-] ZINC000084428453 1084863404 /nfs/dbraw/zinc/86/34/04/1084863404.db2.gz JEFXBONMZJTUHS-UHFFFAOYSA-N 0 0 309.318 3.016 10 5 DGBERN O=[N+]([O-])c1ccccc1NCCOC(F)(F)C(F)(F)F ZINC000720297800 1090905555 /nfs/dbraw/zinc/90/55/55/1090905555.db2.gz NSWRPRSHGMINLP-UHFFFAOYSA-N 0 0 300.183 3.178 10 5 DGBERN O=[N+]([O-])c1ccc(F)cc1CN1CCC=C(Br)C1 ZINC000404217919 1094242498 /nfs/dbraw/zinc/24/24/98/1094242498.db2.gz VEOPWGUACWKFKC-UHFFFAOYSA-N 0 0 315.142 3.218 10 5 DGBERN CC[C@@H](NC(=O)c1ccc(F)cn1)c1cccc([N+](=O)[O-])c1 ZINC000183015565 529669545 /nfs/dbraw/zinc/66/95/45/529669545.db2.gz CALTYZMVECWCAU-CYBMUJFWSA-N 0 0 303.293 3.010 10 5 DGBERN CCc1ncc(CN(C)c2ncc([N+](=O)[O-])cc2Cl)s1 ZINC000301297909 529752555 /nfs/dbraw/zinc/75/25/55/529752555.db2.gz YVSINHUCUUIZHE-UHFFFAOYSA-N 0 0 312.782 3.299 10 5 DGBERN CC[C@@H](NCc1nc(C2CC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000181541576 199314771 /nfs/dbraw/zinc/31/47/71/199314771.db2.gz NDUSUFBRECVVGV-CYBMUJFWSA-N 0 0 302.334 3.096 10 5 DGBERN CCCCO[C@H](C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103374735 432007890 /nfs/dbraw/zinc/00/78/90/432007890.db2.gz QGQAUKDKLPTMDJ-VXGBXAGGSA-N 0 0 306.362 3.078 10 5 DGBERN Cc1sc(C(=O)N2CCSC(C)(C)CC2)cc1[N+](=O)[O-] ZINC000279332244 214799472 /nfs/dbraw/zinc/79/94/72/214799472.db2.gz PNNUEJIGHWGAPU-UHFFFAOYSA-N 0 0 314.432 3.322 10 5 DGBERN Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000130453423 432025436 /nfs/dbraw/zinc/02/54/36/432025436.db2.gz CIAJMFXBDWOPPL-JTQLQIEISA-N 0 0 303.366 3.423 10 5 DGBERN COc1cc(N[C@@H]2CCN(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000301410428 186730721 /nfs/dbraw/zinc/73/07/21/186730721.db2.gz XVDIZDAKVZVICX-CQSZACIVSA-N 0 0 313.357 3.294 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000173015997 198178141 /nfs/dbraw/zinc/17/81/41/198178141.db2.gz BYIUQZODPWQSKL-GJZGRUSLSA-N 0 0 310.353 3.437 10 5 DGBERN CCc1cccc(CC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000179095355 432040510 /nfs/dbraw/zinc/04/05/10/432040510.db2.gz AEWGJROEQMEKFA-UHFFFAOYSA-N 0 0 312.369 3.358 10 5 DGBERN Cc1cccc(NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])c1 ZINC000005109300 181204603 /nfs/dbraw/zinc/20/46/03/181204603.db2.gz LCVGZWVSDYQTFA-LBPRGKRZSA-N 0 0 300.314 3.309 10 5 DGBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1[N+](=O)[O-] ZINC000005514952 181252421 /nfs/dbraw/zinc/25/24/21/181252421.db2.gz XCMFVFGNWSHNMH-CMDGGOBGSA-N 0 0 313.269 3.155 10 5 DGBERN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1[N+](=O)[O-] ZINC000005547434 181255562 /nfs/dbraw/zinc/25/55/62/181255562.db2.gz VRBVKKAMYXXJMI-UHFFFAOYSA-N 0 0 315.285 3.372 10 5 DGBERN Cc1cc(C(=O)Nc2cccc(-c3ncon3)c2)cc([N+](=O)[O-])c1 ZINC000170632068 432074638 /nfs/dbraw/zinc/07/46/38/432074638.db2.gz UHHNEZHVUPXTGW-UHFFFAOYSA-N 0 0 324.296 3.206 10 5 DGBERN COc1cc(NCc2ccc([C@H](C)O)cc2)c([N+](=O)[O-])cc1F ZINC000180428240 199157866 /nfs/dbraw/zinc/15/78/66/199157866.db2.gz NTKFQLOVFUVCSP-JTQLQIEISA-N 0 0 320.320 3.408 10 5 DGBERN CC[C@H](NC(=O)NCC1(SC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000195013674 201326776 /nfs/dbraw/zinc/32/67/76/201326776.db2.gz ZJCLOORDHVZFQT-ZDUSSCGKSA-N 0 0 323.418 3.241 10 5 DGBERN Cc1nc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)sc1C ZINC000195136443 201345960 /nfs/dbraw/zinc/34/59/60/201345960.db2.gz ZKWHFKRWMQVCIS-UHFFFAOYSA-N 0 0 316.342 3.402 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000195324795 201380040 /nfs/dbraw/zinc/38/00/40/201380040.db2.gz SHBRAOWEHPZHNT-NSHDSACASA-N 0 0 324.340 3.271 10 5 DGBERN COc1cc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000450064776 240548236 /nfs/dbraw/zinc/54/82/36/240548236.db2.gz FGJIKUCESFQBLA-GHMZBOCLSA-N 0 0 322.336 3.005 10 5 DGBERN CC(C)COCCNc1ccc([N+](=O)[O-])cc1Br ZINC000135239830 432107009 /nfs/dbraw/zinc/10/70/09/432107009.db2.gz IUNFVNIGORVZPJ-UHFFFAOYSA-N 0 0 317.183 3.442 10 5 DGBERN Cc1n[nH]c2cc(NC(=O)CCc3cccc([N+](=O)[O-])c3)ccc12 ZINC000091826921 193112948 /nfs/dbraw/zinc/11/29/48/193112948.db2.gz MOPSGAVPFAQGBD-UHFFFAOYSA-N 0 0 324.340 3.351 10 5 DGBERN Cc1n[nH]c2cc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)ccc12 ZINC000091835889 193115194 /nfs/dbraw/zinc/11/51/94/193115194.db2.gz CNSAGRFKOXBBAM-UHFFFAOYSA-N 0 0 310.313 3.340 10 5 DGBERN Cc1c(NC(=O)c2ncccc2OC(C)C)cccc1[N+](=O)[O-] ZINC000079387042 283878669 /nfs/dbraw/zinc/87/86/69/283878669.db2.gz MQNLKHQUISCYPR-UHFFFAOYSA-N 0 0 315.329 3.338 10 5 DGBERN CCOC(=O)CC[C@@H](C)Nc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000089656738 283955186 /nfs/dbraw/zinc/95/51/86/283955186.db2.gz XXWCVWADRAWTFE-LLVKDONJSA-N 0 0 310.350 3.137 10 5 DGBERN Cc1cc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000110454545 284073155 /nfs/dbraw/zinc/07/31/55/284073155.db2.gz IMIITCKVWPVZKG-HOTGVXAUSA-N 0 0 310.353 3.437 10 5 DGBERN Cc1ccc2c(c1)[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@H](C)C2 ZINC000181243516 432119820 /nfs/dbraw/zinc/11/98/20/432119820.db2.gz KZMKVLWHMRXHGD-BFUOFWGJSA-N 0 0 324.380 3.495 10 5 DGBERN CCOc1cc(NC[C@@H](CO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000487671675 245090605 /nfs/dbraw/zinc/09/06/05/245090605.db2.gz FJYRPGGYICZEKG-AWEZNQCLSA-N 0 0 316.357 3.182 10 5 DGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(F)cc1F ZINC000008269380 181542165 /nfs/dbraw/zinc/54/21/65/181542165.db2.gz UBNIXEMUBVLJMC-UHFFFAOYSA-N 0 0 308.240 3.134 10 5 DGBERN C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC000126980685 284323185 /nfs/dbraw/zinc/32/31/85/284323185.db2.gz HTLOUZXRWQHCPB-STQMWFEESA-N 0 0 316.357 3.464 10 5 DGBERN COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000015818287 182019241 /nfs/dbraw/zinc/01/92/41/182019241.db2.gz FKEWXZYEGXUWNN-GFCCVEGCSA-N 0 0 314.341 3.403 10 5 DGBERN O=C(Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 ZINC000016789818 284372815 /nfs/dbraw/zinc/37/28/15/284372815.db2.gz YHBWAMDKYAAJDK-UHFFFAOYSA-N 0 0 314.297 3.008 10 5 DGBERN CCN1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000021125616 182265845 /nfs/dbraw/zinc/26/58/45/182265845.db2.gz SSTYXAJFOGKFKH-UHFFFAOYSA-N 0 0 312.281 3.003 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]2Cn2ccnc2)c2ccncc21 ZINC000267431383 206061756 /nfs/dbraw/zinc/06/17/56/206061756.db2.gz WTVSZMXMOGMCTF-ZDUSSCGKSA-N 0 0 323.356 3.009 10 5 DGBERN COC(=O)c1cncc(NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000181715663 432143501 /nfs/dbraw/zinc/14/35/01/432143501.db2.gz BSYYKRHYOONUNS-UHFFFAOYSA-N 0 0 321.720 3.042 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cccc(F)c1F ZINC000152683315 284634675 /nfs/dbraw/zinc/63/46/75/284634675.db2.gz DTPFLGLIPOSJKV-VIFPVBQESA-N 0 0 321.283 3.067 10 5 DGBERN COc1ccc(-c2ccc(C(=O)NCC(C)C)o2)c([N+](=O)[O-])c1 ZINC000040374399 183057139 /nfs/dbraw/zinc/05/71/39/183057139.db2.gz GMXPYRCTVHBZRQ-UHFFFAOYSA-N 0 0 318.329 3.249 10 5 DGBERN CC(=O)N[C@@H](CC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000040423333 183065389 /nfs/dbraw/zinc/06/53/89/183065389.db2.gz NUXWCPXBWJKFHV-INIZCTEOSA-N 0 0 312.325 3.045 10 5 DGBERN CC(=O)c1ccc(Nc2ncnc(OC(C)C)c2[N+](=O)[O-])cc1 ZINC000040649715 183114365 /nfs/dbraw/zinc/11/43/65/183114365.db2.gz YFTCSKFQNOBTOF-UHFFFAOYSA-N 0 0 316.317 3.118 10 5 DGBERN CCOc1ncnc(NCc2ccccc2Cl)c1[N+](=O)[O-] ZINC000040659623 183114860 /nfs/dbraw/zinc/11/48/60/183114860.db2.gz NHYQRGMZUXWFCG-UHFFFAOYSA-N 0 0 308.725 3.049 10 5 DGBERN CCCNc1ncnc(Nc2cc(C)ccc2OC)c1[N+](=O)[O-] ZINC000040583873 183105371 /nfs/dbraw/zinc/10/53/71/183105371.db2.gz CWSRBSOVYRKZKM-UHFFFAOYSA-N 0 0 317.349 3.267 10 5 DGBERN CCCNc1ncnc(Nc2ccc(OCC)cc2)c1[N+](=O)[O-] ZINC000040596959 183107412 /nfs/dbraw/zinc/10/74/12/183107412.db2.gz KDUFBNOAKNKZCT-UHFFFAOYSA-N 0 0 317.349 3.349 10 5 DGBERN CC(C)C[C@@H](CO)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000040779463 183132998 /nfs/dbraw/zinc/13/29/98/183132998.db2.gz JFKVSHBZZDMZPJ-JTQLQIEISA-N 0 0 306.284 3.433 10 5 DGBERN CC(C)C[C@@H](CO)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000040779408 183133204 /nfs/dbraw/zinc/13/32/04/183133204.db2.gz FPYLPTOWYGOCFZ-JTQLQIEISA-N 0 0 317.183 3.176 10 5 DGBERN O=[N+]([O-])c1cc(Br)ccc1Sc1nncs1 ZINC000042389490 183263762 /nfs/dbraw/zinc/26/37/62/183263762.db2.gz AOBIIUJSNXZPTR-UHFFFAOYSA-N 0 0 318.177 3.360 10 5 DGBERN CC(C)N(CC(=O)OC(C)(C)C)Cc1csc([N+](=O)[O-])c1 ZINC000153939897 284702745 /nfs/dbraw/zinc/70/27/45/284702745.db2.gz KWIOBRSRIYBXID-UHFFFAOYSA-N 0 0 314.407 3.208 10 5 DGBERN Cc1cnc(N2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)c([N+](=O)[O-])c1 ZINC000284704079 218141680 /nfs/dbraw/zinc/14/16/80/218141680.db2.gz SVNYUPJRYVCOKO-VBQJREDUSA-N 0 0 319.405 3.208 10 5 DGBERN C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1cccc(F)c1 ZINC000105713185 194120872 /nfs/dbraw/zinc/12/08/72/194120872.db2.gz HXDCDCZQPAACFH-LLVKDONJSA-N 0 0 323.345 3.410 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@H](CO)CC(C)C ZINC000185689530 284758339 /nfs/dbraw/zinc/75/83/39/284758339.db2.gz YENPUNPVPTUIPA-ZDUSSCGKSA-N 0 0 323.393 3.082 10 5 DGBERN CCCN(C[C@H]1CCCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000106505141 194220709 /nfs/dbraw/zinc/22/07/09/194220709.db2.gz NCRKVGDNWKLIFQ-OAHLLOKOSA-N 0 0 321.377 3.408 10 5 DGBERN CCCc1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000109913663 194297053 /nfs/dbraw/zinc/29/70/53/194297053.db2.gz CWGJILVKLHSWIQ-UHFFFAOYSA-N 0 0 308.725 3.176 10 5 DGBERN C[C@@H]1C[C@@H](C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000245716842 284839346 /nfs/dbraw/zinc/83/93/46/284839346.db2.gz CXFIYYWTRLPRQB-DABQJJPHSA-N 0 0 318.373 3.078 10 5 DGBERN O=C(N[C@@H]1COc2ccccc21)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110258630 194317753 /nfs/dbraw/zinc/31/77/53/194317753.db2.gz OHUBVNLSDBRYML-LLVKDONJSA-N 0 0 318.716 3.112 10 5 DGBERN Cc1c(C(=O)N2CCC(OCC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000055910023 184000508 /nfs/dbraw/zinc/00/05/08/184000508.db2.gz WBZOHLIGFWHOND-UHFFFAOYSA-N 0 0 320.389 3.180 10 5 DGBERN O=[N+]([O-])c1ccccc1C[C@@H](O)c1ccc(Br)o1 ZINC000062138712 184208464 /nfs/dbraw/zinc/20/84/64/184208464.db2.gz FGPIEYCIXUDBOU-SNVBAGLBSA-N 0 0 312.119 3.226 10 5 DGBERN O=[N+]([O-])c1ccc(NCCCCOCc2ccccc2)nc1 ZINC000065229531 184315873 /nfs/dbraw/zinc/31/58/73/184315873.db2.gz DUJOCYDIHFUQOD-UHFFFAOYSA-N 0 0 301.346 3.399 10 5 DGBERN CCc1ccc(C(=O)N[C@@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000173354811 252656706 /nfs/dbraw/zinc/65/67/06/252656706.db2.gz AAPYBPIOWUFXIK-CQSZACIVSA-N 0 0 312.325 3.021 10 5 DGBERN O=[N+]([O-])[C@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1F ZINC000299805334 285075195 /nfs/dbraw/zinc/07/51/95/285075195.db2.gz JGEJNSUYFKBRNM-RDJZCZTQSA-N 0 0 300.333 3.070 10 5 DGBERN COc1cc(NC[C@@H]2CCO[C@H]2C(C)C)c([N+](=O)[O-])cc1F ZINC000337940248 253197199 /nfs/dbraw/zinc/19/71/99/253197199.db2.gz BEVHXDRLIITYIB-BONVTDFDSA-N 0 0 312.341 3.216 10 5 DGBERN CC1(C)SC[C@H]1Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000338422712 253285829 /nfs/dbraw/zinc/28/58/29/253285829.db2.gz RFTRKNJNZUBCOF-MRVPVSSYSA-N 0 0 318.196 3.058 10 5 DGBERN O=C(C/C=C\c1cccc(F)c1)NCc1ccc([N+](=O)[O-])cc1 ZINC000255596105 285167604 /nfs/dbraw/zinc/16/76/04/285167604.db2.gz YWZCIXJTUVVNBS-RQOWECAXSA-N 0 0 314.316 3.454 10 5 DGBERN CC(=O)N(C)c1cccc(Nc2c(F)cccc2[N+](=O)[O-])c1 ZINC000342839244 254062567 /nfs/dbraw/zinc/06/25/67/254062567.db2.gz APGBXTZKXHOCDF-UHFFFAOYSA-N 0 0 303.293 3.460 10 5 DGBERN O=[N+]([O-])c1cnc(N2CCc3[nH]c4ccc(F)cc4c3C2)s1 ZINC000195508035 285177275 /nfs/dbraw/zinc/17/72/75/285177275.db2.gz PYIBSIIGPOWGEU-UHFFFAOYSA-N 0 0 318.333 3.234 10 5 DGBERN CCN1C(=O)c2ccccc2N[C@H]1c1ccc([N+](=O)[O-])cc1C ZINC000183948721 285177327 /nfs/dbraw/zinc/17/73/27/285177327.db2.gz FMSJOYIGEWKZRW-MRXNPFEDSA-N 0 0 311.341 3.490 10 5 DGBERN O=[N+]([O-])c1cc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cs1 ZINC000289618378 221107362 /nfs/dbraw/zinc/10/73/62/221107362.db2.gz RHNCESOOUWENFF-JSGCOSHPSA-N 0 0 308.403 3.190 10 5 DGBERN Cc1cccc(C(=O)N2CCC(OCC(C)C)CC2)c1[N+](=O)[O-] ZINC000124922686 195694461 /nfs/dbraw/zinc/69/44/61/195694461.db2.gz KOCRJTWOMXWZHF-UHFFFAOYSA-N 0 0 320.389 3.180 10 5 DGBERN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H](C)C(=O)OC(C)(C)C ZINC000470205807 533410043 /nfs/dbraw/zinc/41/00/43/533410043.db2.gz GOMMSZQNIZYTQJ-CNELAYHGSA-N 0 0 320.389 3.318 10 5 DGBERN O=[N+]([O-])c1cc(Cl)c(NCCc2cn[nH]c2)c(Cl)c1 ZINC000357626928 285809257 /nfs/dbraw/zinc/80/92/57/285809257.db2.gz LFSIPPFHEXHVAZ-UHFFFAOYSA-N 0 0 301.133 3.279 10 5 DGBERN CC(=O)c1cc(N2CCC[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000587990456 400177250 /nfs/dbraw/zinc/17/72/50/400177250.db2.gz JFYKEKFSMGZBJV-QGZVFWFLSA-N 0 0 318.373 3.194 10 5 DGBERN CCOc1cccc(CCNc2c(F)cccc2[N+](=O)[O-])n1 ZINC000587999420 400178531 /nfs/dbraw/zinc/17/85/31/400178531.db2.gz PELJXSYYDVFLDJ-UHFFFAOYSA-N 0 0 305.309 3.182 10 5 DGBERN O=[N+]([O-])c1sccc1NCc1ccnc(OC(F)F)c1 ZINC000588050752 400183078 /nfs/dbraw/zinc/18/30/78/400183078.db2.gz QXRIFKCKQYEGGV-UHFFFAOYSA-N 0 0 301.274 3.265 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(Nc2ccc3n[nH]cc3c2)c1 ZINC000092583319 400183392 /nfs/dbraw/zinc/18/33/92/400183392.db2.gz PARWVKMHSCREMK-UHFFFAOYSA-N 0 0 302.265 3.362 10 5 DGBERN COc1ccc(C[C@@H](C)Nc2cccnc2[N+](=O)[O-])cc1OC ZINC000609289412 400156996 /nfs/dbraw/zinc/15/69/96/400156996.db2.gz ZCNLSDWOAHPMKS-LLVKDONJSA-N 0 0 317.345 3.050 10 5 DGBERN Cc1ccc([C@@H]2CCCN2c2c([N+](=O)[O-])ncn2C)cc1C ZINC000068139198 400237652 /nfs/dbraw/zinc/23/76/52/400237652.db2.gz IYZMKHMIJIQYGT-AWEZNQCLSA-N 0 0 300.362 3.287 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCc3ccc(Br)cc32)cn1 ZINC000609802165 400192878 /nfs/dbraw/zinc/19/28/78/400192878.db2.gz BPOBENNPMMIPRT-UHFFFAOYSA-N 0 0 320.146 3.447 10 5 DGBERN Cc1cc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c(C)[nH]1 ZINC000610046973 400210126 /nfs/dbraw/zinc/21/01/26/400210126.db2.gz SSMZNTLEBSEZKN-UHFFFAOYSA-N 0 0 315.373 3.292 10 5 DGBERN O=[N+]([O-])c1c(F)ccc(Br)c1OC(F)(F)F ZINC000396053968 400282125 /nfs/dbraw/zinc/28/21/25/400282125.db2.gz IMJDDBHFPULIJF-UHFFFAOYSA-N 0 0 303.993 3.395 10 5 DGBERN CCOC(=O)c1cc([N+](=O)[O-])cc(Br)c1Cl ZINC000034763542 400386426 /nfs/dbraw/zinc/38/64/26/400386426.db2.gz QFTAGLWUTDBYHH-UHFFFAOYSA-N 0 0 308.515 3.187 10 5 DGBERN Cc1ccc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000110441953 400356337 /nfs/dbraw/zinc/35/63/37/400356337.db2.gz FJUWZAHLCGHNLD-HZPDHXFCSA-N 0 0 310.353 3.437 10 5 DGBERN COc1cc(CN(C)c2sccc2[N+](=O)[O-])cc(OC)c1 ZINC000611411854 400396434 /nfs/dbraw/zinc/39/64/34/400396434.db2.gz WFDOPOSEJVQDMV-UHFFFAOYSA-N 0 0 308.359 3.310 10 5 DGBERN Cc1ccccc1[C@H](C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000045269385 400517297 /nfs/dbraw/zinc/51/72/97/400517297.db2.gz NJXKGCPPLOQZJX-NSHDSACASA-N 0 0 324.340 3.271 10 5 DGBERN CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1nccs1 ZINC000131622110 400551863 /nfs/dbraw/zinc/55/18/63/400551863.db2.gz HNAUWMMCURJGCE-LLVKDONJSA-N 0 0 305.359 3.241 10 5 DGBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1nccs1 ZINC000131543795 400551921 /nfs/dbraw/zinc/55/19/21/400551921.db2.gz XZTHTMFUUARXCI-LLVKDONJSA-N 0 0 309.322 3.072 10 5 DGBERN CCc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 ZINC000138712417 400599823 /nfs/dbraw/zinc/59/98/23/400599823.db2.gz KNCWOMKPLUJYBI-UHFFFAOYSA-N 0 0 316.342 3.347 10 5 DGBERN COC(=O)c1ccc2oc3c(O)cc(SC)cc3c(=O)c2c1 ZINC000139015417 400603110 /nfs/dbraw/zinc/60/31/10/400603110.db2.gz SKZNSORYDKHIBZ-UHFFFAOYSA-N 0 0 316.334 3.160 10 5 DGBERN CC[C@@H]([C@H](C)CC(=O)Nc1ccc(C#N)c(Cl)c1)[N+](=O)[O-] ZINC000150253493 400664958 /nfs/dbraw/zinc/66/49/58/400664958.db2.gz QGNJSFFGLQZFJK-RNCFNFMXSA-N 0 0 309.753 3.232 10 5 DGBERN COCc1cncc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000613175111 400668502 /nfs/dbraw/zinc/66/85/02/400668502.db2.gz FTYRLVMAELNZEU-UHFFFAOYSA-N 0 0 315.329 3.005 10 5 DGBERN CCCN(CC(F)F)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000156045561 400707154 /nfs/dbraw/zinc/70/71/54/400707154.db2.gz DUFQGKQKKOGLHU-UHFFFAOYSA-N 0 0 311.288 3.193 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CCC(OC(C)C)CC1 ZINC000156481887 400710986 /nfs/dbraw/zinc/71/09/86/400710986.db2.gz LHVLZQMHQSLZOS-UHFFFAOYSA-N 0 0 320.389 3.369 10 5 DGBERN C[C@H](Cc1ccccc1)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078148816 400774294 /nfs/dbraw/zinc/77/42/94/400774294.db2.gz GHINLXQEZYOKKZ-CYBMUJFWSA-N 0 0 310.353 3.363 10 5 DGBERN Cc1oc2ncnc(NC(=O)c3csc([N+](=O)[O-])c3)c2c1C ZINC000172325575 400820007 /nfs/dbraw/zinc/82/00/07/400820007.db2.gz OFEBMIVSAIBXRX-UHFFFAOYSA-N 0 0 318.314 3.062 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCCC[C@H]2c2ccnn2C)n1 ZINC000619588842 400869880 /nfs/dbraw/zinc/86/98/80/400869880.db2.gz LEJNVVUNEYIHNT-AWEZNQCLSA-N 0 0 315.377 3.072 10 5 DGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000172786555 400839526 /nfs/dbraw/zinc/83/95/26/400839526.db2.gz HMETVYYGTMGVJR-CVEARBPZSA-N 0 0 302.374 3.427 10 5 DGBERN Cc1cnc(N2CCC[C@@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])c1 ZINC000614150331 400844425 /nfs/dbraw/zinc/84/44/25/400844425.db2.gz QLBWHMXZQIVKQU-NXEZZACHSA-N 0 0 303.284 3.465 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CC(Cc2cccc(C)c2)C1 ZINC000619485032 400856048 /nfs/dbraw/zinc/85/60/48/400856048.db2.gz AHEJZBLQRTXCME-UHFFFAOYSA-N 0 0 314.389 3.107 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1NCc1nc(-c2cccs2)n[nH]1 ZINC000080981016 401012548 /nfs/dbraw/zinc/01/25/48/401012548.db2.gz YILWZKGXWCSRAM-UHFFFAOYSA-N 0 0 315.358 3.362 10 5 DGBERN Cc1ccc(NCc2nc(-c3cccs3)n[nH]2)c([N+](=O)[O-])c1 ZINC000080981043 401012963 /nfs/dbraw/zinc/01/29/63/401012963.db2.gz MQRSTLXDRHOQKX-UHFFFAOYSA-N 0 0 315.358 3.362 10 5 DGBERN COCc1cc([N+](=O)[O-])ccc1N(C)Cc1nc(C)cs1 ZINC000080644290 400972357 /nfs/dbraw/zinc/97/23/57/400972357.db2.gz FLWCBJUILZOXFZ-UHFFFAOYSA-N 0 0 307.375 3.143 10 5 DGBERN CC[C@@H]1CN(c2cc(OC)cc(F)c2[N+](=O)[O-])CCS1 ZINC000080653074 400974363 /nfs/dbraw/zinc/97/43/63/400974363.db2.gz NMGRRSQQEGHUMZ-SNVBAGLBSA-N 0 0 300.355 3.074 10 5 DGBERN C[C@@H]1CCN(c2c([N+](=O)[O-])ncn2C)[C@@H]1c1cccc(F)c1 ZINC000080671799 400978165 /nfs/dbraw/zinc/97/81/65/400978165.db2.gz JHXZDABQSKZZPJ-MFKMUULPSA-N 0 0 304.325 3.055 10 5 DGBERN CO[C@H]1CN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC[C@@H]1C ZINC000302517088 286074617 /nfs/dbraw/zinc/07/46/17/286074617.db2.gz ASVLVLZMITWZKU-ZBEGNZNMSA-N 0 0 315.373 3.313 10 5 DGBERN C[C@@H]1CC[C@@H](C)N(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000408025022 296639059 /nfs/dbraw/zinc/63/90/59/296639059.db2.gz MQXKVHNKBWCNFR-GHMZBOCLSA-N 0 0 301.346 3.337 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCC([C@@H]3CCCO3)CC2)c1 ZINC000302576840 286225598 /nfs/dbraw/zinc/22/55/98/286225598.db2.gz RZUBXXDOENJPNW-HNNXBMFYSA-N 0 0 324.352 3.138 10 5 DGBERN CC(=O)c1ccc(CNc2nc(C)cc(C)c2[N+](=O)[O-])nc1C ZINC000359096950 286236122 /nfs/dbraw/zinc/23/61/22/286236122.db2.gz LJUBWADECNLUAG-UHFFFAOYSA-N 0 0 314.345 3.125 10 5 DGBERN Cc1nccc(CSCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000359113808 286240219 /nfs/dbraw/zinc/24/02/19/286240219.db2.gz DPZWFJKAOGBAAH-UHFFFAOYSA-N 0 0 305.359 3.005 10 5 DGBERN CC[C@@H](C)Oc1cc(CNc2ccc([N+](=O)[O-])nc2)ccn1 ZINC000362650305 286844775 /nfs/dbraw/zinc/84/47/75/286844775.db2.gz RACYQRLVGZQFMT-LLVKDONJSA-N 0 0 302.334 3.174 10 5 DGBERN CCOc1ccc(C(=O)N2CC3(C2)CCCCC3)cc1[N+](=O)[O-] ZINC000364287639 287008541 /nfs/dbraw/zinc/00/85/41/287008541.db2.gz FUFXNJVGBHJWCH-UHFFFAOYSA-N 0 0 318.373 3.400 10 5 DGBERN COCc1ccsc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000180221176 164877671 /nfs/dbraw/zinc/87/76/71/164877671.db2.gz MLOUFGONPRVUMK-UHFFFAOYSA-N 0 0 318.354 3.006 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])cc1NCc1nnc(C2CCC2)n1C ZINC000180940232 164899533 /nfs/dbraw/zinc/89/95/33/164899533.db2.gz ZFAYSQFQNPMCJG-UHFFFAOYSA-N 0 0 315.377 3.220 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)Nc2ccncc2[N+](=O)[O-])cc1F ZINC000183648609 164957388 /nfs/dbraw/zinc/95/73/88/164957388.db2.gz GRZHFFAAUPIZDP-JTQLQIEISA-N 0 0 318.308 3.320 10 5 DGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCSC ZINC000185386645 165003101 /nfs/dbraw/zinc/00/31/01/165003101.db2.gz FBRDXMVEKNJJBD-CQSZACIVSA-N 0 0 324.446 3.423 10 5 DGBERN Cc1cc(OCc2nnc(C3CCC3)n2C)c(F)cc1[N+](=O)[O-] ZINC000185646556 165010917 /nfs/dbraw/zinc/01/09/17/165010917.db2.gz ZHTQWBHUCHDHOI-UHFFFAOYSA-N 0 0 320.324 3.017 10 5 DGBERN Cc1occc1-c1nnc(NCc2ccc([N+](=O)[O-])cc2C)o1 ZINC000185870170 165019136 /nfs/dbraw/zinc/01/91/36/165019136.db2.gz JWHYWQWWXZCNDL-UHFFFAOYSA-N 0 0 314.301 3.467 10 5 DGBERN CCc1cc(O)ccc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000191099541 165231137 /nfs/dbraw/zinc/23/11/37/165231137.db2.gz JMSXWBVWVWKJPM-UHFFFAOYSA-N 0 0 306.343 3.485 10 5 DGBERN O=[N+]([O-])c1ccccc1-c1cnn(C[C@@H](O)CC2CCCC2)c1 ZINC000191378266 165246305 /nfs/dbraw/zinc/24/63/05/165246305.db2.gz MSIBQYFVAPWKPW-HNNXBMFYSA-N 0 0 315.373 3.400 10 5 DGBERN O=C(N1CCCC12CCC2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000365199254 287109311 /nfs/dbraw/zinc/10/93/11/287109311.db2.gz FDKBQZAADANLLL-UHFFFAOYSA-N 0 0 310.300 3.232 10 5 DGBERN Cc1cc(NCC[C@H]2c3ccccc3NC2=O)ccc1[N+](=O)[O-] ZINC000193663432 165329431 /nfs/dbraw/zinc/32/94/31/165329431.db2.gz HECKOANBHGKQPO-AWEZNQCLSA-N 0 0 311.341 3.441 10 5 DGBERN CCCc1n[nH]c(C(=O)N2CCC(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000172131304 432197619 /nfs/dbraw/zinc/19/76/19/432197619.db2.gz MCZVVRUJSHSPKD-UHFFFAOYSA-N 0 0 322.409 3.169 10 5 DGBERN O=C(Cc1cnc2ccccc2c1)NCc1ccccc1[N+](=O)[O-] ZINC000131362072 196161639 /nfs/dbraw/zinc/16/16/39/196161639.db2.gz PSXDUUXJXHZXBE-UHFFFAOYSA-N 0 0 321.336 3.002 10 5 DGBERN C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000172091852 228274898 /nfs/dbraw/zinc/27/48/98/228274898.db2.gz UYGLUOPVTVELLQ-NSHDSACASA-N 0 0 308.403 3.382 10 5 DGBERN Cc1cc(NCC[C@@H]2CCCO2)c2cccc([N+](=O)[O-])c2n1 ZINC000302041412 230058159 /nfs/dbraw/zinc/05/81/59/230058159.db2.gz WMOUJZLUVRVXBU-LBPRGKRZSA-N 0 0 301.346 3.432 10 5 DGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000062514745 263521377 /nfs/dbraw/zinc/52/13/77/263521377.db2.gz GWOWRHDRRMFYTL-SJORKVTESA-N 0 0 310.353 3.057 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2ccc(Cl)cc21 ZINC000194841544 263821786 /nfs/dbraw/zinc/82/17/86/263821786.db2.gz OHUNDQLIJKVUJJ-UHFFFAOYSA-N 0 0 317.732 3.155 10 5 DGBERN O=[N+]([O-])c1cnc(N[C@H]2C[C@H](c3cccc(Cl)c3)C2)nc1 ZINC000369715915 271312826 /nfs/dbraw/zinc/31/28/26/271312826.db2.gz XZEJXBCBJGWSEG-UMSPYCQHSA-N 0 0 304.737 3.396 10 5 DGBERN Cc1c(C(=O)Nc2cccc3c2OCCC3)cccc1[N+](=O)[O-] ZINC000370495859 271366067 /nfs/dbraw/zinc/36/60/67/271366067.db2.gz GHJZZPLHASYWSR-UHFFFAOYSA-N 0 0 312.325 3.481 10 5 DGBERN CC[C@H](NCc1ncnn1CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000183112075 432260648 /nfs/dbraw/zinc/26/06/48/432260648.db2.gz KNVDGPKBFXOSSH-HNNXBMFYSA-N 0 0 317.393 3.083 10 5 DGBERN COc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1 ZINC000103377602 277875888 /nfs/dbraw/zinc/87/58/88/277875888.db2.gz DTJKOSMAJKWGOJ-LLVKDONJSA-N 0 0 312.325 3.195 10 5 DGBERN CC(=O)CC(C)(C)CC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000276585587 277935122 /nfs/dbraw/zinc/93/51/22/277935122.db2.gz YWOTWTJTISIYAA-LBPRGKRZSA-N 0 0 306.362 3.167 10 5 DGBERN C[C@@H](O)C1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000124389700 278391113 /nfs/dbraw/zinc/39/11/13/278391113.db2.gz WINUQKAHBRROSE-MRVPVSSYSA-N 0 0 319.188 3.499 10 5 DGBERN C[C@@H]1COCC[C@@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000277610788 278852703 /nfs/dbraw/zinc/85/27/03/278852703.db2.gz LUAVOKDPVDQJOU-SCZZXKLOSA-N 0 0 315.167 3.194 10 5 DGBERN Cc1ccccc1N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302857580 278951800 /nfs/dbraw/zinc/95/18/00/278951800.db2.gz MNNSBAGEIVEPPQ-UHFFFAOYSA-N 0 0 315.348 3.369 10 5 DGBERN C[C@@H]1CCC[C@H](C)N1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000110711688 431193143 /nfs/dbraw/zinc/19/31/43/431193143.db2.gz NMRVSRHIKLXNHS-PHIMTYICSA-N 0 0 301.346 3.479 10 5 DGBERN O=C(N1CCc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000434652491 279811091 /nfs/dbraw/zinc/81/10/91/279811091.db2.gz GQAGDLFVFSPGNV-UHFFFAOYSA-N 0 0 323.352 3.136 10 5 DGBERN C[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@@H]1O ZINC000408108604 279878633 /nfs/dbraw/zinc/87/86/33/279878633.db2.gz SLLACYBTRZDUJQ-CPCISQLKSA-N 0 0 305.161 3.109 10 5 DGBERN C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@@H](c2ccc(F)cc2)O1 ZINC000266308894 279883462 /nfs/dbraw/zinc/88/34/62/279883462.db2.gz ZXQAISAETZIQKC-NHYWBVRUSA-N 0 0 317.320 3.095 10 5 DGBERN C[C@H]1COCC[C@H]1Nc1cc(Br)ccc1[N+](=O)[O-] ZINC000277631112 279920244 /nfs/dbraw/zinc/92/02/44/279920244.db2.gz MZASRBBSISLXCI-WCBMZHEXSA-N 0 0 315.167 3.194 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1CNc1cccc2c1OCC[C@H]2O ZINC000184064321 280660897 /nfs/dbraw/zinc/66/08/97/280660897.db2.gz VZVRXEJALFOTHD-MRXNPFEDSA-N 0 0 314.341 3.331 10 5 DGBERN Cc1cc2c(n1C)CCC[C@H]2Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000301442805 280683593 /nfs/dbraw/zinc/68/35/93/280683593.db2.gz PLXOWPAYBUHIEY-CYBMUJFWSA-N 0 0 300.362 3.435 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCOc2ccc(F)cc21 ZINC000088265720 431856404 /nfs/dbraw/zinc/85/64/04/431856404.db2.gz NQUBWJQZWMVSOR-UHFFFAOYSA-N 0 0 316.288 3.082 10 5 DGBERN Cc1csc([C@H]2CCCN(c3nc(C)ccc3[N+](=O)[O-])C2)n1 ZINC000123691420 431872462 /nfs/dbraw/zinc/87/24/62/431872462.db2.gz MKEIIWVJEMDNIZ-LBPRGKRZSA-N 0 0 318.402 3.447 10 5 DGBERN CC[C@H](NC(=O)COc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000090466303 431892209 /nfs/dbraw/zinc/89/22/09/431892209.db2.gz PLLMDJNKZIKNLQ-INIZCTEOSA-N 0 0 314.341 3.241 10 5 DGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CCCC[C@H]1O ZINC000052006207 431954024 /nfs/dbraw/zinc/95/40/24/431954024.db2.gz JXHIVYICEHUMGA-CMPLNLGQSA-N 0 0 315.167 3.073 10 5 DGBERN CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1ncccc1[N+](=O)[O-] ZINC000127868861 431982645 /nfs/dbraw/zinc/98/26/45/431982645.db2.gz WTMDPRVZWNQUBH-RYUDHWBXSA-N 0 0 323.418 3.262 10 5 DGBERN C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCCO1 ZINC000128065287 431986082 /nfs/dbraw/zinc/98/60/82/431986082.db2.gz DDMOPZAHKQCAPB-HNNXBMFYSA-N 0 0 316.357 3.466 10 5 DGBERN CCCCC1CCC(NC(=O)c2nn(CC)cc2[N+](=O)[O-])CC1 ZINC000191574235 432278675 /nfs/dbraw/zinc/27/86/75/432278675.db2.gz VBWLXVYSYJHGJM-UHFFFAOYSA-N 0 0 322.409 3.290 10 5 DGBERN CC(C)Cn1ccnc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173441995 432279398 /nfs/dbraw/zinc/27/93/98/432279398.db2.gz ZOPZQXVJWKDWRH-ZDUSSCGKSA-N 0 0 302.378 3.298 10 5 DGBERN COC[C@H](NCc1ccc([N+](=O)[O-])cc1C)c1ccc(C)o1 ZINC000183532872 432302324 /nfs/dbraw/zinc/30/23/24/432302324.db2.gz LOKDJOMIALXXQT-HNNXBMFYSA-N 0 0 304.346 3.282 10 5 DGBERN CCCCc1ccc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])cc1 ZINC000191450658 432265310 /nfs/dbraw/zinc/26/53/10/432265310.db2.gz BCOBNVXCNOXXJU-UHFFFAOYSA-N 0 0 316.361 3.406 10 5 DGBERN Cc1noc(C)c1[C@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000152299670 432321907 /nfs/dbraw/zinc/32/19/07/432321907.db2.gz BAWWEGLSDIDQSB-SSDOTTSWSA-N 0 0 323.374 3.103 10 5 DGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@H]1CCCO[C@H]1C ZINC000192235186 432348782 /nfs/dbraw/zinc/34/87/82/432348782.db2.gz JPPYPWHYORRDJA-UWVGGRQHSA-N 0 0 313.737 3.277 10 5 DGBERN O=[N+]([O-])c1ccccc1CNc1cccc2c1OCC[C@@H]2O ZINC000184059408 432350606 /nfs/dbraw/zinc/35/06/06/432350606.db2.gz ZTEMRBFKWVEXPO-HNNXBMFYSA-N 0 0 300.314 3.023 10 5 DGBERN O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CCCc2ccccc21 ZINC000183640003 432311296 /nfs/dbraw/zinc/31/12/96/432311296.db2.gz MELAXNCHPSCCLC-ZDUSSCGKSA-N 0 0 312.329 3.189 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000192587534 432391050 /nfs/dbraw/zinc/39/10/50/432391050.db2.gz IHHPTVODOQPBJE-UONOGXRCSA-N 0 0 300.362 3.335 10 5 DGBERN Cc1c(C(=O)NCC2(C)CCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000175129808 432400149 /nfs/dbraw/zinc/40/01/49/432400149.db2.gz NLQZMGTYYKSKSB-UHFFFAOYSA-N 0 0 321.333 3.040 10 5 DGBERN Cn1cc([C@@H]2CCCN2Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000153763879 432441299 /nfs/dbraw/zinc/44/12/99/432441299.db2.gz TZRNHFKLRWRQAC-AWEZNQCLSA-N 0 0 320.780 3.319 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])s1)N1Cc2ccccc2C2(CC2)C1 ZINC000184627367 432414682 /nfs/dbraw/zinc/41/46/82/432414682.db2.gz OIXPRWAOOKWIMH-UHFFFAOYSA-N 0 0 314.366 3.344 10 5 DGBERN CCCn1cc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000154310842 432489266 /nfs/dbraw/zinc/48/92/66/432489266.db2.gz MVYBSZYIZFZAHB-UHFFFAOYSA-N 0 0 314.389 3.366 10 5 DGBERN C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000176171209 432498248 /nfs/dbraw/zinc/49/82/48/432498248.db2.gz SDOJDTLETUCZFS-NSHDSACASA-N 0 0 304.371 3.466 10 5 DGBERN CCCN(C(=O)[C@H](C)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000194137093 432525958 /nfs/dbraw/zinc/52/59/58/432525958.db2.gz HRDDEAVEANHPNV-CYBMUJFWSA-N 0 0 320.389 3.401 10 5 DGBERN CC(C)[C@@H]1C[C@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000185835721 432537773 /nfs/dbraw/zinc/53/77/73/432537773.db2.gz YFYDYQXBIGKVML-JKSUJKDBSA-N 0 0 302.374 3.378 10 5 DGBERN C[C@H](c1cccnc1)N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195191209 432610905 /nfs/dbraw/zinc/61/09/05/432610905.db2.gz AWRZVCNYKSHBGZ-LLVKDONJSA-N 0 0 324.340 3.304 10 5 DGBERN Cc1ccc([C@@H](C)OC(=O)CC2CCOCC2)cc1[N+](=O)[O-] ZINC000176945497 432567144 /nfs/dbraw/zinc/56/71/44/432567144.db2.gz OTWIGIRQRDKTFN-GFCCVEGCSA-N 0 0 307.346 3.324 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000194781052 432575792 /nfs/dbraw/zinc/57/57/92/432575792.db2.gz UCXZNSQJUJVLEL-JKSUJKDBSA-N 0 0 314.316 3.328 10 5 DGBERN C[C@@H](Cc1ccccc1)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000155965079 432583693 /nfs/dbraw/zinc/58/36/93/432583693.db2.gz MNYJXIRFRLMUMM-NSHDSACASA-N 0 0 300.314 3.118 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1c2ccccc2CC[C@H]1C ZINC000194926556 432586974 /nfs/dbraw/zinc/58/69/74/432586974.db2.gz CRANWBBCDPQHDU-LLVKDONJSA-N 0 0 311.341 3.280 10 5 DGBERN CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000195110197 432604286 /nfs/dbraw/zinc/60/42/86/432604286.db2.gz IUMXBBXVJJGLER-UHFFFAOYSA-N 0 0 305.359 3.022 10 5 DGBERN COc1ccc(F)cc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000186721379 432625387 /nfs/dbraw/zinc/62/53/87/432625387.db2.gz GOPKTAFRNZLMDJ-UHFFFAOYSA-N 0 0 319.292 3.064 10 5 DGBERN CC(=O)c1ccc(OCCCC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000186645677 432618350 /nfs/dbraw/zinc/61/83/50/432618350.db2.gz FOIOJWUDDOZANX-UHFFFAOYSA-N 0 0 323.345 3.298 10 5 DGBERN CC[C@H](NC(=O)[C@@H](C)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000177796294 432661750 /nfs/dbraw/zinc/66/17/50/432661750.db2.gz QZCOTLYSACSJLW-LRDDRELGSA-N 0 0 313.357 3.361 10 5 DGBERN CC[C@H](NC(=O)CSC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000177799436 432663492 /nfs/dbraw/zinc/66/34/92/432663492.db2.gz VISSAYLNGGACPS-JTQLQIEISA-N 0 0 322.308 3.415 10 5 DGBERN CCC[C@@H](Nc1ccc([N+](=O)[O-])c(C)n1)C(=O)OC(C)(C)C ZINC000159984758 432703406 /nfs/dbraw/zinc/70/34/06/432703406.db2.gz OFDUZNHMRKMOIF-LLVKDONJSA-N 0 0 309.366 3.221 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)COCc2ccccc2)n1 ZINC000178241298 432710933 /nfs/dbraw/zinc/71/09/33/432710933.db2.gz HITNWLOOGMJKAN-ZDUSSCGKSA-N 0 0 301.346 3.315 10 5 DGBERN CCC1(CC)CN(Cc2ccc([N+](=O)[O-])cc2C)CC[S@]1=O ZINC000187567141 432670268 /nfs/dbraw/zinc/67/02/68/432670268.db2.gz HEDSFWNNGFQIHJ-JOCHJYFZSA-N 0 0 324.446 3.026 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000189101122 432764192 /nfs/dbraw/zinc/76/41/92/432764192.db2.gz DSBHSPBUSLNTCJ-LBPRGKRZSA-N 0 0 321.377 3.291 10 5 DGBERN O=[N+]([O-])c1cncc(Br)c1NCC1(C2CC2)CC1 ZINC000231630846 432732795 /nfs/dbraw/zinc/73/27/95/432732795.db2.gz NBFFJRQCQHCONG-UHFFFAOYSA-N 0 0 312.167 3.354 10 5 DGBERN Cc1cc(N[C@H](C)[C@H](C)CO)c(Br)cc1[N+](=O)[O-] ZINC000235456502 432743078 /nfs/dbraw/zinc/74/30/78/432743078.db2.gz QRGLPBJHXJBMEM-RKDXNWHRSA-N 0 0 317.183 3.095 10 5 DGBERN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCO1 ZINC000178939906 432789954 /nfs/dbraw/zinc/78/99/54/432789954.db2.gz RGAZUALEKREGRM-JTQLQIEISA-N 0 0 318.295 3.224 10 5 DGBERN Cc1cccc(C)c1OCCCn1cc([N+](=O)[O-])cc(C)c1=O ZINC000155908861 292719490 /nfs/dbraw/zinc/71/94/90/292719490.db2.gz FAHPHFNOQVVQQG-UHFFFAOYSA-N 0 0 316.357 3.151 10 5 DGBERN COc1cc(N2CCOc3cccc(F)c3C2)ccc1[N+](=O)[O-] ZINC000374583779 433229163 /nfs/dbraw/zinc/22/91/63/433229163.db2.gz ITGJWJMONINUKY-UHFFFAOYSA-N 0 0 318.304 3.142 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000281942459 433435790 /nfs/dbraw/zinc/43/57/90/433435790.db2.gz RSKWAZJBEGGZQB-VBQJREDUSA-N 0 0 304.390 3.423 10 5 DGBERN O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](n4cccn4)C3)ccc2c1 ZINC000301201045 433450835 /nfs/dbraw/zinc/45/08/35/433450835.db2.gz WMJCEYXNDXKDSH-OAHLLOKOSA-N 0 0 323.356 3.181 10 5 DGBERN CN(c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000301362176 433520225 /nfs/dbraw/zinc/52/02/25/433520225.db2.gz PGJMCUWDMKABGS-LERXQTSPSA-N 0 0 310.781 3.498 10 5 DGBERN CN(c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000301362174 433522816 /nfs/dbraw/zinc/52/28/16/433522816.db2.gz PGJMCUWDMKABGS-GDLCADMTSA-N 0 0 310.781 3.498 10 5 DGBERN CCC[C@H]1C[C@H]1Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000301416464 433540871 /nfs/dbraw/zinc/54/08/71/433540871.db2.gz CBSSCDFNSWIETA-IINYFYTJSA-N 0 0 303.362 3.088 10 5 DGBERN CC(=O)CCC(C)(C)c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000351544150 433562218 /nfs/dbraw/zinc/56/22/18/433562218.db2.gz JREIECZEBGKQIF-UHFFFAOYSA-N 0 0 317.345 3.215 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1OCc1nc(C2CCCC2)no1 ZINC000161783155 292841464 /nfs/dbraw/zinc/84/14/64/292841464.db2.gz LHYFDHSOVAZDTB-UHFFFAOYSA-N 0 0 319.317 3.223 10 5 DGBERN CC[S@](=O)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000301577875 433617653 /nfs/dbraw/zinc/61/76/53/433617653.db2.gz TXDPZLSWXVOUKY-UPBLURMWSA-N 0 0 310.419 3.395 10 5 DGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C1CC1 ZINC000509198824 294342645 /nfs/dbraw/zinc/34/26/45/294342645.db2.gz VHVOPLUWOHFCKN-LBPRGKRZSA-N 0 0 305.378 3.313 10 5 DGBERN CCOc1ccc(C(=O)NC[C@@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000358032094 434296063 /nfs/dbraw/zinc/29/60/63/434296063.db2.gz GVLAQGXCKHVBPM-VXGBXAGGSA-N 0 0 306.362 3.160 10 5 DGBERN O=[N+]([O-])c1cnc(N[C@H]2CC23CCCC3)c(Br)c1 ZINC000386886096 434316167 /nfs/dbraw/zinc/31/61/67/434316167.db2.gz JIKCAOUSQNOWDK-JTQLQIEISA-N 0 0 312.167 3.497 10 5 DGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000450685150 434339537 /nfs/dbraw/zinc/33/95/37/434339537.db2.gz KQPDKVXWRTWRCV-RGFKIIKPSA-N 0 0 312.369 3.446 10 5 DGBERN COC[C@@H](CNc1ccc([N+](=O)[O-])nc1)c1ccc(Cl)cc1 ZINC000450715869 434360575 /nfs/dbraw/zinc/36/05/75/434360575.db2.gz JJDJQBVIINXXEP-GFCCVEGCSA-N 0 0 321.764 3.485 10 5 DGBERN CCOc1ccc(C(=O)N[C@@H]2C[C@]2(C)C(C)C)cc1[N+](=O)[O-] ZINC000458144840 434499311 /nfs/dbraw/zinc/49/93/11/434499311.db2.gz NCUPQLKIXSHWLP-GDBMZVCRSA-N 0 0 306.362 3.158 10 5 DGBERN Cc1nnc([C@@H]2CCCCN2c2cc(C)c([N+](=O)[O-])cc2F)[nH]1 ZINC000360067311 434501868 /nfs/dbraw/zinc/50/18/68/434501868.db2.gz WBXJAJPDQPVPAW-LBPRGKRZSA-N 0 0 319.340 3.200 10 5 DGBERN O=C(c1cc(NCCCC2CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000522903361 294931415 /nfs/dbraw/zinc/93/14/15/294931415.db2.gz JMSROZDIGSGEAD-UHFFFAOYSA-N 0 0 317.389 3.433 10 5 DGBERN C[C@H](Nc1ccc([N+](=O)[O-])nc1)c1ccc(Br)cn1 ZINC000360107969 434522752 /nfs/dbraw/zinc/52/27/52/434522752.db2.gz NJKNGEQDKHHXJY-QMMMGPOBSA-N 0 0 323.150 3.320 10 5 DGBERN C[C@H]1C[C@H](c2ccccc2)CN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000360454288 434610810 /nfs/dbraw/zinc/61/08/10/434610810.db2.gz HUCJCBLFPNSFJF-JSGCOSHPSA-N 0 0 323.356 3.020 10 5 DGBERN C[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000266289176 297086001 /nfs/dbraw/zinc/08/60/01/297086001.db2.gz WFEBTCCGRMRGTM-ABAIWWIYSA-N 0 0 317.320 3.095 10 5 DGBERN COC(=O)c1cc(C)nc(N2CCC[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC000557535910 435057974 /nfs/dbraw/zinc/05/79/74/435057974.db2.gz OWFBEKIDBCYPAR-GFCCVEGCSA-N 0 0 321.377 3.100 10 5 DGBERN CCOc1cc(OC(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000575658216 435039403 /nfs/dbraw/zinc/03/94/03/435039403.db2.gz RHHWWALPYLETIE-UHFFFAOYSA-N 0 0 317.166 3.494 10 5 DGBERN CCOc1cc(OC(F)F)cc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575658343 435039882 /nfs/dbraw/zinc/03/98/82/435039882.db2.gz SJHLYBIRYWSWGB-UHFFFAOYSA-N 0 0 317.166 3.494 10 5 DGBERN CCOc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1OC(F)F ZINC000575655579 435039895 /nfs/dbraw/zinc/03/98/95/435039895.db2.gz AGUSEPFSYDBZIH-UHFFFAOYSA-N 0 0 317.166 3.494 10 5 DGBERN CC(=O)c1cc(OC(F)F)c([N+](=O)[O-])cc1OC(F)(F)F ZINC000575667062 435042237 /nfs/dbraw/zinc/04/22/37/435042237.db2.gz KHQJPNITWRLZKQ-UHFFFAOYSA-N 0 0 315.150 3.297 10 5 DGBERN CC(=O)c1cc(OC(F)F)cc([N+](=O)[O-])c1Br ZINC000575682842 435043750 /nfs/dbraw/zinc/04/37/50/435043750.db2.gz FDVOSBZUEYDCNE-UHFFFAOYSA-N 0 0 310.050 3.161 10 5 DGBERN COc1ccc(Br)c(Br)c1[N+](=O)[O-] ZINC000575695837 435047152 /nfs/dbraw/zinc/04/71/52/435047152.db2.gz YWNNPEYDQDONRI-UHFFFAOYSA-N 0 0 310.929 3.128 10 5 DGBERN COc1cc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000579430441 435152494 /nfs/dbraw/zinc/15/24/94/435152494.db2.gz KXTGQQHWPGTHRV-JTQLQIEISA-N 0 0 316.313 3.051 10 5 DGBERN O=c1[nH]cnc2cc(N[C@@H]3CCCC(F)(F)C3)c([N+](=O)[O-])cc12 ZINC000532607884 435177963 /nfs/dbraw/zinc/17/79/63/435177963.db2.gz XCHJUWNNYVUMRS-MRVPVSSYSA-N 0 0 324.287 3.233 10 5 DGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCOCC1CCC1 ZINC000584028227 435268599 /nfs/dbraw/zinc/26/85/99/435268599.db2.gz TWPCVBCDMQPJPP-UHFFFAOYSA-N 0 0 321.377 3.150 10 5 DGBERN COCCC[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])nc1 ZINC000480560157 435383880 /nfs/dbraw/zinc/38/38/80/435383880.db2.gz VOHYCWJTZNISTM-OAHLLOKOSA-N 0 0 315.373 3.440 10 5 DGBERN CC[C@H]1CCC[C@@H]1Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000571293508 435695266 /nfs/dbraw/zinc/69/52/66/435695266.db2.gz PAWHGJXCDPFZQO-JQWIXIFHSA-N 0 0 307.350 3.075 10 5 DGBERN C[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C[C@H](C)O1 ZINC000301894778 300298146 /nfs/dbraw/zinc/29/81/46/300298146.db2.gz TVBBIYRAKQHODL-RYUDHWBXSA-N 0 0 308.378 3.386 10 5 DGBERN Cc1ccnc(N2CC3(CCCC3)OC(C)(C)C2)c1[N+](=O)[O-] ZINC000302709957 302269504 /nfs/dbraw/zinc/26/95/04/302269504.db2.gz ZDFUHPUISOKNRP-UHFFFAOYSA-N 0 0 305.378 3.226 10 5 DGBERN COc1ccc([N+](=O)[O-])c(N2CC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000530482271 313374918 /nfs/dbraw/zinc/37/49/18/313374918.db2.gz KPLOERZQTVLQSC-WPRPVWTQSA-N 0 0 304.268 3.381 10 5 DGBERN COC(=O)c1cc(C)nc(N[C@@H]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000553446672 314644396 /nfs/dbraw/zinc/64/43/96/314644396.db2.gz OFXATEKUXSZXIQ-LLVKDONJSA-N 0 0 307.350 3.075 10 5 DGBERN Cc1csc([C@@H](C)NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000574808781 316002615 /nfs/dbraw/zinc/00/26/15/316002615.db2.gz ICHUDJDHVRQPNH-GHMZBOCLSA-N 0 0 319.386 3.341 10 5 DGBERN COc1ccc(C[C@H](C)CN(C)c2ccc([N+](=O)[O-])nc2)cc1 ZINC000576772815 316166801 /nfs/dbraw/zinc/16/68/01/316166801.db2.gz WIWJOYRZNWEWDM-ZDUSSCGKSA-N 0 0 315.373 3.313 10 5 DGBERN O=[N+]([O-])c1cc(-c2ccc(-n3ccc4ccncc43)nc2)ccn1 ZINC000584619748 337370816 /nfs/dbraw/zinc/37/08/16/337370816.db2.gz BCWVVEAMJILFHR-UHFFFAOYSA-N 0 0 317.308 3.391 10 5 DGBERN COC(=O)c1sc2ccc([N+](=O)[O-])cc2c1Br ZINC000584606614 337371717 /nfs/dbraw/zinc/37/17/17/337371717.db2.gz HUEYFXGTMDDILV-UHFFFAOYSA-N 0 0 316.132 3.359 10 5 DGBERN Cn1c(Br)nc([N+](=O)[O-])c1/C=C/c1ccccc1 ZINC000584609906 337372111 /nfs/dbraw/zinc/37/21/11/337372111.db2.gz OEIJZQKGNBXKOP-BQYQJAHWSA-N 0 0 308.135 3.261 10 5 DGBERN COC(=O)c1cc(N2CCCC[C@H](SC)C2)ccc1[N+](=O)[O-] ZINC000301792217 533848877 /nfs/dbraw/zinc/84/88/77/533848877.db2.gz RGDFWEYQYXESIX-LBPRGKRZSA-N 0 0 324.402 3.103 10 5 DGBERN C[C@@H](CNc1cc(CO)ccc1[N+](=O)[O-])Oc1ccccc1F ZINC000302028744 534090200 /nfs/dbraw/zinc/09/02/00/534090200.db2.gz JCPOSVGQDQVWRC-NSHDSACASA-N 0 0 320.320 3.106 10 5 DGBERN COc1cc(NCCC[C@@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000154521988 522743173 /nfs/dbraw/zinc/74/31/73/522743173.db2.gz ROZCLCBMEXVILU-WFASDCNBSA-N 0 0 308.378 3.347 10 5 DGBERN O=[N+]([O-])c1ccc(CO)cc1NCCCc1cccc(F)c1 ZINC000302064629 534881717 /nfs/dbraw/zinc/88/17/17/534881717.db2.gz TZHRSYBEGZFAKG-UHFFFAOYSA-N 0 0 304.321 3.271 10 5 DGBERN O=[N+]([O-])c1ccc(CO)cc1NCCc1cc2ccccc2o1 ZINC000302075942 534881929 /nfs/dbraw/zinc/88/19/29/534881929.db2.gz XYYFFMBBJJXMLW-UHFFFAOYSA-N 0 0 312.325 3.488 10 5 DGBERN CCC[C@H](C)c1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)n[nH]1 ZINC000173333042 528084792 /nfs/dbraw/zinc/08/47/92/528084792.db2.gz SUXWBEDMRCYUHT-VIFPVBQESA-N 0 0 317.349 3.177 10 5 DGBERN CC(C)n1nnnc1CS[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000176916621 528702613 /nfs/dbraw/zinc/70/26/13/528702613.db2.gz SRFSXMIMNYXLPL-JTQLQIEISA-N 0 0 307.379 3.157 10 5 DGBERN CCC1(CC)CN(c2ccc([N+](=O)[O-])c(C)c2)CC[S@]1=O ZINC000302213369 529086073 /nfs/dbraw/zinc/08/60/73/529086073.db2.gz FMZDDQAFANWYDC-NRFANRHFSA-N 0 0 310.419 3.031 10 5 DGBERN COc1cc(C)cc(NC(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000470451533 536642393 /nfs/dbraw/zinc/64/23/93/536642393.db2.gz JYWONDMAIRDZQX-UHFFFAOYSA-N 0 0 300.314 3.473 10 5 DGBERN Cc1n[nH]c(C(=O)NC(C2CCCC2)C2CCCC2)c1[N+](=O)[O-] ZINC000735473797 574703255 /nfs/dbraw/zinc/70/32/55/574703255.db2.gz BLPHGYFAYLUHOV-UHFFFAOYSA-N 0 0 320.393 3.105 10 5 DGBERN COc1ccc(OC(=O)[C@H](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000112000628 620783859 /nfs/dbraw/zinc/78/38/59/620783859.db2.gz ZAPKZPYQXPRKJA-GFCCVEGCSA-N 0 0 315.325 3.388 10 5 DGBERN Cc1ccc(CN(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000035122124 619155519 /nfs/dbraw/zinc/15/55/19/619155519.db2.gz VMYAOQZINLGOKJ-UHFFFAOYSA-N 0 0 308.721 3.422 10 5 DGBERN C[C@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCOCC1 ZINC000151663011 620469118 /nfs/dbraw/zinc/46/91/18/620469118.db2.gz QYLHDEOITFWCIM-VIFPVBQESA-N 0 0 313.737 3.220 10 5 DGBERN Cc1ccc(OC[C@@H](O)c2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC000153655548 620590850 /nfs/dbraw/zinc/59/08/50/620590850.db2.gz JMHUTNDDIHCZLT-CQSZACIVSA-N 0 0 309.268 3.294 10 5 DGBERN C[C@H](OC(=O)[C@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000113656558 620934642 /nfs/dbraw/zinc/93/46/42/620934642.db2.gz NTLIKZFCZBDYLU-NHYWBVRUSA-N 0 0 313.309 3.375 10 5 DGBERN Cc1nn(CN2CCC[C@@]3(CC=CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000114445197 621007142 /nfs/dbraw/zinc/00/71/42/621007142.db2.gz GNFHTXLLBCCTLI-INIZCTEOSA-N 0 0 304.394 3.188 10 5 DGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCCCC(F)(F)F ZINC000201074024 621315661 /nfs/dbraw/zinc/31/56/61/621315661.db2.gz OHVMUCONMYTDFI-DAXSKMNVSA-N 0 0 303.236 3.494 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccnc1Cl ZINC000103377504 621355972 /nfs/dbraw/zinc/35/59/72/621355972.db2.gz SMVHAABDOIPAPG-SECBINFHSA-N 0 0 317.732 3.235 10 5 DGBERN Cc1cccc(OS(=O)(=O)/C=C/c2ccccc2)c1[N+](=O)[O-] ZINC000134209336 626863869 /nfs/dbraw/zinc/86/38/69/626863869.db2.gz SVIPZCFNJJMENV-ZHACJKMWSA-N 0 0 319.338 3.283 10 5 DGBERN Cc1ccc(OC(=O)COCc2ccccc2)c([N+](=O)[O-])c1 ZINC000072648971 660210938 /nfs/dbraw/zinc/21/09/38/660210938.db2.gz HKJIQBAQAVJWIG-UHFFFAOYSA-N 0 0 301.298 3.025 10 5 DGBERN COC(C)(C)CCOC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000230421088 659329706 /nfs/dbraw/zinc/32/97/06/659329706.db2.gz IIUMRIPDJHQDDS-UHFFFAOYSA-N 0 0 301.726 3.220 10 5 DGBERN COc1ccc2nc(C(=O)Oc3cccc([N+](=O)[O-])c3)ccc2c1 ZINC000073696736 660481701 /nfs/dbraw/zinc/48/17/01/660481701.db2.gz XKFUNNRHPGCORJ-UHFFFAOYSA-N 0 0 324.292 3.371 10 5 DGBERN O=C(NCCC1(F)CCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000702498555 660727241 /nfs/dbraw/zinc/72/72/41/660727241.db2.gz LCAPLEXYRPOMDV-UHFFFAOYSA-N 0 0 300.717 3.260 10 5 DGBERN CC(C)(C)[S@@](C)(=O)=NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000710155210 660932200 /nfs/dbraw/zinc/93/22/00/660932200.db2.gz QQDDWOBPTJPFFQ-HXUWFJFHSA-N 0 0 318.782 3.285 10 5 DGBERN C[C@H](OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CCC1 ZINC000083149187 655585149 /nfs/dbraw/zinc/58/51/49/655585149.db2.gz DYPBPEDVVVHSJJ-NSHDSACASA-N 0 0 315.329 3.126 10 5 DGBERN Cc1ccc([C@H](C)OC(=O)c2cc(C3CC3)[nH]n2)cc1[N+](=O)[O-] ZINC000177617671 655602652 /nfs/dbraw/zinc/60/26/52/655602652.db2.gz OJVNZVSVHWQVQC-JTQLQIEISA-N 0 0 315.329 3.422 10 5 DGBERN Cc1cnn(CCC(=O)O[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000176937256 655872817 /nfs/dbraw/zinc/87/28/17/655872817.db2.gz RPPISULRLIVUAK-CYBMUJFWSA-N 0 0 317.345 3.103 10 5 DGBERN CC[C@H](NC(=O)[C@@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000177797968 655947264 /nfs/dbraw/zinc/94/72/64/655947264.db2.gz HANJRGFBOLGKCM-QWRGUYRKSA-N 0 0 317.172 3.356 10 5 DGBERN CC(C)COC1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000054328555 657840295 /nfs/dbraw/zinc/84/02/95/657840295.db2.gz PRPSVCJGKRCQRT-UHFFFAOYSA-N 0 0 310.369 3.371 10 5 DGBERN C[C@@H](OC(=O)c1n[nH]c2c1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000098161204 657972659 /nfs/dbraw/zinc/97/26/59/657972659.db2.gz GZKNNANNKZFQCM-SNVBAGLBSA-N 0 0 315.329 3.115 10 5 DGBERN CSc1ccc(OC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000007791905 658028782 /nfs/dbraw/zinc/02/87/82/658028782.db2.gz AKIOSEACLHUZMS-UHFFFAOYSA-N 0 0 319.338 3.301 10 5 DGBERN CC1(CNc2nc3sccn3c2[N+](=O)[O-])CC(F)(F)C1 ZINC000720996005 658311280 /nfs/dbraw/zinc/31/12/80/658311280.db2.gz HMTHHPZKVXRXGS-UHFFFAOYSA-N 0 0 302.306 3.151 10 5 DGBERN O=[N+]([O-])c1c(F)cccc1N1CCS[C@H](C(F)(F)F)C1 ZINC000721425003 658732393 /nfs/dbraw/zinc/73/23/93/658732393.db2.gz CVWKHGMGIHAVKH-VIFPVBQESA-N 0 0 310.272 3.218 10 5 DGBERN CSCCCCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000229226312 659246709 /nfs/dbraw/zinc/24/67/09/659246709.db2.gz NFHNKAXXWNCETL-UHFFFAOYSA-N 0 0 302.783 3.121 10 5 DGBERN CC(C)[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000172579772 659345988 /nfs/dbraw/zinc/34/59/88/659345988.db2.gz GMODPSILGHOBON-ZDUSSCGKSA-N 0 0 319.405 3.217 10 5 DGBERN CSc1ccc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000195320772 659911450 /nfs/dbraw/zinc/91/14/50/659911450.db2.gz ATIAZVOCLLBWRZ-UHFFFAOYSA-N 0 0 320.345 3.386 10 5 DGBERN C[C@@H](OC(=O)[C@@H]1CSCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000175141778 659916417 /nfs/dbraw/zinc/91/64/17/659916417.db2.gz VKHNJHLVVUPFRW-SKDRFNHKSA-N 0 0 313.400 3.048 10 5 DGBERN CC(C)n1cccc1C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000156250142 661860665 /nfs/dbraw/zinc/86/06/65/661860665.db2.gz JHAWUJMUNLNTJP-UHFFFAOYSA-N 0 0 302.330 3.377 10 5 DGBERN COc1ccc(CC(=O)O[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000047176076 661872913 /nfs/dbraw/zinc/87/29/13/661872913.db2.gz UDWCNQPQBPTRMX-GFCCVEGCSA-N 0 0 315.325 3.450 10 5 DGBERN Cc1cccc(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000047338614 661875212 /nfs/dbraw/zinc/87/52/12/661875212.db2.gz CVXCRSBYQLCDGE-UHFFFAOYSA-N 0 0 320.736 3.273 10 5 DGBERN CCOc1ncccc1C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000074719144 661902693 /nfs/dbraw/zinc/90/26/93/661902693.db2.gz ZUWJLIHOMFIJMU-NSHDSACASA-N 0 0 316.313 3.307 10 5 DGBERN CCC[C@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000077942293 662047609 /nfs/dbraw/zinc/04/76/09/662047609.db2.gz DWDYQGSUZWNHRE-HNNXBMFYSA-N 0 0 317.345 3.266 10 5 DGBERN Cc1ccc(Cl)c(OC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000194746586 662172479 /nfs/dbraw/zinc/17/24/79/662172479.db2.gz MSCNYTVXASEYIH-UHFFFAOYSA-N 0 0 306.705 3.479 10 5 DGBERN C[C@@H]1CC[C@@H](C)N(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000088713344 662233958 /nfs/dbraw/zinc/23/39/58/662233958.db2.gz LTPJYNIJZXVXTJ-RKDXNWHRSA-N 0 0 311.769 3.091 10 5 DGBERN COc1cccc(C(=O)OCc2cccc([N+](=O)[O-])c2)c1F ZINC000090497540 662264854 /nfs/dbraw/zinc/26/48/54/662264854.db2.gz HJNFDOWDKYKEIK-UHFFFAOYSA-N 0 0 305.261 3.100 10 5 DGBERN C[C@H](OC(=O)CSCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000090516858 662265765 /nfs/dbraw/zinc/26/57/65/662265765.db2.gz DXNNQNWFZAMZGC-QMMMGPOBSA-N 0 0 323.292 3.495 10 5 DGBERN O=[N+]([O-])c1ccc(NCc2ccc(Br)cn2)cc1 ZINC000070396079 1195865943 /nfs/dbraw/zinc/86/59/43/1195865943.db2.gz CXYQTUHFOAIUQV-UHFFFAOYSA-N 0 0 308.135 3.364 10 5 DGBERN Cc1c(NC(=O)c2ccc(Cl)cc2N)cccc1[N+](=O)[O-] ZINC000062822564 1195268567 /nfs/dbraw/zinc/26/85/67/1195268567.db2.gz QNQXSAYVNSNJON-UHFFFAOYSA-N 0 0 305.721 3.391 10 5 DGBERN Cc1cc(NCc2ccnc(OCC3CC3)c2)ncc1[N+](=O)[O-] ZINC000074749932 1196302314 /nfs/dbraw/zinc/30/23/14/1196302314.db2.gz QILVPAPYOUPFJO-UHFFFAOYSA-N 0 0 314.345 3.094 10 5 DGBERN O=C(NCC=C(Cl)Cl)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000407146743 1199637213 /nfs/dbraw/zinc/63/72/13/1199637213.db2.gz YUYOJOWWDKRZNP-UHFFFAOYSA-N 0 0 309.536 3.297 10 5 DGBERN C[C@@H](Cc1ccco1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000160391434 1202623493 /nfs/dbraw/zinc/62/34/93/1202623493.db2.gz DLRHUTFAPGKRLA-VIFPVBQESA-N 0 0 308.721 3.202 10 5 DGBERN C[C@H](Cc1ccsc1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000175110971 1203917715 /nfs/dbraw/zinc/91/77/15/1203917715.db2.gz XYNXOXDQAGQPLA-GFCCVEGCSA-N 0 0 318.398 3.288 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C)cs1 ZINC000588435754 1082267425 /nfs/dbraw/zinc/26/74/25/1082267425.db2.gz FWAHGXLIEJDVLZ-CLFYSBASSA-N 0 0 303.343 3.402 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCCc1cccnc1 ZINC000588447465 1082315548 /nfs/dbraw/zinc/31/55/48/1082315548.db2.gz DZOPKMYSEJXQIQ-ACCUITESSA-N 0 0 312.325 3.179 10 5 DGBERN Cc1cccnc1/C=C\C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000588453946 1082331404 /nfs/dbraw/zinc/33/14/04/1082331404.db2.gz HZALKOKNSPCPIZ-KTKRTIGZSA-N 0 0 323.352 3.291 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC1(C)CCOCC1 ZINC000588510538 1082519163 /nfs/dbraw/zinc/51/91/63/1082519163.db2.gz DLEFDBQVUNJGIL-QBFSEMIESA-N 0 0 319.357 3.358 10 5 DGBERN Cc1cc(NC(=O)C=Cc2ccco2)c2cc([N+](=O)[O-])ccc2n1 ZINC000588468794 1087456389 /nfs/dbraw/zinc/45/63/89/1087456389.db2.gz OMXXIKXYULPFEA-ALCCZGGFSA-N 0 0 323.308 3.118 10 5 DGBERN Cc1sc(C(=O)N[C@@H](C)CNc2ccccc2)cc1[N+](=O)[O-] ZINC000162081524 197542732 /nfs/dbraw/zinc/54/27/32/197542732.db2.gz BRWMSBITQAQHHR-JTQLQIEISA-N 0 0 319.386 3.195 10 5 DGBERN CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CCS1 ZINC000301695135 529401851 /nfs/dbraw/zinc/40/18/51/529401851.db2.gz PFYYIHSWNPNEKL-GFCCVEGCSA-N 0 0 324.402 3.022 10 5 DGBERN CC[C@H](NC(=O)NCCCCCOC)c1cccc([N+](=O)[O-])c1 ZINC000090553511 185302922 /nfs/dbraw/zinc/30/29/22/185302922.db2.gz PPVDAERPAJAKKJ-HNNXBMFYSA-N 0 0 323.393 3.162 10 5 DGBERN CC[C@H](NC(=O)N(CC)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090685903 185309645 /nfs/dbraw/zinc/30/96/45/185309645.db2.gz JZSFGFPEWWKRRV-HNNXBMFYSA-N 0 0 305.378 3.487 10 5 DGBERN CC[C@@H](NCc1nnc(C(C)C)n1C)c1cccc([N+](=O)[O-])c1 ZINC000181557466 199316681 /nfs/dbraw/zinc/31/66/81/199316681.db2.gz CSOOGVULQMRBAQ-CQSZACIVSA-N 0 0 317.393 3.088 10 5 DGBERN O=[N+]([O-])c1cc(Cl)c(NC[C@@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000226742423 201783910 /nfs/dbraw/zinc/78/39/10/201783910.db2.gz LHTBGLJXLFBJKE-CPCISQLKSA-N 0 0 305.161 3.475 10 5 DGBERN Cc1sc(C(=O)NCCCNc2ccccc2)cc1[N+](=O)[O-] ZINC000068509406 190770956 /nfs/dbraw/zinc/77/09/56/190770956.db2.gz QHJWEQGRUALDAX-UHFFFAOYSA-N 0 0 319.386 3.197 10 5 DGBERN C[C@@H](CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[S@@](C)=O ZINC000130317054 432020940 /nfs/dbraw/zinc/02/09/40/432020940.db2.gz PHQSPDWIIBLZLR-PPRQPISWSA-N 0 0 324.324 3.183 10 5 DGBERN O=[N+]([O-])c1cc(CN2CCO[C@@H](c3cccc(F)c3)C2)cs1 ZINC000066847837 432023155 /nfs/dbraw/zinc/02/31/55/432023155.db2.gz YKAPJQOZPDWVAW-CQSZACIVSA-N 0 0 322.361 3.369 10 5 DGBERN Cn1cc([C@@H]2CCCN2Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000172178711 198052998 /nfs/dbraw/zinc/05/29/98/198052998.db2.gz SHXZAUGIXHURCO-HNNXBMFYSA-N 0 0 320.780 3.319 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000175074384 198423463 /nfs/dbraw/zinc/42/34/63/198423463.db2.gz OOHMAQODUAMRSU-LBPRGKRZSA-N 0 0 315.377 3.045 10 5 DGBERN Cc1nc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000179161200 432047519 /nfs/dbraw/zinc/04/75/19/432047519.db2.gz JVWYBXFRJFOZST-MRVPVSSYSA-N 0 0 305.359 3.159 10 5 DGBERN C[C@H]1CCCC[C@H]1NC(=O)CSc1ccsc1[N+](=O)[O-] ZINC000005069063 181200468 /nfs/dbraw/zinc/20/04/68/181200468.db2.gz GOXXTTXECSQNOQ-VHSXEESVSA-N 0 0 314.432 3.443 10 5 DGBERN CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 ZINC000005591421 181261283 /nfs/dbraw/zinc/26/12/83/181261283.db2.gz TWWKZWJTPVYGPE-SSDOTTSWSA-N 0 0 315.713 3.075 10 5 DGBERN CCc1noc(C)c1NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000179432061 432058371 /nfs/dbraw/zinc/05/83/71/432058371.db2.gz WRCCIZNYRWSQIK-VIFPVBQESA-N 0 0 318.333 3.336 10 5 DGBERN CCCCO[C@H](C)C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000177804552 198780065 /nfs/dbraw/zinc/78/00/65/198780065.db2.gz KSYCDHCWKMEFJC-IUODEOHRSA-N 0 0 308.378 3.367 10 5 DGBERN CCc1onc(C)c1NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000185212202 199825055 /nfs/dbraw/zinc/82/50/55/199825055.db2.gz HRVVBMPSLWKPEE-MDZDMXLPSA-N 0 0 315.329 3.496 10 5 DGBERN COc1ccc(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000006202840 181318898 /nfs/dbraw/zinc/31/88/98/181318898.db2.gz LRBDRBVFFCGMPH-UHFFFAOYSA-N 0 0 314.341 3.483 10 5 DGBERN O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000435743227 238344303 /nfs/dbraw/zinc/34/43/03/238344303.db2.gz ZRLDSYWLYBUGBH-UMSPYCQHSA-N 0 0 319.748 3.252 10 5 DGBERN C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000054645709 283616098 /nfs/dbraw/zinc/61/60/98/283616098.db2.gz YLMHKFUMKIITGO-LLVKDONJSA-N 0 0 319.386 3.259 10 5 DGBERN CN(CCc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000056501893 283630379 /nfs/dbraw/zinc/63/03/79/283630379.db2.gz JNNOMADVHUDAQG-UHFFFAOYSA-N 0 0 317.320 3.440 10 5 DGBERN Cc1csc([C@@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000444678337 239320756 /nfs/dbraw/zinc/32/07/56/239320756.db2.gz WGUCJFKFRVXQAY-SECBINFHSA-N 0 0 317.374 3.087 10 5 DGBERN C[C@H]1[C@H](C(F)(F)F)CCN1c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000480562975 291298434 /nfs/dbraw/zinc/29/84/34/291298434.db2.gz KOMPILOPGCNFIN-WCBMZHEXSA-N 0 0 315.295 3.340 10 5 DGBERN CCc1cc(C)c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000135148106 432102520 /nfs/dbraw/zinc/10/25/20/432102520.db2.gz NBLPUGUYAKULDT-UHFFFAOYSA-N 0 0 302.330 3.031 10 5 DGBERN CC[C@H](CSC)N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000091148666 193004083 /nfs/dbraw/zinc/00/40/83/193004083.db2.gz YAZCIBWMBMVTGT-SNVBAGLBSA-N 0 0 321.402 3.290 10 5 DGBERN C[C@@H](C1CC1)n1nccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000251980793 202831218 /nfs/dbraw/zinc/83/12/18/202831218.db2.gz FSSQUGPNOJGEAA-QMMMGPOBSA-N 0 0 306.347 3.076 10 5 DGBERN CC1(C)CCCC[C@@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000469172352 244087201 /nfs/dbraw/zinc/08/72/01/244087201.db2.gz YTFXYVIDEOXSRG-OAHLLOKOSA-N 0 0 304.390 3.470 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1F ZINC000119534175 284145059 /nfs/dbraw/zinc/14/50/59/284145059.db2.gz POFIAAWKZSOBIF-SNVBAGLBSA-N 0 0 317.320 3.237 10 5 DGBERN Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](C)C2 ZINC000181243568 432120576 /nfs/dbraw/zinc/12/05/76/432120576.db2.gz KZMKVLWHMRXHGD-DJJJIMSYSA-N 0 0 324.380 3.495 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2ccc(F)cc2C1 ZINC000121617621 284202089 /nfs/dbraw/zinc/20/20/89/284202089.db2.gz SGIBFRQSCUYIHD-UHFFFAOYSA-N 0 0 314.316 3.241 10 5 DGBERN O=[N+]([O-])c1ccc(CN2CCC=C(Br)C2)cc1F ZINC000282411971 216974265 /nfs/dbraw/zinc/97/42/65/216974265.db2.gz GACZUWNUEMVEPJ-UHFFFAOYSA-N 0 0 315.142 3.218 10 5 DGBERN Cn1c(=O)ccc2ccc(NCc3ccccc3[N+](=O)[O-])cc21 ZINC000487217892 245036129 /nfs/dbraw/zinc/03/61/29/245036129.db2.gz TZUSHIRMDIJOTF-UHFFFAOYSA-N 0 0 309.325 3.059 10 5 DGBERN C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H](C)O1 ZINC000126980917 284323209 /nfs/dbraw/zinc/32/32/09/284323209.db2.gz HTLOUZXRWQHCPB-CHWSQXEVSA-N 0 0 316.357 3.464 10 5 DGBERN Cc1ccc(CN(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000136097775 432145600 /nfs/dbraw/zinc/14/56/00/432145600.db2.gz QJQOUMVIXRZFER-UHFFFAOYSA-N 0 0 308.721 3.422 10 5 DGBERN COc1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1F ZINC000040350750 183055378 /nfs/dbraw/zinc/05/53/78/183055378.db2.gz TVEOHHXYKAQAGD-UHFFFAOYSA-N 0 0 315.260 3.460 10 5 DGBERN CCNc1ncnc(Nc2cccc3cccnc32)c1[N+](=O)[O-] ZINC000040596237 183106934 /nfs/dbraw/zinc/10/69/34/183106934.db2.gz RHQJSPQVXOSJIX-UHFFFAOYSA-N 0 0 310.317 3.108 10 5 DGBERN CCCNc1ncnc(Nc2ccc(C(C)=O)cc2)c1[N+](=O)[O-] ZINC000040596962 183107236 /nfs/dbraw/zinc/10/72/36/183107236.db2.gz AFCSWYYOULTTSA-UHFFFAOYSA-N 0 0 315.333 3.153 10 5 DGBERN Nc1ccccc1Sc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000057341276 184033938 /nfs/dbraw/zinc/03/39/38/184033938.db2.gz ZJDAXOAHXGXITC-UHFFFAOYSA-N 0 0 314.322 3.435 10 5 DGBERN CCn1c(C)cc(C(=O)COc2ccc([N+](=O)[O-])cc2F)c1C ZINC000059012159 184134012 /nfs/dbraw/zinc/13/40/12/184134012.db2.gz MAWLKLYHBCHTLX-UHFFFAOYSA-N 0 0 320.320 3.434 10 5 DGBERN O=[N+]([O-])c1ccc(CN[C@@H](CO)c2ccccc2)c(Cl)c1 ZINC000063001910 184265391 /nfs/dbraw/zinc/26/53/91/184265391.db2.gz KHHBEELOMIIDCO-HNNXBMFYSA-N 0 0 306.749 3.071 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCCC[C@@H]2CC(C)C)n1 ZINC000191630684 252755631 /nfs/dbraw/zinc/75/56/31/252755631.db2.gz DRHAKBPTNYWGIV-CYBMUJFWSA-N 0 0 322.409 3.242 10 5 DGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@@H]1CCCC[C@@H]1O ZINC000052007364 285085870 /nfs/dbraw/zinc/08/58/70/285085870.db2.gz GXCRZRZENXLSNT-PWSUYJOCSA-N 0 0 304.268 3.329 10 5 DGBERN CO[C@@H](CNc1cc(CO)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000302039912 533372240 /nfs/dbraw/zinc/37/22/40/533372240.db2.gz NIHKVRMMWNTYHS-INIZCTEOSA-N 0 0 320.320 3.026 10 5 DGBERN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1noc(C2CC2)n1 ZINC000449296353 533408858 /nfs/dbraw/zinc/40/88/58/533408858.db2.gz AVEPAKMHAWPGDS-YRNVUSSQSA-N 0 0 314.345 3.048 10 5 DGBERN O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@H](C(F)F)C1 ZINC000588040796 400182986 /nfs/dbraw/zinc/18/29/86/400182986.db2.gz PZKLZSIYHKLCLI-SSDOTTSWSA-N 0 0 321.121 3.449 10 5 DGBERN O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403323090 400294209 /nfs/dbraw/zinc/29/42/09/400294209.db2.gz AMJXLRLKJUHRMP-NQMVMOMDSA-N 0 0 312.167 3.353 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1CC12CCCC2 ZINC000610471652 400261017 /nfs/dbraw/zinc/26/10/17/400261017.db2.gz QNXJEQCFGDQPQW-RISCZKNCSA-N 0 0 300.358 3.453 10 5 DGBERN CC(C)Cn1nnnc1S[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000030398405 400327166 /nfs/dbraw/zinc/32/71/66/400327166.db2.gz CKMCOCOHPZOMRG-SNVBAGLBSA-N 0 0 307.379 3.091 10 5 DGBERN CN(Cc1cn(C)nc1C(F)(F)F)c1ccsc1[N+](=O)[O-] ZINC000611001614 400337061 /nfs/dbraw/zinc/33/70/61/400337061.db2.gz BVFYKHWSSYFTEW-UHFFFAOYSA-N 0 0 320.296 3.045 10 5 DGBERN CCCn1nccc1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000031771003 400354285 /nfs/dbraw/zinc/35/42/85/400354285.db2.gz DFNQVWXJXPIIHT-UHFFFAOYSA-N 0 0 320.374 3.176 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000110440987 400356513 /nfs/dbraw/zinc/35/65/13/400356513.db2.gz SUHKEIYEAPXFNN-RHSMWYFYSA-N 0 0 310.353 3.437 10 5 DGBERN CCOc1cc(C(=O)N[C@H](C)C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000112250558 400372700 /nfs/dbraw/zinc/37/27/00/400372700.db2.gz CXGRVZIQGYEION-SNVBAGLBSA-N 0 0 324.377 3.167 10 5 DGBERN O=[N+]([O-])c1cccc([C@H](NCc2cocn2)c2ccccc2)c1 ZINC000611521242 400415544 /nfs/dbraw/zinc/41/55/44/400415544.db2.gz XJZOHZOSCJROFX-QGZVFWFLSA-N 0 0 309.325 3.462 10 5 DGBERN COC(=O)c1c(OC)cccc1Oc1ccccc1[N+](=O)[O-] ZINC000115905692 400402441 /nfs/dbraw/zinc/40/24/41/400402441.db2.gz ZLYNZVMQYIICOA-UHFFFAOYSA-N 0 0 303.270 3.182 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(OC(C)(C)C)CC2)n1 ZINC000611617128 400429137 /nfs/dbraw/zinc/42/91/37/400429137.db2.gz IAMZSXVFCOGNMU-UHFFFAOYSA-N 0 0 307.394 3.391 10 5 DGBERN C/C(=C\c1nc(C[C@@H]2CCCO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000612002962 400472395 /nfs/dbraw/zinc/47/23/95/400472395.db2.gz UGHYPNWXFNNARF-MARXPDLDSA-N 0 0 315.329 3.260 10 5 DGBERN COc1cc(NCC[C@@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000612104529 400493325 /nfs/dbraw/zinc/49/33/25/400493325.db2.gz YBZYFXBDAMXHTM-WDEREUQCSA-N 0 0 312.341 3.360 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(Cl)cn1 ZINC000129276468 400524049 /nfs/dbraw/zinc/52/40/49/400524049.db2.gz CZIJDZCCZVIVGA-VIFPVBQESA-N 0 0 317.732 3.235 10 5 DGBERN CCCn1nccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000129382781 400525235 /nfs/dbraw/zinc/52/52/35/400525235.db2.gz LXMPZPYKDVGPLR-UHFFFAOYSA-N 0 0 308.725 3.107 10 5 DGBERN COC(=O)c1ccc2oc3ccc(SC)cc3c(=O)c2c1 ZINC000139014826 400602443 /nfs/dbraw/zinc/60/24/43/400602443.db2.gz CZZXLQFWABGOHG-UHFFFAOYSA-N 0 0 300.335 3.455 10 5 DGBERN CC[C@@H]([C@@H](C)CC(=O)Nc1ccc(C#N)c(Cl)c1)[N+](=O)[O-] ZINC000150253051 400665007 /nfs/dbraw/zinc/66/50/07/400665007.db2.gz QGNJSFFGLQZFJK-ZANVPECISA-N 0 0 309.753 3.232 10 5 DGBERN CCOC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Br ZINC000162714895 400745297 /nfs/dbraw/zinc/74/52/97/400745297.db2.gz LRCVERFTBGYAHH-UHFFFAOYSA-N 0 0 308.515 3.187 10 5 DGBERN CCOc1ccc2c(c1)[C@@H](Nc1ccc([N+](=O)[O-])nc1)CCO2 ZINC000613898703 400809750 /nfs/dbraw/zinc/80/97/50/400809750.db2.gz DUAYHQSMUZUOJQ-AWEZNQCLSA-N 0 0 315.329 3.324 10 5 DGBERN CC(C)(C(=O)NCc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000172067043 400813119 /nfs/dbraw/zinc/81/31/19/400813119.db2.gz ZMBQHXUSEJMNKZ-UHFFFAOYSA-N 0 0 304.371 3.250 10 5 DGBERN CC(C)(C)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000232493728 400971752 /nfs/dbraw/zinc/97/17/52/400971752.db2.gz RMKUKICCQMNMLH-UHFFFAOYSA-N 0 0 320.130 3.410 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000246489348 401030297 /nfs/dbraw/zinc/03/02/97/401030297.db2.gz IHTHQIFZGHGDNA-ADDUCUOXSA-N 0 0 300.358 3.309 10 5 DGBERN CC(C)(C)[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1cccs1 ZINC000085706740 401172976 /nfs/dbraw/zinc/17/29/76/401172976.db2.gz FPCGRDNVYOAATG-SNVBAGLBSA-N 0 0 307.379 3.228 10 5 DGBERN Cc1sccc1CC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000360514915 286492759 /nfs/dbraw/zinc/49/27/59/286492759.db2.gz LBEGBYJRGAFIHD-UHFFFAOYSA-N 0 0 304.371 3.132 10 5 DGBERN Cc1cnc(COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc1 ZINC000361012251 286576360 /nfs/dbraw/zinc/57/63/60/286576360.db2.gz GBFZWODKHNNDET-UHFFFAOYSA-N 0 0 313.235 3.291 10 5 DGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000361073779 286591078 /nfs/dbraw/zinc/59/10/78/286591078.db2.gz MRUUUVDAVKLUPH-KBPBESRZSA-N 0 0 318.373 3.050 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1F ZINC000181182354 164905861 /nfs/dbraw/zinc/90/58/61/164905861.db2.gz RLDDVZQFLCUARR-JTQLQIEISA-N 0 0 317.320 3.116 10 5 DGBERN CC(=O)c1ccc(OCc2ccc(C)nc2C)c([N+](=O)[O-])c1 ZINC000185391654 165003291 /nfs/dbraw/zinc/00/32/91/165003291.db2.gz NJLWEFBPNXTKGZ-UHFFFAOYSA-N 0 0 300.314 3.388 10 5 DGBERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000187095022 165077105 /nfs/dbraw/zinc/07/71/05/165077105.db2.gz VUNSLUYWZLCKLB-AWEZNQCLSA-N 0 0 317.370 3.337 10 5 DGBERN C[C@H](Sc1nccn2ccnc12)c1cccc([N+](=O)[O-])c1 ZINC000187610787 165097303 /nfs/dbraw/zinc/09/73/03/165097303.db2.gz OGMWIOVYRLEBCY-JTQLQIEISA-N 0 0 300.343 3.491 10 5 DGBERN Cc1nc(CC(C)C)oc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000188591215 165128385 /nfs/dbraw/zinc/12/83/85/165128385.db2.gz YQZGMKUDZVGEEB-UHFFFAOYSA-N 0 0 317.345 3.020 10 5 DGBERN O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(C2CC2)cc1 ZINC000191176446 165233657 /nfs/dbraw/zinc/23/36/57/165233657.db2.gz DGNLQHLWOVMZNW-UHFFFAOYSA-N 0 0 310.353 3.331 10 5 DGBERN O=C(NCc1ccc(C2CC2)cc1)Nc1ccncc1[N+](=O)[O-] ZINC000192386487 165290818 /nfs/dbraw/zinc/29/08/18/165290818.db2.gz CBXVTWXSOBETGR-UHFFFAOYSA-N 0 0 312.329 3.189 10 5 DGBERN C[C@@H](Nc1ncc([N+](=O)[O-])s1)c1ccccc1-n1cccn1 ZINC000192489446 165292369 /nfs/dbraw/zinc/29/23/69/165292369.db2.gz NIHNLHHEQSNVOB-SNVBAGLBSA-N 0 0 315.358 3.410 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCOc2ccccc21 ZINC000194787151 165355272 /nfs/dbraw/zinc/35/52/72/165355272.db2.gz IWKUPXVIAWWSKE-HNNXBMFYSA-N 0 0 312.325 3.157 10 5 DGBERN Cc1csc(C2CCN(c3ncc([N+](=O)[O-])s3)CC2)n1 ZINC000195512122 165371635 /nfs/dbraw/zinc/37/16/35/165371635.db2.gz WBWMJQZUDAYYQE-UHFFFAOYSA-N 0 0 310.404 3.200 10 5 DGBERN C[C@@]1(Nc2ccc(Br)cc2[N+](=O)[O-])CCCOC1 ZINC000221179273 165380098 /nfs/dbraw/zinc/38/00/98/165380098.db2.gz ACTAHDJQQZWOQG-GFCCVEGCSA-N 0 0 315.167 3.338 10 5 DGBERN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nccs2)C1 ZINC000171644856 432154507 /nfs/dbraw/zinc/15/45/07/432154507.db2.gz ZPHOPURTGLWEMN-LLVKDONJSA-N 0 0 317.370 3.071 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000171646447 432156244 /nfs/dbraw/zinc/15/62/44/432156244.db2.gz KWYNFHNKJCHRGY-GFCCVEGCSA-N 0 0 317.370 3.071 10 5 DGBERN CC[C@@H](NC(=O)N1CC[C@@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000131559372 196180185 /nfs/dbraw/zinc/18/01/85/196180185.db2.gz RILNAUFLXBSRRI-IUODEOHRSA-N 0 0 305.378 3.487 10 5 DGBERN C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C1CCCC1 ZINC000172145896 228274916 /nfs/dbraw/zinc/27/49/16/228274916.db2.gz KLQASJNNTQMKLW-SNVBAGLBSA-N 0 0 303.362 3.470 10 5 DGBERN Cc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)n1 ZINC000176513534 228314422 /nfs/dbraw/zinc/31/44/22/228314422.db2.gz LTSVCBRPJBBKJB-UHFFFAOYSA-N 0 0 310.313 3.340 10 5 DGBERN C[C@H](CNc1cc(CO)ccc1[N+](=O)[O-])Cc1cccs1 ZINC000302018116 230039083 /nfs/dbraw/zinc/03/90/83/230039083.db2.gz DALHTKHYROJZKO-NSHDSACASA-N 0 0 306.387 3.439 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCC(c3noc(C4CC4)n3)CC2)cc1 ZINC000302151496 230128461 /nfs/dbraw/zinc/12/84/61/230128461.db2.gz BWXYJCUNGSSRPO-UHFFFAOYSA-N 0 0 314.345 3.239 10 5 DGBERN O=[N+]([O-])c1cnc2ccc(NCc3ccc(C(F)F)cc3)nn21 ZINC000302184984 230147827 /nfs/dbraw/zinc/14/78/27/230147827.db2.gz TUTRDNXTPPENEJ-UHFFFAOYSA-N 0 0 319.271 3.187 10 5 DGBERN Cc1nc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c(C)s1 ZINC000179257133 263554025 /nfs/dbraw/zinc/55/40/25/263554025.db2.gz GQLXWDOMSAHUIU-QMMMGPOBSA-N 0 0 317.370 3.260 10 5 DGBERN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1)C1CC1 ZINC000182281094 263590810 /nfs/dbraw/zinc/59/08/10/263590810.db2.gz NHWQETJQQROWTM-SSDOTTSWSA-N 0 0 313.151 3.342 10 5 DGBERN CC(C)[C@H]1C[C@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000185835738 263644824 /nfs/dbraw/zinc/64/48/24/263644824.db2.gz YFYDYQXBIGKVML-HZPDHXFCSA-N 0 0 302.374 3.378 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)CCCO2 ZINC000195411764 263830778 /nfs/dbraw/zinc/83/07/78/263830778.db2.gz GYEPBINOPVVYER-UHFFFAOYSA-N 0 0 312.325 3.481 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCc2ccc(F)cc2)c1 ZINC000172876741 432242351 /nfs/dbraw/zinc/24/23/51/432242351.db2.gz PZYRYCPLIVPONG-UHFFFAOYSA-N 0 0 316.332 3.357 10 5 DGBERN COc1cc(Br)c([N+](=O)[O-])cc1Br ZINC000409416880 277795356 /nfs/dbraw/zinc/79/53/56/277795356.db2.gz RZFFKWMLIIIPCA-UHFFFAOYSA-N 0 0 310.929 3.128 10 5 DGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccco1 ZINC000173047816 432254750 /nfs/dbraw/zinc/25/47/50/432254750.db2.gz MMCFPKGXXDPYGH-CQSZACIVSA-N 0 0 300.314 3.094 10 5 DGBERN CN(C)c1ccc(Nc2nc3ccccc3cc2[N+](=O)[O-])cn1 ZINC000473508968 429714594 /nfs/dbraw/zinc/71/45/94/429714594.db2.gz NIDXIFYTWWXDGR-UHFFFAOYSA-N 0 0 309.329 3.348 10 5 DGBERN CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000175202252 276727751 /nfs/dbraw/zinc/72/77/51/276727751.db2.gz OTOHWSWGTKRAGM-UHFFFAOYSA-N 0 0 305.378 3.111 10 5 DGBERN CC(=O)c1ccc(N2CC[C@H](C(C)(C)C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000272569654 277111871 /nfs/dbraw/zinc/11/18/71/277111871.db2.gz SWZBWTCITOYJJN-BBRMVZONSA-N 0 0 320.389 3.031 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c1 ZINC000301659335 277380078 /nfs/dbraw/zinc/38/00/78/277380078.db2.gz MDCYTVVTCQUQEJ-QKCSRTOESA-N 0 0 310.325 3.112 10 5 DGBERN COc1cc(N2CCC3(CCOCC3)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000408198520 277824864 /nfs/dbraw/zinc/82/48/64/277824864.db2.gz NBUKUHOZFQACEQ-NSHDSACASA-N 0 0 324.352 3.138 10 5 DGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCC1=O ZINC000276482892 278803441 /nfs/dbraw/zinc/80/34/41/278803441.db2.gz OPXXCACIIOTZHS-MRVPVSSYSA-N 0 0 302.252 3.029 10 5 DGBERN CCCNC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000004660604 278839327 /nfs/dbraw/zinc/83/93/27/278839327.db2.gz HQLUVOLJQSUDKZ-UHFFFAOYSA-N 0 0 305.378 3.115 10 5 DGBERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078148925 279138022 /nfs/dbraw/zinc/13/80/22/279138022.db2.gz POXPAIZLMVXWEZ-DIFFPNOSSA-N 0 0 324.336 3.049 10 5 DGBERN O=C(N[C@@H]1COc2ccccc21)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000195011688 279929772 /nfs/dbraw/zinc/92/97/72/279929772.db2.gz LZGJRNXDKBYWLG-GFCCVEGCSA-N 0 0 318.716 3.112 10 5 DGBERN CS[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000117224896 431554742 /nfs/dbraw/zinc/55/47/42/431554742.db2.gz XTVLUYWJMUSOMY-WCQYABFASA-N 0 0 308.403 3.307 10 5 DGBERN CCS[C@H]1CCCCN(c2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000301984386 280056327 /nfs/dbraw/zinc/05/63/27/280056327.db2.gz BBSNHQSVBSJBRA-ZDUSSCGKSA-N 0 0 310.419 3.199 10 5 DGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1(C)C ZINC000077354259 431583635 /nfs/dbraw/zinc/58/36/35/431583635.db2.gz VUDAMUQTRAEMBD-LLVKDONJSA-N 0 0 308.403 3.476 10 5 DGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCO[C@H]2CCCC[C@H]21 ZINC000118941534 431627203 /nfs/dbraw/zinc/62/72/03/431627203.db2.gz SRCVHSOAQSJNBT-KGLIPLIRSA-N 0 0 324.764 3.032 10 5 DGBERN CC(C)(C)[C@H](O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000078670134 431693677 /nfs/dbraw/zinc/69/36/77/431693677.db2.gz BRHAJEYWWBRANH-LLVKDONJSA-N 0 0 306.284 3.433 10 5 DGBERN CC(C)c1csc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)n1 ZINC000079716429 431743123 /nfs/dbraw/zinc/74/31/23/431743123.db2.gz LTDKUKDQTQDOIX-UHFFFAOYSA-N 0 0 324.337 3.148 10 5 DGBERN Cc1ccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000079754027 431745728 /nfs/dbraw/zinc/74/57/28/431745728.db2.gz LDXODQZSZQGZJY-UHFFFAOYSA-N 0 0 313.357 3.272 10 5 DGBERN C[C@H]1CC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000121289188 431767331 /nfs/dbraw/zinc/76/73/31/431767331.db2.gz QSRIZSKEIQCQKB-RYUDHWBXSA-N 0 0 313.357 3.404 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)NCc2ccccc2[N+](=O)[O-])o1 ZINC000043720495 431870254 /nfs/dbraw/zinc/87/02/54/431870254.db2.gz IQAFNODCZRPPQQ-LLVKDONJSA-N 0 0 303.318 3.057 10 5 DGBERN O=[N+]([O-])c1cccc(CN2CCO[C@H](c3ccsc3)C2)c1 ZINC000125419539 431924503 /nfs/dbraw/zinc/92/45/03/431924503.db2.gz SMHQOOPWFRUWFT-HNNXBMFYSA-N 0 0 304.371 3.230 10 5 DGBERN Cc1cc(CSCc2cc([N+](=O)[O-])cc3c2OCOC3)no1 ZINC000044649057 431875815 /nfs/dbraw/zinc/87/58/15/431875815.db2.gz YNCPVJBFLGSKMM-UHFFFAOYSA-N 0 0 322.342 3.191 10 5 DGBERN CCc1ccc([C@H]2COCCN2Cc2csc([N+](=O)[O-])c2)o1 ZINC000126204492 431944538 /nfs/dbraw/zinc/94/45/38/431944538.db2.gz JUWLUZRNTBIWPX-CYBMUJFWSA-N 0 0 322.386 3.385 10 5 DGBERN O=C(NC1CC1)c1ccccc1NCc1ccc([N+](=O)[O-])cc1 ZINC000053064944 431960781 /nfs/dbraw/zinc/96/07/81/431960781.db2.gz KIXBYTANJGVYSW-UHFFFAOYSA-N 0 0 311.341 3.099 10 5 DGBERN Cc1sc(C(=O)N[C@@H](C)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000054166259 431968731 /nfs/dbraw/zinc/96/87/31/431968731.db2.gz SNEKMBKBRHRCCS-VIFPVBQESA-N 0 0 322.361 3.465 10 5 DGBERN CC1(C)CN(c2cc(N)ccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000193524600 281266895 /nfs/dbraw/zinc/26/68/95/281266895.db2.gz FPPQDNDSQBELDG-UHFFFAOYSA-N 0 0 305.378 3.105 10 5 DGBERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000190645212 281283635 /nfs/dbraw/zinc/28/36/35/281283635.db2.gz ADXXXGRBGGJZQM-HNNXBMFYSA-N 0 0 312.325 3.157 10 5 DGBERN CSc1ccc(CNC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000183563898 432303524 /nfs/dbraw/zinc/30/35/24/432303524.db2.gz HAJCDKOSQKPSAI-UHFFFAOYSA-N 0 0 318.358 3.033 10 5 DGBERN CCOC(=O)CN(Cc1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000152099576 432303726 /nfs/dbraw/zinc/30/37/26/432303726.db2.gz MEUGTKQCJXNTPP-UHFFFAOYSA-N 0 0 308.378 3.067 10 5 DGBERN CCn1cc([N+](=O)[O-])c(-c2nc(-c3cccc(Cl)c3)no2)n1 ZINC000191677207 432290355 /nfs/dbraw/zinc/29/03/55/432290355.db2.gz SQGCFTBCCNMDDY-UHFFFAOYSA-N 0 0 319.708 3.182 10 5 DGBERN Cc1nc(C2(NCc3ccc([N+](=O)[O-])cc3C)CCCC2)no1 ZINC000183458455 432294472 /nfs/dbraw/zinc/29/44/72/432294472.db2.gz AZKXBBVNAKHACS-UHFFFAOYSA-N 0 0 316.361 3.154 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[C@H]1c1ccccc1 ZINC000174010961 432313782 /nfs/dbraw/zinc/31/37/82/432313782.db2.gz XBNOYQULFZPEBQ-ZBEGNZNMSA-N 0 0 311.341 3.131 10 5 DGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C)CCC1 ZINC000175108666 432399395 /nfs/dbraw/zinc/39/93/95/432399395.db2.gz XXHIBKRFPROVQD-LLVKDONJSA-N 0 0 308.403 3.382 10 5 DGBERN CCc1cc(NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)n[nH]1 ZINC000192303931 432357367 /nfs/dbraw/zinc/35/73/67/432357367.db2.gz WHGKGEURZPIIIQ-UHFFFAOYSA-N 0 0 303.322 3.141 10 5 DGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(C(F)F)cc1 ZINC000184624945 432415153 /nfs/dbraw/zinc/41/51/53/432415153.db2.gz LBBFGVXFVWEIAN-UHFFFAOYSA-N 0 0 320.295 3.391 10 5 DGBERN Cc1cc(NC(=O)NC[C@@](C)(O)CCC(C)C)ccc1[N+](=O)[O-] ZINC000153624690 432425828 /nfs/dbraw/zinc/42/58/28/432425828.db2.gz MCFFLWRRYJGSAR-INIZCTEOSA-N 0 0 323.393 3.212 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2ccccc2)on1 ZINC000175863386 432473743 /nfs/dbraw/zinc/47/37/43/432473743.db2.gz BCJSUJXDHWQDEV-UHFFFAOYSA-N 0 0 324.296 3.206 10 5 DGBERN O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)c(Cl)c1 ZINC000185224079 432479626 /nfs/dbraw/zinc/47/96/26/432479626.db2.gz JZCYBORSZCLQKZ-AWEZNQCLSA-N 0 0 320.780 3.109 10 5 DGBERN Cc1ccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000193638616 432486104 /nfs/dbraw/zinc/48/61/04/432486104.db2.gz FASYREFRIYTVMV-LBPRGKRZSA-N 0 0 317.345 3.094 10 5 DGBERN CCCn1cc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000154286500 432487953 /nfs/dbraw/zinc/48/79/53/432487953.db2.gz FOLNHNFEWBBAPZ-UHFFFAOYSA-N 0 0 314.389 3.366 10 5 DGBERN CC[C@@H](NC(=O)NCCCCCOC)c1cccc([N+](=O)[O-])c1 ZINC000176037780 432488422 /nfs/dbraw/zinc/48/84/22/432488422.db2.gz PPVDAERPAJAKKJ-OAHLLOKOSA-N 0 0 323.393 3.162 10 5 DGBERN CC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1C)c1nccs1 ZINC000154299261 432489904 /nfs/dbraw/zinc/48/99/04/432489904.db2.gz XZJLGFPIPJGBJO-OAHLLOKOSA-N 0 0 319.386 3.415 10 5 DGBERN COc1ccc(NC(=O)c2ccc3cc[nH]c3c2)c([N+](=O)[O-])c1 ZINC000193719003 432493770 /nfs/dbraw/zinc/49/37/70/432493770.db2.gz ALSGHAVORHZKSQ-UHFFFAOYSA-N 0 0 311.297 3.337 10 5 DGBERN CCc1cc(NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000185425343 432499034 /nfs/dbraw/zinc/49/90/34/432499034.db2.gz QAYSTLWJGCVUQL-GFCCVEGCSA-N 0 0 316.361 3.088 10 5 DGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C)CCC1 ZINC000185453809 432502598 /nfs/dbraw/zinc/50/25/98/432502598.db2.gz DRJJMMKCWWMKHD-AWEZNQCLSA-N 0 0 304.390 3.470 10 5 DGBERN CC(C)C[C@@H](C)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000185068849 432463916 /nfs/dbraw/zinc/46/39/16/432463916.db2.gz NSFFHNRCKCISNM-LLVKDONJSA-N 0 0 322.361 3.377 10 5 DGBERN Cc1ccc(OC[C@@H](O)COc2cccc([N+](=O)[O-])c2C)cc1 ZINC000154025287 432464869 /nfs/dbraw/zinc/46/48/69/432464869.db2.gz QOTOPTLNJKUGNS-CQSZACIVSA-N 0 0 317.341 3.030 10 5 DGBERN CCS[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000176763427 432550600 /nfs/dbraw/zinc/55/06/00/432550600.db2.gz MFEVSWGQDBPGCQ-AAEUAGOBSA-N 0 0 323.418 3.092 10 5 DGBERN Cc1sc(C(=O)NC[C@H]2Cc3ccccc32)cc1[N+](=O)[O-] ZINC000194083522 432523081 /nfs/dbraw/zinc/52/30/81/432523081.db2.gz IMGIWLFJXPDLQG-LLVKDONJSA-N 0 0 302.355 3.034 10 5 DGBERN CC(C)[C@@H]1C[C@@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000185780012 432532450 /nfs/dbraw/zinc/53/24/50/432532450.db2.gz RHSGHMROWWAFKJ-GJZGRUSLSA-N 0 0 302.374 3.378 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000155217130 432543786 /nfs/dbraw/zinc/54/37/86/432543786.db2.gz UPIWXNKOYMLDSB-QWHCGFSZSA-N 0 0 320.389 3.143 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cl)c1F ZINC000194788461 432577128 /nfs/dbraw/zinc/57/71/28/432577128.db2.gz ZKWYTBWWVUTAQN-UHFFFAOYSA-N 0 0 309.684 3.343 10 5 DGBERN COc1cc(C(=O)Nc2ccc3cc[nH]c3c2)ccc1[N+](=O)[O-] ZINC000194832804 432579313 /nfs/dbraw/zinc/57/93/13/432579313.db2.gz WICBICQZGLVFNG-UHFFFAOYSA-N 0 0 311.297 3.337 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000194839141 432581031 /nfs/dbraw/zinc/58/10/31/432581031.db2.gz QDEAGNGZFVXRSP-CVEARBPZSA-N 0 0 314.316 3.328 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000194840280 432581344 /nfs/dbraw/zinc/58/13/44/432581344.db2.gz FMANFGCJSZTXNV-UHFFFAOYSA-N 0 0 302.334 3.107 10 5 DGBERN C[C@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000155966918 432583446 /nfs/dbraw/zinc/58/34/46/432583446.db2.gz COHSMPGWYUNJLZ-VIFPVBQESA-N 0 0 304.277 3.182 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)c1cccs1 ZINC000186854358 432633569 /nfs/dbraw/zinc/63/35/69/432633569.db2.gz WFFLDQUWOCMYJW-JTQLQIEISA-N 0 0 305.359 3.193 10 5 DGBERN Cc1nc2c(c(N3CCc4c(cccc4[N+](=O)[O-])C3)n1)CCCC2 ZINC000302072366 282011589 /nfs/dbraw/zinc/01/15/89/282011589.db2.gz FQVCLYLSTSTBHT-UHFFFAOYSA-N 0 0 324.384 3.135 10 5 DGBERN COC(=O)c1ccc(NCc2csc([N+](=O)[O-])c2)c(OC)c1 ZINC000187537850 432668663 /nfs/dbraw/zinc/66/86/63/432668663.db2.gz CRAFOJINNLRCON-UHFFFAOYSA-N 0 0 322.342 3.064 10 5 DGBERN CC[C@@H](NC(=O)c1cc(C2CC2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000177785565 432660381 /nfs/dbraw/zinc/66/03/81/432660381.db2.gz RHSBBHONWRMCGD-CYBMUJFWSA-N 0 0 314.345 3.076 10 5 DGBERN CC[C@H](NC(=O)c1cc(Cl)cn1C)c1cccc([N+](=O)[O-])c1 ZINC000177781240 432660925 /nfs/dbraw/zinc/66/09/25/432660925.db2.gz FJXVLGYBZZWMKW-ZDUSSCGKSA-N 0 0 321.764 3.468 10 5 DGBERN CC[C@@H](NC(=O)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177797343 432661770 /nfs/dbraw/zinc/66/17/70/432661770.db2.gz UYELNLMGSVYHTM-MRXNPFEDSA-N 0 0 314.341 3.485 10 5 DGBERN Cc1ccc([C@H]2CN(Cc3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000159026035 432665966 /nfs/dbraw/zinc/66/59/66/432665966.db2.gz DFUFYOJTSVBEOH-MRXNPFEDSA-N 0 0 302.330 3.070 10 5 DGBERN C[C@H]1CC[C@](CO)([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000187952844 432695314 /nfs/dbraw/zinc/69/53/14/432695314.db2.gz UORSZWWMUBSBOP-NHYWBVRUSA-N 0 0 312.797 3.231 10 5 DGBERN CC[C@](C)(CCO)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000230216545 432726360 /nfs/dbraw/zinc/72/63/60/432726360.db2.gz ROUIZDHKMQRHED-GFCCVEGCSA-N 0 0 317.183 3.320 10 5 DGBERN O=c1cc(C2CC2)nc(SCc2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC000188131627 432707982 /nfs/dbraw/zinc/70/79/82/432707982.db2.gz KKIICRMBVZAXRO-UHFFFAOYSA-N 0 0 321.333 3.399 10 5 DGBERN CN1CCC[C@H]1CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000228844340 432720098 /nfs/dbraw/zinc/72/00/98/432720098.db2.gz RLSJZASJDQCAJM-QMMMGPOBSA-N 0 0 304.177 3.408 10 5 DGBERN Cc1ccc([C@H](C)[NH2+]Cc2ccc(CO)c(F)c2)cc1[N+](=O)[O-] ZINC000178562938 432753040 /nfs/dbraw/zinc/75/30/40/432753040.db2.gz BMGFOHJSEZSTJO-LBPRGKRZSA-N 0 0 318.348 3.385 10 5 DGBERN CO[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[C@H]1C ZINC000275965790 432762811 /nfs/dbraw/zinc/76/28/11/432762811.db2.gz GTYIFXZVBHUDCJ-IAQYHMDHSA-N 0 0 301.346 3.004 10 5 DGBERN CC[C@@H](N[C@H](C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178674012 432764841 /nfs/dbraw/zinc/76/48/41/432764841.db2.gz VMHKOXGXELYNNT-BXUZGUMPSA-N 0 0 308.378 3.366 10 5 DGBERN Cc1c(CNc2ncncc2Br)cccc1[N+](=O)[O-] ZINC000231868570 432734862 /nfs/dbraw/zinc/73/48/62/432734862.db2.gz GVVDCMFMNGGXEX-UHFFFAOYSA-N 0 0 323.150 3.068 10 5 DGBERN COC[C@H](C)Nc1cc(C)c([N+](=O)[O-])cc1Br ZINC000234704387 432740091 /nfs/dbraw/zinc/74/00/91/432740091.db2.gz KYBNVUHATAJADZ-QMMMGPOBSA-N 0 0 303.156 3.113 10 5 DGBERN Cc1nc(CC(C)C)oc1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000188697368 432740413 /nfs/dbraw/zinc/74/04/13/432740413.db2.gz ZCSYMXSJKNFKLR-UHFFFAOYSA-N 0 0 317.345 3.020 10 5 DGBERN Cc1ccc(NCC[C@@H]2c3ccccc3NC2=O)c([N+](=O)[O-])c1 ZINC000155383282 292706042 /nfs/dbraw/zinc/70/60/42/292706042.db2.gz ORAYQSANUPYWNH-CYBMUJFWSA-N 0 0 311.341 3.441 10 5 DGBERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000117587946 289086346 /nfs/dbraw/zinc/08/63/46/289086346.db2.gz QTXLAKONZVQVQG-PIGZYNQJSA-N 0 0 324.336 3.049 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(c2cccc(F)c2)CC1 ZINC000156579162 292731755 /nfs/dbraw/zinc/73/17/55/292731755.db2.gz UUEGVPUBWUMEFG-UHFFFAOYSA-N 0 0 314.316 3.461 10 5 DGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC12CCC2 ZINC000373071701 433084005 /nfs/dbraw/zinc/08/40/05/433084005.db2.gz UDIACPCSPVCXTB-UHFFFAOYSA-N 0 0 313.357 3.164 10 5 DGBERN C[C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@H]1O ZINC000300419831 433392684 /nfs/dbraw/zinc/39/26/84/433392684.db2.gz RUSACRKTTCPNTH-RDDDGLTNSA-N 0 0 305.161 3.109 10 5 DGBERN CNC(=O)c1ccc(NC/C=C/c2ccccc2)c([N+](=O)[O-])c1 ZINC000301261847 433478334 /nfs/dbraw/zinc/47/83/34/433478334.db2.gz VHTOEPXRTCUPMV-VMPITWQZSA-N 0 0 311.341 3.080 10 5 DGBERN O=C(NCCC1=CCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000160183929 292809505 /nfs/dbraw/zinc/80/95/05/292809505.db2.gz BGJWOBPXUGUDCN-UHFFFAOYSA-N 0 0 315.373 3.399 10 5 DGBERN CCCN(C[C@@H]1CCCCO1)c1ncc([N+](=O)[O-])cc1Cl ZINC000301285230 433490889 /nfs/dbraw/zinc/49/08/89/433490889.db2.gz QGKKTHCANZAWQP-LBPRGKRZSA-N 0 0 313.785 3.429 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1N1CCC(OC2CCOCC2)CC1 ZINC000301478946 433573310 /nfs/dbraw/zinc/57/33/10/433573310.db2.gz QPOJDMRJZXVCHD-UHFFFAOYSA-N 0 0 320.389 3.068 10 5 DGBERN CCc1cccc(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000160588504 292817863 /nfs/dbraw/zinc/81/78/63/292817863.db2.gz BJDMRHNKLVNFOJ-UHFFFAOYSA-N 0 0 312.369 3.059 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCC2=CCCC2)c1 ZINC000161155514 292829459 /nfs/dbraw/zinc/82/94/59/292829459.db2.gz YCGRYLSLXZSQAS-UHFFFAOYSA-N 0 0 318.373 3.289 10 5 DGBERN COc1cc(C)cc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000162334849 292851775 /nfs/dbraw/zinc/85/17/75/292851775.db2.gz FSUPNLBBQFGPJW-UHFFFAOYSA-N 0 0 314.341 3.150 10 5 DGBERN C[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])Nc1ccccc1 ZINC000301546244 433604371 /nfs/dbraw/zinc/60/43/71/433604371.db2.gz FCNNDWTYOCMNFW-JTQLQIEISA-N 0 0 317.374 3.217 10 5 DGBERN CO[C@H](C)c1nc(CN(C)c2ccccc2[N+](=O)[O-])cs1 ZINC000301578461 433617031 /nfs/dbraw/zinc/61/70/31/433617031.db2.gz UBGPTJPPSADZKR-SNVBAGLBSA-N 0 0 307.375 3.395 10 5 DGBERN CCOc1ccc(C(=O)N2CC3(C2)CCCC3)cc1[N+](=O)[O-] ZINC000366687391 292976980 /nfs/dbraw/zinc/97/69/80/292976980.db2.gz NGRVDZSKVIQXRR-UHFFFAOYSA-N 0 0 304.346 3.010 10 5 DGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCC12CCC2 ZINC000366789076 292988763 /nfs/dbraw/zinc/98/87/63/292988763.db2.gz JFNWSSXPHABUNW-UHFFFAOYSA-N 0 0 308.765 3.336 10 5 DGBERN CC(=O)c1cc([N+](=O)[O-])ccc1NCc1c(C)cc(C)[nH]c1=O ZINC000283501363 433736285 /nfs/dbraw/zinc/73/62/85/433736285.db2.gz IRTNTKVYMDFMIZ-UHFFFAOYSA-N 0 0 315.329 3.127 10 5 DGBERN CC(=O)c1cc(N2CCC(OCC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000283788867 433777507 /nfs/dbraw/zinc/77/75/07/433777507.db2.gz RPMRVPWJANKANI-UHFFFAOYSA-N 0 0 320.389 3.439 10 5 DGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@H]1CCO[C@H]1c1ccccc1 ZINC000302019621 433809755 /nfs/dbraw/zinc/80/97/55/433809755.db2.gz DOGIEKNZMYHYCY-YOEHRIQHSA-N 0 0 314.341 3.029 10 5 DGBERN C[C@@H](NC(=O)N1CCCC12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000377362064 293649452 /nfs/dbraw/zinc/64/94/52/293649452.db2.gz IYXFNQAKFRXURB-GFCCVEGCSA-N 0 0 303.362 3.384 10 5 DGBERN Cc1nccc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000507254441 294291991 /nfs/dbraw/zinc/29/19/91/294291991.db2.gz VOOKBMQBSUEYLZ-UHFFFAOYSA-N 0 0 300.362 3.104 10 5 DGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@H](CO)C1CC1 ZINC000357814615 434196350 /nfs/dbraw/zinc/19/63/50/434196350.db2.gz VDKVBGRGSKTVCC-SECBINFHSA-N 0 0 304.268 3.044 10 5 DGBERN O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000437400213 434258399 /nfs/dbraw/zinc/25/83/99/434258399.db2.gz ITUJJWAXRVLQTA-UMSPYCQHSA-N 0 0 319.748 3.252 10 5 DGBERN Cc1cc(N2CCN(c3ccccc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000391941479 434384673 /nfs/dbraw/zinc/38/46/73/434384673.db2.gz RKGGBUXUQMILRX-UHFFFAOYSA-N 0 0 315.348 3.369 10 5 DGBERN CCOc1ccc(C(=O)N[C@@H]2C[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000458013773 434443222 /nfs/dbraw/zinc/44/32/22/434443222.db2.gz NGEWUWQTROAUEJ-CHWSQXEVSA-N 0 0 306.362 3.158 10 5 DGBERN Cc1cc(N2CC[C@H](CCO)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360075639 434505217 /nfs/dbraw/zinc/50/52/17/434505217.db2.gz VCRSWUQNIQSYKJ-SNVBAGLBSA-N 0 0 318.295 3.131 10 5 DGBERN CC(C)[C@@H]1C[C@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000458119418 434489145 /nfs/dbraw/zinc/48/91/45/434489145.db2.gz WOWZBNFAFPAKNJ-WCBMZHEXSA-N 0 0 316.279 3.388 10 5 DGBERN CC1(O)CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000408106364 434543227 /nfs/dbraw/zinc/54/32/27/434543227.db2.gz KIZSZYVCPRSSLX-UHFFFAOYSA-N 0 0 305.161 3.253 10 5 DGBERN CC1(C)CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000408104651 434543332 /nfs/dbraw/zinc/54/33/32/434543332.db2.gz GASWFPNVXVRCCX-JTQLQIEISA-N 0 0 305.161 3.109 10 5 DGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000361073781 434787894 /nfs/dbraw/zinc/78/78/94/434787894.db2.gz MRUUUVDAVKLUPH-UONOGXRCSA-N 0 0 318.373 3.050 10 5 DGBERN Cc1cc(NC[C@H](CO)c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000461971968 434895961 /nfs/dbraw/zinc/89/59/61/434895961.db2.gz NJNPGHIDYAQLNG-CYBMUJFWSA-N 0 0 304.321 3.230 10 5 DGBERN COC(=O)c1c(C(F)(F)F)ccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575381096 435032750 /nfs/dbraw/zinc/03/27/50/435032750.db2.gz WJPBHDXJDXNFLU-UHFFFAOYSA-N 0 0 317.141 3.419 10 5 DGBERN COc1c(OC(F)F)cc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575666598 435040786 /nfs/dbraw/zinc/04/07/86/435040786.db2.gz JSXJMFVHHYFWKN-UHFFFAOYSA-N 0 0 303.139 3.103 10 5 DGBERN CC(=O)c1c(OC(F)F)ccc([N+](=O)[O-])c1Br ZINC000575682914 435044036 /nfs/dbraw/zinc/04/40/36/435044036.db2.gz FZOBNYIKPLIYQU-UHFFFAOYSA-N 0 0 310.050 3.161 10 5 DGBERN CCOc1cc(CC)c([N+](=O)[O-])cc1I ZINC000575697039 435046894 /nfs/dbraw/zinc/04/68/94/435046894.db2.gz SPDXASLBBUQAGX-UHFFFAOYSA-N 0 0 321.114 3.161 10 5 DGBERN CCOC(=O)Cc1cc(Cl)cc(Br)c1[N+](=O)[O-] ZINC000575700213 435047533 /nfs/dbraw/zinc/04/75/33/435047533.db2.gz QYTSKNBSXNOHKK-UHFFFAOYSA-N 0 0 322.542 3.116 10 5 DGBERN CCn1nc(C)c(CNc2ncc(Cl)cc2[N+](=O)[O-])c1C ZINC000532756611 435191798 /nfs/dbraw/zinc/19/17/98/435191798.db2.gz NHYVAROADNQTIY-UHFFFAOYSA-N 0 0 309.757 3.089 10 5 DGBERN COc1ccc2c(c1)Sc1cc([N+](=O)[O-])ccc1N2CCO ZINC000536953166 435418740 /nfs/dbraw/zinc/41/87/40/435418740.db2.gz JTWYKTYYIRGJEP-UHFFFAOYSA-N 0 0 318.354 3.198 10 5 DGBERN COCCC[C@@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])nc1 ZINC000480560156 435384589 /nfs/dbraw/zinc/38/45/89/435384589.db2.gz VOHYCWJTZNISTM-HNNXBMFYSA-N 0 0 315.373 3.440 10 5 DGBERN C[C@@H](C(=O)N[C@@H]1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000568826502 435472474 /nfs/dbraw/zinc/47/24/74/435472474.db2.gz DUDONKPRONJGSM-ZYHUDNBSSA-N 0 0 312.316 3.392 10 5 DGBERN CC[C@@H]1CCC[C@H]1Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000571293510 435695030 /nfs/dbraw/zinc/69/50/30/435695030.db2.gz PAWHGJXCDPFZQO-ZYHUDNBSSA-N 0 0 307.350 3.075 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)n1 ZINC000408170092 301203624 /nfs/dbraw/zinc/20/36/24/301203624.db2.gz CAXXIUSGVADDTM-RRFJBIMHSA-N 0 0 319.405 3.127 10 5 DGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000293670011 302038372 /nfs/dbraw/zinc/03/83/72/302038372.db2.gz NNXRWSKAHWFCSJ-RISCZKNCSA-N 0 0 310.300 3.021 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](C)C(C)C)c1 ZINC000172418402 312748330 /nfs/dbraw/zinc/74/83/30/312748330.db2.gz BRHPKGHPXXXBQY-ZDUSSCGKSA-N 0 0 308.378 3.080 10 5 DGBERN CCOc1cc(C(=O)NC[C@@H](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000172443784 312748802 /nfs/dbraw/zinc/74/88/02/312748802.db2.gz KOXISBRULUIZGX-LLVKDONJSA-N 0 0 324.377 3.024 10 5 DGBERN O=C1CCN1c1ccc(Nc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000540997031 313991994 /nfs/dbraw/zinc/99/19/94/313991994.db2.gz ZHOAQGFURCGSGM-UHFFFAOYSA-N 0 0 301.277 3.214 10 5 DGBERN CN(C[C@H]1CC=CCC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000542270046 314066474 /nfs/dbraw/zinc/06/64/74/314066474.db2.gz UHJMBNUXVIIOFV-HNNXBMFYSA-N 0 0 317.389 3.135 10 5 DGBERN COc1ccc(Cc2nc([C@@H](C)C3CC3)no2)cc1[N+](=O)[O-] ZINC000545099338 314226732 /nfs/dbraw/zinc/22/67/32/314226732.db2.gz WQHVQDNUDDUZKI-VIFPVBQESA-N 0 0 303.318 3.091 10 5 DGBERN COC(=O)c1cc(C)nc(N[C@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000557468665 314805931 /nfs/dbraw/zinc/80/59/31/314805931.db2.gz KRHVGPBMGOGQNI-CABZTGNLSA-N 0 0 307.350 3.075 10 5 DGBERN Cc1ccccc1[C@@]1(F)CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000572654381 315808615 /nfs/dbraw/zinc/80/86/15/315808615.db2.gz CLLDIDGCTMALLW-MRXNPFEDSA-N 0 0 301.321 3.373 10 5 DGBERN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCCCC1CC1 ZINC000577704207 316261283 /nfs/dbraw/zinc/26/12/83/316261283.db2.gz ZSKMYIZYMKAXCJ-UHFFFAOYSA-N 0 0 319.405 3.029 10 5 DGBERN COc1ccc(CNc2cc(CO)ccc2[N+](=O)[O-])cc1Cl ZINC000302051826 533705422 /nfs/dbraw/zinc/70/54/22/533705422.db2.gz PBMNRWTZTWRPQB-UHFFFAOYSA-N 0 0 322.748 3.361 10 5 DGBERN CCc1cnccc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000182637712 323306496 /nfs/dbraw/zinc/30/64/96/323306496.db2.gz UEKPBUYDKNXLQJ-LLVKDONJSA-N 0 0 311.341 3.144 10 5 DGBERN CCc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1C ZINC000183301455 323333247 /nfs/dbraw/zinc/33/32/47/323333247.db2.gz XDAFGAPMRBVOBY-UHFFFAOYSA-N 0 0 314.341 3.483 10 5 DGBERN CCN(CCO)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000584603319 337371140 /nfs/dbraw/zinc/37/11/40/337371140.db2.gz VNZWOONPEZIIPL-UHFFFAOYSA-N 0 0 302.330 3.206 10 5 DGBERN O=[N+]([O-])c1n[nH]c([N+](=O)[O-])c1Oc1cccc(C(F)(F)F)c1 ZINC000584660934 337378305 /nfs/dbraw/zinc/37/83/05/337378305.db2.gz HNHMXLLQQLTBSK-UHFFFAOYSA-N 0 0 318.167 3.037 10 5 DGBERN COC(=O)c1cc(N[C@H]2CC(C)(C)OC2(C)C)ccc1[N+](=O)[O-] ZINC000302013046 533895978 /nfs/dbraw/zinc/89/59/78/533895978.db2.gz BFRCVWFGNLULOJ-ZDUSSCGKSA-N 0 0 322.361 3.139 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc(OC)c2)c1 ZINC000302072921 534245844 /nfs/dbraw/zinc/24/58/44/534245844.db2.gz FTECCXHEXBNLTL-UHFFFAOYSA-N 0 0 316.313 3.002 10 5 DGBERN O=C(NCCCc1ccccn1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000178828073 534851354 /nfs/dbraw/zinc/85/13/54/534851354.db2.gz DXOWLYVIFVSUHI-UHFFFAOYSA-N 0 0 319.748 3.006 10 5 DGBERN C[C@@H]1C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160294424 525495226 /nfs/dbraw/zinc/49/52/26/525495226.db2.gz NCUSPODQYJISNJ-HZGVNTEJSA-N 0 0 303.240 3.144 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cn1 ZINC000435575421 534882359 /nfs/dbraw/zinc/88/23/59/534882359.db2.gz QYIUQZMDWRJMLW-JOYOIKCWSA-N 0 0 309.247 3.375 10 5 DGBERN O=[N+]([O-])c1ccc(CO)cc1NCCOc1ccccc1Cl ZINC000302077903 534881836 /nfs/dbraw/zinc/88/18/36/534881836.db2.gz YYKLURJVBLGKNU-UHFFFAOYSA-N 0 0 322.748 3.231 10 5 DGBERN O=[N+]([O-])c1ccc2c(c1NCc1ccc(Cl)cn1)CCN2 ZINC000195269532 534884253 /nfs/dbraw/zinc/88/42/53/534884253.db2.gz LRZBCNLNAWSTPK-UHFFFAOYSA-N 0 0 304.737 3.223 10 5 DGBERN O=[N+]([O-])c1cccc(F)c1CN1CCO[C@@H](c2cccs2)C1 ZINC000157746146 527389373 /nfs/dbraw/zinc/38/93/73/527389373.db2.gz XHWZWLMORVHPLU-CQSZACIVSA-N 0 0 322.361 3.369 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2nccc(C)n2)no1 ZINC000432679349 527499619 /nfs/dbraw/zinc/49/96/19/527499619.db2.gz OHQOHUGZVQHTPV-KTKRTIGZSA-N 0 0 323.312 3.304 10 5 DGBERN CCC[C@H]1C[C@H]1Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000301441522 528437248 /nfs/dbraw/zinc/43/72/48/528437248.db2.gz MKLZPJOXPYZVNZ-SMDDNHRTSA-N 0 0 305.378 3.334 10 5 DGBERN CC[C@@H](Nc1nc(CCOC)ns1)c1cccc([N+](=O)[O-])c1 ZINC000176950260 529213229 /nfs/dbraw/zinc/21/32/29/529213229.db2.gz SVHQNGHPKDYOPN-GFCCVEGCSA-N 0 0 322.390 3.198 10 5 DGBERN CCS[C@@H]1CC[C@]1(O)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000301496094 529221612 /nfs/dbraw/zinc/22/16/12/529221612.db2.gz TUSJALXVWGYQSY-OLZOCXBDSA-N 0 0 316.810 3.307 10 5 DGBERN CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc([N+](=O)[O-])nc1 ZINC000735487202 574703677 /nfs/dbraw/zinc/70/36/77/574703677.db2.gz RYPHEMUOWFGINS-UHFFFAOYSA-N 0 0 322.708 3.188 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000154961569 620748825 /nfs/dbraw/zinc/74/88/25/620748825.db2.gz FNYWVEWSWCAGRR-UHFFFAOYSA-N 0 0 316.269 3.168 10 5 DGBERN C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000017959236 618303207 /nfs/dbraw/zinc/30/32/07/618303207.db2.gz JLEKHNUOMBYUGH-VIFPVBQESA-N 0 0 319.748 3.321 10 5 DGBERN Cc1ccc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000223244763 618529292 /nfs/dbraw/zinc/52/92/92/618529292.db2.gz DPNJJFZHCQFAKU-GFCCVEGCSA-N 0 0 321.377 3.325 10 5 DGBERN O=C(CC[C@@H]1CCCCO1)OCCc1ccccc1[N+](=O)[O-] ZINC000151201004 620429420 /nfs/dbraw/zinc/42/94/20/620429420.db2.gz LYPNVBSJUIWURA-AWEZNQCLSA-N 0 0 307.346 3.030 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)CCCC[C@H](C)C(C)=O ZINC000122712896 622390047 /nfs/dbraw/zinc/39/00/47/622390047.db2.gz UVHUDMIKZJRYEI-NSHDSACASA-N 0 0 323.345 3.294 10 5 DGBERN COc1ccc(OC(=O)CCCC[C@H](C)C(C)=O)c([N+](=O)[O-])c1 ZINC000123129845 622469150 /nfs/dbraw/zinc/46/91/50/622469150.db2.gz VIYBONWFLYDZIE-NSHDSACASA-N 0 0 323.345 3.294 10 5 DGBERN CCCCSCCC(=O)Oc1ccc(OC)cc1[N+](=O)[O-] ZINC000130755000 625897535 /nfs/dbraw/zinc/89/75/35/625897535.db2.gz PQKYQEHCQCZOAN-UHFFFAOYSA-N 0 0 313.375 3.432 10 5 DGBERN CC(=O)Nc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000133351645 626782324 /nfs/dbraw/zinc/78/23/24/626782324.db2.gz FOHQEABTLJCNGF-UHFFFAOYSA-N 0 0 314.297 3.081 10 5 DGBERN CC[C@@H](NC(=O)Nc1cccc(F)n1)c1cccc([N+](=O)[O-])c1 ZINC000134214026 626864305 /nfs/dbraw/zinc/86/43/05/626864305.db2.gz PKIKSJHCHFGQBH-GFCCVEGCSA-N 0 0 318.308 3.402 10 5 DGBERN CC(=O)c1c[nH]c(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000008259275 627573861 /nfs/dbraw/zinc/57/38/61/627573861.db2.gz QXUPOXPNLYAUEF-SNVBAGLBSA-N 0 0 302.286 3.044 10 5 DGBERN Cc1occc1COC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000073536289 660370084 /nfs/dbraw/zinc/37/00/84/660370084.db2.gz FMBVMNBQLPFBJE-UHFFFAOYSA-N 0 0 318.329 3.432 10 5 DGBERN O=C(NCC[C@@H]1CCSC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000704867184 660823291 /nfs/dbraw/zinc/82/32/91/660823291.db2.gz ZTJZCGMTFUPMFS-SECBINFHSA-N 0 0 314.794 3.121 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N)cc1F ZINC000176144346 655743086 /nfs/dbraw/zinc/74/30/86/655743086.db2.gz NRNZODLSNYHASF-JTQLQIEISA-N 0 0 317.320 3.116 10 5 DGBERN O=C(Oc1cccc([N+](=O)[O-])c1)C1(c2ccc(F)cc2)CC1 ZINC000044295100 655805542 /nfs/dbraw/zinc/80/55/42/655805542.db2.gz OLPOYDJHMLGVDF-UHFFFAOYSA-N 0 0 301.273 3.371 10 5 DGBERN C[C@H](COc1ccccc1)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000066521501 655953255 /nfs/dbraw/zinc/95/32/55/655953255.db2.gz SUSYNNSQSVHCCL-GFCCVEGCSA-N 0 0 301.298 3.219 10 5 DGBERN COCc1ccc(C(=O)O[C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000098161171 657972564 /nfs/dbraw/zinc/97/25/64/657972564.db2.gz ZKTQQCNSSYVRCI-JTQLQIEISA-N 0 0 305.286 3.252 10 5 DGBERN CC(C)C[C@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000263107973 658136432 /nfs/dbraw/zinc/13/64/32/658136432.db2.gz YCDATGQAHBWFKI-LLVKDONJSA-N 0 0 314.769 3.085 10 5 DGBERN C[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000165078203 658963358 /nfs/dbraw/zinc/96/33/58/658963358.db2.gz WOCRCNSQYXPCHH-VIFPVBQESA-N 0 0 312.753 3.249 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)o1 ZINC000057464708 659015526 /nfs/dbraw/zinc/01/55/26/659015526.db2.gz UPKKXEDRMDASJZ-JXPAYYINSA-N 0 0 300.314 3.387 10 5 DGBERN CCCOCCOC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000170961355 659252057 /nfs/dbraw/zinc/25/20/57/659252057.db2.gz ZKHOLHJKTWHNTR-UHFFFAOYSA-N 0 0 309.343 3.393 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1noc(C(C)(C)C)n1 ZINC000172872211 659358450 /nfs/dbraw/zinc/35/84/50/659358450.db2.gz WWKKGHUYDXLDMY-SNVBAGLBSA-N 0 0 316.361 3.227 10 5 DGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1scnc1C1CC1 ZINC000089738841 659871823 /nfs/dbraw/zinc/87/18/23/659871823.db2.gz IQBMVBAQUPNPOJ-UHFFFAOYSA-N 0 0 307.306 3.320 10 5 DGBERN Cc1ccc([C@H]2CCCN2Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000068139157 659941081 /nfs/dbraw/zinc/94/10/81/659941081.db2.gz ZFUFAGAJBLLNLW-MRXNPFEDSA-N 0 0 300.362 3.203 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)OCc1ccccc1 ZINC000156304300 661862406 /nfs/dbraw/zinc/86/24/06/661862406.db2.gz ZAXWZSWFXPYGHR-UHFFFAOYSA-N 0 0 300.314 3.107 10 5 DGBERN COc1ccc([N+](=O)[O-])c(C(=O)OCCCC(F)(F)F)c1 ZINC000157473828 661867850 /nfs/dbraw/zinc/86/78/50/661867850.db2.gz DMZIMHRCBZPZCI-UHFFFAOYSA-N 0 0 307.224 3.103 10 5 DGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCCCC(F)(F)F ZINC000157631891 661868270 /nfs/dbraw/zinc/86/82/70/661868270.db2.gz OHVMUCONMYTDFI-QPJJXVBHSA-N 0 0 303.236 3.494 10 5 DGBERN COc1cccc(CC(=O)O[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000047176157 661872863 /nfs/dbraw/zinc/87/28/63/661872863.db2.gz HUDDVZLKNNGIDG-LBPRGKRZSA-N 0 0 315.325 3.450 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000076711209 661994580 /nfs/dbraw/zinc/99/45/80/661994580.db2.gz BNJNSONBROGHIC-UHFFFAOYSA-N 0 0 315.285 3.088 10 5 DGBERN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)c(C)n1 ZINC000077583383 662032776 /nfs/dbraw/zinc/03/27/76/662032776.db2.gz JKAQTRNBQYEPLW-UHFFFAOYSA-N 0 0 307.256 3.137 10 5 DGBERN COC(OC)[C@@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079616631 662115720 /nfs/dbraw/zinc/11/57/20/662115720.db2.gz RJVPTAUNPNQFLR-SSDOTTSWSA-N 0 0 308.256 3.033 10 5 DGBERN CCCCCc1ccc(OC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000194113875 662157578 /nfs/dbraw/zinc/15/75/78/662157578.db2.gz WMQSKAIOBNCZRE-UHFFFAOYSA-N 0 0 317.345 3.130 10 5 DGBERN COc1cc([N+](=O)[O-])ccc1OCc1cc(F)ccc1[N+](=O)[O-] ZINC000195196524 662179823 /nfs/dbraw/zinc/17/98/23/662179823.db2.gz CXRIDAYEXORGCH-UHFFFAOYSA-N 0 0 322.248 3.230 10 5 DGBERN O=[N+]([O-])c1ccc(Cl)cc1CN1CCO[C@H]2CCCC[C@H]21 ZINC000245411307 662232355 /nfs/dbraw/zinc/23/23/55/662232355.db2.gz WHHBXPZLJZVQGI-CABCVRRESA-N 0 0 310.781 3.392 10 5 DGBERN O=C(OCc1cccc([N+](=O)[O-])c1)c1scnc1C1CC1 ZINC000089783695 662248088 /nfs/dbraw/zinc/24/80/88/662248088.db2.gz YKIKTSOVIZIJBO-UHFFFAOYSA-N 0 0 304.327 3.286 10 5 DGBERN COc1ccc(CNCc2cnc(Cl)s2)cc1[N+](=O)[O-] ZINC000718830839 662262300 /nfs/dbraw/zinc/26/23/00/662262300.db2.gz YLKJAQOPYSSMRU-UHFFFAOYSA-N 0 0 313.766 3.003 10 5 DGBERN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000719020656 662266611 /nfs/dbraw/zinc/26/66/11/662266611.db2.gz GDBPJGBTLKNMTN-ZETCQYMHSA-N 0 0 314.135 3.313 10 5 DGBERN CC(C)c1nc(CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)no1 ZINC000086199382 685062907 /nfs/dbraw/zinc/06/29/07/685062907.db2.gz AXTDWSMVFOTRTD-JTQLQIEISA-N 0 0 302.334 3.052 10 5 DGBERN Nc1c(Cl)cc(C(=O)NC2CCCCCC2)cc1[N+](=O)[O-] ZINC000050700877 1194611915 /nfs/dbraw/zinc/61/19/15/1194611915.db2.gz LFYSUHLELYHNPK-UHFFFAOYSA-N 0 0 311.769 3.283 10 5 DGBERN Cc1ccc(CNc2ncc([N+](=O)[O-])cc2Br)nc1 ZINC000400877209 1199371707 /nfs/dbraw/zinc/37/17/07/1199371707.db2.gz VVYQITBTNIVSPL-UHFFFAOYSA-N 0 0 323.150 3.068 10 5 DGBERN CO[C@@H]1CCC[C@@H](OC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000588435192 1082266048 /nfs/dbraw/zinc/26/60/48/1082266048.db2.gz HASOQQMWSPVIJZ-NLNHSMHESA-N 0 0 319.357 3.499 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cccs1 ZINC000588435696 1082267480 /nfs/dbraw/zinc/26/74/80/1082267480.db2.gz FUSIBZOSWFTUGD-VAWYXSNFSA-N 0 0 316.382 3.419 10 5 DGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cccs1 ZINC000039535213 1082605470 /nfs/dbraw/zinc/60/54/70/1082605470.db2.gz MHOZCNQZCVGOBK-VIFPVBQESA-N 0 0 305.359 3.189 10 5 DGBERN Cc1ccncc1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000163063356 1087823379 /nfs/dbraw/zinc/82/33/79/1087823379.db2.gz AURABZAFFGSUOB-UHFFFAOYSA-N 0 0 323.150 3.068 10 5 DGBERN O=Cc1ccc(OCCOCc2ccccc2)c([N+](=O)[O-])c1 ZINC000309764992 1094793393 /nfs/dbraw/zinc/79/33/93/1094793393.db2.gz ZDACTPLNDGJLKS-UHFFFAOYSA-N 0 0 301.298 3.003 10 5 DGBERN CC(C)n1cc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)cn1 ZINC000160426323 1101637901 /nfs/dbraw/zinc/63/79/01/1101637901.db2.gz GZSQTBVJQLMHLL-UHFFFAOYSA-N 0 0 308.725 3.278 10 5 DGBERN O=[N+]([O-])c1ccccc1OCc1sncc1Br ZINC000719894865 1105032163 /nfs/dbraw/zinc/03/21/63/1105032163.db2.gz SKRRHGMPEMVEEP-UHFFFAOYSA-N 0 0 315.148 3.393 10 5 DGBERN C[C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000128995747 432002243 /nfs/dbraw/zinc/00/22/43/432002243.db2.gz RUSACRKTTCPNTH-HQJQHLMTSA-N 0 0 305.161 3.109 10 5 DGBERN CSC[C@@H]1CCCN1C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000183309633 199571642 /nfs/dbraw/zinc/57/16/42/199571642.db2.gz ZIWUUEVTDDHPLM-PABFRNLHSA-N 0 0 320.414 3.352 10 5 DGBERN Cc1csc([C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000186022648 186232233 /nfs/dbraw/zinc/23/22/33/186232233.db2.gz KZLMXRCPTZJREY-JTQLQIEISA-N 0 0 319.386 3.202 10 5 DGBERN O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000171890915 198001881 /nfs/dbraw/zinc/00/18/81/198001881.db2.gz YTOGRVZQIOFKRL-AAEUAGOBSA-N 0 0 302.355 3.190 10 5 DGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000292096943 222834185 /nfs/dbraw/zinc/83/41/85/222834185.db2.gz ZBQQZLRYNRDTHY-KGLIPLIRSA-N 0 0 310.300 3.279 10 5 DGBERN Cc1cc(C)c(OC(=O)[C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000174023159 198282003 /nfs/dbraw/zinc/28/20/03/198282003.db2.gz FXDXLDWLRZBSJJ-LBPRGKRZSA-N 0 0 300.314 3.316 10 5 DGBERN COc1ccccc1NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000003510906 181028175 /nfs/dbraw/zinc/02/81/75/181028175.db2.gz HFCKNYPQHRQBSQ-NSHDSACASA-N 0 0 316.313 3.009 10 5 DGBERN C[C@@H]1CCCC[C@@H]1NC(=O)CSc1ccsc1[N+](=O)[O-] ZINC000005069049 181200663 /nfs/dbraw/zinc/20/06/63/181200663.db2.gz GOXXTTXECSQNOQ-ZJUUUORDSA-N 0 0 314.432 3.443 10 5 DGBERN COc1cc(C(=O)N[C@H](C)c2ccccc2C)ccc1[N+](=O)[O-] ZINC000133516556 432065921 /nfs/dbraw/zinc/06/59/21/432065921.db2.gz QTROHJJHKDGEJG-GFCCVEGCSA-N 0 0 314.341 3.403 10 5 DGBERN CCCN(C[C@@H]1CCCCO1)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194612957 283277674 /nfs/dbraw/zinc/27/76/74/283277674.db2.gz APZNBIIPKLQVAQ-AWEZNQCLSA-N 0 0 320.389 3.325 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@@H](CO)CC(C)C ZINC000187501875 200120388 /nfs/dbraw/zinc/12/03/88/200120388.db2.gz UPLFSDHCCZMJDK-CYBMUJFWSA-N 0 0 323.393 3.082 10 5 DGBERN Cc1nc(N(C)Cc2nc3c(s2)CCCC3)ccc1[N+](=O)[O-] ZINC000268490489 432094416 /nfs/dbraw/zinc/09/44/16/432094416.db2.gz NQOLDBVUTZCJJO-UHFFFAOYSA-N 0 0 318.402 3.270 10 5 DGBERN C[C@@H]1CO[C@@H](c2ccccc2)CN1c1ncc([N+](=O)[O-])s1 ZINC000192477950 200885849 /nfs/dbraw/zinc/88/58/49/200885849.db2.gz IOYAMHYGDDAKLW-ZYHUDNBSSA-N 0 0 305.359 3.018 10 5 DGBERN Cc1sc(C(=O)Nc2cc([C@@H]3C[C@@H]3C)[nH]n2)cc1[N+](=O)[O-] ZINC000194555860 201251082 /nfs/dbraw/zinc/25/10/82/201251082.db2.gz CAHUCPHKCMKZLT-POYBYMJQSA-N 0 0 306.347 3.064 10 5 DGBERN O=[N+]([O-])c1ccc(N2CC[C@H](Oc3ccccc3Cl)C2)cn1 ZINC000443690392 239227139 /nfs/dbraw/zinc/22/71/39/239227139.db2.gz FUYKUKRBZYVWHW-LBPRGKRZSA-N 0 0 319.748 3.301 10 5 DGBERN CCc1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)oc1CC ZINC000135148293 432103184 /nfs/dbraw/zinc/10/31/84/432103184.db2.gz NMYLFHAHBJFLNL-UHFFFAOYSA-N 0 0 316.357 3.285 10 5 DGBERN CCOc1c(F)cccc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000074235285 283792734 /nfs/dbraw/zinc/79/27/34/283792734.db2.gz PJFVFFZNLLYQHW-UHFFFAOYSA-N 0 0 304.277 3.385 10 5 DGBERN CCc1nc(C2(NCc3ccccc3[N+](=O)[O-])CCCC2)no1 ZINC000171129451 432106548 /nfs/dbraw/zinc/10/65/48/432106548.db2.gz IDQICWFHMWSKLZ-UHFFFAOYSA-N 0 0 316.361 3.099 10 5 DGBERN COc1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000088210244 283940255 /nfs/dbraw/zinc/94/02/55/283940255.db2.gz IZGDKEOCWIIZMU-UHFFFAOYSA-N 0 0 304.277 3.303 10 5 DGBERN COCCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000190010398 432113134 /nfs/dbraw/zinc/11/31/34/432113134.db2.gz GUGCPQVMZZEJPJ-UHFFFAOYSA-N 0 0 314.341 3.344 10 5 DGBERN CC(C)COCCC(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC000456198192 242376181 /nfs/dbraw/zinc/37/61/81/242376181.db2.gz YAQNRUSCNMCFJJ-UHFFFAOYSA-N 0 0 323.393 3.416 10 5 DGBERN Cc1ccc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1 ZINC000103376960 284028842 /nfs/dbraw/zinc/02/88/42/284028842.db2.gz MDOKKOJMOQVYOH-CYBMUJFWSA-N 0 0 310.353 3.424 10 5 DGBERN Cc1c(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000261850165 203134563 /nfs/dbraw/zinc/13/45/63/203134563.db2.gz ZSHZULJRDUWJEQ-WQVCFCJDSA-N 0 0 318.373 3.121 10 5 DGBERN Cc1c(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000261850157 203134731 /nfs/dbraw/zinc/13/47/31/203134731.db2.gz ZSHZULJRDUWJEQ-MAZHCROVSA-N 0 0 318.373 3.121 10 5 DGBERN CC[C@@H](O)CN(Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000120800240 284178693 /nfs/dbraw/zinc/17/86/93/284178693.db2.gz FKBAMNFFMNCQEM-MRXNPFEDSA-N 0 0 300.358 3.372 10 5 DGBERN O=[N+]([O-])c1ccc(NC[C@@H](CO)c2ccccc2)c2ncccc12 ZINC000487652141 245088483 /nfs/dbraw/zinc/08/84/83/245088483.db2.gz GDMQPPGCSXKCAL-AWEZNQCLSA-N 0 0 323.352 3.331 10 5 DGBERN O=[N+]([O-])c1ccc(NC[C@H](CO)c2ccccc2)c2ncccc12 ZINC000487652142 245089317 /nfs/dbraw/zinc/08/93/17/245089317.db2.gz GDMQPPGCSXKCAL-CQSZACIVSA-N 0 0 323.352 3.331 10 5 DGBERN CCc1ccc(C(=O)N[C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000488930266 245250449 /nfs/dbraw/zinc/25/04/49/245250449.db2.gz FGGZLEUUBBNMCM-LBPRGKRZSA-N 0 0 312.316 3.465 10 5 DGBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1onc2c1CCCC2 ZINC000008976559 181594377 /nfs/dbraw/zinc/59/43/77/181594377.db2.gz URRIQQOQFBPVPK-CMDGGOBGSA-N 0 0 313.313 3.114 10 5 DGBERN Cc1nnc(COc2ccc(Cl)cc2[N+](=O)[O-])n1C1CC1 ZINC000130544415 284442165 /nfs/dbraw/zinc/44/21/65/284442165.db2.gz KLDIOJZJFZXGKL-UHFFFAOYSA-N 0 0 308.725 3.062 10 5 DGBERN CCCCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000022064537 182307621 /nfs/dbraw/zinc/30/76/21/182307621.db2.gz FYPCGBQHFCQEEE-SWLSCSKDSA-N 0 0 308.378 3.044 10 5 in-vitro DGBERN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H]1CC=CCC1 ZINC000495174947 246242954 /nfs/dbraw/zinc/24/29/54/246242954.db2.gz RWXHKVNPZRWBEY-GFCCVEGCSA-N 0 0 304.346 3.032 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000152688026 296225587 /nfs/dbraw/zinc/22/55/87/296225587.db2.gz IFXFZKWCHUJZLG-KBPBESRZSA-N 0 0 324.764 3.032 10 5 DGBERN C[C@@H](Nc1ncc([N+](=O)[O-])s1)c1cccc(-n2ccnc2)c1 ZINC000190331820 432145289 /nfs/dbraw/zinc/14/52/89/432145289.db2.gz PVERMIPYSHVCGP-SNVBAGLBSA-N 0 0 315.358 3.410 10 5 DGBERN COC(=O)c1cnc(N2CCC(C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000302782062 284598063 /nfs/dbraw/zinc/59/80/63/284598063.db2.gz SKLDUDQXDCHNOZ-UHFFFAOYSA-N 0 0 321.377 3.039 10 5 DGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000152082342 284600046 /nfs/dbraw/zinc/60/00/46/284600046.db2.gz JGTSXSBNTVUBKS-SJORKVTESA-N 0 0 316.401 3.470 10 5 DGBERN O=C(c1cccc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000039254682 183015860 /nfs/dbraw/zinc/01/58/60/183015860.db2.gz MKSXQVDCGOBPNL-UHFFFAOYSA-N 0 0 306.661 3.387 10 5 DGBERN COc1ccc(Cl)cc1Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000040571159 183103897 /nfs/dbraw/zinc/10/38/97/183103897.db2.gz CBLRSLSKGWSVSD-UHFFFAOYSA-N 0 0 315.116 3.444 10 5 DGBERN CC(C)c1ccc(Nc2[nH]cnc(=NN(C)C)c2[N+](=O)[O-])cc1 ZINC000040594501 183106543 /nfs/dbraw/zinc/10/65/43/183106543.db2.gz PMAIQOZYFWYHCU-UHFFFAOYSA-N 0 0 316.365 3.140 10 5 DGBERN CCCNc1ncnc(Nc2ccccc2OCC)c1[N+](=O)[O-] ZINC000040597213 183107152 /nfs/dbraw/zinc/10/71/52/183107152.db2.gz VRNNBTADTUCULM-UHFFFAOYSA-N 0 0 317.349 3.349 10 5 DGBERN CCNc1ncnc(NCc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040596397 183107157 /nfs/dbraw/zinc/10/71/57/183107157.db2.gz XMYZRQNUYTZHFS-UHFFFAOYSA-N 0 0 307.741 3.082 10 5 DGBERN CC(C)CN(CC(C)C)c1ncnc(NC(C)C)c1[N+](=O)[O-] ZINC000040597364 183107549 /nfs/dbraw/zinc/10/75/49/183107549.db2.gz JRWPUUQVOAWEEI-UHFFFAOYSA-N 0 0 309.414 3.324 10 5 DGBERN O=[N+]([O-])c1c(Nc2ccc(F)c(F)c2)ncnc1N1CCCC1 ZINC000040609308 183108577 /nfs/dbraw/zinc/10/85/77/183108577.db2.gz QQYVBBYGTDHBOF-UHFFFAOYSA-N 0 0 321.287 3.007 10 5 DGBERN Cc1ccc(Sc2ncnc(N3CCCC3)c2[N+](=O)[O-])cc1 ZINC000040609123 183109147 /nfs/dbraw/zinc/10/91/47/183109147.db2.gz HIQXSFJHJHVEOD-UHFFFAOYSA-N 0 0 316.386 3.445 10 5 DGBERN CC(C)N(CC1CC1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000042599806 183289541 /nfs/dbraw/zinc/28/95/41/183289541.db2.gz KVOGOEOHKSUJEP-UHFFFAOYSA-N 0 0 314.183 3.377 10 5 DGBERN CCN(c1ccc(Br)cc1[N+](=O)[O-])[C@H](C)COC ZINC000042801698 183310469 /nfs/dbraw/zinc/31/04/69/183310469.db2.gz VDSKUHUQMOGJAU-SECBINFHSA-N 0 0 317.183 3.219 10 5 DGBERN CC(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000043596710 183375463 /nfs/dbraw/zinc/37/54/63/183375463.db2.gz XMMHIEICPPCENH-SECBINFHSA-N 0 0 317.183 3.176 10 5 DGBERN O=C(NC[C@H]1C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000110456262 194330955 /nfs/dbraw/zinc/33/09/55/194330955.db2.gz LHBHVQDMVIOYRF-NEPJUHHUSA-N 0 0 302.355 3.190 10 5 DGBERN Cc1c(NC(=O)N[C@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000058605937 184124582 /nfs/dbraw/zinc/12/45/82/184124582.db2.gz DNMHLIDHZHFFBS-ZDUSSCGKSA-N 0 0 313.313 3.158 10 5 DGBERN Cc1cnc(CNc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000061321729 184168498 /nfs/dbraw/zinc/16/84/98/184168498.db2.gz JMXJXQYLRWLQOP-UHFFFAOYSA-N 0 0 323.150 3.068 10 5 DGBERN CC(=O)C[C@H]1c2ccccc2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000064873831 184305835 /nfs/dbraw/zinc/30/58/35/184305835.db2.gz YQQIAEDZPCGEAC-INIZCTEOSA-N 0 0 310.309 3.275 10 5 DGBERN O=[N+]([O-])c1cccnc1NCCCCOCc1ccccc1 ZINC000065229550 184316037 /nfs/dbraw/zinc/31/60/37/184316037.db2.gz PLZSFUZWRRZQGG-UHFFFAOYSA-N 0 0 301.346 3.399 10 5 DGBERN Cc1ccc(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000117743532 194844549 /nfs/dbraw/zinc/84/45/49/194844549.db2.gz YZPYGJPHCDMWKO-UHFFFAOYSA-N 0 0 322.748 3.351 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000091901076 252615487 /nfs/dbraw/zinc/61/54/87/252615487.db2.gz OIOBFNYHGZXTQD-QWRGUYRKSA-N 0 0 307.350 3.256 10 5 DGBERN C[C@H]1C[C@H](C)CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000119791350 195037963 /nfs/dbraw/zinc/03/79/63/195037963.db2.gz XFQBCYWVDUNNQF-QWRGUYRKSA-N 0 0 301.346 3.194 10 5 DGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H]1CCC[C@@H]1O ZINC000089167731 285086016 /nfs/dbraw/zinc/08/60/16/285086016.db2.gz AWFDWXSEZAMMRS-UFBFGSQYSA-N 0 0 304.268 3.187 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@H]2O)c(Br)c1 ZINC000052006119 285136012 /nfs/dbraw/zinc/13/60/12/285136012.db2.gz OWVOTMZCSWFWGZ-NWDGAFQWSA-N 0 0 315.167 3.073 10 5 DGBERN CO[C@H](C)c1nc(CN(C)c2nccc(C)c2[N+](=O)[O-])cs1 ZINC000301557402 533122776 /nfs/dbraw/zinc/12/27/76/533122776.db2.gz NSIGFMOTXYFMCG-SNVBAGLBSA-N 0 0 322.390 3.099 10 5 DGBERN O=[N+]([O-])c1ccccc1NCc1ccn(Cc2ccccc2)n1 ZINC000343151833 254106842 /nfs/dbraw/zinc/10/68/42/254106842.db2.gz BZJNFISRKPBMFV-UHFFFAOYSA-N 0 0 308.341 3.452 10 5 DGBERN O=[N+]([O-])c1cnc(Nc2cccc(OC3CCCC3)c2)nc1 ZINC000302166584 285277121 /nfs/dbraw/zinc/27/71/21/285277121.db2.gz RQBNRXJALWVSHL-UHFFFAOYSA-N 0 0 300.318 3.450 10 5 DGBERN Cc1cncn1C1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000588037851 400181862 /nfs/dbraw/zinc/18/18/62/400181862.db2.gz JTVMRTSIVLVTBT-UHFFFAOYSA-N 0 0 300.362 3.250 10 5 DGBERN Cc1cc(C)n(CC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000091482078 400123013 /nfs/dbraw/zinc/12/30/13/400123013.db2.gz WDCTWOUCGUWBRG-UHFFFAOYSA-N 0 0 314.389 3.325 10 5 DGBERN Cc1ccc(OCC(=O)Nc2cc(F)cc(F)c2)c([N+](=O)[O-])c1 ZINC000011066621 400139059 /nfs/dbraw/zinc/13/90/59/400139059.db2.gz FBQMEYWQUZJJEE-UHFFFAOYSA-N 0 0 322.267 3.199 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCc1cccc(F)c1 ZINC000068178566 400241000 /nfs/dbraw/zinc/24/10/00/400241000.db2.gz YRRWPRJBIDFMID-UHFFFAOYSA-N 0 0 316.332 3.405 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(Oc2ccc3c[nH]nc3c2)c1 ZINC000092665928 400191630 /nfs/dbraw/zinc/19/16/30/400191630.db2.gz KOICZDNLZQPPMO-UHFFFAOYSA-N 0 0 303.249 3.411 10 5 DGBERN CCCc1nnc(Sc2cc(OC)cc(F)c2[N+](=O)[O-])o1 ZINC000092685186 400194296 /nfs/dbraw/zinc/19/42/96/400194296.db2.gz WEOUVSWZJJJKAM-UHFFFAOYSA-N 0 0 313.310 3.229 10 5 DGBERN Cc1nc(N[C@@H](CO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000092960899 400216083 /nfs/dbraw/zinc/21/60/83/400216083.db2.gz SNHORPUBMNMZAY-LBPRGKRZSA-N 0 0 307.737 3.097 10 5 DGBERN O=[N+]([O-])c1cc(OC(F)(F)F)cc(F)c1Br ZINC000396049412 400282025 /nfs/dbraw/zinc/28/20/25/400282025.db2.gz DUQBJNKAVFIQNZ-UHFFFAOYSA-N 0 0 303.993 3.395 10 5 DGBERN COC(=O)c1cc(Oc2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000113260865 400379492 /nfs/dbraw/zinc/37/94/92/400379492.db2.gz UGAHDGXZZCHDDB-UHFFFAOYSA-N 0 0 303.270 3.182 10 5 DGBERN O=[N+]([O-])[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000114031924 400385695 /nfs/dbraw/zinc/38/56/95/400385695.db2.gz REGUWZVPUVLAMT-DLBZAZTESA-N 0 0 300.333 3.070 10 5 DGBERN CN(Cc1cn(C)nc1C(F)(F)F)c1ccc([N+](=O)[O-])s1 ZINC000611001625 400336864 /nfs/dbraw/zinc/33/68/64/400336864.db2.gz PARZYJVUVJSAEA-UHFFFAOYSA-N 0 0 320.296 3.045 10 5 DGBERN CC1(C)CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C1CC1 ZINC000589965109 400342774 /nfs/dbraw/zinc/34/27/74/400342774.db2.gz KRLAVOWRZYTWKP-HNNXBMFYSA-N 0 0 324.327 3.063 10 5 DGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(C)o2)c1 ZINC000031336387 400345209 /nfs/dbraw/zinc/34/52/09/400345209.db2.gz KAEQNFGFGUSHCD-UHFFFAOYSA-N 0 0 320.370 3.490 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Cc1ccccc1 ZINC000112001471 400369503 /nfs/dbraw/zinc/36/95/03/400369503.db2.gz DHYGHFYSMZBDBJ-GFCCVEGCSA-N 0 0 314.341 3.421 10 5 DGBERN C[C@@H](C(=O)NC[C@@H](C)c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000617746069 400444991 /nfs/dbraw/zinc/44/49/91/400444991.db2.gz YINKQISSFKVBQV-CHWSQXEVSA-N 0 0 313.357 3.013 10 5 DGBERN Cc1cnc(N2CCC(c3ccc(C)nc3)CC2)c([N+](=O)[O-])c1 ZINC000611931936 400465784 /nfs/dbraw/zinc/46/57/84/400465784.db2.gz XONBNVDNJTYGJD-UHFFFAOYSA-N 0 0 312.373 3.386 10 5 DGBERN C/C(=C/c1nc(C[C@@H]2CCCO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000612002961 400472492 /nfs/dbraw/zinc/47/24/92/400472492.db2.gz UGHYPNWXFNNARF-FPAJZGIOSA-N 0 0 315.329 3.260 10 5 DGBERN CC[C@@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1nccs1 ZINC000131380987 400549213 /nfs/dbraw/zinc/54/92/13/400549213.db2.gz LCOXBOUOUCUTJO-GFCCVEGCSA-N 0 0 305.359 3.241 10 5 DGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)c1nccs1 ZINC000131567294 400552161 /nfs/dbraw/zinc/55/21/61/400552161.db2.gz MJRXYPVLQIRULG-MRVPVSSYSA-N 0 0 311.388 3.302 10 5 DGBERN C[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)CC(F)F ZINC000591961152 400588085 /nfs/dbraw/zinc/58/80/85/400588085.db2.gz AGTCEUGKWGDIDJ-ZCFIWIBFSA-N 0 0 302.306 3.303 10 5 DGBERN C[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)CC(F)F ZINC000591961132 400588197 /nfs/dbraw/zinc/58/81/97/400588197.db2.gz AGTCEUGKWGDIDJ-LURJTMIESA-N 0 0 302.306 3.303 10 5 DGBERN CC[C@H]([C@@H](C)CC(=O)Nc1ccc(C#N)c(Cl)c1)[N+](=O)[O-] ZINC000150253266 400664835 /nfs/dbraw/zinc/66/48/35/400664835.db2.gz QGNJSFFGLQZFJK-TVQRCGJNSA-N 0 0 309.753 3.232 10 5 DGBERN COCC[C@H]1CCCCN(c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000613433681 400719457 /nfs/dbraw/zinc/71/94/57/400719457.db2.gz FAJCYAGPXQWFRZ-CYBMUJFWSA-N 0 0 308.378 3.246 10 5 DGBERN CC[C@@H](NC(=O)[C@@H](C)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000155211913 400701369 /nfs/dbraw/zinc/70/13/69/400701369.db2.gz ZQOQWEOQOBXSJK-BLLLJJGKSA-N 0 0 320.389 3.225 10 5 DGBERN CSCCCCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000077348988 400710849 /nfs/dbraw/zinc/71/08/49/400710849.db2.gz FSQQOFQPXUFYMF-NSHDSACASA-N 0 0 311.407 3.098 10 5 DGBERN CCOc1ccc2c(c1)[C@H](Nc1ccc([N+](=O)[O-])nc1)CCO2 ZINC000613898710 400809498 /nfs/dbraw/zinc/80/94/98/400809498.db2.gz DUAYHQSMUZUOJQ-CQSZACIVSA-N 0 0 315.329 3.324 10 5 DGBERN Cc1c(C(=O)Nc2nccn2CC(C)C)cccc1[N+](=O)[O-] ZINC000171009926 400780379 /nfs/dbraw/zinc/78/03/79/400780379.db2.gz GNDMINLRAFTCEL-UHFFFAOYSA-N 0 0 302.334 3.008 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)NCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000054645501 400833324 /nfs/dbraw/zinc/83/33/24/400833324.db2.gz GGGTUQRRDZOBEW-GFCCVEGCSA-N 0 0 317.345 3.099 10 5 DGBERN Cc1cnc(N2CCC[C@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000614150332 400844273 /nfs/dbraw/zinc/84/42/73/400844273.db2.gz QLBWHMXZQIVKQU-UWVGGRQHSA-N 0 0 303.284 3.465 10 5 DGBERN CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1F ZINC000055918459 400901576 /nfs/dbraw/zinc/90/15/76/400901576.db2.gz GIIKWVDKISUZKF-UHFFFAOYSA-N 0 0 319.292 3.088 10 5 DGBERN O=[N+]([O-])c1cnc(N2CCC[C@@]3(CCCOC3)C2)c(Cl)c1 ZINC000080688543 400981302 /nfs/dbraw/zinc/98/13/02/400981302.db2.gz KOJVCUVAZJDHMA-CQSZACIVSA-N 0 0 311.769 3.040 10 5 DGBERN Cc1cc(Nc2ccn(Cc3ccccc3)n2)ncc1[N+](=O)[O-] ZINC000080600730 400966635 /nfs/dbraw/zinc/96/66/35/400966635.db2.gz MSEXWAKVUKJOPP-UHFFFAOYSA-N 0 0 309.329 3.287 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCSCC1 ZINC000085620200 401171467 /nfs/dbraw/zinc/17/14/67/401171467.db2.gz QXQDLQSLBFHFSE-UHFFFAOYSA-N 0 0 309.391 3.182 10 5 DGBERN COc1cc(N2CCC[C@]3(CCCOC3)C2)c([N+](=O)[O-])cc1F ZINC000408262009 286229445 /nfs/dbraw/zinc/22/94/45/286229445.db2.gz USKBPKROZWYWHL-INIZCTEOSA-N 0 0 324.352 3.140 10 5 DGBERN CC(=O)[C@H](C)CCCCC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000360527028 286495262 /nfs/dbraw/zinc/49/52/62/286495262.db2.gz ICTZLGZDYRQGSZ-GFCCVEGCSA-N 0 0 320.389 3.305 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000172243784 164655631 /nfs/dbraw/zinc/65/56/31/164655631.db2.gz DXFPBKIPJACJRB-CYBMUJFWSA-N 0 0 316.313 3.174 10 5 DGBERN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000174330500 164724356 /nfs/dbraw/zinc/72/43/56/164724356.db2.gz DAASWHHCIXUVOV-SNVBAGLBSA-N 0 0 320.295 3.407 10 5 DGBERN CSCCCCNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000186527229 165048808 /nfs/dbraw/zinc/04/88/08/165048808.db2.gz LNQMITAPYZHTRX-UHFFFAOYSA-N 0 0 314.432 3.190 10 5 DGBERN CSCCCCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191358135 165246129 /nfs/dbraw/zinc/24/61/29/165246129.db2.gz GCEUGFNMWNBSNJ-UHFFFAOYSA-N 0 0 311.407 3.476 10 5 DGBERN CCCN(Cc1csc([N+](=O)[O-])c1)[C@@H](CC)C(=O)OCC ZINC000191672837 165265486 /nfs/dbraw/zinc/26/54/86/165265486.db2.gz VCPBZTOYIIYFQR-LBPRGKRZSA-N 0 0 314.407 3.210 10 5 DGBERN O=[N+]([O-])c1cnc(N2CCC[C@H]2C[C@@H](O)c2ccccc2)s1 ZINC000192471771 165293316 /nfs/dbraw/zinc/29/33/16/165293316.db2.gz KMNBKTHVBPXMAT-QWHCGFSZSA-N 0 0 319.386 3.144 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C1CCCC1 ZINC000193784155 165331357 /nfs/dbraw/zinc/33/13/57/165331357.db2.gz JKPXVAOOQGYKAK-HNNXBMFYSA-N 0 0 303.362 3.093 10 5 DGBERN Cc1c(NC(=O)[C@@H]2CCCc3cccnc32)cccc1[N+](=O)[O-] ZINC000193868994 165333013 /nfs/dbraw/zinc/33/30/13/165333013.db2.gz UBRWUYXHQWWSLQ-CYBMUJFWSA-N 0 0 311.341 3.357 10 5 DGBERN CC(C)C[C@@H](CO)N(C)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000190807715 432190749 /nfs/dbraw/zinc/19/07/49/432190749.db2.gz DZZYQBLHQBNOTI-AWEZNQCLSA-N 0 0 322.405 3.197 10 5 DGBERN CC(C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000130650876 196098850 /nfs/dbraw/zinc/09/88/50/196098850.db2.gz IKLCAGKOGCPOOY-MRVPVSSYSA-N 0 0 315.167 3.132 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@](C)(O)CCC(C)C ZINC000162804595 228259696 /nfs/dbraw/zinc/25/96/96/228259696.db2.gz NSWBZSFPUMOZMO-MRXNPFEDSA-N 0 0 323.393 3.212 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C ZINC000176681396 228318314 /nfs/dbraw/zinc/31/83/14/228318314.db2.gz UKNWAJLXNJBHQI-IINYFYTJSA-N 0 0 305.378 3.243 10 5 DGBERN O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc2cc[nH]c2c1 ZINC000194849755 228599301 /nfs/dbraw/zinc/59/93/01/228599301.db2.gz RBMWKQSMUQDWQV-UHFFFAOYSA-N 0 0 310.313 3.127 10 5 DGBERN Cn1cc(C2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cn1 ZINC000299631769 229282583 /nfs/dbraw/zinc/28/25/83/229282583.db2.gz TVHRIYZHUMTQOQ-UHFFFAOYSA-N 0 0 320.780 3.366 10 5 DGBERN CO[C@@H](C)c1nc(CN(C)c2cc(C)c([N+](=O)[O-])cn2)cs1 ZINC000301564302 229748422 /nfs/dbraw/zinc/74/84/22/229748422.db2.gz POKTYCMIDGMDQE-JTQLQIEISA-N 0 0 322.390 3.099 10 5 DGBERN Cc1cccc(NC(=O)COc2cc(C)c([N+](=O)[O-])cc2F)c1 ZINC000185682827 263641538 /nfs/dbraw/zinc/64/15/38/263641538.db2.gz MCFDNSRXTITBPS-UHFFFAOYSA-N 0 0 318.304 3.368 10 5 DGBERN Cc1sc(C(=O)N2CCc3cccc(C)c32)cc1[N+](=O)[O-] ZINC000193322785 263791954 /nfs/dbraw/zinc/79/19/54/263791954.db2.gz QTVSYJRFOFXWFM-UHFFFAOYSA-N 0 0 302.355 3.476 10 5 DGBERN CC[C@@H](NC(=O)[C@@H](C)CCCOC)c1cccc([N+](=O)[O-])c1 ZINC000182809314 432232266 /nfs/dbraw/zinc/23/22/66/432232266.db2.gz BDJGIDNBEGJPOK-SWLSCSKDSA-N 0 0 308.378 3.225 10 5 DGBERN O=[N+]([O-])c1ccc(-c2nccn2C[C@H](O)CC2CCCC2)cc1 ZINC000191310118 432247904 /nfs/dbraw/zinc/24/79/04/432247904.db2.gz AQKQMCMDWUIIEW-MRXNPFEDSA-N 0 0 315.373 3.400 10 5 DGBERN CCC1(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000183075023 432256659 /nfs/dbraw/zinc/25/66/59/432256659.db2.gz XJKSUWXFOFTICR-UHFFFAOYSA-N 0 0 314.288 3.259 10 5 DGBERN Cc1cc(N2Cc3ccccc3N(C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000301658169 274714249 /nfs/dbraw/zinc/71/42/49/274714249.db2.gz LUEXUGTWAJBFBT-CYBMUJFWSA-N 0 0 312.373 3.143 10 5 DGBERN O=[N+]([O-])c1ccc(F)cc1N1CCN(Cc2ccccc2)CC1 ZINC000302860451 275035880 /nfs/dbraw/zinc/03/58/80/275035880.db2.gz PAUJAMCKFHMNIO-UHFFFAOYSA-N 0 0 315.348 3.056 10 5 DGBERN CC(C)c1n[nH]c(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)c1[N+](=O)[O-] ZINC000408173670 276041182 /nfs/dbraw/zinc/04/11/82/276041182.db2.gz MNRCNVYKIWHCEH-BZNIZROVSA-N 0 0 320.393 3.094 10 5 DGBERN CCN1C(=O)S/C(=C\C=C\c2ccccc2[N+](=O)[O-])C1=O ZINC000001129740 276145948 /nfs/dbraw/zinc/14/59/48/276145948.db2.gz QKPNHYHIGOGSAW-RTFKAXJXSA-N 0 0 304.327 3.207 10 5 DGBERN CNc1c(C(=O)N[C@@H](C)c2cccs2)cccc1[N+](=O)[O-] ZINC000161434410 277301592 /nfs/dbraw/zinc/30/15/92/277301592.db2.gz BEKPNLPXVLNOIK-VIFPVBQESA-N 0 0 305.359 3.189 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccoc1Cl ZINC000192272458 279013048 /nfs/dbraw/zinc/01/30/48/279013048.db2.gz VJMFMZZZERTNMV-MRVPVSSYSA-N 0 0 306.705 3.433 10 5 DGBERN CCC1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074385548 431418586 /nfs/dbraw/zinc/41/85/86/431418586.db2.gz AMVDDEBIUMHPJU-UHFFFAOYSA-N 0 0 306.362 3.059 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCCC[C@@H]1c1nccs1 ZINC000115367069 431450819 /nfs/dbraw/zinc/45/08/19/431450819.db2.gz COISREYGYVZKPG-SECBINFHSA-N 0 0 307.331 3.012 10 5 DGBERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000117578585 431570763 /nfs/dbraw/zinc/57/07/63/431570763.db2.gz YYODXTUOAJJTKD-BJOHPYRUSA-N 0 0 316.288 3.237 10 5 DGBERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000117578532 431569689 /nfs/dbraw/zinc/56/96/89/431569689.db2.gz HZXGNMQDZPZLQP-PSLIRLAXSA-N 0 0 316.288 3.237 10 5 DGBERN O=[N+]([O-])[C@H]1[C@@H](c2ccccc2)Oc2ccc(Cl)cc2[C@@H]1O ZINC000215977675 280353280 /nfs/dbraw/zinc/35/32/80/280353280.db2.gz QPNVLFYMEAMXSZ-QLFBSQMISA-N 0 0 305.717 3.152 10 5 DGBERN O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160672818 280358283 /nfs/dbraw/zinc/35/82/83/280358283.db2.gz NYROURJVHZPJCH-IAQYHMDHSA-N 0 0 310.781 3.380 10 5 DGBERN O=[N+]([O-])c1ccc(F)cc1N1CCCN(c2ccccc2)CC1 ZINC000302825105 280365261 /nfs/dbraw/zinc/36/52/61/280365261.db2.gz YFLINBAXQRNWMQ-UHFFFAOYSA-N 0 0 315.348 3.451 10 5 DGBERN O=[N+]([O-])c1cnc(N2CC[C@@H]3CCC[C@@H]32)c(Br)c1 ZINC000408363305 280380902 /nfs/dbraw/zinc/38/09/02/280380902.db2.gz VYBMJYPSGDNPJX-KWQFWETISA-N 0 0 312.167 3.131 10 5 DGBERN COC(=O)c1ccc(CN(C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000077327372 431583653 /nfs/dbraw/zinc/58/36/53/431583653.db2.gz PDNZJOSXXNXCLF-UHFFFAOYSA-N 0 0 320.370 3.075 10 5 DGBERN CCC1CCC(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000078233551 431650241 /nfs/dbraw/zinc/65/02/41/431650241.db2.gz RYHIPBBMITTWPD-UHFFFAOYSA-N 0 0 306.362 3.302 10 5 DGBERN CCOC(=O)c1ccc(NCc2csc([N+](=O)[O-])c2)cc1 ZINC000037562693 431847553 /nfs/dbraw/zinc/84/75/53/431847553.db2.gz GOHZWNNTDGCSHT-UHFFFAOYSA-N 0 0 306.343 3.445 10 5 DGBERN NC(=O)c1ccc(NCc2csc([N+](=O)[O-])c2)cc1Cl ZINC000037563046 431847684 /nfs/dbraw/zinc/84/76/84/431847684.db2.gz WUIDXZCDUYCVFZ-UHFFFAOYSA-N 0 0 311.750 3.021 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccn(CCC(C)C)n1 ZINC000122926357 431849134 /nfs/dbraw/zinc/84/91/34/431849134.db2.gz XUIBDBXTVIZHMR-UHFFFAOYSA-N 0 0 316.361 3.398 10 5 DGBERN CC[C@H](NC(=O)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000090466305 431892088 /nfs/dbraw/zinc/89/20/88/431892088.db2.gz IYUWOJDFPCCZDO-INIZCTEOSA-N 0 0 314.341 3.485 10 5 DGBERN COc1ccc(NC(=O)c2cccc(OC)c2F)c([N+](=O)[O-])c1 ZINC000090444475 431892212 /nfs/dbraw/zinc/89/22/12/431892212.db2.gz ASPMFCIBZCSQHI-UHFFFAOYSA-N 0 0 320.276 3.003 10 5 DGBERN CC[C@H](NC(=O)c1[nH]nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000090466274 431892255 /nfs/dbraw/zinc/89/22/55/431892255.db2.gz BPKJSPWSGULZSZ-AWEZNQCLSA-N 0 0 324.340 3.352 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(NCc2ccc(F)c(C[NH+](C)C)c2)n1 ZINC000126220065 431945046 /nfs/dbraw/zinc/94/50/46/431945046.db2.gz VODGDEQVKDCXJI-UHFFFAOYSA-N 0 0 318.352 3.111 10 5 DGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@H]1CCCC[C@H]1O ZINC000052007373 431953698 /nfs/dbraw/zinc/95/36/98/431953698.db2.gz GXCRZRZENXLSNT-CMPLNLGQSA-N 0 0 304.268 3.329 10 5 DGBERN Cc1cc([N+](=O)[O-])cn(Cc2ccc(Cl)cc2Cl)c1=O ZINC000096778345 431955881 /nfs/dbraw/zinc/95/58/81/431955881.db2.gz FLEUCWUTOJBWSJ-UHFFFAOYSA-N 0 0 313.140 3.420 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000052895510 431959568 /nfs/dbraw/zinc/95/95/68/431959568.db2.gz VMPGJQPZUOHFKA-DOMZBBRYSA-N 0 0 303.362 3.093 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117578487 281018225 /nfs/dbraw/zinc/01/82/25/281018225.db2.gz KBHPWLLPVBRWDE-MEDUHNTESA-N 0 0 312.325 3.406 10 5 DGBERN Cc1cccc2c1OCC[C@H]2NC(=O)c1csc([N+](=O)[O-])c1 ZINC000190120633 281290696 /nfs/dbraw/zinc/29/06/96/281290696.db2.gz ATEPDWNIJFUZDC-GFCCVEGCSA-N 0 0 318.354 3.218 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000183317388 432281626 /nfs/dbraw/zinc/28/16/26/432281626.db2.gz ZWBYWHYXDRCUSB-UHFFFAOYSA-N 0 0 300.362 3.006 10 5 DGBERN CCCC[C@H](CCC)CNC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191663358 432289598 /nfs/dbraw/zinc/28/95/98/432289598.db2.gz KOEGMFIHWSERQL-LBPRGKRZSA-N 0 0 310.398 3.148 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1COc2ccccc21 ZINC000183408312 432291254 /nfs/dbraw/zinc/29/12/54/432291254.db2.gz IMXLMWOFPIFPCA-TYZQSYOASA-N 0 0 324.336 3.248 10 5 DGBERN Cc1cc(C)cc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)c1 ZINC000183749190 432322355 /nfs/dbraw/zinc/32/23/55/432322355.db2.gz ILRRBXCDSGWTCY-CYBMUJFWSA-N 0 0 314.341 3.434 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])s1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000174531926 432354332 /nfs/dbraw/zinc/35/43/32/432354332.db2.gz UQFWYHMKVHLJIY-LBPRGKRZSA-N 0 0 324.402 3.220 10 5 DGBERN COc1cc(CN[C@@H](C)c2ccc(C)o2)c([N+](=O)[O-])cc1F ZINC000184406211 432388010 /nfs/dbraw/zinc/38/80/10/432388010.db2.gz ZNQXZDBZSCCLNO-JTQLQIEISA-N 0 0 308.309 3.495 10 5 DGBERN Cn1cc([C@H]2CCCN2Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000153763986 432441766 /nfs/dbraw/zinc/44/17/66/432441766.db2.gz TZRNHFKLRWRQAC-CQSZACIVSA-N 0 0 320.780 3.319 10 5 DGBERN COc1ccc([N+](=O)[O-])c(C(=O)NC/C=C\c2ccccc2)c1 ZINC000255335063 432409612 /nfs/dbraw/zinc/40/96/12/432409612.db2.gz IUYIFBIXLLJSMQ-YVMONPNESA-N 0 0 312.325 3.047 10 5 DGBERN O=C(c1cccc([N+](=O)[O-])c1)N1Cc2ccccc2C2(CC2)C1 ZINC000184692389 432422733 /nfs/dbraw/zinc/42/27/33/432422733.db2.gz SVGNUSLOXAKNKV-UHFFFAOYSA-N 0 0 308.337 3.282 10 5 DGBERN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000262308287 432481556 /nfs/dbraw/zinc/48/15/56/432481556.db2.gz PMFARUGTHADSNC-CHWSQXEVSA-N 0 0 306.362 3.233 10 5 DGBERN CC[C@H](NC(=O)NC1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000176066823 432490236 /nfs/dbraw/zinc/49/02/36/432490236.db2.gz CAQNYXUDOVCJBL-AWEZNQCLSA-N 0 0 323.418 3.241 10 5 DGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCOC[C@@H]1C ZINC000194132528 432526326 /nfs/dbraw/zinc/52/63/26/432526326.db2.gz TZMOEMDPDUNCFX-BBRMVZONSA-N 0 0 320.389 3.004 10 5 DGBERN CC[C@H](NC(=O)N(C)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000176689799 432543978 /nfs/dbraw/zinc/54/39/78/432543978.db2.gz JSNDXORKCNWOIW-HNNXBMFYSA-N 0 0 317.345 3.481 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000195227483 432612172 /nfs/dbraw/zinc/61/21/72/432612172.db2.gz VPFOYORAGLHAQD-LLVKDONJSA-N 0 0 314.345 3.323 10 5 DGBERN CC(C)c1nnc(COc2ccc(Cl)cc2[N+](=O)[O-])n1C ZINC000194672776 432567393 /nfs/dbraw/zinc/56/73/93/432567393.db2.gz VLQQFUBGTCVMAB-UHFFFAOYSA-N 0 0 310.741 3.079 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000194665214 432567649 /nfs/dbraw/zinc/56/76/49/432567649.db2.gz DVTMTNSLASFBPN-UHFFFAOYSA-N 0 0 324.296 3.206 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1OCCCC(=O)OC(C)(C)C ZINC000186481041 432598415 /nfs/dbraw/zinc/59/84/15/432598415.db2.gz WTVDTKZORQAQKA-UHFFFAOYSA-N 0 0 311.334 3.104 10 5 DGBERN COCc1ccc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000177860169 432668561 /nfs/dbraw/zinc/66/85/61/432668561.db2.gz UTDTWDBZEPRYCQ-NSHDSACASA-N 0 0 318.329 3.134 10 5 DGBERN Cc1ccc([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CCO2)o1 ZINC000158714073 432655242 /nfs/dbraw/zinc/65/52/42/432655242.db2.gz GLTGGBWZQTXNOW-MRXNPFEDSA-N 0 0 302.330 3.070 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)c2cn(-c3ccccc3)nn2)n1 ZINC000178265898 432712932 /nfs/dbraw/zinc/71/29/32/432712932.db2.gz XGDWYDLYNOEQLN-LBPRGKRZSA-N 0 0 324.344 3.052 10 5 DGBERN CO[C@@H]1CN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000187745893 432681913 /nfs/dbraw/zinc/68/19/13/432681913.db2.gz PQEJIVTVKNOJNC-BLLLJJGKSA-N 0 0 320.389 3.215 10 5 DGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCSC[C@H]1C ZINC000275886845 432757767 /nfs/dbraw/zinc/75/77/67/432757767.db2.gz QWDMQSQNEXHSSM-SECBINFHSA-N 0 0 314.794 3.134 10 5 DGBERN CC(C)C(C)(C)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000189283793 432774738 /nfs/dbraw/zinc/77/47/38/432774738.db2.gz VHRKBKYOAPPYBA-UHFFFAOYSA-N 0 0 303.362 3.488 10 5 DGBERN C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1=O ZINC000275435912 432727502 /nfs/dbraw/zinc/72/75/02/432727502.db2.gz VZDYTKDKKCNOAG-MRVPVSSYSA-N 0 0 302.252 3.029 10 5 DGBERN Cc1nc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)s1 ZINC000178848501 432781979 /nfs/dbraw/zinc/78/19/79/432781979.db2.gz TXTWFCRERMZDQD-VIFPVBQESA-N 0 0 319.386 3.468 10 5 DGBERN C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C(C)(C)C1 ZINC000266948590 432802436 /nfs/dbraw/zinc/80/24/36/432802436.db2.gz YUPKHXVIEALFGK-JTQLQIEISA-N 0 0 301.346 3.337 10 5 DGBERN CC(C)(C)OC1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000268279231 432860755 /nfs/dbraw/zinc/86/07/55/432860755.db2.gz QCAHNAICFHHFLD-UHFFFAOYSA-N 0 0 313.785 3.427 10 5 DGBERN O=[N+]([O-])c1ccc2nc(NC[C@H](O)C3CCCC3)ccc2c1 ZINC000301296302 433495565 /nfs/dbraw/zinc/49/55/65/433495565.db2.gz RYLVXGAAXNYJHJ-HNNXBMFYSA-N 0 0 301.346 3.106 10 5 DGBERN CCC[C@H]1C[C@@H]1Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000301441518 433555832 /nfs/dbraw/zinc/55/58/32/433555832.db2.gz MKLZPJOXPYZVNZ-FZMZJTMJSA-N 0 0 305.378 3.334 10 5 DGBERN COc1cc(NC[C@H]2Cc3ccccc3O2)c([N+](=O)[O-])cc1F ZINC000301612296 433637446 /nfs/dbraw/zinc/63/74/46/433637446.db2.gz FUAFFTJRRUDHGE-LLVKDONJSA-N 0 0 318.304 3.158 10 5 DGBERN C[C@H](CNc1nc2sccn2c1[N+](=O)[O-])Nc1ccccc1 ZINC000301546245 433602309 /nfs/dbraw/zinc/60/23/09/433602309.db2.gz FCNNDWTYOCMNFW-SNVBAGLBSA-N 0 0 317.374 3.217 10 5 DGBERN COC(=O)C(C)(C)C(C)(C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000301575410 433618894 /nfs/dbraw/zinc/61/88/94/433618894.db2.gz PWQMQPCDJQFVBG-UHFFFAOYSA-N 0 0 315.757 3.033 10 5 DGBERN CC(C)(C)[C@@H](O)CNc1cc(Br)ccc1[N+](=O)[O-] ZINC000301654397 433658916 /nfs/dbraw/zinc/65/89/16/433658916.db2.gz HMCQKZYEJDAGAY-NSHDSACASA-N 0 0 317.183 3.176 10 5 DGBERN CCS[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1 ZINC000301702971 433686783 /nfs/dbraw/zinc/68/67/83/433686783.db2.gz FEBQKLFJYUSNJD-OCCSQVGLSA-N 0 0 324.402 3.468 10 5 DGBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H]1c1cc[nH]n1 ZINC000368490725 293126879 /nfs/dbraw/zinc/12/68/79/293126879.db2.gz POYDNSMZEPBMSW-CYBMUJFWSA-N 0 0 306.753 3.308 10 5 DGBERN Cc1cccc2[nH]c(CNc3ncc([N+](=O)[O-])cc3Cl)nc21 ZINC000301858608 433762549 /nfs/dbraw/zinc/76/25/49/433762549.db2.gz CVISIAWVYHYQRZ-UHFFFAOYSA-N 0 0 317.736 3.440 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C1CC1 ZINC000376896662 433839352 /nfs/dbraw/zinc/83/93/52/433839352.db2.gz OPKAAGZSUJTHRV-PCUGXKRQSA-N 0 0 300.358 3.399 10 5 DGBERN O=[N+]([O-])c1ccc(NCCNc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000302843701 433881529 /nfs/dbraw/zinc/88/15/29/433881529.db2.gz FIEPQBUJYZMHDE-UHFFFAOYSA-N 0 0 320.280 3.166 10 5 DGBERN COC(=O)[C@H]1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2Cl)C1 ZINC000302862797 433890786 /nfs/dbraw/zinc/89/07/86/433890786.db2.gz RMFUUAIEBHSVRS-VHSXEESVSA-N 0 0 312.753 3.310 10 5 DGBERN O=C(C[C@H]1CCCN1c1ccc([N+](=O)[O-])nc1)c1cccs1 ZINC000450429960 434176773 /nfs/dbraw/zinc/17/67/73/434176773.db2.gz OKYDTIOEGXEVMD-LLVKDONJSA-N 0 0 317.370 3.293 10 5 DGBERN COCCC1(C)CN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450533861 434248375 /nfs/dbraw/zinc/24/83/75/434248375.db2.gz 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ZINC000580127191 435207337 /nfs/dbraw/zinc/20/73/37/435207337.db2.gz AQBYMBVCACRGGA-GOSISDBHSA-N 0 0 309.369 3.426 10 5 DGBERN CC1(C)CCC(Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000587984396 435293871 /nfs/dbraw/zinc/29/38/71/435293871.db2.gz NBKSKSHFWFHXPL-UHFFFAOYSA-N 0 0 316.361 3.624 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(Nc2ccc3ccc(=O)n(C)c3c2)c1 ZINC000486033349 435587411 /nfs/dbraw/zinc/58/74/11/435587411.db2.gz YJPBELOTUOHKPK-UHFFFAOYSA-N 0 0 309.325 3.499 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](C(F)(F)F)C2)n1 ZINC000408172151 301203689 /nfs/dbraw/zinc/20/36/89/301203689.db2.gz SIZWJNHGQOUOSB-JTQLQIEISA-N 0 0 303.284 3.385 10 5 DGBERN Cc1csc([C@H]2COCCN2c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000189133428 302452238 /nfs/dbraw/zinc/45/22/38/302452238.db2.gz FMFMVPHLBRCFFI-CQSZACIVSA-N 0 0 319.386 3.246 10 5 DGBERN CC(C)Cn1cc(CN2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000541235765 314001801 /nfs/dbraw/zinc/00/18/01/314001801.db2.gz VQHOXUJXFMBXEX-UHFFFAOYSA-N 0 0 314.389 3.006 10 5 DGBERN Cc1nc(N2CCC[C@@H](C(F)(F)F)[C@H]2C)ccc1[N+](=O)[O-] ZINC000547828139 314400533 /nfs/dbraw/zinc/40/05/33/314400533.db2.gz JNRJCGLPFPJBRK-NXEZZACHSA-N 0 0 303.284 3.465 10 5 DGBERN COC(=O)c1cc(C)nc(NC2CCCCCC2)c1[N+](=O)[O-] ZINC000550746100 314542322 /nfs/dbraw/zinc/54/23/22/314542322.db2.gz LMIJHUMEBPNHAQ-UHFFFAOYSA-N 0 0 307.350 3.220 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCc3cc(Br)ccc32)cn1 ZINC000567959287 315466160 /nfs/dbraw/zinc/46/61/60/315466160.db2.gz UKTSMUFOUJNRHY-UHFFFAOYSA-N 0 0 320.146 3.447 10 5 DGBERN COC(=O)c1cc(C)nc(Oc2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000568374949 315507055 /nfs/dbraw/zinc/50/70/55/315507055.db2.gz LFSODHOLSPNEJI-UHFFFAOYSA-N 0 0 324.239 3.155 10 5 DGBERN CC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1Cl ZINC000182291343 323290968 /nfs/dbraw/zinc/29/09/68/323290968.db2.gz YLLYFLGYPTZIOP-UHFFFAOYSA-N 0 0 308.677 3.296 10 5 DGBERN CC[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1nccs1 ZINC000185067252 323380657 /nfs/dbraw/zinc/38/06/57/323380657.db2.gz 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/nfs/dbraw/zinc/37/49/83/337374983.db2.gz CQIABUAYTRAECL-VIFPVBQESA-N 0 0 315.156 3.068 10 5 DGBERN COC(=O)c1ccc(F)c(CNc2cccc(F)c2[N+](=O)[O-])c1 ZINC000302127657 534168903 /nfs/dbraw/zinc/16/89/03/534168903.db2.gz BGHXBHQUQCZKHL-UHFFFAOYSA-N 0 0 322.267 3.272 10 5 DGBERN O=[N+]([O-])c1ccc(CO)cc1NC[C@H]1CCOc2ccccc21 ZINC000302062825 534881884 /nfs/dbraw/zinc/88/18/84/534881884.db2.gz SOHFLKCQZCMCAR-CYBMUJFWSA-N 0 0 314.341 3.065 10 5 DGBERN O=[N+]([O-])c1cnccc1NCCc1ccc(Br)cc1 ZINC000311459105 534889325 /nfs/dbraw/zinc/88/93/25/534889325.db2.gz LJGPSAOIJJEMET-UHFFFAOYSA-N 0 0 322.162 3.407 10 5 DGBERN O=[N+]([O-])c1cc(CN2CCC[C@@H](c3nccs3)C2)cs1 ZINC000156987877 527329944 /nfs/dbraw/zinc/32/99/44/527329944.db2.gz NXCGKJPRCYUFGW-LLVKDONJSA-N 0 0 309.416 3.492 10 5 DGBERN O=[N+]([O-])c1cc(CN2CCC[C@H](c3nccs3)C2)cs1 ZINC000156988025 527330084 /nfs/dbraw/zinc/33/00/84/527330084.db2.gz NXCGKJPRCYUFGW-NSHDSACASA-N 0 0 309.416 3.492 10 5 DGBERN CCCN(C(=O)CCOCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000441469558 527738009 /nfs/dbraw/zinc/73/80/09/527738009.db2.gz DPTFOPUXIXJKSA-UHFFFAOYSA-N 0 0 308.378 3.401 10 5 DGBERN CC1(CNc2cc(CO)ccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000302030979 527988454 /nfs/dbraw/zinc/98/84/54/527988454.db2.gz KAIYHTSZTJWEHQ-UHFFFAOYSA-N 0 0 312.369 3.304 10 5 DGBERN Cc1c2ccccc2c(C)c2c1ccc1c2[C@@H]2O[C@@H]2[C@H](O)[C@H]1O ZINC000006069417 560204991 /nfs/dbraw/zinc/20/49/91/560204991.db2.gz SZIWZGXOWBSPTO-ZGXWSNOMSA-N 0 0 306.361 3.458 10 5 in-vitro DGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)[C@H](C)Cc1ccccc1 ZINC000112001245 620784082 /nfs/dbraw/zinc/78/40/82/620784082.db2.gz ZJECFBCBMIVPQP-GFCCVEGCSA-N 0 0 315.325 3.388 10 5 DGBERN CCc1ncc(C(=O)OCCc2ccccc2[N+](=O)[O-])s1 ZINC000151234472 620432795 /nfs/dbraw/zinc/43/27/95/620432795.db2.gz UPLSUWXFUGHRFE-UHFFFAOYSA-N 0 0 306.343 3.013 10 5 DGBERN C[C@H](Oc1ccccc1)C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000151238900 620433547 /nfs/dbraw/zinc/43/35/47/620433547.db2.gz DBIZPNRMCLEFDK-ZDUSSCGKSA-N 0 0 315.325 3.148 10 5 DGBERN C[C@@H]1CC[C@@H](CCC(=O)OCCc2ccccc2[N+](=O)[O-])O1 ZINC000151269292 620434862 /nfs/dbraw/zinc/43/48/62/620434862.db2.gz FWVBDLJZMUPHOH-OCCSQVGLSA-N 0 0 307.346 3.028 10 5 DGBERN C[C@@H](OC(=O)[C@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000113656560 620934759 /nfs/dbraw/zinc/93/47/59/620934759.db2.gz NTLIKZFCZBDYLU-ABAIWWIYSA-N 0 0 313.309 3.375 10 5 DGBERN CC[C@@H]1CCC[C@H](OC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000115918879 621158870 /nfs/dbraw/zinc/15/88/70/621158870.db2.gz QVJAHRUAMFMOJA-KGLIPLIRSA-N 0 0 323.393 3.310 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1CC1(Cl)Cl ZINC000103377729 621356182 /nfs/dbraw/zinc/35/61/82/621356182.db2.gz PXOYUGFMUYWCRO-OIBJUYFYSA-N 0 0 315.156 3.066 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1CC1(Cl)Cl ZINC000103377723 621356286 /nfs/dbraw/zinc/35/62/86/621356286.db2.gz PXOYUGFMUYWCRO-XCBNKYQSSA-N 0 0 315.156 3.066 10 5 DGBERN CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(C)C)cc1OC ZINC000127546131 624439434 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O=[N+]([O-])c1cccc(CN2C[C@H]3CCC[C@H]32)c1Br ZINC000706734878 660870174 /nfs/dbraw/zinc/87/01/74/660870174.db2.gz AFAQOVULYMMRAA-MWLCHTKSSA-N 0 0 311.179 3.342 10 5 DGBERN Cc1cc(C)n([C@H](C)C(=O)Oc2c(C)cc(C)cc2[N+](=O)[O-])n1 ZINC000120245882 655539172 /nfs/dbraw/zinc/53/91/72/655539172.db2.gz DLMMGEYWWWHSND-CYBMUJFWSA-N 0 0 317.345 3.192 10 5 DGBERN CCCn1nccc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175735326 655540020 /nfs/dbraw/zinc/54/00/20/655540020.db2.gz FDVFCJHORZULSI-UHFFFAOYSA-N 0 0 308.725 3.107 10 5 DGBERN CN(Cc1ccc(Cl)nc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000177634281 655606570 /nfs/dbraw/zinc/60/65/70/655606570.db2.gz CGZUJPRSIQYQJY-UHFFFAOYSA-N 0 0 309.728 3.414 10 5 DGBERN O=[N+]([O-])c1cc(Cl)c(N[C@@H]2CC23CC(O)C3)c(Cl)c1 ZINC000724917062 655829359 /nfs/dbraw/zinc/82/93/59/655829359.db2.gz GEVQJLJGTFRUCT-VPHNTROTSA-N 0 0 303.145 3.227 10 5 DGBERN CC[C@@H](NC(=O)[C@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000177798005 655947256 /nfs/dbraw/zinc/94/72/56/655947256.db2.gz HANJRGFBOLGKCM-GHMZBOCLSA-N 0 0 317.172 3.356 10 5 DGBERN CC(C)c1cc(C(=O)O[C@@H](C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000066878562 656300274 /nfs/dbraw/zinc/30/02/74/656300274.db2.gz XMLZXUABOOKUTE-JTQLQIEISA-N 0 0 303.318 3.359 10 5 DGBERN Cc1nc(COc2ccc(C=O)cc2[N+](=O)[O-])nc2ccccc12 ZINC000074340186 661283316 /nfs/dbraw/zinc/28/33/16/661283316.db2.gz RXMHBVZEHDTZEA-UHFFFAOYSA-N 0 0 323.308 3.238 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)/C=C/c1ccccc1 ZINC000007053283 657248210 /nfs/dbraw/zinc/24/82/10/657248210.db2.gz HPALQAQKYICCJA-MDZDMXLPSA-N 0 0 318.354 3.316 10 5 DGBERN Cc1c(C(=O)OCCCOC2CCCC2)cccc1[N+](=O)[O-] ZINC000127176598 657654048 /nfs/dbraw/zinc/65/40/48/657654048.db2.gz NSRZCAGCNVDXAS-UHFFFAOYSA-N 0 0 307.346 3.409 10 5 DGBERN O=C(NCCc1ccsc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000013698204 657936835 /nfs/dbraw/zinc/93/68/35/657936835.db2.gz XRDGTVYZEFWDFH-UHFFFAOYSA-N 0 0 310.762 3.282 10 5 DGBERN C[C@H](OC(=O)CSc1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000098161115 657972539 /nfs/dbraw/zinc/97/25/39/657972539.db2.gz SDUIEOKMTOBAOE-NSHDSACASA-N 0 0 318.354 3.386 10 5 DGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC[C@@H](C)OC ZINC000155757488 658846932 /nfs/dbraw/zinc/84/69/32/658846932.db2.gz PYOFUWRMKCFEAD-SNVBAGLBSA-N 0 0 313.375 3.289 10 5 DGBERN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC1(CO)CC1 ZINC000157521971 659066885 /nfs/dbraw/zinc/06/68/85/659066885.db2.gz TXHHSWIBZZJCFK-UHFFFAOYSA-N 0 0 310.659 3.204 10 5 DGBERN CC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2C)c(F)c1 ZINC000171210383 659267054 /nfs/dbraw/zinc/26/70/54/659267054.db2.gz FKNOGDHFOPFJGH-UHFFFAOYSA-N 0 0 317.272 3.464 10 5 DGBERN Cc1cccc2c1CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)C2 ZINC000171545134 659287345 /nfs/dbraw/zinc/28/73/45/659287345.db2.gz AUFWQFBGZACPMX-UHFFFAOYSA-N 0 0 310.353 3.410 10 5 DGBERN C[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccnc1 ZINC000174022898 659408890 /nfs/dbraw/zinc/40/88/90/659408890.db2.gz XYBYESKIJFBGST-SECBINFHSA-N 0 0 305.721 3.385 10 5 DGBERN C[C@@H](OC(=O)CCC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000174108656 659414678 /nfs/dbraw/zinc/41/46/78/659414678.db2.gz MTZHANPZWUHYQT-GFCCVEGCSA-N 0 0 307.346 3.406 10 5 DGBERN COc1cccc(C(=O)Oc2cc([N+](=O)[O-])ccc2C)c1F ZINC000090511817 659682120 /nfs/dbraw/zinc/68/21/20/659682120.db2.gz GLJBNOSHVAMPOD-UHFFFAOYSA-N 0 0 305.261 3.270 10 5 DGBERN COc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000174842667 659870853 /nfs/dbraw/zinc/87/08/53/659870853.db2.gz LQTYLKIHYXNWAS-UHFFFAOYSA-N 0 0 317.297 3.140 10 5 DGBERN Cc1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1C ZINC000064241683 659878083 /nfs/dbraw/zinc/87/80/83/659878083.db2.gz BIUOSCDSLBVBFB-UHFFFAOYSA-N 0 0 313.356 3.041 10 5 DGBERN Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1C ZINC000064240847 659878218 /nfs/dbraw/zinc/87/82/18/659878218.db2.gz FULYLAFZTGWBAH-UHFFFAOYSA-N 0 0 313.356 3.041 10 5 DGBERN CSc1ccc(C(=O)O[C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000174954180 659913763 /nfs/dbraw/zinc/91/37/63/659913763.db2.gz NFFUYPXFQDMQOP-ZCFIWIBFSA-N 0 0 309.265 3.424 10 5 DGBERN CN(Cc1ccc(Cl)nc1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000155649725 661850284 /nfs/dbraw/zinc/85/02/84/661850284.db2.gz VJSGGINZVKPXHI-UHFFFAOYSA-N 0 0 323.711 3.055 10 5 DGBERN Cc1sc(C(=O)N(CC(F)(F)F)C2CC2)cc1[N+](=O)[O-] ZINC000194286718 662162511 /nfs/dbraw/zinc/16/25/11/662162511.db2.gz YZTOJXXBZRNBCD-UHFFFAOYSA-N 0 0 308.281 3.132 10 5 DGBERN C[C@@H]1CC[C@H](C)N(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000088713342 662233935 /nfs/dbraw/zinc/23/39/35/662233935.db2.gz LTPJYNIJZXVXTJ-BDAKNGLRSA-N 0 0 311.769 3.091 10 5 DGBERN O=C(OCc1ccc([N+](=O)[O-])cc1)c1scnc1C1CC1 ZINC000089722518 662247056 /nfs/dbraw/zinc/24/70/56/662247056.db2.gz RRMCALVAYCVSQG-UHFFFAOYSA-N 0 0 304.327 3.286 10 5 DGBERN O=[N+]([O-])c1cc(Cl)cnc1NCc1cnc(Cl)s1 ZINC000718210023 662249878 /nfs/dbraw/zinc/24/98/78/662249878.db2.gz IMCFWSSDKNDBCF-UHFFFAOYSA-N 0 0 305.146 3.365 10 5 DGBERN O=C(OCCc1ccc([N+](=O)[O-])cc1)c1scnc1C1CC1 ZINC000179090352 685110508 /nfs/dbraw/zinc/11/05/08/685110508.db2.gz LISOGFABRDJTLX-UHFFFAOYSA-N 0 0 318.354 3.328 10 5 DGBERN CC1(C)CC[C@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000129359916 1176416360 /nfs/dbraw/zinc/41/63/60/1176416360.db2.gz PZNUUVXRDCBBDH-VIFPVBQESA-N 0 0 311.769 3.139 10 5 DGBERN CCOCc1nc(Cl)cc(Oc2cccc([N+](=O)[O-])c2)n1 ZINC000129590233 1176450626 /nfs/dbraw/zinc/45/06/26/1176450626.db2.gz FJRXFLGFAKFDLU-UHFFFAOYSA-N 0 0 309.709 3.367 10 5 DGBERN COC(=O)C[C@H](C)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000388560740 1178073859 /nfs/dbraw/zinc/07/38/59/1178073859.db2.gz OYBOOBPPXCFGQS-LURJTMIESA-N 0 0 307.133 3.265 10 5 DGBERN C[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1ccncc1 ZINC000612447035 1181566193 /nfs/dbraw/zinc/56/61/93/1181566193.db2.gz SXGIGFXXKJMDAA-LLVKDONJSA-N 0 0 309.329 3.149 10 5 DGBERN CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000088312702 1197729398 /nfs/dbraw/zinc/72/93/98/1197729398.db2.gz UEIQXDLJCZLFOV-RKDXNWHRSA-N 0 0 313.785 3.385 10 5 DGBERN COc1cc(COc2cc([N+](=O)[O-])ccc2Cl)sn1 ZINC000401074080 1199383237 /nfs/dbraw/zinc/38/32/37/1199383237.db2.gz KNDWUMPFVQJBTN-UHFFFAOYSA-N 0 0 300.723 3.292 10 5 DGBERN Cc1cnc(CNc2cccc(Br)c2[N+](=O)[O-])o1 ZINC000310956682 1199733561 /nfs/dbraw/zinc/73/35/61/1199733561.db2.gz OZZOHGWALAITCO-UHFFFAOYSA-N 0 0 312.123 3.266 10 5 DGBERN Cc1cc(Oc2nn(C)cc2[N+](=O)[O-])ccc1Br ZINC000231666299 1202599855 /nfs/dbraw/zinc/59/98/55/1202599855.db2.gz RQTZZFGRYNTVQF-UHFFFAOYSA-N 0 0 312.123 3.192 10 5 DGBERN O=[N+]([O-])c1cccc(CSc2ncc[nH]2)c1Br ZINC000232481288 1202601498 /nfs/dbraw/zinc/60/14/98/1202601498.db2.gz YYJGEBIVBGWCPN-UHFFFAOYSA-N 0 0 314.164 3.373 10 5 DGBERN COc1cc(NCC(C)(C)SC)c([N+](=O)[O-])cc1OC ZINC000156859846 1202601542 /nfs/dbraw/zinc/60/15/42/1202601542.db2.gz GGZLBWLARYHMJD-UHFFFAOYSA-N 0 0 300.380 3.166 10 5 DGBERN CCOC(=O)CCN(C)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000233650706 1202602760 /nfs/dbraw/zinc/60/27/60/1202602760.db2.gz JRFLZIPBVQAVMJ-UHFFFAOYSA-N 0 0 321.160 3.291 10 5 DGBERN Cn1nc(COc2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl ZINC000707148405 1082213838 /nfs/dbraw/zinc/21/38/38/1082213838.db2.gz AJBYTJDZULKZTF-UHFFFAOYSA-N 0 0 302.117 3.214 10 5 DGBERN Cc1cc(NC/C=C\CNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000588432566 1082250215 /nfs/dbraw/zinc/25/02/15/1082250215.db2.gz JKUWEEYXCXEALB-WAYWQWQTSA-N 0 0 321.377 3.396 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1C[C@@H](C)O[C@@H](C)C1 ZINC000588441286 1082285871 /nfs/dbraw/zinc/28/58/71/1082285871.db2.gz NLKCKJUCALWMGI-FVFLEOCGSA-N 0 0 318.373 3.070 10 5 DGBERN CCC[C@H]1CN(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000588447506 1082315537 /nfs/dbraw/zinc/31/55/37/1082315537.db2.gz ZWHPPCCMVAXPCM-KVNDZABWSA-N 0 0 318.373 3.026 10 5 DGBERN Cc1cccnc1/C=C\C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000588451837 1082329086 /nfs/dbraw/zinc/32/90/86/1082329086.db2.gz CAHCOUHOIGCISE-WOLRVDTOSA-N 0 0 323.352 3.289 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000588526000 1082550956 /nfs/dbraw/zinc/55/09/56/1082550956.db2.gz SWQXFBZLGJJJAM-WQTVUKCASA-N 0 0 318.373 3.072 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1CCC(C)(C)O1 ZINC000588586989 1082778277 /nfs/dbraw/zinc/77/82/77/1082778277.db2.gz UDYDYPZIDSVKLG-KUGGDMIFSA-N 0 0 319.357 3.499 10 5 DGBERN CC[C@@H](NC(=O)CCc1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC000177341292 529593451 /nfs/dbraw/zinc/59/34/51/529593451.db2.gz SWWISAORBVIRIP-OAHLLOKOSA-N 0 0 302.330 3.388 10 5 DGBERN CCc1ccc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])cc1CC ZINC000191699419 529687857 /nfs/dbraw/zinc/68/78/57/529687857.db2.gz SFLOXABPQPNXSL-UHFFFAOYSA-N 0 0 316.361 3.188 10 5 DGBERN CCOCCN(CC)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090686692 185309694 /nfs/dbraw/zinc/30/96/94/185309694.db2.gz GSAHKXWAKFWHIK-HNNXBMFYSA-N 0 0 323.393 3.114 10 5 DGBERN CC[C@H](NC(=O)NC[C@@H](C)SC)c1cccc([N+](=O)[O-])c1 ZINC000090619283 185307068 /nfs/dbraw/zinc/30/70/68/185307068.db2.gz XQEJKESSJZDDDH-MFKMUULPSA-N 0 0 311.407 3.097 10 5 DGBERN CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl ZINC000006857067 190625170 /nfs/dbraw/zinc/62/51/70/190625170.db2.gz KKAWPHZVPHAUPY-UHFFFAOYSA-N 0 0 318.716 3.438 10 5 DGBERN CC[C@@H](NCc1noc(C(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000181551655 199315533 /nfs/dbraw/zinc/31/55/33/199315533.db2.gz SSCMIRXWASMZQT-CYBMUJFWSA-N 0 0 304.350 3.342 10 5 DGBERN CCCCO[C@@H](C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103374728 432007783 /nfs/dbraw/zinc/00/77/83/432007783.db2.gz QGQAUKDKLPTMDJ-RYUDHWBXSA-N 0 0 306.362 3.078 10 5 DGBERN CCC(CC)CN(CC)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066000500 432013972 /nfs/dbraw/zinc/01/39/72/432013972.db2.gz ZKTREDOFXZKACE-UHFFFAOYSA-N 0 0 320.436 3.103 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000177851744 186193258 /nfs/dbraw/zinc/19/32/58/186193258.db2.gz UDCYLFZNTVPSEY-QWHCGFSZSA-N 0 0 313.357 3.279 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1c1cccn1C ZINC000172252629 198065991 /nfs/dbraw/zinc/06/59/91/198065991.db2.gz YIDHGFAOZCVDQU-INIZCTEOSA-N 0 0 313.357 3.219 10 5 DGBERN CC[C@H](NC(=O)[C@H](C)CCCOC)c1cccc([N+](=O)[O-])c1 ZINC000182809328 199493467 /nfs/dbraw/zinc/49/34/67/199493467.db2.gz BDJGIDNBEGJPOK-DOMZBBRYSA-N 0 0 308.378 3.225 10 5 DGBERN Cc1cccc(NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])c1 ZINC000005109298 181204646 /nfs/dbraw/zinc/20/46/46/181204646.db2.gz LCVGZWVSDYQTFA-GFCCVEGCSA-N 0 0 300.314 3.309 10 5 DGBERN COc1cccc(NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000005864400 181291204 /nfs/dbraw/zinc/29/12/04/181291204.db2.gz TYBXXBKKJHHCIB-NSHDSACASA-N 0 0 316.313 3.009 10 5 DGBERN CC(C)OCCCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000180928748 199229248 /nfs/dbraw/zinc/22/92/48/199229248.db2.gz DUQCYOLQISRURS-UHFFFAOYSA-N 0 0 319.361 3.011 10 5 DGBERN Cn1nccc1CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180093401 432078514 /nfs/dbraw/zinc/07/85/14/432078514.db2.gz OXRFHLGDQBNPJT-SFHVURJKSA-N 0 0 322.368 3.208 10 5 DGBERN CC[C@@H](N[C@@H](C)c1nccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000188114445 200196229 /nfs/dbraw/zinc/19/62/29/200196229.db2.gz MDMJQSFWVTYBJY-SWLSCSKDSA-N 0 0 300.362 3.495 10 5 DGBERN Cc1cccc(N[C@@H]2CCc3nnc(C(C)C)n3C2)c1[N+](=O)[O-] ZINC000188372206 200235749 /nfs/dbraw/zinc/23/57/49/200235749.db2.gz PAAQSMKFNWFENZ-GFCCVEGCSA-N 0 0 315.377 3.045 10 5 DGBERN O=[N+]([O-])c1c2ccccc2cc2c1ccc1c2C=C[C@@H](O)[C@@H]1O ZINC000006118092 181314200 /nfs/dbraw/zinc/31/42/00/181314200.db2.gz HXVOYNIFZXGULL-SJLPKXTDSA-N 0 0 307.305 3.322 10 5 DGBERN Cc1sc(C(=O)Nc2cc([C@@H]3C[C@H]3C)[nH]n2)cc1[N+](=O)[O-] ZINC000194555892 201251816 /nfs/dbraw/zinc/25/18/16/201251816.db2.gz CAHUCPHKCMKZLT-HTRCEHHLSA-N 0 0 306.347 3.064 10 5 DGBERN O=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])s2)N1C1CC1 ZINC000180754525 432098482 /nfs/dbraw/zinc/09/84/82/432098482.db2.gz RXHXHKDCLHPJJD-CQSZACIVSA-N 0 0 315.354 3.385 10 5 DGBERN O=[N+]([O-])c1cnc(NCCCCOCc2ccccc2)s1 ZINC000195511893 201396346 /nfs/dbraw/zinc/39/63/46/201396346.db2.gz KUPVXROHFACVRE-UHFFFAOYSA-N 0 0 307.375 3.460 10 5 DGBERN O=C(C[C@@H]1CCCN1c1ccc([N+](=O)[O-])nc1)c1cccs1 ZINC000450429961 240700156 /nfs/dbraw/zinc/70/01/56/240700156.db2.gz OKYDTIOEGXEVMD-NSHDSACASA-N 0 0 317.370 3.293 10 5 DGBERN Cc1nsc(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000450766009 240858534 /nfs/dbraw/zinc/85/85/34/240858534.db2.gz SBUAFGIQMIDMRV-GFCCVEGCSA-N 0 0 304.375 3.139 10 5 DGBERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccccc1[N+](=O)[O-] ZINC000189948119 432108555 /nfs/dbraw/zinc/10/85/55/432108555.db2.gz NYUWQWXCNDBOQI-AWEZNQCLSA-N 0 0 312.325 3.157 10 5 DGBERN Cc1cnc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000451547613 241168089 /nfs/dbraw/zinc/16/80/89/241168089.db2.gz LERKPUWHRDWOMR-HNNXBMFYSA-N 0 0 312.373 3.073 10 5 DGBERN CCc1ccc(C(=O)N2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000081833595 283927879 /nfs/dbraw/zinc/92/78/79/283927879.db2.gz IVINXSZPZZSYFF-UHFFFAOYSA-N 0 0 312.325 3.196 10 5 DGBERN Cc1cc(Br)cc([N+](=O)[O-])c1OCCCCCO ZINC000094296991 284016483 /nfs/dbraw/zinc/01/64/83/284016483.db2.gz BWIKJBXBKXWORY-UHFFFAOYSA-N 0 0 318.167 3.207 10 5 DGBERN COc1ccccc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103377637 284028925 /nfs/dbraw/zinc/02/89/25/284028925.db2.gz MXDHWTUDWQBMNI-LLVKDONJSA-N 0 0 312.325 3.195 10 5 DGBERN C[C@]1(O)CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000408109695 291425842 /nfs/dbraw/zinc/42/58/42/291425842.db2.gz ZPHURSZERTVGNL-LBPRGKRZSA-N 0 0 305.161 3.253 10 5 DGBERN Cc1cc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000110450779 284073121 /nfs/dbraw/zinc/07/31/21/284073121.db2.gz IEJPRHWRRIKFLO-RDJZCZTQSA-N 0 0 310.353 3.437 10 5 DGBERN CC[C@H](N[C@H]1CCCn2nc(C)nc21)c1cccc([N+](=O)[O-])c1 ZINC000181260269 432120743 /nfs/dbraw/zinc/12/07/43/432120743.db2.gz IUUJRUUDEBWSHJ-GJZGRUSLSA-N 0 0 315.377 3.071 10 5 DGBERN O=C(Cc1ccccc1[N+](=O)[O-])NC1C2CC3CC(C2)CC1C3 ZINC000121037971 284186038 /nfs/dbraw/zinc/18/60/38/284186038.db2.gz MCCJHNCNJFPKKF-UHFFFAOYSA-N 0 0 314.385 3.078 10 5 DGBERN O=[N+]([O-])c1ccc(NC[C@@H]2SCCc3ccccc32)cn1 ZINC000487659648 245088495 /nfs/dbraw/zinc/08/84/95/245088495.db2.gz MGPQSLSLIURTLD-AWEZNQCLSA-N 0 0 301.371 3.432 10 5 DGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCC(F)(F)C1 ZINC000488946018 245251976 /nfs/dbraw/zinc/25/19/76/245251976.db2.gz PWTKYNDHMVOTQI-LBPRGKRZSA-N 0 0 312.316 3.222 10 5 DGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCC(F)(F)C1 ZINC000488946016 245252809 /nfs/dbraw/zinc/25/28/09/245252809.db2.gz PWTKYNDHMVOTQI-GFCCVEGCSA-N 0 0 312.316 3.222 10 5 DGBERN O=C(N[C@H]1CCCC(F)(F)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000488987730 245258906 /nfs/dbraw/zinc/25/89/06/245258906.db2.gz XKEJWENPKQMDKX-JTQLQIEISA-N 0 0 302.252 3.042 10 5 DGBERN COc1cc(N2CCC(OCC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000266342724 205280419 /nfs/dbraw/zinc/28/04/19/205280419.db2.gz IKRMQDMXMGLYEW-UHFFFAOYSA-N 0 0 308.378 3.245 10 5 DGBERN CCC(CC)(CNc1ncc([N+](=O)[O-])cc1Cl)C(=O)OC ZINC000128777573 284386544 /nfs/dbraw/zinc/38/65/44/284386544.db2.gz BUQYCIFJCXHYDC-UHFFFAOYSA-N 0 0 315.757 3.035 10 5 DGBERN CC(C)Oc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1Cl ZINC000135628597 432129817 /nfs/dbraw/zinc/12/98/17/432129817.db2.gz NVEBBMZENPGADX-UHFFFAOYSA-N 0 0 324.724 3.011 10 5 DGBERN Cc1ccc(C[C@@H](C)N(C)C(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000128920017 284391663 /nfs/dbraw/zinc/39/16/63/284391663.db2.gz JCIPNTNTYKTGEQ-GFCCVEGCSA-N 0 0 302.330 3.199 10 5 DGBERN C[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C(C)(C)C1 ZINC000266948592 205701384 /nfs/dbraw/zinc/70/13/84/205701384.db2.gz YUPKHXVIEALFGK-SNVBAGLBSA-N 0 0 301.346 3.337 10 5 DGBERN CCOC(=O)Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000020311668 182205799 /nfs/dbraw/zinc/20/57/99/182205799.db2.gz DMJGCJQSOPMESX-UHFFFAOYSA-N 0 0 306.343 3.132 10 5 DGBERN CC(C)C(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000022419502 182321623 /nfs/dbraw/zinc/32/16/23/182321623.db2.gz QAEPIALDHLQXKD-UHFFFAOYSA-N 0 0 300.318 3.328 10 5 DGBERN CCCCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)O ZINC000098091485 193784626 /nfs/dbraw/zinc/78/46/26/193784626.db2.gz FYPCGBQHFCQEEE-IUODEOHRSA-N 0 0 308.378 3.044 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@@H]1C ZINC000171505660 432137598 /nfs/dbraw/zinc/13/75/98/432137598.db2.gz OZCHXKNWXAKRJE-LBPRGKRZSA-N 0 0 311.341 3.058 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1ccc(F)c(F)c1 ZINC000190291978 432140494 /nfs/dbraw/zinc/14/04/94/432140494.db2.gz DUXPPDQHKFQKJE-UHFFFAOYSA-N 0 0 320.295 3.154 10 5 DGBERN CCc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1F ZINC000152409405 284619367 /nfs/dbraw/zinc/61/93/67/284619367.db2.gz FGCHGDXZIVNADW-UHFFFAOYSA-N 0 0 303.293 3.131 10 5 DGBERN Cc1cc(C)n(-c2ncnc(Nc3ccccc3C)c2[N+](=O)[O-])n1 ZINC000040648112 183114377 /nfs/dbraw/zinc/11/43/77/183114377.db2.gz SLWQEIHNVPIVQW-UHFFFAOYSA-N 0 0 324.344 3.239 10 5 DGBERN Cc1ccc(Nc2[nH]cnc(=NNC(C)(C)C)c2[N+](=O)[O-])cc1 ZINC000040648983 183114447 /nfs/dbraw/zinc/11/44/47/183114447.db2.gz JAPHYLQQNLMYJV-UHFFFAOYSA-N 0 0 316.365 3.152 10 5 DGBERN CCOc1ncnc(N(CC)c2cccc(C)c2)c1[N+](=O)[O-] ZINC000040572507 183104297 /nfs/dbraw/zinc/10/42/97/183104297.db2.gz LOUSIGVQRXRKSV-UHFFFAOYSA-N 0 0 302.334 3.250 10 5 DGBERN Cc1cc(C)cc(Oc2ncnc(N3CCCC3)c2[N+](=O)[O-])c1 ZINC000040582540 183105132 /nfs/dbraw/zinc/10/51/32/183105132.db2.gz AGQVIZAVJXTYOP-UHFFFAOYSA-N 0 0 314.345 3.394 10 5 DGBERN CC(C)(C)Nc1ncnc(NCCc2cccs2)c1[N+](=O)[O-] ZINC000040581940 183105260 /nfs/dbraw/zinc/10/52/60/183105260.db2.gz WHCWTYDOKNJCRG-UHFFFAOYSA-N 0 0 321.406 3.311 10 5 DGBERN CCOc1ncnc(Nc2ccc(Cl)cc2C)c1[N+](=O)[O-] ZINC000040590646 183105753 /nfs/dbraw/zinc/10/57/53/183105753.db2.gz LLDOIAXENNENGH-UHFFFAOYSA-N 0 0 308.725 3.489 10 5 DGBERN CNc1ncnc(Nc2cccc3nc(C)ccc32)c1[N+](=O)[O-] ZINC000040596046 183106801 /nfs/dbraw/zinc/10/68/01/183106801.db2.gz XKAWVZKGRROBRI-UHFFFAOYSA-N 0 0 310.317 3.027 10 5 DGBERN CCN(CC)c1ncnc(Nc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000040608062 183108565 /nfs/dbraw/zinc/10/85/65/183108565.db2.gz JZOBYGFPJQBPFY-UHFFFAOYSA-N 0 0 301.350 3.283 10 5 DGBERN Nc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] ZINC000040608700 183108993 /nfs/dbraw/zinc/10/89/93/183108993.db2.gz PANMWZMQYGNULU-UHFFFAOYSA-N 0 0 322.328 3.132 10 5 DGBERN O=[N+]([O-])c1c(Nc2cccnc2)ncnc1OC1CCCCC1 ZINC000040628611 183110647 /nfs/dbraw/zinc/11/06/47/183110647.db2.gz STMUGVRMTXQLGE-UHFFFAOYSA-N 0 0 315.333 3.235 10 5 DGBERN O=[N+]([O-])c1c(Nc2cccnc2)ncnc1Oc1ccccc1 ZINC000040628457 183110900 /nfs/dbraw/zinc/11/09/00/183110900.db2.gz FQQDXKVBZRMQON-UHFFFAOYSA-N 0 0 309.285 3.316 10 5 DGBERN O=[N+]([O-])c1cc(Br)ccc1-n1cc(Cl)cn1 ZINC000042388751 183262308 /nfs/dbraw/zinc/26/23/08/183262308.db2.gz KMKRDCWTMAHQGW-UHFFFAOYSA-N 0 0 302.515 3.196 10 5 DGBERN O=[N+]([O-])c1cc(Cl)ccc1OCc1nc(-c2ccoc2)no1 ZINC000105572428 194111536 /nfs/dbraw/zinc/11/15/36/194111536.db2.gz SPHPARKLWWBUHU-UHFFFAOYSA-N 0 0 321.676 3.470 10 5 DGBERN Cc1ccc(NC(=O)N[C@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000058601177 184124764 /nfs/dbraw/zinc/12/47/64/184124764.db2.gz BXPWEJLEKHAMAQ-ZDUSSCGKSA-N 0 0 313.313 3.158 10 5 DGBERN COc1ccc(CN2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000060856971 184156898 /nfs/dbraw/zinc/15/68/98/184156898.db2.gz CSCIIZKXIVXMJW-UHFFFAOYSA-N 0 0 300.314 3.002 10 5 DGBERN CSc1ccc(CNc2ccc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000301072141 532960811 /nfs/dbraw/zinc/96/08/11/532960811.db2.gz GBDPLICFDBTPFG-UHFFFAOYSA-N 0 0 317.370 3.028 10 5 DGBERN CS[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000119639710 195007133 /nfs/dbraw/zinc/00/71/33/195007133.db2.gz YZHCCURSUVEDSK-LURJTMIESA-N 0 0 319.180 3.047 10 5 DGBERN C[C@@H]1C[C@@H](C)CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000119791512 195037536 /nfs/dbraw/zinc/03/75/36/195037536.db2.gz XFQBCYWVDUNNQF-GHMZBOCLSA-N 0 0 301.346 3.194 10 5 DGBERN O=C(C/C=C\c1ccc(F)cc1)NCc1cccc([N+](=O)[O-])c1 ZINC000255355939 285149122 /nfs/dbraw/zinc/14/91/22/285149122.db2.gz SALSWOZGJGXQCV-IHWYPQMZSA-N 0 0 314.316 3.454 10 5 DGBERN C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@@H](O)Cc1ccccc1 ZINC000120670097 195212783 /nfs/dbraw/zinc/21/27/83/195212783.db2.gz AMCBAWFOCLJTQD-YGRLFVJLSA-N 0 0 321.764 3.047 10 5 DGBERN CC(C)(C)[C@H](O)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000290025781 221387063 /nfs/dbraw/zinc/38/70/63/221387063.db2.gz GPAKAMLQIGNBFP-LLVKDONJSA-N 0 0 318.167 3.143 10 5 DGBERN COc1cc(NC[C@@]2(C)CCCC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000127626455 195894894 /nfs/dbraw/zinc/89/48/94/195894894.db2.gz NTZSYWOUTLGSQF-HUUCEWRRSA-N 0 0 312.341 3.096 10 5 DGBERN C[C@@H](CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)[S@](C)=O ZINC000128305198 195953920 /nfs/dbraw/zinc/95/39/20/195953920.db2.gz BOHUUKAJKSRVCF-AHGSNSTDSA-N 0 0 311.190 3.081 10 5 DGBERN C/C(=C/c1nc(Cc2ccon2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000356753354 285474224 /nfs/dbraw/zinc/47/42/24/285474224.db2.gz HMYZGMQJKGFWJD-NTMALXAHSA-N 0 0 312.285 3.117 10 5 DGBERN O=[N+]([O-])c1cc(Br)c(F)c(F)c1Br ZINC000306722332 400125827 /nfs/dbraw/zinc/12/58/27/400125827.db2.gz PZZZZLMGKKURSU-UHFFFAOYSA-N 0 0 316.883 3.398 10 5 DGBERN Cc1csc([C@@H]2CCCN(c3ncc(C)cc3[N+](=O)[O-])C2)n1 ZINC000610284241 400234325 /nfs/dbraw/zinc/23/43/25/400234325.db2.gz XUEYIYGZQYSPTD-GFCCVEGCSA-N 0 0 318.402 3.447 10 5 DGBERN O=[N+]([O-])c1ccc(NCc2nc3cc(Cl)ccc3[nH]2)cn1 ZINC000609802473 400193169 /nfs/dbraw/zinc/19/31/69/400193169.db2.gz XGTRNXSOSYBLMP-UHFFFAOYSA-N 0 0 303.709 3.132 10 5 DGBERN Cc1csc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000067861211 400210176 /nfs/dbraw/zinc/21/01/76/400210176.db2.gz ZVFUDJJUXRTNRQ-ZETCQYMHSA-N 0 0 311.388 3.221 10 5 DGBERN C[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccncc1 ZINC000610526305 400271372 /nfs/dbraw/zinc/27/13/72/400271372.db2.gz JZPVHFSMOTZPRM-NSHDSACASA-N 0 0 324.340 3.005 10 5 DGBERN O=[N+]([O-])c1cc(OC(F)(F)F)c(F)cc1Br ZINC000396060005 400281903 /nfs/dbraw/zinc/28/19/03/400281903.db2.gz PJHUUSIPDVULCT-UHFFFAOYSA-N 0 0 303.993 3.395 10 5 DGBERN O=[N+]([O-])c1cc(Br)cc(OC(F)(F)F)c1F ZINC000396048438 400282035 /nfs/dbraw/zinc/28/20/35/400282035.db2.gz CXCJCKPNVPSORL-UHFFFAOYSA-N 0 0 303.993 3.395 10 5 DGBERN Cc1cc(N2CCCC[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000589101213 400259211 /nfs/dbraw/zinc/25/92/11/400259211.db2.gz FQYSLPATAXUAJL-INIZCTEOSA-N 0 0 300.362 3.368 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@@H](c3ccsc3)C2)n1 ZINC000611617146 400429220 /nfs/dbraw/zinc/42/92/20/400429220.db2.gz KMATVTATPFCWER-CYBMUJFWSA-N 0 0 319.386 3.246 10 5 DGBERN O=[N+]([O-])c1ccc([C@H](O)c2ccccc2)c(Br)c1 ZINC000142624316 400631138 /nfs/dbraw/zinc/63/11/38/400631138.db2.gz BJSNPKDWRYYFTK-CYBMUJFWSA-N 0 0 308.131 3.439 10 5 DGBERN CCOc1cccc(N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1[N+](=O)[O-] ZINC000613048953 400648188 /nfs/dbraw/zinc/64/81/88/400648188.db2.gz GLXDJSAPFCRRFL-OCCSQVGLSA-N 0 0 322.405 3.227 10 5 DGBERN O=[N+]([O-])c1ccc(NCC2CSC2)c(Br)c1 ZINC000603414467 400683567 /nfs/dbraw/zinc/68/35/67/400683567.db2.gz ULPCQZAKILDMFJ-UHFFFAOYSA-N 0 0 303.181 3.132 10 5 DGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1CCC[C@H](O)C1 ZINC000603865164 400726203 /nfs/dbraw/zinc/72/62/03/400726203.db2.gz CDXBTHQTSUAUCY-ZJUUUORDSA-N 0 0 315.167 3.073 10 5 DGBERN O=C(NCc1ccc(Cl)o1)c1ccc([N+](=O)[O-])cc1Cl ZINC000603927851 400734398 /nfs/dbraw/zinc/73/43/98/400734398.db2.gz ZTMNVBIOVMXUSY-UHFFFAOYSA-N 0 0 315.112 3.425 10 5 DGBERN CC(=O)c1ccc(N2CCC(OCC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000077307481 400706867 /nfs/dbraw/zinc/70/68/67/400706867.db2.gz YTFZCABZXZOJRP-UHFFFAOYSA-N 0 0 320.389 3.439 10 5 DGBERN O=C(NCCCc1cccc(F)c1)c1csc([N+](=O)[O-])c1 ZINC000171809155 400807074 /nfs/dbraw/zinc/80/70/74/400807074.db2.gz CTLUUYQYXAETKD-UHFFFAOYSA-N 0 0 308.334 3.158 10 5 DGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCC1CCCC1 ZINC000172046375 400812984 /nfs/dbraw/zinc/81/29/84/400812984.db2.gz DAPNKMKQFUQIJJ-UHFFFAOYSA-N 0 0 310.781 3.487 10 5 DGBERN CCO[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000078360420 400792435 /nfs/dbraw/zinc/79/24/35/400792435.db2.gz WFJIZQJFGTWKNT-VXGBXAGGSA-N 0 0 311.769 3.403 10 5 DGBERN O=[N+]([O-])c1cccnc1N1CCC(Nc2ccccc2F)CC1 ZINC000078370388 400794288 /nfs/dbraw/zinc/79/42/88/400794288.db2.gz HKQLZUPAKLWBHG-UHFFFAOYSA-N 0 0 316.336 3.210 10 5 DGBERN CSCc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000171319590 400794960 /nfs/dbraw/zinc/79/49/60/400794960.db2.gz IJFCOWVXJAWCTF-UHFFFAOYSA-N 0 0 317.370 3.414 10 5 DGBERN CC(C)[C@@H](C)CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000172452416 400827494 /nfs/dbraw/zinc/82/74/94/400827494.db2.gz UNQVCCPPQUCWCF-ZDUSSCGKSA-N 0 0 319.405 3.217 10 5 DGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000172786560 400839539 /nfs/dbraw/zinc/83/95/39/400839539.db2.gz HMETVYYGTMGVJR-JKSUJKDBSA-N 0 0 302.374 3.427 10 5 DGBERN O=C(c1cccc([N+](=O)[O-])c1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000174543797 400859434 /nfs/dbraw/zinc/85/94/34/400859434.db2.gz FANNZMGFTANHOR-MRXNPFEDSA-N 0 0 318.373 3.159 10 5 DGBERN CC(C)(C)CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000193679222 400918440 /nfs/dbraw/zinc/91/84/40/400918440.db2.gz CVMMBDYIBWVASC-UHFFFAOYSA-N 0 0 305.378 3.315 10 5 DGBERN CCOc1ccc(C(=O)N[C@H](C)c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000057465987 401006416 /nfs/dbraw/zinc/00/64/16/401006416.db2.gz MOTDRILAPHPJIW-LLVKDONJSA-N 0 0 318.329 3.386 10 5 DGBERN Cc1csc(C2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)n1 ZINC000080600251 400966437 /nfs/dbraw/zinc/96/64/37/400966437.db2.gz JFBXXCKYZLXTOZ-UHFFFAOYSA-N 0 0 318.402 3.447 10 5 DGBERN CC(=O)C(C)(C)CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000615954829 401186906 /nfs/dbraw/zinc/18/69/06/401186906.db2.gz MNBMGTMTLWMNRL-UHFFFAOYSA-N 0 0 303.318 3.193 10 5 DGBERN Cn1nccc1CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090070407 401253393 /nfs/dbraw/zinc/25/33/93/401253393.db2.gz NTFYGGQDYHQZIN-UHFFFAOYSA-N 0 0 309.329 3.002 10 5 DGBERN Cc1nccc(CSCCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000359109546 286239269 /nfs/dbraw/zinc/23/92/69/286239269.db2.gz TUKUPJIVGKSNQJ-UHFFFAOYSA-N 0 0 319.386 3.396 10 5 DGBERN CC[C@H](C)Oc1cc(CNc2ccc([N+](=O)[O-])nc2)ccn1 ZINC000362650306 286844687 /nfs/dbraw/zinc/84/46/87/286844687.db2.gz RACYQRLVGZQFMT-NSHDSACASA-N 0 0 302.334 3.174 10 5 DGBERN O=C(NCc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1ccco1 ZINC000172113956 164649774 /nfs/dbraw/zinc/64/97/74/164649774.db2.gz QRZMAMZBJHIHNY-CQSZACIVSA-N 0 0 315.329 3.235 10 5 DGBERN Cc1nc(N2CCC(Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000178040882 164824008 /nfs/dbraw/zinc/82/40/08/164824008.db2.gz NALLJCRMNOPZHW-UHFFFAOYSA-N 0 0 312.373 3.152 10 5 DGBERN CC(C)[C@@H]1C[C@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000185352290 165001994 /nfs/dbraw/zinc/00/19/94/165001994.db2.gz GIAIGMICKCLVOD-QWHCGFSZSA-N 0 0 314.345 3.216 10 5 DGBERN CCc1noc(C)c1NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000186891242 165066046 /nfs/dbraw/zinc/06/60/46/165066046.db2.gz OGWYJPCFSTWZMX-UHFFFAOYSA-N 0 0 321.358 3.428 10 5 DGBERN O=[N+]([O-])c1cnc(N2CCC[C@@H]2C[C@H](O)c2ccccc2)s1 ZINC000192471803 165293360 /nfs/dbraw/zinc/29/33/60/165293360.db2.gz KMNBKTHVBPXMAT-OLZOCXBDSA-N 0 0 319.386 3.144 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000194988785 165359732 /nfs/dbraw/zinc/35/97/32/165359732.db2.gz PIABRWFPPBWWSY-VIFPVBQESA-N 0 0 319.748 3.443 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1nc(C(C)C)cs1 ZINC000129053620 196015698 /nfs/dbraw/zinc/01/56/98/196015698.db2.gz MLAMEGKWNJGFJU-UHFFFAOYSA-N 0 0 319.386 3.413 10 5 DGBERN Cc1ncsc1CN(C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000171692963 432161256 /nfs/dbraw/zinc/16/12/56/432161256.db2.gz OQYLOXIYUABHPX-UHFFFAOYSA-N 0 0 311.388 3.002 10 5 DGBERN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H](c2nccs2)C1 ZINC000171722150 432164906 /nfs/dbraw/zinc/16/49/06/432164906.db2.gz ABWVHRCVOIPMHW-SECBINFHSA-N 0 0 323.399 3.133 10 5 DGBERN COC(=O)c1cc(NCCCCSC)cc(C)c1[N+](=O)[O-] ZINC000130825282 196113340 /nfs/dbraw/zinc/11/33/40/196113340.db2.gz HWJUAWBOWGKHNT-UHFFFAOYSA-N 0 0 312.391 3.245 10 5 DGBERN Cc1c(NC(=O)[C@H](C)SC2CCOCC2)cccc1[N+](=O)[O-] ZINC000131045397 196134445 /nfs/dbraw/zinc/13/44/45/196134445.db2.gz SJGYQDPIGQKUBX-NSHDSACASA-N 0 0 324.402 3.142 10 5 DGBERN CC(C)[C@@H](C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000131124048 196141613 /nfs/dbraw/zinc/14/16/13/196141613.db2.gz NROINGGHIDSLEK-GFCCVEGCSA-N 0 0 305.378 3.313 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCC1CCOCC1 ZINC000175120625 228297145 /nfs/dbraw/zinc/29/71/45/228297145.db2.gz HRZBHFOUUYAHRU-LBPRGKRZSA-N 0 0 318.373 3.079 10 5 DGBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(Cl)cc1 ZINC000178148816 228337072 /nfs/dbraw/zinc/33/70/72/228337072.db2.gz CDGKFRATUDAVRO-VIFPVBQESA-N 0 0 319.748 3.321 10 5 DGBERN Cc1ccccc1Sc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301088638 229493715 /nfs/dbraw/zinc/49/37/15/229493715.db2.gz NCDTVMPRMGMXCU-UHFFFAOYSA-N 0 0 313.338 3.062 10 5 DGBERN C[C@H](C[C@@H](O)c1ccccc1)Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302075557 230081533 /nfs/dbraw/zinc/08/15/33/230081533.db2.gz XUMRPGYFMNMYTB-SJKOYZFVSA-N 0 0 316.357 3.011 10 5 DGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1CCOC2(CCCCC2)C1 ZINC000302077382 230084512 /nfs/dbraw/zinc/08/45/12/230084512.db2.gz YSODXQNIFZDHEJ-CQSZACIVSA-N 0 0 320.389 3.381 10 5 DGBERN O=[N+]([O-])c1cnc(N(Cc2c(F)cccc2Cl)C2CC2)nc1 ZINC000302155554 230129762 /nfs/dbraw/zinc/12/97/62/230129762.db2.gz MNXHQNSVVGZLEP-UHFFFAOYSA-N 0 0 322.727 3.346 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(c2ccc(F)cc2)C(C)C)n1 ZINC000191586652 263757601 /nfs/dbraw/zinc/75/76/01/263757601.db2.gz RTZKPIPRQAWDRG-UHFFFAOYSA-N 0 0 320.324 3.006 10 5 DGBERN Cc1cccc2c1CC[C@@H]2Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000535047092 424854037 /nfs/dbraw/zinc/85/40/37/424854037.db2.gz ZJBROEYVDMGABX-ZDUSSCGKSA-N 0 0 309.329 3.045 10 5 DGBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247977812 432259704 /nfs/dbraw/zinc/25/97/04/432259704.db2.gz LNRQPIAFLUPQAO-BBRMVZONSA-N 0 0 324.808 3.375 10 5 DGBERN O=[N+]([O-])c1ccc(N2CC3(CCOCC3)c3ccccc32)cn1 ZINC000450476035 275035891 /nfs/dbraw/zinc/03/58/91/275035891.db2.gz MMUPXKZBOQAIBK-UHFFFAOYSA-N 0 0 311.341 3.190 10 5 DGBERN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](C)c1cccnc1 ZINC000115226331 276062104 /nfs/dbraw/zinc/06/21/04/276062104.db2.gz NFQFUEOZMKPBSA-CYBMUJFWSA-N 0 0 313.357 3.142 10 5 DGBERN CC1(CC(F)(F)F)CN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000450958715 276166864 /nfs/dbraw/zinc/16/68/64/276166864.db2.gz WOYODWVJPVNPOQ-UHFFFAOYSA-N 0 0 309.675 3.422 10 5 DGBERN CC(C)c1nc2c(n1C)CCN(c1cccc(F)c1[N+](=O)[O-])C2 ZINC000108952456 278076136 /nfs/dbraw/zinc/07/61/36/278076136.db2.gz UCZVUNVSXMNGOT-UHFFFAOYSA-N 0 0 318.352 3.154 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1F ZINC000001284330 431216018 /nfs/dbraw/zinc/21/60/18/431216018.db2.gz NWVPCIRQQGCJPI-UHFFFAOYSA-N 0 0 304.277 3.060 10 5 DGBERN CC1(C)CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000112681394 431295428 /nfs/dbraw/zinc/29/54/28/431295428.db2.gz BPSQYXDZQSKBIG-UHFFFAOYSA-N 0 0 301.346 3.338 10 5 DGBERN O=C1c2ccccc2N[C@@H](c2ccccc2[N+](=O)[O-])N1C1CC1 ZINC000007889723 431367969 /nfs/dbraw/zinc/36/79/69/431367969.db2.gz KDSMLRRQKLTLIG-MRXNPFEDSA-N 0 0 309.325 3.324 10 5 DGBERN O=C([O-])[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC12CCCCC2 ZINC000008698623 431406640 /nfs/dbraw/zinc/40/66/40/431406640.db2.gz XMYBPLKJINZODR-HNNXBMFYSA-N 0 0 318.373 3.062 10 5 DGBERN CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H](C)c1cccnc1 ZINC000115227560 431440452 /nfs/dbraw/zinc/44/04/52/431440452.db2.gz ZKYBLUWTFWJBTD-SNVBAGLBSA-N 0 0 305.359 3.275 10 5 DGBERN C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCC1=O ZINC000302468946 279882377 /nfs/dbraw/zinc/88/23/77/279882377.db2.gz TVYSAAGDYOWBMX-LBPRGKRZSA-N 0 0 311.341 3.072 10 5 DGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000480554557 280095792 /nfs/dbraw/zinc/09/57/92/280095792.db2.gz NTZHQIDFBMYQQK-XPUUQOCRSA-N 0 0 309.675 3.420 10 5 DGBERN O=[N+]([O-])c1ccc(F)cc1N1CCN(c2ccccc2)CC1 ZINC000302855499 280365348 /nfs/dbraw/zinc/36/53/48/280365348.db2.gz LFSKUMSJRYSHTD-UHFFFAOYSA-N 0 0 301.321 3.061 10 5 DGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000118941554 431626800 /nfs/dbraw/zinc/62/68/00/431626800.db2.gz SRCVHSOAQSJNBT-ZIAGYGMSSA-N 0 0 324.764 3.032 10 5 DGBERN CCOc1ncccc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000027585989 431689410 /nfs/dbraw/zinc/68/94/10/431689410.db2.gz VYUDOVZLYMTCCJ-UHFFFAOYSA-N 0 0 307.331 3.011 10 5 DGBERN CCC(C)(C)[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000122112544 431813084 /nfs/dbraw/zinc/81/30/84/431813084.db2.gz UHIBARXXOYRSGD-ZDUSSCGKSA-N 0 0 305.378 3.218 10 5 DGBERN Cc1cc(C)n([C@H](C)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000086167341 431842702 /nfs/dbraw/zinc/84/27/02/431842702.db2.gz ZKDMMSHIAOPDPT-CYBMUJFWSA-N 0 0 316.361 3.225 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(OCC(C)C)CC1 ZINC000124956230 431909051 /nfs/dbraw/zinc/90/90/51/431909051.db2.gz KWEUHARYGXDAQT-UHFFFAOYSA-N 0 0 320.389 3.180 10 5 DGBERN CC(C)c1csc(NC(=O)CNc2ccccc2[N+](=O)[O-])n1 ZINC000123972769 431879700 /nfs/dbraw/zinc/87/97/00/431879700.db2.gz JLSLRMYVCSXLGP-UHFFFAOYSA-N 0 0 320.374 3.225 10 5 DGBERN Cc1cccc(OCC(=O)Nc2ccccc2F)c1[N+](=O)[O-] ZINC000124024995 431881278 /nfs/dbraw/zinc/88/12/78/431881278.db2.gz XACUXJQQAUIQDY-UHFFFAOYSA-N 0 0 304.277 3.060 10 5 DGBERN CC[C@H](Nc1nc(CCOC)ns1)c1cccc([N+](=O)[O-])c1 ZINC000090147246 431890262 /nfs/dbraw/zinc/89/02/62/431890262.db2.gz SVHQNGHPKDYOPN-LBPRGKRZSA-N 0 0 322.390 3.198 10 5 DGBERN CC[C@H](NC(=O)CCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090466924 431892147 /nfs/dbraw/zinc/89/21/47/431892147.db2.gz AYWXYVOBBWAGKK-INIZCTEOSA-N 0 0 320.389 3.369 10 5 DGBERN Cc1sc(C(=O)NCc2nc(C3CC3)cs2)cc1[N+](=O)[O-] ZINC000126925202 431960609 /nfs/dbraw/zinc/96/06/09/431960609.db2.gz VRHVNDSBBKKWGG-UHFFFAOYSA-N 0 0 323.399 3.229 10 5 DGBERN CCc1ccc(C(=O)N[C@@H](CC)c2nccs2)cc1[N+](=O)[O-] ZINC000173451693 432279623 /nfs/dbraw/zinc/27/96/23/432279623.db2.gz SDEMGJOLQKYKDS-LBPRGKRZSA-N 0 0 319.386 3.495 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C)c2Cl)n1 ZINC000191648878 432287533 /nfs/dbraw/zinc/28/75/33/432287533.db2.gz ZEUUXJPXIVQLTB-UHFFFAOYSA-N 0 0 308.725 3.025 10 5 DGBERN C[C@@H]1CC[C@@H](C)[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000174475326 432351047 /nfs/dbraw/zinc/35/10/47/432351047.db2.gz YQWSRZAAPDRBCY-VXGBXAGGSA-N 0 0 306.362 3.082 10 5 DGBERN Cc1cc(N2CCc3[nH]c4ccccc4c3C2)ncc1[N+](=O)[O-] ZINC000173913059 432306041 /nfs/dbraw/zinc/30/60/41/432306041.db2.gz PIVZRKQYKDQIJU-UHFFFAOYSA-N 0 0 308.341 3.342 10 5 DGBERN O=C(Nc1c[nH]nc1-c1ccccn1)Nc1cccc([N+](=O)[O-])c1 ZINC000153339647 432400916 /nfs/dbraw/zinc/40/09/16/432400916.db2.gz OVOIKZWGHOKZIW-UHFFFAOYSA-N 0 0 324.300 3.024 10 5 DGBERN O=C(Cc1ccccc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000193143926 432454146 /nfs/dbraw/zinc/45/41/46/432454146.db2.gz YOSDTGMELXECIO-UHFFFAOYSA-N 0 0 322.267 3.377 10 5 DGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccc(C(F)F)cc1 ZINC000184608818 432411449 /nfs/dbraw/zinc/41/14/49/432411449.db2.gz KZEISSSBLAXCQD-UHFFFAOYSA-N 0 0 320.295 3.391 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCc2cccc(F)c21 ZINC000192855894 432422531 /nfs/dbraw/zinc/42/25/31/432422531.db2.gz BQGUYBNTDBMENS-UHFFFAOYSA-N 0 0 315.304 3.030 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000185147416 432472032 /nfs/dbraw/zinc/47/20/32/432472032.db2.gz QIMZBAVXYQWLRO-WONIAPNHSA-N 0 0 318.373 3.072 10 5 DGBERN CCc1cccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000154123578 432474926 /nfs/dbraw/zinc/47/49/26/432474926.db2.gz POIZVWQDBNPFET-UHFFFAOYSA-N 0 0 314.341 3.347 10 5 DGBERN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000193642719 432487912 /nfs/dbraw/zinc/48/79/12/432487912.db2.gz QZQQEQSOAWTZBA-NWDGAFQWSA-N 0 0 317.345 3.174 10 5 DGBERN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000193642703 432488195 /nfs/dbraw/zinc/48/81/95/432488195.db2.gz QZQQEQSOAWTZBA-VXGBXAGGSA-N 0 0 317.345 3.174 10 5 DGBERN CC(C)C[C@@H](CO)N(C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000185881417 432540890 /nfs/dbraw/zinc/54/08/90/432540890.db2.gz KWIMCWDWTAORGQ-NSHDSACASA-N 0 0 318.320 3.039 10 5 DGBERN COc1cccc(C(=O)N2CCC[C@@H]2c2ccco2)c1[N+](=O)[O-] ZINC000194377342 432546365 /nfs/dbraw/zinc/54/63/65/432546365.db2.gz XFBFERMHLYMHFZ-GFCCVEGCSA-N 0 0 316.313 3.174 10 5 DGBERN C[C@@H](c1cccnc1)N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195191200 432610864 /nfs/dbraw/zinc/61/08/64/432610864.db2.gz AWRZVCNYKSHBGZ-NSHDSACASA-N 0 0 324.340 3.304 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000194805622 432578689 /nfs/dbraw/zinc/57/86/89/432578689.db2.gz XWPPEDWCUCUQRY-MLGOLLRUSA-N 0 0 320.389 3.228 10 5 DGBERN CC[C@H](NC(=O)c1ccn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000195299208 432617168 /nfs/dbraw/zinc/61/71/68/432617168.db2.gz AYLZVJXWVLIQSD-HNNXBMFYSA-N 0 0 301.346 3.123 10 5 DGBERN CCCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000194882496 432584784 /nfs/dbraw/zinc/58/47/84/432584784.db2.gz DYFBFHRWNCTPAT-UHFFFAOYSA-N 0 0 315.329 3.339 10 5 DGBERN Cc1cccc(C(=O)NCCc2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000177111845 432585910 /nfs/dbraw/zinc/58/59/10/432585910.db2.gz PAHQFZXVXBKIBB-UHFFFAOYSA-N 0 0 320.295 3.154 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2scnc2c1 ZINC000195385424 432621553 /nfs/dbraw/zinc/62/15/53/432621553.db2.gz WDDMHRNWIZIVPI-UHFFFAOYSA-N 0 0 314.326 3.160 10 5 DGBERN O=C(NC[C@H]1Cc2ccccc21)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195496473 432624759 /nfs/dbraw/zinc/62/47/59/432624759.db2.gz RWFWLMNZAALDQS-GFCCVEGCSA-N 0 0 321.336 3.146 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)c2ccc(-n3cncn3)cc2)n1 ZINC000178152908 432700626 /nfs/dbraw/zinc/70/06/26/432700626.db2.gz UYSDECYPFKGMKU-LBPRGKRZSA-N 0 0 324.344 3.052 10 5 DGBERN COCCc1ccccc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000188198955 432711235 /nfs/dbraw/zinc/71/12/35/432711235.db2.gz ZIPXYANJLFEPFU-UHFFFAOYSA-N 0 0 320.370 3.406 10 5 DGBERN CC[C@H](NC(=O)[C@@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000188302508 432715421 /nfs/dbraw/zinc/71/54/21/432715421.db2.gz ONDFHJURILDGKO-HOTGVXAUSA-N 0 0 320.389 3.103 10 5 DGBERN CO[C@H]1CN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@H]1C ZINC000187745828 432681360 /nfs/dbraw/zinc/68/13/60/432681360.db2.gz PQEJIVTVKNOJNC-WBMJQRKESA-N 0 0 320.389 3.215 10 5 DGBERN Cc1nc(NCC[C@@H](C)NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000178032811 432686324 /nfs/dbraw/zinc/68/63/24/432686324.db2.gz LZKHPOZOKWGXHK-SNVBAGLBSA-N 0 0 324.381 3.013 10 5 DGBERN CCc1cccc(CC(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000178682038 432766422 /nfs/dbraw/zinc/76/64/22/432766422.db2.gz TZNQEQAWEHMVCA-UHFFFAOYSA-N 0 0 310.353 3.289 10 5 DGBERN CCC[C@H]1C[C@@H]1Nc1c(Br)cncc1[N+](=O)[O-] ZINC000231630381 432732524 /nfs/dbraw/zinc/73/25/24/432732524.db2.gz ODURQCHPKJWJKQ-CBAPKCEASA-N 0 0 300.156 3.353 10 5 DGBERN C[C@H]1COCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000277287889 432834294 /nfs/dbraw/zinc/83/42/94/432834294.db2.gz ADMZMJLABJYUNR-KWQFWETISA-N 0 0 315.167 3.194 10 5 DGBERN CCCCOCC(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000161713806 432793743 /nfs/dbraw/zinc/79/37/43/432793743.db2.gz WCHAVOBKWRBWDO-UHFFFAOYSA-N 0 0 317.345 3.207 10 5 DGBERN CO[C@H](C)CCC(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000161712810 432793944 /nfs/dbraw/zinc/79/39/44/432793944.db2.gz GQOZNLSTJXLGDO-LLVKDONJSA-N 0 0 317.345 3.205 10 5 DGBERN C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCC1=O ZINC000276482895 432812293 /nfs/dbraw/zinc/81/22/93/432812293.db2.gz OPXXCACIIOTZHS-QMMMGPOBSA-N 0 0 302.252 3.029 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H](C)C1CCOCC1 ZINC000158256733 292765234 /nfs/dbraw/zinc/76/52/34/292765234.db2.gz VFJLWKWJIZDZRM-LBPRGKRZSA-N 0 0 306.362 3.213 10 5 DGBERN COC(=O)c1cc(N[C@@H]2C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301113332 433423115 /nfs/dbraw/zinc/42/31/15/433423115.db2.gz LEGBCAUZLOTPHR-UKRRQHHQSA-N 0 0 312.325 3.349 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccccc3)C2)c(F)c1 ZINC000301170771 433442528 /nfs/dbraw/zinc/44/25/28/433442528.db2.gz DNHRDWXIVHGAPK-LBPRGKRZSA-N 0 0 301.321 3.425 10 5 DGBERN CN(c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000301362177 433520658 /nfs/dbraw/zinc/52/06/58/433520658.db2.gz PGJMCUWDMKABGS-ZLKJLUDKSA-N 0 0 310.781 3.498 10 5 DGBERN CCC[C@H]1C[C@@H]1Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000301416463 433543851 /nfs/dbraw/zinc/54/38/51/433543851.db2.gz CBSSCDFNSWIETA-HZMBPMFUSA-N 0 0 303.362 3.088 10 5 DGBERN Cc1csc(C2CCN(c3nc(C)ccc3[N+](=O)[O-])CC2)n1 ZINC000123689681 293028417 /nfs/dbraw/zinc/02/84/17/293028417.db2.gz AIZBMXOORCXNEF-UHFFFAOYSA-N 0 0 318.402 3.447 10 5 DGBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H]1c1cc[nH]n1 ZINC000368490726 293126941 /nfs/dbraw/zinc/12/69/41/293126941.db2.gz POYDNSMZEPBMSW-ZDUSSCGKSA-N 0 0 306.753 3.308 10 5 DGBERN CCC(=O)c1ccc(N2CCC[C@H]2c2cc[nH]n2)c([N+](=O)[O-])c1 ZINC000376485548 433752637 /nfs/dbraw/zinc/75/26/37/433752637.db2.gz FAEXJVNUWAYJFV-ZDUSSCGKSA-N 0 0 314.345 3.252 10 5 DGBERN CCOC(=O)c1cc(N[C@H]2CCC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000301785772 433724327 /nfs/dbraw/zinc/72/43/27/433724327.db2.gz PJLDCAFGQFHMBH-WCQYABFASA-N 0 0 322.361 3.141 10 5 DGBERN Cc1nn(C)c(N2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1[N+](=O)[O-] ZINC000302724199 433839022 /nfs/dbraw/zinc/83/90/22/433839022.db2.gz NVEMQHZPMKUXDC-SECBINFHSA-N 0 0 320.315 3.052 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C(C)C)C1CCCCC1 ZINC000103390567 293607689 /nfs/dbraw/zinc/60/76/89/293607689.db2.gz RIPUUULVFVYXSQ-UHFFFAOYSA-N 0 0 305.378 3.482 10 5 DGBERN Cc1scc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c1C ZINC000357332623 433956949 /nfs/dbraw/zinc/95/69/49/433956949.db2.gz VVSZIUVQDRXYGZ-UHFFFAOYSA-N 0 0 316.342 3.309 10 5 DGBERN COCC[C@H](COC)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000312829202 434119564 /nfs/dbraw/zinc/11/95/64/434119564.db2.gz NOUPEOXVAVYKFT-MRVPVSSYSA-N 0 0 323.176 3.365 10 5 DGBERN CC(F)(F)CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000295219483 434262093 /nfs/dbraw/zinc/26/20/93/434262093.db2.gz BMXPLEJINSOXJK-UHFFFAOYSA-N 0 0 306.696 3.413 10 5 DGBERN Cc1cnc(C)c(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000450749868 434387131 /nfs/dbraw/zinc/38/71/31/434387131.db2.gz AHOWKDXIBIOCPK-OAHLLOKOSA-N 0 0 312.373 3.386 10 5 DGBERN C[C@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000408109859 434542901 /nfs/dbraw/zinc/54/29/01/434542901.db2.gz ZQKPZYRYMZQIPQ-CPCISQLKSA-N 0 0 305.161 3.109 10 5 DGBERN O=C(NCc1cccc([N+](=O)[O-])c1)c1cc(O)c2ccccc2c1 ZINC000527455910 295096949 /nfs/dbraw/zinc/09/69/49/295096949.db2.gz IKZQSVNXFOGYIY-UHFFFAOYSA-N 0 0 322.320 3.384 10 5 DGBERN Cc1cn(Cc2c(F)cccc2Br)nc1[N+](=O)[O-] ZINC000439193019 434575525 /nfs/dbraw/zinc/57/55/25/434575525.db2.gz QIWDLBKCTGQMIQ-UHFFFAOYSA-N 0 0 314.114 3.050 10 5 DGBERN Cc1ccnc(C2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000371822731 434758021 /nfs/dbraw/zinc/75/80/21/434758021.db2.gz NEJHOICTRQBOGE-UHFFFAOYSA-N 0 0 312.373 3.386 10 5 DGBERN CN(C[C@H]1CC=CCC1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000557631672 435061088 /nfs/dbraw/zinc/06/10/88/435061088.db2.gz KFWZCCHMWKPRRM-NSHDSACASA-N 0 0 314.345 3.036 10 5 DGBERN CCOC(=O)c1cc(Cl)cc([N+](=O)[O-])c1Br ZINC000575700886 435047591 /nfs/dbraw/zinc/04/75/91/435047591.db2.gz XYGWUTNQPCYJDE-UHFFFAOYSA-N 0 0 308.515 3.187 10 5 DGBERN CCOC(=O)c1cc(CC)c([N+](=O)[O-])cc1Br ZINC000575700597 435048181 /nfs/dbraw/zinc/04/81/81/435048181.db2.gz TTXTVUNXFMWPAG-UHFFFAOYSA-N 0 0 302.124 3.096 10 5 DGBERN C[C@H](C(=O)N[C@H]1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000568826500 435472980 /nfs/dbraw/zinc/47/29/80/435472980.db2.gz DUDONKPRONJGSM-JQWIXIFHSA-N 0 0 312.316 3.392 10 5 DGBERN CC[C@@H](CNc1ccc([N+](=O)[O-])nc1)Oc1ccccc1F ZINC000484823482 435554370 /nfs/dbraw/zinc/55/43/70/435554370.db2.gz SMPYUPRTDRNXRC-LBPRGKRZSA-N 0 0 305.309 3.398 10 5 DGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCOCC2(CCC2)C1 ZINC000519757944 435705560 /nfs/dbraw/zinc/70/55/60/435705560.db2.gz HBSGXIWXMLGTMI-UHFFFAOYSA-N 0 0 313.357 3.150 10 5 DGBERN O=[N+]([O-])c1ccc(Nc2ccc(OC[C@@H]3CCCO3)cc2)cn1 ZINC000572798116 435867677 /nfs/dbraw/zinc/86/76/77/435867677.db2.gz SEWUQMSHZAVCMQ-HNNXBMFYSA-N 0 0 315.329 3.291 10 5 DGBERN Cc1nc(C)c(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)s1 ZINC000171447530 312720117 /nfs/dbraw/zinc/72/01/17/312720117.db2.gz FMXWUZGQCUSRNM-QMMMGPOBSA-N 0 0 317.370 3.260 10 5 DGBERN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc2c1OCCC2 ZINC000376604970 312969689 /nfs/dbraw/zinc/96/96/89/312969689.db2.gz YNOFDJXXGKZDSG-UHFFFAOYSA-N 0 0 312.325 3.101 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)NCCCC2CC2)cc1[N+](=O)[O-] ZINC000531202739 313440750 /nfs/dbraw/zinc/44/07/50/313440750.db2.gz HTHBCVBRTZXFOB-LBPRGKRZSA-N 0 0 305.378 3.454 10 5 DGBERN Cc1cc(Cc2noc(CCOCC(C)C)n2)ccc1[N+](=O)[O-] ZINC000545145262 314227722 /nfs/dbraw/zinc/22/77/22/314227722.db2.gz HWYXJHBPUNAYOI-UHFFFAOYSA-N 0 0 319.361 3.092 10 5 DGBERN CCc1cccc(Oc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])c1 ZINC000553228166 314636133 /nfs/dbraw/zinc/63/61/33/314636133.db2.gz VDMDHFCXNWWTHA-UHFFFAOYSA-N 0 0 316.313 3.440 10 5 DGBERN C[C@H](NCc1nc(C2CCCC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000180459550 323229890 /nfs/dbraw/zinc/22/98/90/323229890.db2.gz MZMGQHMUFFJYDV-NSHDSACASA-N 0 0 316.361 3.486 10 5 DGBERN CC(C)OCCCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000181971989 323277261 /nfs/dbraw/zinc/27/72/61/323277261.db2.gz MGPVMEAFLOCPSO-GFCCVEGCSA-N 0 0 306.362 3.078 10 5 DGBERN Cc1cc(NC(=O)NCCc2ccsc2)ccc1[N+](=O)[O-] ZINC000193677838 323466825 /nfs/dbraw/zinc/46/68/25/323466825.db2.gz SKMXRHZQGVRLKF-UHFFFAOYSA-N 0 0 305.359 3.329 10 5 DGBERN CC(C)c1nn(C)cc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000582760679 324270760 /nfs/dbraw/zinc/27/07/60/324270760.db2.gz ASYCFDHCEGKIIK-LLVKDONJSA-N 0 0 316.361 3.194 10 5 DGBERN O=CN[C@@H](Cc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000584604202 337371307 /nfs/dbraw/zinc/37/13/07/337371307.db2.gz SRNKUONELYIEPX-AWEZNQCLSA-N 0 0 304.733 3.278 10 5 DGBERN COc1cc(CCNc2cc(CO)ccc2[N+](=O)[O-])ccc1C ZINC000302068525 533770376 /nfs/dbraw/zinc/77/03/76/533770376.db2.gz UXSWAMSMRFTOCD-UHFFFAOYSA-N 0 0 316.357 3.059 10 5 DGBERN COC(=O)c1ccc(F)c(CNc2ccc([N+](=O)[O-])cc2)c1 ZINC000302136835 534169987 /nfs/dbraw/zinc/16/99/87/534169987.db2.gz DIQNEFNXCNTXKG-UHFFFAOYSA-N 0 0 304.277 3.133 10 5 DGBERN C[C@@H](Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)c1ccccc1 ZINC000178417747 534272435 /nfs/dbraw/zinc/27/24/35/534272435.db2.gz IUJOVRXWZOSQEF-LBPRGKRZSA-N 0 0 309.325 3.108 10 5 DGBERN COc1cc(NCCC[C@@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000154522257 522740896 /nfs/dbraw/zinc/74/08/96/522740896.db2.gz ROZCLCBMEXVILU-SWLSCSKDSA-N 0 0 308.378 3.347 10 5 DGBERN Cc1cccc(C)c1CCNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302027224 534664122 /nfs/dbraw/zinc/66/41/22/534664122.db2.gz INIZCHLZGWTNPT-UHFFFAOYSA-N 0 0 300.358 3.359 10 5 DGBERN Cc1ccc(N[C@@H](C)c2nnc3n2CCCC3)c([N+](=O)[O-])c1 ZINC000157370003 525311745 /nfs/dbraw/zinc/31/17/45/525311745.db2.gz QLYGENQHNFHZHR-NSHDSACASA-N 0 0 301.350 3.004 10 5 DGBERN O=[N+]([O-])c1ccc(CO)cc1NCCOC1CCCCCC1 ZINC000302039348 534881900 /nfs/dbraw/zinc/88/19/00/534881900.db2.gz NEOWXBRLMQQQEY-UHFFFAOYSA-N 0 0 308.378 3.238 10 5 DGBERN CC(C)(NC(=O)NCC1(C)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000175625854 527272221 /nfs/dbraw/zinc/27/22/21/527272221.db2.gz INZJTWMBKBDKLC-UHFFFAOYSA-N 0 0 305.378 3.319 10 5 DGBERN O=[N+]([O-])c1c(NCCC[C@@H]2CCCC[C@H]2O)nc2sccn21 ZINC000154485989 527321378 /nfs/dbraw/zinc/32/13/78/527321378.db2.gz GGJKOGHERSLRAI-WDEREUQCSA-N 0 0 324.406 3.047 10 5 DGBERN CC(=O)c1ccc(O[C@H]2CCCC(C)(C)C2=O)c([N+](=O)[O-])c1 ZINC000412999425 527329390 /nfs/dbraw/zinc/32/93/90/527329390.db2.gz KVIBNGUOMXTSAV-AWEZNQCLSA-N 0 0 305.330 3.324 10 5 DGBERN CC(=Cc1nc(-c2ccc(=O)[nH]c2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445438626 527509289 /nfs/dbraw/zinc/50/92/89/527509289.db2.gz UAFJKJQAFUYDSN-NTMALXAHSA-N 0 0 324.296 3.306 10 5 DGBERN CC(C)Oc1cccnc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000175537059 528267480 /nfs/dbraw/zinc/26/74/80/528267480.db2.gz CGJOIQKZTNQBJG-UHFFFAOYSA-N 0 0 301.302 3.029 10 5 DGBERN CC(C)[C@@H](CNc1cc(CO)ccc1[N+](=O)[O-])c1cccnc1 ZINC000302042490 528466942 /nfs/dbraw/zinc/46/69/42/528466942.db2.gz OBUBJTKTSQRADJ-OAHLLOKOSA-N 0 0 315.373 3.334 10 5 DGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCOC[C@H]1C ZINC000194132518 528941726 /nfs/dbraw/zinc/94/17/26/528941726.db2.gz TZMOEMDPDUNCFX-CJNGLKHVSA-N 0 0 320.389 3.004 10 5 DGBERN O=[N+]([O-])c1cc(Br)ccc1N=S1(=O)CCCC1 ZINC000536956994 563469717 /nfs/dbraw/zinc/46/97/17/563469717.db2.gz CITLPPBRCKHWJX-UHFFFAOYSA-N 0 0 319.180 3.251 10 5 DGBERN COc1cc2c3c(cc4ccccc4c3c1OC)N(C)C(=O)C2=O ZINC000005996061 571690133 /nfs/dbraw/zinc/69/01/33/571690133.db2.gz AFKGBLKLNRDQFN-UHFFFAOYSA-N 0 0 321.332 3.169 10 5 endogenous,in-man DGBERN O=[N+]([O-])c1ccc(CCCCNc2ccc([N+](=O)[O-])nc2)cc1 ZINC000739889735 576043254 /nfs/dbraw/zinc/04/32/54/576043254.db2.gz GCUJAGPQGJAZRN-UHFFFAOYSA-N 0 0 316.317 3.333 10 5 DGBERN O=[N+]([O-])c1ccc(OC[C@H](O)c2cc(F)ccc2F)cc1F ZINC000154186588 620646092 /nfs/dbraw/zinc/64/60/92/620646092.db2.gz KOBDXNHJPWSRCE-AWEZNQCLSA-N 0 0 313.231 3.125 10 5 DGBERN CC[C@H](NC(=O)c1cccc(F)n1)c1cccc([N+](=O)[O-])c1 ZINC000150887407 620403520 /nfs/dbraw/zinc/40/35/20/620403520.db2.gz ACSASFJJRBWOLQ-LBPRGKRZSA-N 0 0 303.293 3.010 10 5 DGBERN C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000151491001 620450920 /nfs/dbraw/zinc/45/09/20/620450920.db2.gz KNTSPCIUJFHWDE-SECBINFHSA-N 0 0 313.737 3.220 10 5 DGBERN O=[N+]([O-])c1cc(NCc2nc(C3CCCC3)no2)ccc1F ZINC000151498161 620451337 /nfs/dbraw/zinc/45/13/37/620451337.db2.gz JISYSBQOQSZYCQ-UHFFFAOYSA-N 0 0 306.297 3.387 10 5 DGBERN Cc1nn(CN2CCC[C@]3(CC=CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000114445198 621007463 /nfs/dbraw/zinc/00/74/63/621007463.db2.gz GNFHTXLLBCCTLI-MRXNPFEDSA-N 0 0 304.394 3.188 10 5 DGBERN CC[C@@H]1CCC[C@@H](OC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000115918885 621158871 /nfs/dbraw/zinc/15/88/71/621158871.db2.gz QVJAHRUAMFMOJA-ZIAGYGMSSA-N 0 0 323.393 3.310 10 5 DGBERN CC[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000119646035 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O=C(NCC[C@@H]1CC1(F)F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000701990140 660696400 /nfs/dbraw/zinc/69/64/00/660696400.db2.gz AIJQGBMGLVUPQB-MRVPVSSYSA-N 0 0 304.680 3.023 10 5 DGBERN O=C(NCC[C@H]1CCSC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000704848390 660822799 /nfs/dbraw/zinc/82/27/99/660822799.db2.gz LSJQYTPOTJFGPE-VIFPVBQESA-N 0 0 314.794 3.121 10 5 DGBERN O=[N+]([O-])c1cccc(CN2C[C@@H]3CCC[C@H]32)c1Br ZINC000706734875 660870226 /nfs/dbraw/zinc/87/02/26/660870226.db2.gz AFAQOVULYMMRAA-GXSJLCMTSA-N 0 0 311.179 3.342 10 5 DGBERN CC(C)(C)[S@@](C)(=O)=NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000710153054 660932178 /nfs/dbraw/zinc/93/21/78/660932178.db2.gz JFBQSVIAMRGWFI-HXUWFJFHSA-N 0 0 318.782 3.285 10 5 DGBERN Cc1cc(NS(=O)(=O)/C=C\c2ccccc2)ccc1[N+](=O)[O-] ZINC000255021174 655563645 /nfs/dbraw/zinc/56/36/45/655563645.db2.gz RULFWJRGYHWAPS-KTKRTIGZSA-N 0 0 318.354 3.316 10 5 DGBERN CC(C)c1csc(NC(=O)c2cc([N+](=O)[O-])ccc2N)n1 ZINC000050212702 655645820 /nfs/dbraw/zinc/64/58/20/655645820.db2.gz LFOGWOHRSMKHRD-UHFFFAOYSA-N 0 0 306.347 3.009 10 5 DGBERN CC[C@H](NC(=O)/C=C\c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000255660053 655887276 /nfs/dbraw/zinc/88/72/76/655887276.db2.gz UPYYJELNDKGRMR-QWGSZXSUSA-N 0 0 311.341 3.271 10 5 DGBERN CO[C@H]1C[C@H](CNc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000714634202 661201758 /nfs/dbraw/zinc/20/17/58/661201758.db2.gz ZRUCZSFFMAYVOD-KYZUINATSA-N 0 0 315.167 3.194 10 5 DGBERN Cc1c(Br)ccc(OCC(=O)C2CC2)c1[N+](=O)[O-] ZINC000310631106 655921794 /nfs/dbraw/zinc/92/17/94/655921794.db2.gz NKJQJVNTBLPLTE-UHFFFAOYSA-N 0 0 314.135 3.024 10 5 DGBERN CC(C)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000036841433 661204984 /nfs/dbraw/zinc/20/49/84/661204984.db2.gz PAIRIVCSJXUHPA-CYBMUJFWSA-N 0 0 319.405 3.359 10 5 DGBERN O=C(NCC[C@@H]1CCCS1)c1ccc([N+](=O)[O-])cc1Cl ZINC000715972554 661216255 /nfs/dbraw/zinc/21/62/55/661216255.db2.gz IDEXNCTZHYHRBK-JTQLQIEISA-N 0 0 314.794 3.264 10 5 DGBERN CC(C)[C@@H](C)NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000037247185 661223086 /nfs/dbraw/zinc/22/30/86/661223086.db2.gz STGFIHANURUNKN-MRVPVSSYSA-N 0 0 315.167 3.132 10 5 DGBERN COc1ccccc1CC(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000047176518 656211504 /nfs/dbraw/zinc/21/15/04/656211504.db2.gz FXTPOFRXZADLHD-GFCCVEGCSA-N 0 0 315.325 3.450 10 5 DGBERN Cc1ccc(C(=O)OCCCOC2CCCC2)cc1[N+](=O)[O-] ZINC000127155359 657628676 /nfs/dbraw/zinc/62/86/76/657628676.db2.gz MGXHSGNLIDBMGA-UHFFFAOYSA-N 0 0 307.346 3.409 10 5 DGBERN C[C@H](OC(=O)[C@@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000098161187 657972859 /nfs/dbraw/zinc/97/28/59/657972859.db2.gz VVMGFHJFQDWXEM-XVKPBYJWSA-N 0 0 304.129 3.393 10 5 DGBERN Cc1cccc(NC(=O)CNc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000007972809 658115711 /nfs/dbraw/zinc/11/57/11/658115711.db2.gz JBQPJTMDGBZHIN-UHFFFAOYSA-N 0 0 303.293 3.093 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000263536099 658270897 /nfs/dbraw/zinc/27/08/97/658270897.db2.gz ZHCUVWZZLDAPHX-KCXAZCMYSA-N 0 0 318.373 3.121 10 5 DGBERN CC(=O)c1cccc(COC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000164735085 658944062 /nfs/dbraw/zinc/94/40/62/658944062.db2.gz JNBIGEPWQFIURP-UHFFFAOYSA-N 0 0 313.309 3.463 10 5 DGBERN O=C(Nc1ccnn1C1CCCC1)c1ccc([N+](=O)[O-])s1 ZINC000060953768 659219567 /nfs/dbraw/zinc/21/95/67/659219567.db2.gz JGVHNLZPTJIGGU-UHFFFAOYSA-N 0 0 306.347 3.220 10 5 DGBERN Cc1cc(C(=O)N[C@@H](C)c2cccs2)c(N)c([N+](=O)[O-])c1 ZINC000170798753 659239029 /nfs/dbraw/zinc/23/90/29/659239029.db2.gz DTWLQLODGSGWTR-VIFPVBQESA-N 0 0 305.359 3.038 10 5 DGBERN C[C@H](CCNc1ccc([N+](=O)[O-])cc1C(F)F)[S@@](C)=O ZINC000229825613 659284986 /nfs/dbraw/zinc/28/49/86/659284986.db2.gz YFHGRRWBCNNEFR-ZPWHCFADSA-N 0 0 306.334 3.101 10 5 DGBERN COCc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000171878867 659303886 /nfs/dbraw/zinc/30/38/86/659303886.db2.gz USUULJLMPSLGMX-UHFFFAOYSA-N 0 0 301.298 3.269 10 5 DGBERN O=C(OCC(F)(F)F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000076848174 659318762 /nfs/dbraw/zinc/31/87/62/659318762.db2.gz NWTHDCFSFAYFOM-UHFFFAOYSA-N 0 0 317.141 3.333 10 5 DGBERN CCc1ccc(OC(=O)CCc2cscn2)c([N+](=O)[O-])c1 ZINC000172192409 659323373 /nfs/dbraw/zinc/32/33/73/659323373.db2.gz HKFBUXNFISGFFT-UHFFFAOYSA-N 0 0 306.343 3.152 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1noc(C(C)(C)C)n1 ZINC000172872215 659358383 /nfs/dbraw/zinc/35/83/83/659358383.db2.gz WWKKGHUYDXLDMY-JTQLQIEISA-N 0 0 316.361 3.227 10 5 DGBERN CC(C)(C)[C@@H](O)CNc1cccc(Br)c1[N+](=O)[O-] ZINC000324314026 659655991 /nfs/dbraw/zinc/65/59/91/659655991.db2.gz FRLNDEKLCKKIOI-JTQLQIEISA-N 0 0 317.183 3.176 10 5 DGBERN Cc1ccc(C)c(OS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000064240844 659878489 /nfs/dbraw/zinc/87/84/89/659878489.db2.gz SKXGOLXYFDMIBQ-UHFFFAOYSA-N 0 0 313.356 3.041 10 5 DGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccoc1 ZINC000064607036 659920761 /nfs/dbraw/zinc/92/07/61/659920761.db2.gz FZKLLKBDPGKIGB-SNVBAGLBSA-N 0 0 307.327 3.412 10 5 DGBERN O=[N+]([O-])c1ccc(F)cc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000047346525 661875713 /nfs/dbraw/zinc/87/57/13/661875713.db2.gz GKXWFOZZYMSVSP-UHFFFAOYSA-N 0 0 310.212 3.360 10 5 DGBERN CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000194275255 662162443 /nfs/dbraw/zinc/16/24/43/662162443.db2.gz YLMZVEKMCSECAO-LBPRGKRZSA-N 0 0 321.377 3.088 10 5 DGBERN Cc1ccc(OC(=O)c2scnc2C2CC2)cc1[N+](=O)[O-] ZINC000089833033 662248884 /nfs/dbraw/zinc/24/88/84/662248884.db2.gz XLIKXHOCPQEYKM-UHFFFAOYSA-N 0 0 304.327 3.456 10 5 DGBERN O=[N+]([O-])c1cnc(NCc2cnc(Cl)s2)c(Cl)c1 ZINC000718210478 662249759 /nfs/dbraw/zinc/24/97/59/662249759.db2.gz LQSPMYBGDADZCZ-UHFFFAOYSA-N 0 0 305.146 3.365 10 5 DGBERN C[C@@H](OC(=O)CSCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000090516860 662265750 /nfs/dbraw/zinc/26/57/50/662265750.db2.gz DXNNQNWFZAMZGC-MRVPVSSYSA-N 0 0 323.292 3.495 10 5 DGBERN C[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000050699216 1194611823 /nfs/dbraw/zinc/61/18/23/1194611823.db2.gz PMDJSUBGSYPJNQ-LDYMZIIASA-N 0 0 311.769 3.139 10 5 DGBERN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCC1=CCCCC1 ZINC000059505228 1195097166 /nfs/dbraw/zinc/09/71/66/1195097166.db2.gz RICUIIMWXRQFEJ-UHFFFAOYSA-N 0 0 300.314 3.081 10 5 DGBERN COc1cc(NCc2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000096969237 1199068086 /nfs/dbraw/zinc/06/80/86/1199068086.db2.gz VVIPXCLDTZUJLY-UHFFFAOYSA-N 0 0 318.329 3.233 10 5 DGBERN COc1cc(COc2ccc(Cl)c([N+](=O)[O-])c2)sn1 ZINC000401090401 1199384341 /nfs/dbraw/zinc/38/43/41/1199384341.db2.gz VGROIICPCXOHBX-UHFFFAOYSA-N 0 0 300.723 3.292 10 5 DGBERN CN(Cc1ccccc1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000309554133 1199707772 /nfs/dbraw/zinc/70/77/72/1199707772.db2.gz ZHEZVCBFHQNBLF-UHFFFAOYSA-N 0 0 319.748 3.103 10 5 DGBERN Cc1cnc(SCc2ccc(Cl)c([N+](=O)[O-])c2)[nH]c1=O ZINC000312551698 1199753536 /nfs/dbraw/zinc/75/35/36/1199753536.db2.gz MDDXKARLKSDYJR-UHFFFAOYSA-N 0 0 311.750 3.345 10 5 DGBERN C[C@@H](CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C(C)(C)C ZINC000125980479 1200476728 /nfs/dbraw/zinc/47/67/28/1200476728.db2.gz VJNCCTNHJKPVIU-QMMMGPOBSA-N 0 0 313.785 3.242 10 5 DGBERN O=[N+]([O-])c1ccc(CCNc2cccc(Br)n2)cc1 ZINC000229286475 1202527250 /nfs/dbraw/zinc/52/72/50/1202527250.db2.gz VQLSNLPSOKHTAZ-UHFFFAOYSA-N 0 0 322.162 3.407 10 5 DGBERN CC1(C)[C@H](O)C[C@H]1Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000232786031 1202601832 /nfs/dbraw/zinc/60/18/32/1202601832.db2.gz AZKZYMSYISHUGV-NXEZZACHSA-N 0 0 305.161 3.473 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)Cc1ccsc1 ZINC000175090267 1203917276 /nfs/dbraw/zinc/91/72/76/1203917276.db2.gz YAPJRRBHFKMBJK-JTQLQIEISA-N 0 0 319.386 3.063 10 5 DGBERN C[C@H]1CC[C@H](CNc2ccc(Br)cc2[N+](=O)[O-])O1 ZINC000128246005 1200767085 /nfs/dbraw/zinc/76/70/85/1200767085.db2.gz PDFJKWVZHFJLTN-WCBMZHEXSA-N 0 0 315.167 3.337 10 5 DGBERN CO[C@@H](CNC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000588439742 1082284126 /nfs/dbraw/zinc/28/41/26/1082284126.db2.gz ZSIVEJDYNZHPSV-WQTVUKCASA-N 0 0 320.389 3.175 10 5 DGBERN CSCCCCNC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588439028 1082284248 /nfs/dbraw/zinc/28/42/48/1082284248.db2.gz RYGIRZRCOJEPQM-QXMHVHEDSA-N 0 0 308.403 3.258 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000588440437 1082284991 /nfs/dbraw/zinc/28/49/91/1082284991.db2.gz SPGUBAGEPXVVPR-IQPYWVBFSA-N 0 0 300.358 3.257 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1Cc2ccccc21 ZINC000588444519 1082289345 /nfs/dbraw/zinc/28/93/45/1082289345.db2.gz RSQSDWRKUJSACF-DDKJEQMHSA-N 0 0 322.364 3.454 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cncc(C)c1 ZINC000588447452 1082316076 /nfs/dbraw/zinc/31/60/76/1082316076.db2.gz SNGUNTGWAJLCIG-JYRVWZFOSA-N 0 0 311.341 3.018 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1Cc2ccccc2C1 ZINC000588458357 1082348815 /nfs/dbraw/zinc/34/88/15/1082348815.db2.gz WCEMPLXORLQJED-RAXLEYEMSA-N 0 0 322.364 3.282 10 5 DGBERN O=C([C@H]1C[C@@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000062157947 432003409 /nfs/dbraw/zinc/00/34/09/432003409.db2.gz PVGMIAKLSQDHJW-CVEARBPZSA-N 0 0 308.337 3.288 10 5 DGBERN CC[C@@H](NC(=O)N1CCC12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000435565540 529608338 /nfs/dbraw/zinc/60/83/38/529608338.db2.gz SYVNJXGELSUPPT-CQSZACIVSA-N 0 0 303.362 3.384 10 5 DGBERN CCCn1c(C)nnc1CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181565185 199319405 /nfs/dbraw/zinc/31/94/05/199319405.db2.gz KBCTVBCHQCIPRP-HNNXBMFYSA-N 0 0 317.393 3.146 10 5 DGBERN CC[C@H](NCc1noc(C(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000181551637 199315592 /nfs/dbraw/zinc/31/55/92/199315592.db2.gz SSCMIRXWASMZQT-ZDUSSCGKSA-N 0 0 304.350 3.342 10 5 DGBERN COC(=O)C[C@H](C)Sc1c2ccccc2ncc1[N+](=O)[O-] ZINC000130338150 432021384 /nfs/dbraw/zinc/02/13/84/432021384.db2.gz AKWFXXKMECKLEZ-VIFPVBQESA-N 0 0 306.343 3.187 10 5 DGBERN COC(=O)c1cc(NCCOC2CCCC2)cc(C)c1[N+](=O)[O-] ZINC000130405181 432024131 /nfs/dbraw/zinc/02/41/31/432024131.db2.gz YRTHNYSLGHSXQX-UHFFFAOYSA-N 0 0 322.361 3.061 10 5 DGBERN CCSCC[C@@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000173312824 186175423 /nfs/dbraw/zinc/17/54/23/186175423.db2.gz XSJMIJNWXYGYCY-SNVBAGLBSA-N 0 0 321.402 3.338 10 5 DGBERN C[C@H](NC(=O)N1C[C@H](C)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000175736061 186191581 /nfs/dbraw/zinc/19/15/81/186191581.db2.gz IUFQLAZQHMQWRN-UPJWGTAASA-N 0 0 305.378 3.486 10 5 DGBERN COc1cc(CSC2CCOCC2)c([N+](=O)[O-])cc1F ZINC000183867257 186225590 /nfs/dbraw/zinc/22/55/90/186225590.db2.gz SUCLZYCJZQXQSP-UHFFFAOYSA-N 0 0 301.339 3.155 10 5 DGBERN O=C(NC1CC1)c1ccccc1NCc1cccc([N+](=O)[O-])c1 ZINC000072970383 191259688 /nfs/dbraw/zinc/25/96/88/191259688.db2.gz DCXMHISCKANNRK-UHFFFAOYSA-N 0 0 311.341 3.099 10 5 DGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]2CCC[C@H]21 ZINC000174377708 198327657 /nfs/dbraw/zinc/32/76/57/198327657.db2.gz YFEAVZUZMMDRLW-BDJLRTHQSA-N 0 0 313.357 3.481 10 5 DGBERN CSCCCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163920738 432044518 /nfs/dbraw/zinc/04/45/18/432044518.db2.gz IIELMGPWICNNOQ-UHFFFAOYSA-N 0 0 308.403 3.229 10 5 DGBERN Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(Br)s1 ZINC000073711078 191345525 /nfs/dbraw/zinc/34/55/25/191345525.db2.gz ZRVQXEJPUOBRHV-UHFFFAOYSA-N 0 0 300.137 3.063 10 5 DGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000005771748 181281991 /nfs/dbraw/zinc/28/19/91/181281991.db2.gz JTDKRGVRPVBLJO-UHFFFAOYSA-N 0 0 321.676 3.409 10 5 DGBERN CC[C@H](NC(=O)c1c[nH]nc1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000184479425 199721982 /nfs/dbraw/zinc/72/19/82/199721982.db2.gz GNADGNKDVRXQNZ-AWEZNQCLSA-N 0 0 314.345 3.076 10 5 DGBERN Cc1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cs1 ZINC000170497100 432073077 /nfs/dbraw/zinc/07/30/77/432073077.db2.gz SYYYIVCBGNQWTN-VIFPVBQESA-N 0 0 305.359 3.159 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000170631985 432074923 /nfs/dbraw/zinc/07/49/23/432074923.db2.gz JAGPDFXGKQJPMT-UHFFFAOYSA-N 0 0 324.296 3.206 10 5 DGBERN CCc1oc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1C ZINC000089204339 192741028 /nfs/dbraw/zinc/74/10/28/192741028.db2.gz 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/nfs/dbraw/zinc/31/57/78/201315778.db2.gz ZSZVSRQGLPKVTE-UHFFFAOYSA-N 0 0 319.386 3.065 10 5 DGBERN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1nc2c(s1)CCC2 ZINC000006527304 181349996 /nfs/dbraw/zinc/34/99/96/181349996.db2.gz JUDNBLDVYMBSMA-CMDGGOBGSA-N 0 0 315.354 3.192 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1CN1CCC(OCC(C)C)CC1 ZINC000077394240 283850362 /nfs/dbraw/zinc/85/03/62/283850362.db2.gz TYYXMGRRHXQDLJ-UHFFFAOYSA-N 0 0 322.405 3.240 10 5 DGBERN Cc1sc(C(=O)Nc2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000091678953 193090680 /nfs/dbraw/zinc/09/06/80/193090680.db2.gz RIRUIGNZYIQSFW-UHFFFAOYSA-N 0 0 304.327 3.247 10 5 DGBERN Cc1n[nH]c2cc(NC(=O)c3cccc([N+](=O)[O-])c3C)ccc12 ZINC000091824840 193113101 /nfs/dbraw/zinc/11/31/01/193113101.db2.gz WTVGJBJTSWKWKF-UHFFFAOYSA-N 0 0 310.313 3.340 10 5 DGBERN Cc1n[nH]c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3C)ccc12 ZINC000091834770 193115660 /nfs/dbraw/zinc/11/56/60/193115660.db2.gz YANGQMYCEVZGTC-UHFFFAOYSA-N 0 0 310.313 3.340 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(F)c1F ZINC000103375206 284028696 /nfs/dbraw/zinc/02/86/96/284028696.db2.gz LLGSTMSDRSUKGI-VIFPVBQESA-N 0 0 318.279 3.464 10 5 DGBERN Cc1cccc(NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000007442909 181467194 /nfs/dbraw/zinc/46/71/94/181467194.db2.gz LGWDQPOZWWRNMS-UHFFFAOYSA-N 0 0 300.314 3.229 10 5 DGBERN Cc1ccc(CN2CCCC[C@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000093438100 193251174 /nfs/dbraw/zinc/25/11/74/193251174.db2.gz YIVWZRJCFAABMC-HNNXBMFYSA-N 0 0 300.362 3.354 10 5 DGBERN CC[C@H](O)CN(Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000120800096 284178456 /nfs/dbraw/zinc/17/84/56/284178456.db2.gz FKBAMNFFMNCQEM-INIZCTEOSA-N 0 0 300.358 3.372 10 5 DGBERN CCOc1cc(NC[C@H](CO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000487671676 245089872 /nfs/dbraw/zinc/08/98/72/245089872.db2.gz FJYRPGGYICZEKG-CQSZACIVSA-N 0 0 316.357 3.182 10 5 DGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCc1ccsc1 ZINC000122922680 284228544 /nfs/dbraw/zinc/22/85/44/284228544.db2.gz BDNILSHKZBSLGS-UHFFFAOYSA-N 0 0 321.358 3.029 10 5 DGBERN O=C(N[C@H]1CCCC(F)(F)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000488985727 245259046 /nfs/dbraw/zinc/25/90/46/245259046.db2.gz UZUQUIDURZFSQX-VIFPVBQESA-N 0 0 302.252 3.042 10 5 DGBERN CC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1C)c1nccs1 ZINC000124655025 284262203 /nfs/dbraw/zinc/26/22/03/284262203.db2.gz SZJKNALSXFYLFC-LBPRGKRZSA-N 0 0 319.386 3.170 10 5 DGBERN Cc1cnc(N2CCC[C@@H]2c2noc(C(C)C)n2)c([N+](=O)[O-])c1 ZINC000266238874 205208018 /nfs/dbraw/zinc/20/80/18/205208018.db2.gz WPPAPZHJERYXOY-LLVKDONJSA-N 0 0 317.349 3.146 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(Sc2nc(C)cs2)c1 ZINC000136293398 284499390 /nfs/dbraw/zinc/49/93/90/284499390.db2.gz VQPDJORKYUAPCQ-UHFFFAOYSA-N 0 0 310.356 3.298 10 5 DGBERN C[C@H](Nc1ncc([N+](=O)[O-])cn1)c1cccc(Br)c1 ZINC000040454801 183068553 /nfs/dbraw/zinc/06/85/53/183068553.db2.gz DUGQTOYVWMJRRU-QMMMGPOBSA-N 0 0 323.150 3.320 10 5 DGBERN CN(c1ccccc1)c1ncnc(NC(C)(C)C)c1[N+](=O)[O-] ZINC000040581651 183104841 /nfs/dbraw/zinc/10/48/41/183104841.db2.gz LWYJXEYRZANILW-UHFFFAOYSA-N 0 0 301.350 3.363 10 5 DGBERN CCCCNc1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-] ZINC000040586060 183106264 /nfs/dbraw/zinc/10/62/64/183106264.db2.gz XDKUHWZOFYXYMX-UHFFFAOYSA-N 0 0 313.361 3.291 10 5 DGBERN CC(C)Nc1ncnc(NCc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040597595 183107104 /nfs/dbraw/zinc/10/71/04/183107104.db2.gz OBQKRWDCSNRTNR-UHFFFAOYSA-N 0 0 321.768 3.471 10 5 DGBERN Cc1ccc(Nc2ncnc(N3CCCC3)c2[N+](=O)[O-])c(C)c1 ZINC000040608967 183108877 /nfs/dbraw/zinc/10/88/77/183108877.db2.gz DWMYCTGNHCZHGD-UHFFFAOYSA-N 0 0 313.361 3.345 10 5 DGBERN CCN(CC)c1ncnc(Oc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000040608165 183108912 /nfs/dbraw/zinc/10/89/12/183108912.db2.gz XIMUGVPKOFCFBQ-UHFFFAOYSA-N 0 0 302.334 3.332 10 5 DGBERN CN(c1ccccc1)c1ncnc(Nc2cccnc2)c1[N+](=O)[O-] ZINC000040625282 183110491 /nfs/dbraw/zinc/11/04/91/183110491.db2.gz UHUOMYHACKKRBQ-UHFFFAOYSA-N 0 0 322.328 3.291 10 5 DGBERN O=[N+]([O-])c1cnccc1NCc1ccc(Br)cc1 ZINC000042240029 183245852 /nfs/dbraw/zinc/24/58/52/183245852.db2.gz OSUCGKBSUHEZBQ-UHFFFAOYSA-N 0 0 308.135 3.364 10 5 DGBERN COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000106601036 194236239 /nfs/dbraw/zinc/23/62/39/194236239.db2.gz LILMIRGHKREOFW-JKSUJKDBSA-N 0 0 312.325 3.346 10 5 DGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1F ZINC000050702053 183800920 /nfs/dbraw/zinc/80/09/20/183800920.db2.gz INBINEHJQPPMBM-UHFFFAOYSA-N 0 0 309.684 3.222 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CC[C@@H]1CCCCO1 ZINC000110209380 194315921 /nfs/dbraw/zinc/31/59/21/194315921.db2.gz ZYXJHZNUEWOIGZ-DOMZBBRYSA-N 0 0 318.373 3.222 10 5 DGBERN O=C(NC[C@H]1C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000110440510 194330319 /nfs/dbraw/zinc/33/03/19/194330319.db2.gz LRJIMRUNNIFWTJ-IUODEOHRSA-N 0 0 314.316 3.267 10 5 DGBERN O=C(C/C=C/c1cccc(F)c1)NCc1ccc([N+](=O)[O-])cc1 ZINC000176076140 252699856 /nfs/dbraw/zinc/69/98/56/252699856.db2.gz YWZCIXJTUVVNBS-DUXPYHPUSA-N 0 0 314.316 3.454 10 5 DGBERN CC[C@@H](NC(=O)Nc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000175187302 252687810 /nfs/dbraw/zinc/68/78/10/252687810.db2.gz GVOKQQBEZVKKEE-CQSZACIVSA-N 0 0 300.318 3.263 10 5 DGBERN CC[C@@H](NC(=O)Nc1cc(C)on1)c1cccc([N+](=O)[O-])c1 ZINC000175186207 252688417 /nfs/dbraw/zinc/68/84/17/252688417.db2.gz VTWZEIQIROTQIR-GFCCVEGCSA-N 0 0 304.306 3.164 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CNc1ccccc1 ZINC000119680804 195015938 /nfs/dbraw/zinc/01/59/38/195015938.db2.gz ZJSWUFYLYWCLNO-ZDUSSCGKSA-N 0 0 313.357 3.134 10 5 DGBERN COc1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)ccc1O ZINC000435772623 533004055 /nfs/dbraw/zinc/00/40/55/533004055.db2.gz QOEANOFMVDVSHE-UHFFFAOYSA-N 0 0 321.264 3.092 10 5 DGBERN CCC[C@]1(COC)CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000302839319 252889498 /nfs/dbraw/zinc/88/94/98/252889498.db2.gz ZCOULMDTBUVLFN-CQSZACIVSA-N 0 0 313.785 3.429 10 5 DGBERN COc1cc(NCCCc2c(C)noc2C)ccc1[N+](=O)[O-] ZINC000301555673 533029026 /nfs/dbraw/zinc/02/90/26/533029026.db2.gz IKNPRNFJWPUPTA-UHFFFAOYSA-N 0 0 305.334 3.253 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000338201610 253241233 /nfs/dbraw/zinc/24/12/33/253241233.db2.gz BFROWYPNXDNNOJ-UHFFFAOYSA-N 0 0 313.269 3.002 10 5 DGBERN C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000172136135 533061183 /nfs/dbraw/zinc/06/11/83/533061183.db2.gz VDWAZJLSXHDDIJ-CYBMUJFWSA-N 0 0 319.405 3.482 10 5 DGBERN CC(=O)c1cc(N2CC[C@@H](C(C)(C)C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000286503522 219023245 /nfs/dbraw/zinc/02/32/45/219023245.db2.gz NCNDEEBPLBAIQS-GDBMZVCRSA-N 0 0 320.389 3.031 10 5 DGBERN CC(=O)c1cc(N2CCC=C(c3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000343908096 254201864 /nfs/dbraw/zinc/20/18/64/254201864.db2.gz HPSGGMQMERSGMI-UHFFFAOYSA-N 0 0 323.352 3.486 10 5 DGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C1CCCC1 ZINC000186791840 533141638 /nfs/dbraw/zinc/14/16/38/533141638.db2.gz RJPUPSMKYXHQGA-JTQLQIEISA-N 0 0 307.350 3.304 10 5 DGBERN COc1cc(N[C@@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000271504485 208963637 /nfs/dbraw/zinc/96/36/37/208963637.db2.gz XQRAMUQWEMVKMU-YGRLFVJLSA-N 0 0 312.341 3.358 10 5 DGBERN Cc1cc(N2CC3(CCCC3)OC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000302666446 291930626 /nfs/dbraw/zinc/93/06/26/291930626.db2.gz MQLDMEYQOLSSRS-UHFFFAOYSA-N 0 0 305.378 3.226 10 5 DGBERN C[C@@H](Nc1ccccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000301678557 533561659 /nfs/dbraw/zinc/56/16/59/533561659.db2.gz UCSPTHZJXCVBTD-GFCCVEGCSA-N 0 0 309.329 3.349 10 5 DGBERN CC(C)(C)Oc1cc(CNc2ccc([N+](=O)[O-])cn2)ccn1 ZINC000091674882 400130501 /nfs/dbraw/zinc/13/05/01/400130501.db2.gz DBTUEOFUUCBBMS-UHFFFAOYSA-N 0 0 302.334 3.174 10 5 DGBERN CCCN(Cc1ccc(OC)cc1)c1ccc([N+](=O)[O-])nc1 ZINC000609796963 400191726 /nfs/dbraw/zinc/19/17/26/400191726.db2.gz BHUIDHZWVFARGG-UHFFFAOYSA-N 0 0 301.346 3.415 10 5 DGBERN COCCN(Cc1ccc(C)cc1C)c1ccc([N+](=O)[O-])nc1 ZINC000609797070 400191736 /nfs/dbraw/zinc/19/17/36/400191736.db2.gz XUGQRGBODYLFMQ-UHFFFAOYSA-N 0 0 315.373 3.260 10 5 DGBERN C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000609796759 400191797 /nfs/dbraw/zinc/19/17/97/400191797.db2.gz NSJGJZQWTLPZMV-BBRMVZONSA-N 0 0 312.373 3.237 10 5 DGBERN COc1cc(N[C@H](CO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000092961002 400216077 /nfs/dbraw/zinc/21/60/77/400216077.db2.gz ORGFZQLFZVAFDW-CYBMUJFWSA-N 0 0 322.748 3.402 10 5 DGBERN COCc1cc([N+](=O)[O-])ccc1NC[C@H](C)c1ccncc1 ZINC000610517085 400268965 /nfs/dbraw/zinc/26/89/65/400268965.db2.gz WZXDTMGKIOCNRW-LBPRGKRZSA-N 0 0 301.346 3.352 10 5 DGBERN C[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccncc1 ZINC000610526303 400272066 /nfs/dbraw/zinc/27/20/66/400272066.db2.gz JZPVHFSMOTZPRM-LLVKDONJSA-N 0 0 324.340 3.005 10 5 DGBERN CCN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000589696233 400322518 /nfs/dbraw/zinc/32/25/18/400322518.db2.gz YMVLCSSSVQDGST-JTQLQIEISA-N 0 0 304.268 3.229 10 5 DGBERN C[NH+](C)CCOc1ccc([N+](=O)[O-])c(Oc2ccccc2)c1 ZINC000117649213 400420482 /nfs/dbraw/zinc/42/04/82/400420482.db2.gz RKFSMYDGECLSMX-UHFFFAOYSA-N 0 0 302.330 3.328 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC=C(C(F)(F)F)CC2)n1 ZINC000611617424 400429400 /nfs/dbraw/zinc/42/94/00/400429400.db2.gz RCWQVRSJQRWLIN-UHFFFAOYSA-N 0 0 301.268 3.305 10 5 DGBERN CSCCCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000126164560 400489154 /nfs/dbraw/zinc/48/91/54/400489154.db2.gz ZVXZDBWMBODXOJ-UHFFFAOYSA-N 0 0 323.418 3.042 10 5 DGBERN C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC000612614253 400575455 /nfs/dbraw/zinc/57/54/55/400575455.db2.gz JMAODOWTIHQROX-SNVBAGLBSA-N 0 0 318.308 3.054 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)c1ccccc1F ZINC000045396935 400520114 /nfs/dbraw/zinc/52/01/14/400520114.db2.gz XRPDJFFQXOSVOM-NSHDSACASA-N 0 0 317.320 3.271 10 5 DGBERN Cc1cc(NCCOc2ccc(F)cc2F)ncc1[N+](=O)[O-] ZINC000074748615 400532496 /nfs/dbraw/zinc/53/24/96/400532496.db2.gz JPXUXFDJYBLSGF-UHFFFAOYSA-N 0 0 309.272 3.067 10 5 DGBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1nccs1 ZINC000131620021 400552444 /nfs/dbraw/zinc/55/24/44/400552444.db2.gz HFGFQMWHNSXECN-LLVKDONJSA-N 0 0 305.359 3.241 10 5 DGBERN C[C@@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C1CC1 ZINC000612532177 400559693 /nfs/dbraw/zinc/55/96/93/400559693.db2.gz HKNDRHLLCIMYFJ-QMMMGPOBSA-N 0 0 316.279 3.390 10 5 DGBERN O=C(NC1CC=CC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000612553708 400563677 /nfs/dbraw/zinc/56/36/77/400563677.db2.gz NRIPQWPIKJWAFS-UHFFFAOYSA-N 0 0 300.236 3.062 10 5 DGBERN CCCC[C@H](N[C@@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000135240510 400584670 /nfs/dbraw/zinc/58/46/70/400584670.db2.gz FTJWOCCAHFZHBD-GJZGRUSLSA-N 0 0 308.378 3.367 10 5 DGBERN CC[C@H](NC(=O)[C@H](C)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000155212022 400701227 /nfs/dbraw/zinc/70/12/27/400701227.db2.gz ZQOQWEOQOBXSJK-WBMJQRKESA-N 0 0 320.389 3.225 10 5 DGBERN CCO[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000078360423 400792392 /nfs/dbraw/zinc/79/23/92/400792392.db2.gz WFJIZQJFGTWKNT-NEPJUHHUSA-N 0 0 311.769 3.403 10 5 DGBERN Cc1cnc(N2CCC[C@@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000614150333 400844316 /nfs/dbraw/zinc/84/43/16/400844316.db2.gz QLBWHMXZQIVKQU-VHSXEESVSA-N 0 0 303.284 3.465 10 5 DGBERN O=C(c1cccc([N+](=O)[O-])c1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000174543786 400859466 /nfs/dbraw/zinc/85/94/66/400859466.db2.gz FANNZMGFTANHOR-INIZCTEOSA-N 0 0 318.373 3.159 10 5 DGBERN Cc1cccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c1O ZINC000174944249 400863689 /nfs/dbraw/zinc/86/36/89/400863689.db2.gz XGWNJRJKESQXES-UHFFFAOYSA-N 0 0 311.297 3.342 10 5 DGBERN Cc1ccccc1[C@@]1(F)CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000619704566 400891582 /nfs/dbraw/zinc/89/15/82/400891582.db2.gz JWKKHFGJSZVNFH-MRXNPFEDSA-N 0 0 301.321 3.373 10 5 DGBERN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(C)(C)CC1 ZINC000619740431 400896431 /nfs/dbraw/zinc/89/64/31/400896431.db2.gz RXTBLGLOVOKIMO-UHFFFAOYSA-N 0 0 315.377 3.017 10 5 DGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(C)(C)C ZINC000182928009 400898721 /nfs/dbraw/zinc/89/87/21/400898721.db2.gz WFWPXGRURWELQU-MRVPVSSYSA-N 0 0 316.304 3.361 10 5 DGBERN CN(Cc1ccc(F)cc1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000056459202 400927456 /nfs/dbraw/zinc/92/74/56/400927456.db2.gz IICVTMFXCOEICH-UHFFFAOYSA-N 0 0 317.320 3.076 10 5 DGBERN C[C@@]1(O)CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000408109693 289208945 /nfs/dbraw/zinc/20/89/45/289208945.db2.gz ZPHURSZERTVGNL-GFCCVEGCSA-N 0 0 305.161 3.253 10 5 DGBERN Cc1cc(N2CC[C@](O)(C(F)(F)F)C2)c(Cl)cc1[N+](=O)[O-] ZINC000080647583 400973387 /nfs/dbraw/zinc/97/33/87/400973387.db2.gz DJUWNWGDHLJACS-LLVKDONJSA-N 0 0 324.686 3.060 10 5 DGBERN CC[C@H]1CN(c2cc(OC)cc(F)c2[N+](=O)[O-])CCS1 ZINC000080653078 400974657 /nfs/dbraw/zinc/97/46/57/400974657.db2.gz NMGRRSQQEGHUMZ-JTQLQIEISA-N 0 0 300.355 3.074 10 5 DGBERN Cc1nnc([C@@H](Nc2ccccc2[N+](=O)[O-])c2ccccc2)[nH]1 ZINC000057840304 401032074 /nfs/dbraw/zinc/03/20/74/401032074.db2.gz OGWWBPWTZQUWOQ-HNNXBMFYSA-N 0 0 309.329 3.223 10 5 DGBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCSCC1 ZINC000060847203 401136761 /nfs/dbraw/zinc/13/67/61/401136761.db2.gz AHHMMGRISJIEBP-UHFFFAOYSA-N 0 0 322.411 3.389 10 5 DGBERN O=[N+]([O-])c1cccnc1NCC1CCN(c2ccccc2)CC1 ZINC000359793378 286381431 /nfs/dbraw/zinc/38/14/31/286381431.db2.gz BBRBTHVBAINEBL-UHFFFAOYSA-N 0 0 312.373 3.318 10 5 DGBERN O=[N+]([O-])c1ccc(NC[C@@H]2CCN(c3ccccc3F)C2)cn1 ZINC000359955609 286396711 /nfs/dbraw/zinc/39/67/11/286396711.db2.gz VJRKLOKWNVWSSR-LBPRGKRZSA-N 0 0 316.336 3.067 10 5 DGBERN CSCCC(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000183679121 164958368 /nfs/dbraw/zinc/95/83/68/164958368.db2.gz GOXLZODURUTUID-UHFFFAOYSA-N 0 0 305.359 3.143 10 5 DGBERN COc1cc2c(cc1F)ncnc2Oc1ccccc1[N+](=O)[O-] ZINC000185499147 165005932 /nfs/dbraw/zinc/00/59/32/165005932.db2.gz CUWRKRMEQWLFNM-UHFFFAOYSA-N 0 0 315.260 3.478 10 5 DGBERN O=[N+]([O-])c1cccnc1NCc1ncc(-c2ccccc2)cn1 ZINC000185992983 165024562 /nfs/dbraw/zinc/02/45/62/165024562.db2.gz YHGMFEBIZXNTDK-UHFFFAOYSA-N 0 0 307.313 3.059 10 5 DGBERN CC(=O)[C@@H](C)CCCCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000269404892 432170072 /nfs/dbraw/zinc/17/00/72/432170072.db2.gz VNQPNYWEUUWEFV-ZDUSSCGKSA-N 0 0 320.389 3.039 10 5 DGBERN O=C(NC/C=C/c1ccccc1)NCc1cccc([N+](=O)[O-])c1 ZINC000171852344 432178778 /nfs/dbraw/zinc/17/87/78/432178778.db2.gz HQPPYYNRYOFXCM-WEVVVXLNSA-N 0 0 311.341 3.107 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSC1CCOCC1 ZINC000130906233 196122043 /nfs/dbraw/zinc/12/20/43/196122043.db2.gz VLWVTDCMUODUBD-UHFFFAOYSA-N 0 0 324.402 3.144 10 5 DGBERN CC(C)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000134212357 196371075 /nfs/dbraw/zinc/37/10/75/196371075.db2.gz MTPSCZPDXUPYSI-MRVPVSSYSA-N 0 0 315.167 3.132 10 5 DGBERN C[C@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000176497097 228314640 /nfs/dbraw/zinc/31/46/40/228314640.db2.gz VUWNYSSJXVGKTG-LBPRGKRZSA-N 0 0 313.357 3.145 10 5 DGBERN Cc1ccc([C@H]2CN(Cc3cc(F)ccc3[N+](=O)[O-])CCO2)o1 ZINC000179514618 228351569 /nfs/dbraw/zinc/35/15/69/228351569.db2.gz GVEHCTHAMOMIQR-MRXNPFEDSA-N 0 0 320.320 3.209 10 5 DGBERN CC(C)[C@@H]1C[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000185516620 263636985 /nfs/dbraw/zinc/63/69/85/263636985.db2.gz PGXHFPSUUTWSIX-JKSUJKDBSA-N 0 0 304.390 3.326 10 5 DGBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000247554147 432242179 /nfs/dbraw/zinc/24/21/79/432242179.db2.gz SVDFKSAHPLKSDU-UKRRQHHQSA-N 0 0 310.781 3.392 10 5 DGBERN COc1cc(C(=O)N(C)C[C@@H]2CC=CCC2)cc([N+](=O)[O-])c1C ZINC000359858312 271001718 /nfs/dbraw/zinc/00/17/18/271001718.db2.gz RNJHMNNYUOIZPJ-CYBMUJFWSA-N 0 0 318.373 3.340 10 5 DGBERN CC[C@@H]1C[C@@H](C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)CCO1 ZINC000183047099 432252648 /nfs/dbraw/zinc/25/26/48/432252648.db2.gz FWBDBAYKJYIAGV-SLEUVZQESA-N 0 0 318.373 3.078 10 5 DGBERN CCc1cnc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000173060451 432256431 /nfs/dbraw/zinc/25/64/31/432256431.db2.gz VIWDTVVNOHVJSJ-UHFFFAOYSA-N 0 0 316.342 3.347 10 5 DGBERN CC[C@@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])c1nccs1 ZINC000173112451 432257847 /nfs/dbraw/zinc/25/78/47/432257847.db2.gz HVROZLPUSJLICC-LLVKDONJSA-N 0 0 305.359 3.241 10 5 DGBERN Cc1cn2c(n1)CC[C@@H](Nc1c(C)cc([N+](=O)[O-])cc1Cl)C2 ZINC000302815325 274823384 /nfs/dbraw/zinc/82/33/84/274823384.db2.gz IBWCNRHRFYHOQQ-LLVKDONJSA-N 0 0 320.780 3.488 10 5 DGBERN CCO[C@@H]1C=Cc2cc([N+](=O)[O-])cc(Br)c2O1 ZINC000211673613 276335966 /nfs/dbraw/zinc/33/59/66/276335966.db2.gz YRUJTYZJEFCVDF-JTQLQIEISA-N 0 0 300.108 3.126 10 5 DGBERN CC[C@@H](N[C@H]1CCCn2nc(C)nc21)c1cccc([N+](=O)[O-])c1 ZINC000181260285 276534685 /nfs/dbraw/zinc/53/46/85/276534685.db2.gz IUUJRUUDEBWSHJ-CABCVRRESA-N 0 0 315.377 3.071 10 5 DGBERN COC(=O)c1cc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000302134613 277423633 /nfs/dbraw/zinc/42/36/33/277423633.db2.gz CXEWTJSZCUIVLC-LNSITVRQSA-N 0 0 318.373 3.396 10 5 DGBERN CO[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[C@@H]1C ZINC000302549192 277666196 /nfs/dbraw/zinc/66/61/96/277666196.db2.gz JNNRQNZEQHMFHE-TVQRCGJNSA-N 0 0 318.295 3.475 10 5 DGBERN CC(=O)c1ccc(N(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000156736263 278246560 /nfs/dbraw/zinc/24/65/60/278246560.db2.gz JWLXDAKIGAVCKD-MAZHCROVSA-N 0 0 318.373 3.047 10 5 DGBERN Cc1sc(C(=O)NCCCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000068181320 431115013 /nfs/dbraw/zinc/11/50/13/431115013.db2.gz SSKZXWNFLDGHEF-UHFFFAOYSA-N 0 0 322.361 3.466 10 5 DGBERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078148927 279139536 /nfs/dbraw/zinc/13/95/36/279139536.db2.gz POXPAIZLMVXWEZ-PIGZYNQJSA-N 0 0 324.336 3.049 10 5 DGBERN Cn1cc([C@H]2CCCN2c2ccc([N+](=O)[O-])c3cccnc32)cn1 ZINC000108945927 431164138 /nfs/dbraw/zinc/16/41/38/431164138.db2.gz DCOGKYLBJRVRIC-CQSZACIVSA-N 0 0 323.356 3.218 10 5 DGBERN Cc1ccc(OCC(=O)Nc2ccccc2F)c([N+](=O)[O-])c1 ZINC000007461139 431351513 /nfs/dbraw/zinc/35/15/13/431351513.db2.gz YCWLTXCJOPNGST-UHFFFAOYSA-N 0 0 304.277 3.060 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)c1ccc(Cl)cn1 ZINC000076346298 431544378 /nfs/dbraw/zinc/54/43/78/431544378.db2.gz YYYQNCRDDHEXNQ-UHFFFAOYSA-N 0 0 305.721 3.228 10 5 DGBERN Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1[N+](=O)[O-] ZINC000071973627 280181368 /nfs/dbraw/zinc/18/13/68/280181368.db2.gz NOSDZRIXDGVQLC-WDZFZDKYSA-N 0 0 301.277 3.172 10 5 DGBERN Cc1c(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)cccc1[N+](=O)[O-] ZINC000117578649 280246347 /nfs/dbraw/zinc/24/63/47/280246347.db2.gz OUBKDKLFJDZNIL-MGPLVRAMSA-N 0 0 312.325 3.406 10 5 DGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)[C@@H](C)[C@H](C)O1 ZINC000408443089 288262525 /nfs/dbraw/zinc/26/25/25/288262525.db2.gz MFHXTXXCXQUMOD-WOPDTQHZSA-N 0 0 301.346 3.145 10 5 DGBERN CC1(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCC1 ZINC000122973589 431850461 /nfs/dbraw/zinc/85/04/61/431850461.db2.gz OLMWQYRYWCRMOG-UHFFFAOYSA-N 0 0 317.389 3.459 10 5 DGBERN CCOC(=O)c1ccn2ccnc2c1-c1ccc([N+](=O)[O-])cc1 ZINC000089202618 431861494 /nfs/dbraw/zinc/86/14/94/431861494.db2.gz LQLNPHPICLBLMH-UHFFFAOYSA-N 0 0 311.297 3.086 10 5 DGBERN COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000045132245 431882775 /nfs/dbraw/zinc/88/27/75/431882775.db2.gz RMNKRJSGCLBTLN-UHFFFAOYSA-N 0 0 320.370 3.246 10 5 DGBERN Cc1cc(Oc2ncncc2Br)ccc1[N+](=O)[O-] ZINC000090782994 431895120 /nfs/dbraw/zinc/89/51/20/431895120.db2.gz FDUGKDYXWDROEE-UHFFFAOYSA-N 0 0 310.107 3.248 10 5 DGBERN Cc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3F)ccc2o1 ZINC000054150580 431967407 /nfs/dbraw/zinc/96/74/07/431967407.db2.gz YMTPXQAUAHQFOL-UHFFFAOYSA-N 0 0 315.260 3.436 10 5 DGBERN Cc1sc(C(=O)N[C@H](C)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000054166260 431968632 /nfs/dbraw/zinc/96/86/32/431968632.db2.gz SNEKMBKBRHRCCS-SECBINFHSA-N 0 0 322.361 3.465 10 5 DGBERN C[C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)[S@](C)=O ZINC000128305408 431991281 /nfs/dbraw/zinc/99/12/81/431991281.db2.gz BOHUUKAJKSRVCF-FWCARGHBSA-N 0 0 311.190 3.081 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1Nc1nccc(-c2ccccn2)n1 ZINC000102283602 431992216 /nfs/dbraw/zinc/99/22/16/431992216.db2.gz PSQYYLFCJSRCNH-UHFFFAOYSA-N 0 0 307.313 3.499 10 5 DGBERN CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])c1cc(C)ccc1C ZINC000191522627 432274224 /nfs/dbraw/zinc/27/42/24/432274224.db2.gz RQFFDKKFFOSERE-UHFFFAOYSA-N 0 0 316.361 3.095 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)n1 ZINC000191530658 432274259 /nfs/dbraw/zinc/27/42/59/432274259.db2.gz KSVLSAOSFVNIQB-JHJVBQTASA-N 0 0 322.409 3.002 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]2CCC(C)C)n1 ZINC000191596173 432281055 /nfs/dbraw/zinc/28/10/55/432281055.db2.gz VEZUPAHTKUJNOC-CHWSQXEVSA-N 0 0 322.409 3.146 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CCC2CCCCC2)n1 ZINC000191617608 432284735 /nfs/dbraw/zinc/28/47/35/432284735.db2.gz KSACHFUJUKHOHV-LBPRGKRZSA-N 0 0 322.409 3.290 10 5 DGBERN CCC[C@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccccc1 ZINC000191469274 432266413 /nfs/dbraw/zinc/26/64/13/432266413.db2.gz NSGCFKYBQGTGPX-ZDUSSCGKSA-N 0 0 316.361 3.082 10 5 DGBERN Cn1c(CSc2ccc([N+](=O)[O-])cc2F)nnc1C1CCC1 ZINC000184518022 432399496 /nfs/dbraw/zinc/39/94/96/432399496.db2.gz JLQPIHUYRZVNSW-UHFFFAOYSA-N 0 0 322.365 3.422 10 5 DGBERN O=C(NCc1ccc(C(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000184566943 432405822 /nfs/dbraw/zinc/40/58/22/432405822.db2.gz NLTSCBUZGXADHY-UHFFFAOYSA-N 0 0 306.268 3.462 10 5 DGBERN COc1cccc2c1nc(NCc1cccc([N+](=O)[O-])c1)n2C ZINC000184789642 432432988 /nfs/dbraw/zinc/43/29/88/432432988.db2.gz XTYHKVYRFWXEHY-UHFFFAOYSA-N 0 0 312.329 3.102 10 5 DGBERN Cc1cc(NC(=O)NCc2ccc(Cl)cn2)ccc1[N+](=O)[O-] ZINC000153780080 432443339 /nfs/dbraw/zinc/44/33/39/432443339.db2.gz IVULGEHREDUXGE-UHFFFAOYSA-N 0 0 320.736 3.273 10 5 DGBERN CC1(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCC1 ZINC000153923778 432456059 /nfs/dbraw/zinc/45/60/59/432456059.db2.gz WELMFGFOUSAEKL-UHFFFAOYSA-N 0 0 317.389 3.459 10 5 DGBERN COc1cc(N[C@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000271504481 432409678 /nfs/dbraw/zinc/40/96/78/432409678.db2.gz XQRAMUQWEMVKMU-IINYFYTJSA-N 0 0 312.341 3.358 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000193784136 432498074 /nfs/dbraw/zinc/49/80/74/432498074.db2.gz JKPXVAOOQGYKAK-OAHLLOKOSA-N 0 0 303.362 3.093 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000194063058 432521843 /nfs/dbraw/zinc/52/18/43/432521843.db2.gz BPOSEFZNMJOTJS-JTQLQIEISA-N 0 0 302.252 3.009 10 5 DGBERN Cc1cc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc([N+](=O)[O-])c1 ZINC000194387053 432546253 /nfs/dbraw/zinc/54/62/53/432546253.db2.gz RUZVNNLFKJEADJ-NSHDSACASA-N 0 0 316.279 3.318 10 5 DGBERN Cc1ccc([C@H](C)OC(=O)CC2CCOCC2)cc1[N+](=O)[O-] ZINC000176945510 432567670 /nfs/dbraw/zinc/56/76/70/432567670.db2.gz OTWIGIRQRDKTFN-LBPRGKRZSA-N 0 0 307.346 3.324 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000194749759 432573492 /nfs/dbraw/zinc/57/34/92/432573492.db2.gz QDEAGNGZFVXRSP-JKSUJKDBSA-N 0 0 314.316 3.328 10 5 DGBERN COc1ccccc1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000194764500 432575242 /nfs/dbraw/zinc/57/52/42/432575242.db2.gz SXOGQFNDFWMEKO-UHFFFAOYSA-N 0 0 314.341 3.184 10 5 DGBERN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2cc[nH]c2c1 ZINC000194797316 432576324 /nfs/dbraw/zinc/57/63/24/432576324.db2.gz KCHNBZCJIJRGGN-UHFFFAOYSA-N 0 0 311.297 3.094 10 5 DGBERN Cc1cc(C)cc(OCCCn2cc([N+](=O)[O-])cc(C)c2=O)c1 ZINC000155883385 432577933 /nfs/dbraw/zinc/57/79/33/432577933.db2.gz DUIWDOXGEKCGAQ-UHFFFAOYSA-N 0 0 316.357 3.151 10 5 DGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(C)cc1 ZINC000194853633 432581158 /nfs/dbraw/zinc/58/11/58/432581158.db2.gz MFMSAHZLBGJDHV-MRXNPFEDSA-N 0 0 313.357 3.488 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000194839156 432581248 /nfs/dbraw/zinc/58/12/48/432581248.db2.gz QDEAGNGZFVXRSP-HOTGVXAUSA-N 0 0 314.316 3.328 10 5 DGBERN CCCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000194873701 432582472 /nfs/dbraw/zinc/58/24/72/432582472.db2.gz VCAYHBYQTVUJRA-UHFFFAOYSA-N 0 0 313.357 3.351 10 5 DGBERN Cc1ccc(C(=O)NCCc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000177119510 432587305 /nfs/dbraw/zinc/58/73/05/432587305.db2.gz NZKSXQARJMFIIS-UHFFFAOYSA-N 0 0 320.295 3.154 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000195033263 432595795 /nfs/dbraw/zinc/59/57/95/432595795.db2.gz WXMKHSJEYBCELT-MRVPVSSYSA-N 0 0 321.283 3.067 10 5 DGBERN CCC[C@@H](NCc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000156578101 432600796 /nfs/dbraw/zinc/60/07/96/432600796.db2.gz ZCYBFZHRMJKZKC-CQSZACIVSA-N 0 0 308.378 3.195 10 5 DGBERN CC[C@@H](NC(=O)c1[nH]nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000177793621 432662575 /nfs/dbraw/zinc/66/25/75/432662575.db2.gz BPKJSPWSGULZSZ-CQSZACIVSA-N 0 0 324.340 3.352 10 5 DGBERN CN(C)c1cccc(CN(C)Cc2csc([N+](=O)[O-])c2)c1 ZINC000159834773 432697912 /nfs/dbraw/zinc/69/79/12/432697912.db2.gz MQVAXBABICVPAK-UHFFFAOYSA-N 0 0 305.403 3.354 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(N2CCc3[nH]c4ccccc4c3C2)n1 ZINC000178160410 432700263 /nfs/dbraw/zinc/70/02/63/432700263.db2.gz NCNWEQPKQYEOPN-UHFFFAOYSA-N 0 0 308.341 3.342 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(N[C@H](C)c2ccc3c(c2)OCO3)n1 ZINC000178160950 432701382 /nfs/dbraw/zinc/70/13/82/432701382.db2.gz FEKSUVDHFLMVLR-SNVBAGLBSA-N 0 0 301.302 3.200 10 5 DGBERN CN1CCC[C@@H]1CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000228844330 432720300 /nfs/dbraw/zinc/72/03/00/432720300.db2.gz RLSJZASJDQCAJM-MRVPVSSYSA-N 0 0 304.177 3.408 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)CC(C)(C)C ZINC000188873529 432750308 /nfs/dbraw/zinc/75/03/08/432750308.db2.gz DJKSREKRWMHZMW-NSHDSACASA-N 0 0 307.394 3.490 10 5 DGBERN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CO)c(F)c2)cc1[N+](=O)[O-] ZINC000178562926 432752946 /nfs/dbraw/zinc/75/29/46/432752946.db2.gz BMGFOHJSEZSTJO-GFCCVEGCSA-N 0 0 318.348 3.385 10 5 DGBERN CO[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[C@@H]1C ZINC000275965795 432763282 /nfs/dbraw/zinc/76/32/82/432763282.db2.gz GTYIFXZVBHUDCJ-XHDPSFHLSA-N 0 0 301.346 3.004 10 5 DGBERN CCS[C@@H]1CC[C@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000230922326 432731557 /nfs/dbraw/zinc/73/15/57/432731557.db2.gz KFIAZKKGGSFHKL-DTWKUNHWSA-N 0 0 312.420 3.390 10 5 DGBERN CSCCCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154373616 292678382 /nfs/dbraw/zinc/67/83/82/292678382.db2.gz MJUJNBQJFDYASR-UHFFFAOYSA-N 0 0 319.386 3.016 10 5 DGBERN CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@H](O)CC1CCCC1 ZINC000276403180 432805222 /nfs/dbraw/zinc/80/52/22/432805222.db2.gz AEXQNJNVERVUNP-CQSZACIVSA-N 0 0 307.346 3.117 10 5 DGBERN CC(=O)c1ccc(NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000341135802 432972044 /nfs/dbraw/zinc/97/20/44/432972044.db2.gz YUVKCDFITLIAFH-BETUJISGSA-N 0 0 319.405 3.472 10 5 DGBERN O=[N+]([O-])c1cccc(CNCc2ccn(Cc3ccccc3)n2)c1 ZINC000341252940 433006144 /nfs/dbraw/zinc/00/61/44/433006144.db2.gz IJKRHVKDMQQHBN-UHFFFAOYSA-N 0 0 322.368 3.129 10 5 DGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000480548577 288960227 /nfs/dbraw/zinc/96/02/27/288960227.db2.gz DQLICXYGLWEVEL-SVRRBLITSA-N 0 0 309.675 3.420 10 5 DGBERN CC(C)[C@@H]1CCCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000290748092 433154717 /nfs/dbraw/zinc/15/47/17/433154717.db2.gz MKZXKGQJDLQMLM-AWEZNQCLSA-N 0 0 315.377 3.015 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](C)C1CCOCC1 ZINC000158256892 292765129 /nfs/dbraw/zinc/76/51/29/292765129.db2.gz VFJLWKWJIZDZRM-GFCCVEGCSA-N 0 0 306.362 3.213 10 5 DGBERN CC1(C)CCC(Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301291505 433490390 /nfs/dbraw/zinc/49/03/90/433490390.db2.gz PMLSGCOOQABCCJ-UHFFFAOYSA-N 0 0 319.361 3.306 10 5 DGBERN CCCN(C[C@H]1CCCCO1)c1nc2sccn2c1[N+](=O)[O-] ZINC000301305184 433496623 /nfs/dbraw/zinc/49/66/23/433496623.db2.gz ZQBMXNJGLDLUBS-LLVKDONJSA-N 0 0 324.406 3.090 10 5 DGBERN CC[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1noc(C)n1 ZINC000301464149 433564571 /nfs/dbraw/zinc/56/45/71/433564571.db2.gz GLUJIGQLLSERRM-GFCCVEGCSA-N 0 0 313.317 3.398 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2C[C@](C)(OC)C2(C)C)c1 ZINC000301457242 433565745 /nfs/dbraw/zinc/56/57/45/433565745.db2.gz CJTOMAPZCKTCIE-DOMZBBRYSA-N 0 0 312.341 3.358 10 5 DGBERN CCc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000162134445 292847998 /nfs/dbraw/zinc/84/79/98/292847998.db2.gz HXLFMPVZEHKWMK-UHFFFAOYSA-N 0 0 318.304 3.314 10 5 DGBERN CC(C)N(CCc1nccs1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000163345571 292867036 /nfs/dbraw/zinc/86/70/36/292867036.db2.gz ULPKMXFGVKDIAN-UHFFFAOYSA-N 0 0 319.386 3.145 10 5 DGBERN CCC1(CC)CN(c2c(C)cccc2[N+](=O)[O-])CC[S@]1=O ZINC000302214164 292887042 /nfs/dbraw/zinc/88/70/42/292887042.db2.gz GGSYKWMSNAEKPH-OAQYLSRUSA-N 0 0 310.419 3.031 10 5 DGBERN CC(=O)c1ccc(Nc2ccc3nc(C)cn3c2)c([N+](=O)[O-])c1 ZINC000351770524 433715830 /nfs/dbraw/zinc/71/58/30/433715830.db2.gz PJSAYIBGNJXIMH-UHFFFAOYSA-N 0 0 310.313 3.497 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCCC[C@H](SC)C2)c1 ZINC000301788476 433725158 /nfs/dbraw/zinc/72/51/58/433725158.db2.gz PSNGDLYTRRGSTL-NSHDSACASA-N 0 0 314.382 3.464 10 5 DGBERN C[C@H]1C[C@@H](c2ccccc2)N(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000376236018 293630480 /nfs/dbraw/zinc/63/04/80/293630480.db2.gz ABADGWRYCQQGKF-JSGCOSHPSA-N 0 0 323.356 3.225 10 5 DGBERN COc1cc(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1O ZINC000436262672 433921516 /nfs/dbraw/zinc/92/15/16/433921516.db2.gz QZVGWUYKEKVNDL-UHFFFAOYSA-N 0 0 317.301 3.261 10 5 DGBERN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC12CCC2 ZINC000498460517 294061763 /nfs/dbraw/zinc/06/17/63/294061763.db2.gz BDBSTBWCLXGNTH-UHFFFAOYSA-N 0 0 323.780 3.129 10 5 DGBERN CCOc1ccc(C(=O)N[C@H]2C[C@@]2(C)C(C)C)cc1[N+](=O)[O-] ZINC000458145538 434502274 /nfs/dbraw/zinc/50/22/74/434502274.db2.gz NCUPQLKIXSHWLP-HOCLYGCPSA-N 0 0 306.362 3.158 10 5 DGBERN COc1cc(N2CCC[C@@]3(CCCOC3)C2)c(F)cc1[N+](=O)[O-] ZINC000408067547 434541227 /nfs/dbraw/zinc/54/12/27/434541227.db2.gz MEFJJSUMPRSSRK-MRXNPFEDSA-N 0 0 324.352 3.140 10 5 DGBERN CC1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCCCCC1 ZINC000408168632 434547331 /nfs/dbraw/zinc/54/73/31/434547331.db2.gz KSPZMXNFZOFESQ-UHFFFAOYSA-N 0 0 317.389 3.235 10 5 DGBERN C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H](C)[C@@H](C)O1 ZINC000408442724 434576615 /nfs/dbraw/zinc/57/66/15/434576615.db2.gz KYBYVGIEJKAVLG-GRYCIOLGSA-N 0 0 301.346 3.145 10 5 DGBERN Nc1ccc([N+](=O)[O-])c(N2CCC(OCC3CCCC3)CC2)c1 ZINC000193467729 295355767 /nfs/dbraw/zinc/35/57/67/295355767.db2.gz OBZSHEQSHHVCQO-UHFFFAOYSA-N 0 0 319.405 3.353 10 5 DGBERN CN(C)c1cc(CNc2ccc([N+](=O)[O-])nc2)c2ccccc2n1 ZINC000439717786 434640063 /nfs/dbraw/zinc/64/00/63/434640063.db2.gz VEJKOQMESGXHTA-UHFFFAOYSA-N 0 0 323.356 3.216 10 5 DGBERN Cc1cc(C(=O)Nc2cccc3c2OCCC3)cc([N+](=O)[O-])c1 ZINC000466411138 435076351 /nfs/dbraw/zinc/07/63/51/435076351.db2.gz XHBMQPPXYZIBBF-UHFFFAOYSA-N 0 0 312.325 3.481 10 5 DGBERN CCOc1cc([N+](=O)[O-])cc(OC(F)(F)F)c1OC(F)F ZINC000575657670 435040017 /nfs/dbraw/zinc/04/00/17/435040017.db2.gz PTAPOIKNKMHKMN-UHFFFAOYSA-N 0 0 317.166 3.494 10 5 DGBERN CC(=O)c1cc(OC(F)F)c(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000575667333 435041923 /nfs/dbraw/zinc/04/19/23/435041923.db2.gz MLEYMNPQUOIXJS-UHFFFAOYSA-N 0 0 315.150 3.297 10 5 DGBERN COc1cc([N+](=O)[O-])c(OC(F)(F)F)cc1OC(F)F ZINC000575668106 435042091 /nfs/dbraw/zinc/04/20/91/435042091.db2.gz QZAMNLWFGGIESV-UHFFFAOYSA-N 0 0 303.139 3.103 10 5 DGBERN CCOC(=O)Cc1c(Cl)cc([N+](=O)[O-])cc1Br ZINC000575699110 435046692 /nfs/dbraw/zinc/04/66/92/435046692.db2.gz CLFNTDGXDKBQKA-UHFFFAOYSA-N 0 0 322.542 3.116 10 5 DGBERN CCOC(=O)Cc1cc([N+](=O)[O-])c(Br)cc1Cl ZINC000575699014 435046938 /nfs/dbraw/zinc/04/69/38/435046938.db2.gz ALWKVDJZTQBVQT-UHFFFAOYSA-N 0 0 322.542 3.116 10 5 DGBERN CSc1cc([N+](=O)[O-])cc(I)c1F ZINC000575707138 435049014 /nfs/dbraw/zinc/04/90/14/435049014.db2.gz LYSHKRYAKDMSNH-UHFFFAOYSA-N 0 0 313.091 3.060 10 5 DGBERN CCc1ccc([C@H]2CN(c3ccc([N+](=O)[O-])nc3)CCO2)cc1 ZINC000477794272 435279367 /nfs/dbraw/zinc/27/93/67/435279367.db2.gz CNFVVEFZWVPSHJ-MRXNPFEDSA-N 0 0 313.357 3.130 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000281942454 301852463 /nfs/dbraw/zinc/85/24/63/301852463.db2.gz RSKWAZJBEGGZQB-JJRVBVJISA-N 0 0 304.390 3.423 10 5 DGBERN Cc1nn(C)c(C)c1[C@H]1CCCN1c1cccc(F)c1[N+](=O)[O-] ZINC000108951173 302777275 /nfs/dbraw/zinc/77/72/75/302777275.db2.gz OWXXJSVZFYPELA-CYBMUJFWSA-N 0 0 318.352 3.426 10 5 DGBERN CN(C[C@H]1CC=CCC1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000542269578 314066773 /nfs/dbraw/zinc/06/67/73/314066773.db2.gz BOKIOPYCIOVBMT-HNNXBMFYSA-N 0 0 317.389 3.135 10 5 DGBERN Cc1c(Cc2noc(CCOCC(C)C)n2)cccc1[N+](=O)[O-] ZINC000545080246 314225383 /nfs/dbraw/zinc/22/53/83/314225383.db2.gz WCTVETVGNPMDMN-UHFFFAOYSA-N 0 0 319.361 3.092 10 5 DGBERN O=C(N[C@H]1C=CCCC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000564324805 315169153 /nfs/dbraw/zinc/16/91/53/315169153.db2.gz IKQVOHQNTMFITE-VIFPVBQESA-N 0 0 314.263 3.452 10 5 DGBERN CCOC(=O)CCCOc1cc(CSC)cc([N+](=O)[O-])c1 ZINC000584600441 337370683 /nfs/dbraw/zinc/37/06/83/337370683.db2.gz ARDZNMUVTABMBV-UHFFFAOYSA-N 0 0 313.375 3.180 10 5 DGBERN O=[N+]([O-])c1ccc2c(ccn2-c2ncc(C(F)(F)F)cn2)c1 ZINC000584618343 337373239 /nfs/dbraw/zinc/37/32/39/337373239.db2.gz HORDVLOQXZSCDQ-UHFFFAOYSA-N 0 0 308.219 3.348 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccccc2OC)c1 ZINC000302121471 534246342 /nfs/dbraw/zinc/24/63/42/534246342.db2.gz YBHUKNXEEBNGMU-UHFFFAOYSA-N 0 0 316.313 3.002 10 5 DGBERN O=[N+]([O-])c1cccc(F)c1CN1CCO[C@H](c2cccs2)C1 ZINC000157745988 527390026 /nfs/dbraw/zinc/39/00/26/527390026.db2.gz XHWZWLMORVHPLU-AWEZNQCLSA-N 0 0 322.361 3.369 10 5 DGBERN CC(=O)c1csc(C(=O)OCc2csc([N+](=O)[O-])c2)c1 ZINC000730353649 574527549 /nfs/dbraw/zinc/52/75/49/574527549.db2.gz RSFPGKOTDORYQA-UHFFFAOYSA-N 0 0 311.340 3.277 10 5 DGBERN CCOc1ccc(C(=O)NC[C@@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000734338579 574656639 /nfs/dbraw/zinc/65/66/39/574656639.db2.gz HOTIFCFJPOTBRQ-LLVKDONJSA-N 0 0 308.378 3.406 10 5 DGBERN O=C(Cc1cccc(O)c1)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734894571 574682270 /nfs/dbraw/zinc/68/22/70/574682270.db2.gz IPVBOOKXBYTSGD-UHFFFAOYSA-N 0 0 321.716 3.240 10 5 DGBERN Cc1cc(CN(C)c2nc3ccc([N+](=O)[O-])cc3s2)no1 ZINC000729630418 575258267 /nfs/dbraw/zinc/25/82/67/575258267.db2.gz KGIBCSWFIFJOMB-UHFFFAOYSA-N 0 0 304.331 3.137 10 5 DGBERN COC(=O)/C(=C/C=C\c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000728156910 576164837 /nfs/dbraw/zinc/16/48/37/576164837.db2.gz JAVRPDHHIDTWLL-QUGKNYOSSA-N 0 0 310.309 3.260 10 5 DGBERN CC[C@H](NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])c1nccs1 ZINC000150785498 620398085 /nfs/dbraw/zinc/39/80/85/620398085.db2.gz KNYZYOQHGDTKJG-NSHDSACASA-N 0 0 323.349 3.380 10 5 DGBERN O=C(OCCc1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000151198426 620428019 /nfs/dbraw/zinc/42/80/19/620428019.db2.gz WFQOOKOGCODJDO-UHFFFAOYSA-N 0 0 307.252 3.273 10 5 DGBERN Cc1ccc(CC(=O)OCCc2ccccc2[N+](=O)[O-])s1 ZINC000151191162 620429467 /nfs/dbraw/zinc/42/94/67/620429467.db2.gz CVACOKGDDKZHIT-UHFFFAOYSA-N 0 0 305.355 3.293 10 5 DGBERN Cc1c(OC[C@H](O)c2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000154020573 620632460 /nfs/dbraw/zinc/63/24/60/620632460.db2.gz LSUDMBAWAVWEIA-AWEZNQCLSA-N 0 0 309.268 3.294 10 5 DGBERN CC[C@@H]1CCC[C@H](OC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000115920212 621159249 /nfs/dbraw/zinc/15/92/49/621159249.db2.gz UBUDASMVOUWZFT-OLZOCXBDSA-N 0 0 309.366 3.002 10 5 DGBERN CCCCC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000119631254 621706591 /nfs/dbraw/zinc/70/65/91/621706591.db2.gz ZYYHQNRXHIBPRB-UHFFFAOYSA-N 0 0 301.140 3.486 10 5 DGBERN CCc1noc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000121081521 622128127 /nfs/dbraw/zinc/12/81/27/622128127.db2.gz PFMGCXJYYVIEGD-UHFFFAOYSA-N 0 0 309.709 3.359 10 5 DGBERN Cc1ccc([C@H](C)OC(=O)c2cncc(F)c2)cc1[N+](=O)[O-] ZINC000125223523 623397336 /nfs/dbraw/zinc/39/73/36/623397336.db2.gz ZTLZMNYJLHPUDO-JTQLQIEISA-N 0 0 304.277 3.355 10 5 DGBERN CCOc1cc(C(=O)O[C@@H](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000127261197 624332576 /nfs/dbraw/zinc/33/25/76/624332576.db2.gz PDZZWHYMSXMMPB-JTQLQIEISA-N 0 0 311.334 3.203 10 5 DGBERN Cc1nnc(COc2cc(Cl)ccc2[N+](=O)[O-])n1C1CC1 ZINC000130658920 625885565 /nfs/dbraw/zinc/88/55/65/625885565.db2.gz AEXRQDUZYSRKGG-UHFFFAOYSA-N 0 0 308.725 3.062 10 5 DGBERN CC(C)(C)OC(=O)NCCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000221534929 627219685 /nfs/dbraw/zinc/21/96/85/627219685.db2.gz JUISIDIDWNISJO-UHFFFAOYSA-N 0 0 313.329 3.061 10 5 DGBERN O=C(NCC[C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000704850840 660822556 /nfs/dbraw/zinc/82/25/56/660822556.db2.gz ZFBZHRXRHSTNCI-SECBINFHSA-N 0 0 314.794 3.121 10 5 DGBERN O=C(NCC[C@H]1CCSC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000704867185 660823153 /nfs/dbraw/zinc/82/31/53/660823153.db2.gz ZTJZCGMTFUPMFS-VIFPVBQESA-N 0 0 314.794 3.121 10 5 DGBERN O=[N+]([O-])c1cc(CN2C[C@H]3CCC[C@H]32)ccc1Br ZINC000706738258 660870017 /nfs/dbraw/zinc/87/00/17/660870017.db2.gz LLZRJQUFJUGYJC-ZYHUDNBSSA-N 0 0 311.179 3.342 10 5 DGBERN CC(C)(C)[S@@](C)(=O)=NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000710152402 660931957 /nfs/dbraw/zinc/93/19/57/660931957.db2.gz FEZNPZGPBBZRHP-HXUWFJFHSA-N 0 0 318.782 3.285 10 5 DGBERN CC(C)(C)[S@@](C)(=O)=NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000710154804 660932139 /nfs/dbraw/zinc/93/21/39/660932139.db2.gz PCUKESQARARCOJ-HXUWFJFHSA-N 0 0 318.782 3.285 10 5 DGBERN Cc1ccc(CC(=O)NO[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178158497 655715962 /nfs/dbraw/zinc/71/59/62/655715962.db2.gz VDQDALCEMYCJJR-ZDUSSCGKSA-N 0 0 314.341 3.255 10 5 DGBERN O=[N+]([O-])c1ccccc1OS(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000255517071 655784454 /nfs/dbraw/zinc/78/44/54/655784454.db2.gz LEPXISUQDMKQSB-KTKRTIGZSA-N 0 0 323.301 3.113 10 5 DGBERN COc1ccccc1[C@H](O)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000052047098 655801445 /nfs/dbraw/zinc/80/14/45/655801445.db2.gz LYMLULNXQMRMFV-OAHLLOKOSA-N 0 0 302.330 3.057 10 5 DGBERN O=[N+]([O-])c1ccc(OS(=O)(=O)/C=C\c2ccccc2)cc1F ZINC000255840977 655910709 /nfs/dbraw/zinc/91/07/09/655910709.db2.gz DNFVMYJKJGGAML-HJWRWDBZSA-N 0 0 323.301 3.113 10 5 DGBERN CC(C)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000036841434 661205042 /nfs/dbraw/zinc/20/50/42/661205042.db2.gz PAIRIVCSJXUHPA-ZDUSSCGKSA-N 0 0 319.405 3.359 10 5 DGBERN O=[N+]([O-])c1ccc(F)cc1CN1CCO[C@H](c2cccs2)C1 ZINC000177759054 655945927 /nfs/dbraw/zinc/94/59/27/655945927.db2.gz ZKYYDSBATWKZGE-AWEZNQCLSA-N 0 0 322.361 3.369 10 5 DGBERN C[C@H](COc1ccccc1)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000066522089 655953229 /nfs/dbraw/zinc/95/32/29/655953229.db2.gz WFRDSRWZLBKTGO-GFCCVEGCSA-N 0 0 301.298 3.219 10 5 DGBERN COc1cc(C(=O)OC[C@@H]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000072510602 655991786 /nfs/dbraw/zinc/99/17/86/655991786.db2.gz ZGBMRPIIXSLHPV-LLVKDONJSA-N 0 0 321.329 3.125 10 5 DGBERN O=C(Cc1cc(F)ccc1F)OCCc1ccccc1[N+](=O)[O-] ZINC000178306074 656041617 /nfs/dbraw/zinc/04/16/17/656041617.db2.gz LGLJLEFIALBXLV-UHFFFAOYSA-N 0 0 321.279 3.201 10 5 DGBERN CCc1noc(C)c1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000162517801 656157922 /nfs/dbraw/zinc/15/79/22/656157922.db2.gz QYMOCAUOKXPQFT-UHFFFAOYSA-N 0 0 309.709 3.359 10 5 DGBERN COc1ccccc1[C@H](O)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000178869564 657092657 /nfs/dbraw/zinc/09/26/57/657092657.db2.gz VXURUBYRQOPOFH-CYBMUJFWSA-N 0 0 324.283 3.027 10 5 DGBERN C[C@@H](Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)c1cn(C)nn1 ZINC000720567504 657933534 /nfs/dbraw/zinc/93/35/34/657933534.db2.gz OWCFCZDDHFGVSC-ZCFIWIBFSA-N 0 0 316.148 3.203 10 5 DGBERN O=[N+]([O-])c1ccc(OS(=O)(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000175177389 658863754 /nfs/dbraw/zinc/86/37/54/658863754.db2.gz XULRCYCJZYXJMK-MDZDMXLPSA-N 0 0 323.301 3.113 10 5 DGBERN CCc1ccc(OC(=O)[C@@H](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000166562848 659034559 /nfs/dbraw/zinc/03/45/59/659034559.db2.gz INJBCHOTPJXGJH-NSHDSACASA-N 0 0 307.346 3.125 10 5 DGBERN C[C@@H]1CC[C@@H](C)N(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000173783624 659400555 /nfs/dbraw/zinc/40/05/55/659400555.db2.gz OQJODMMVAKEBAY-GHMZBOCLSA-N 0 0 303.362 3.104 10 5 DGBERN C[C@H](OC(=O)CCC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000174108642 659414459 /nfs/dbraw/zinc/41/44/59/659414459.db2.gz MTZHANPZWUHYQT-LBPRGKRZSA-N 0 0 307.346 3.406 10 5 DGBERN COc1cccc(CC(=O)O[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000047176158 661872683 /nfs/dbraw/zinc/87/26/83/661872683.db2.gz HUDDVZLKNNGIDG-GFCCVEGCSA-N 0 0 315.325 3.450 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1nc(C(C)(C)C)no1 ZINC000076940848 662013602 /nfs/dbraw/zinc/01/36/02/662013602.db2.gz DUXWVUPFTXFLGC-SNVBAGLBSA-N 0 0 316.361 3.227 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1nc(C(C)(C)C)no1 ZINC000076940852 662013663 /nfs/dbraw/zinc/01/36/63/662013663.db2.gz DUXWVUPFTXFLGC-JTQLQIEISA-N 0 0 316.361 3.227 10 5 DGBERN O=C1N[C@@H](c2ccccc2[N+](=O)[O-])Nc2cc(Cl)ccc21 ZINC000078542369 662074737 /nfs/dbraw/zinc/07/47/37/662074737.db2.gz MLTDYUKZSQGWFH-ZDUSSCGKSA-N 0 0 303.705 3.102 10 5 DGBERN Cc1ccc(OC(=O)c2scnc2C2CC2)c([N+](=O)[O-])c1 ZINC000089739720 662247423 /nfs/dbraw/zinc/24/74/23/662247423.db2.gz PLQQGLGYVUOVFE-UHFFFAOYSA-N 0 0 304.327 3.456 10 5 DGBERN CC[C@H](NC(=O)Cc1csc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000090466265 662264365 /nfs/dbraw/zinc/26/43/65/662264365.db2.gz HWBUVAJNVRVOOS-AWEZNQCLSA-N 0 0 319.386 3.170 10 5 DGBERN COC(=O)c1coc(CNc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000228160769 1177336704 /nfs/dbraw/zinc/33/67/04/1177336704.db2.gz YCHJSGOZJSRTAF-UHFFFAOYSA-N 0 0 310.693 3.240 10 5 DGBERN O=C(Nc1ccc(O)cc1Cl)c1ccc([N+](=O)[O-])cc1F ZINC000070334225 1195863080 /nfs/dbraw/zinc/86/30/80/1195863080.db2.gz QOPLJGPJKOZYDE-UHFFFAOYSA-N 0 0 310.668 3.345 10 5 DGBERN C[C@H](Cc1ccsc1)N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000081398094 1197214635 /nfs/dbraw/zinc/21/46/35/1197214635.db2.gz ZGCAJXSSDGRJDS-SNVBAGLBSA-N 0 0 322.361 3.499 10 5 DGBERN C[C@H](Cc1ccsc1)N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000081397490 1197214646 /nfs/dbraw/zinc/21/46/46/1197214646.db2.gz QUTWKZNRWLLYPA-GFCCVEGCSA-N 0 0 318.398 3.288 10 5 DGBERN Cc1ccc(CNc2ncc(Br)cc2[N+](=O)[O-])nc1 ZINC000400818950 1199365806 /nfs/dbraw/zinc/36/58/06/1199365806.db2.gz BMXVWSVIOGPLCR-UHFFFAOYSA-N 0 0 323.150 3.068 10 5 DGBERN COc1cc(Sc2ccccc2O)c([N+](=O)[O-])cc1OC ZINC000213712606 1201188661 /nfs/dbraw/zinc/18/86/61/1201188661.db2.gz VRDQPAIYZJMYOR-UHFFFAOYSA-N 0 0 307.327 3.469 10 5 DGBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)c1ncc[nH]1 ZINC000139849818 1202459763 /nfs/dbraw/zinc/45/97/63/1202459763.db2.gz QESXTAMXKJZQAS-SSDOTTSWSA-N 0 0 311.139 3.254 10 5 DGBERN C[C@@H](Cc1ccsc1)N(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000175108022 1203917707 /nfs/dbraw/zinc/91/77/07/1203917707.db2.gz FRHLLSPHMXEZDX-VIFPVBQESA-N 0 0 310.400 3.421 10 5 DGBERN O=[N+]([O-])c1ccc(NS(=O)(=O)/C=C\c2ccc(F)cc2)cc1 ZINC000588421885 1082214674 /nfs/dbraw/zinc/21/46/74/1082214674.db2.gz QLYDFWDYVMEYFR-KTKRTIGZSA-N 0 0 322.317 3.147 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1cccc(C)n1 ZINC000588438800 1082284274 /nfs/dbraw/zinc/28/42/74/1082284274.db2.gz XLHXTYUTZVKSEM-QXMHVHEDSA-N 0 0 311.341 3.365 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(C)n1 ZINC000588444744 1082288982 /nfs/dbraw/zinc/28/89/82/1082288982.db2.gz BDIMSKLOGIRJOK-BENRWUELSA-N 0 0 311.341 3.018 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC1C[C@H](C)O[C@@H](C)C1 ZINC000588448966 1082320687 /nfs/dbraw/zinc/32/06/87/1082320687.db2.gz FMLDBEVYYFTDGC-WDSMJVJCSA-N 0 0 319.357 3.497 10 5 DGBERN O=[N+]([O-])c1ccc(CCN2CCC=C(Br)C2)cc1 ZINC000404199355 1082631840 /nfs/dbraw/zinc/63/18/40/1082631840.db2.gz JDJHQQDYWYXJEE-UHFFFAOYSA-N 0 0 311.179 3.122 10 5 DGBERN CC(C)[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079411695 185169938 /nfs/dbraw/zinc/16/99/38/185169938.db2.gz QZUGGIOYMJOTNB-MRVPVSSYSA-N 0 0 304.268 3.388 10 5 DGBERN Cc1ccc(CN(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)o1 ZINC000083128038 185213546 /nfs/dbraw/zinc/21/35/46/185213546.db2.gz LQCMRZMUFUGFMI-UHFFFAOYSA-N 0 0 301.302 3.269 10 5 DGBERN CC[C@H](NC(=O)c1ccc(F)cn1)c1cccc([N+](=O)[O-])c1 ZINC000183015547 529567372 /nfs/dbraw/zinc/56/73/72/529567372.db2.gz CALTYZMVECWCAU-ZDUSSCGKSA-N 0 0 303.293 3.010 10 5 DGBERN CC[C@H](NC(=O)NCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000090068849 185280731 /nfs/dbraw/zinc/28/07/31/185280731.db2.gz IFRCRILKQMIDSJ-AWEZNQCLSA-N 0 0 303.318 3.138 10 5 DGBERN CCc1nc(C(C)(C)NC/C=C/c2ccccc2[N+](=O)[O-])no1 ZINC000441198558 529714021 /nfs/dbraw/zinc/71/40/21/529714021.db2.gz MJOQLLVLYKVAHS-VQHVLOKHSA-N 0 0 316.361 3.078 10 5 DGBERN CCC[C@H]1C[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000226363062 201778363 /nfs/dbraw/zinc/77/83/63/201778363.db2.gz ZLZDQGZVYQEPIT-XVKPBYJWSA-N 0 0 300.156 3.353 10 5 DGBERN O=c1[nH]c(NCC2CCCCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000286956551 219244201 /nfs/dbraw/zinc/24/42/01/219244201.db2.gz MYRBIIFXGYMLSQ-UHFFFAOYSA-N 0 0 302.334 3.236 10 5 DGBERN COC(=O)[C@H](C)CSc1c2ccccc2ncc1[N+](=O)[O-] ZINC000130338821 185957540 /nfs/dbraw/zinc/95/75/40/185957540.db2.gz LQQLCOLBBHMWQB-SECBINFHSA-N 0 0 306.343 3.044 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)[C@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000177851763 186193575 /nfs/dbraw/zinc/19/35/75/186193575.db2.gz UDCYLFZNTVPSEY-CHWSQXEVSA-N 0 0 313.357 3.279 10 5 DGBERN Cc1cnc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000177871090 186196614 /nfs/dbraw/zinc/19/66/14/186196614.db2.gz BAYXIEYBLIUELX-SNVBAGLBSA-N 0 0 305.359 3.159 10 5 DGBERN CC(=O)c1cc(N2CC[C@@]3(C)[C@@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000292049887 222808277 /nfs/dbraw/zinc/80/82/77/222808277.db2.gz VXZZASGSFLMJCL-KGLIPLIRSA-N 0 0 310.300 3.279 10 5 DGBERN O=C(N[C@@H](c1ccco1)c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000072769073 191227665 /nfs/dbraw/zinc/22/76/65/191227665.db2.gz YHCVTYUBPYQCBK-OAHLLOKOSA-N 0 0 312.281 3.300 10 5 DGBERN CC(C)(C)c1nnc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000005293449 181227062 /nfs/dbraw/zinc/22/70/62/181227062.db2.gz FAUXWWOHMVKABI-UHFFFAOYSA-N 0 0 321.362 3.388 10 5 DGBERN CCOc1ccc([N+](=O)[O-])c(NC(=O)c2ccccc2F)c1 ZINC000005316696 181228877 /nfs/dbraw/zinc/22/88/77/181228877.db2.gz SSPJTXWYMSFUDD-UHFFFAOYSA-N 0 0 304.277 3.385 10 5 DGBERN Cc1cnc(OCc2ccc(Br)cn2)c([N+](=O)[O-])c1 ZINC000179270677 432052415 /nfs/dbraw/zinc/05/24/15/432052415.db2.gz FFTLBGZOQCZRNW-UHFFFAOYSA-N 0 0 324.134 3.035 10 5 DGBERN CCc1cccc(C)c1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000005471651 181247588 /nfs/dbraw/zinc/24/75/88/181247588.db2.gz SRMQOWKMOUVKQX-UHFFFAOYSA-N 0 0 310.309 3.266 10 5 DGBERN O=[N+]([O-])c1ccccc1OCc1ccn(-c2ccc(F)cc2)n1 ZINC000133222314 432059519 /nfs/dbraw/zinc/05/95/19/432059519.db2.gz FEVYJPXQBDJNDF-UHFFFAOYSA-N 0 0 313.288 3.499 10 5 DGBERN Cn1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c2cc(F)ccc21 ZINC000435466238 238311768 /nfs/dbraw/zinc/31/17/68/238311768.db2.gz SVRILWGVSMBVPO-UHFFFAOYSA-N 0 0 313.288 3.478 10 5 DGBERN C[C@@H]1C[C@@H](C(=O)N2CCCc3c([N+](=O)[O-])cccc32)C[C@H](C)O1 ZINC000246117399 432097240 /nfs/dbraw/zinc/09/72/40/432097240.db2.gz KCYNWFYDQIBXJY-CLLJXQQHSA-N 0 0 318.373 3.078 10 5 DGBERN Cc1sc(C(=O)Nc2cc([C@H]3C[C@@H]3C)[nH]n2)cc1[N+](=O)[O-] ZINC000194555874 201251418 /nfs/dbraw/zinc/25/14/18/201251418.db2.gz CAHUCPHKCMKZLT-XPUUQOCRSA-N 0 0 306.347 3.064 10 5 DGBERN O=C(c1ccc(F)c([N+](=O)[O-])c1)c1ccc(F)c([N+](=O)[O-])c1 ZINC000091368740 193047455 /nfs/dbraw/zinc/04/74/55/193047455.db2.gz DFXIDTCNFSIEII-UHFFFAOYSA-N 0 0 308.196 3.012 10 5 DGBERN O=C(Nc1ccc2c(c1)COC2)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000092050069 193148636 /nfs/dbraw/zinc/14/86/36/193148636.db2.gz OONJZVFAXAZECZ-UHFFFAOYSA-N 0 0 323.308 3.359 10 5 DGBERN CSCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000079140976 283875429 /nfs/dbraw/zinc/87/54/29/283875429.db2.gz JRJDCIQLPVITDV-UHFFFAOYSA-N 0 0 323.399 3.328 10 5 DGBERN CC[C@@H](NC(=O)c1c(C)ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000190027983 432114455 /nfs/dbraw/zinc/11/44/55/432114455.db2.gz VZQBHZLVBISLSR-CQSZACIVSA-N 0 0 301.346 3.123 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(F)ccc1F ZINC000103377026 284028930 /nfs/dbraw/zinc/02/89/30/284028930.db2.gz GTJCBGZHAGSUBY-SECBINFHSA-N 0 0 318.279 3.464 10 5 DGBERN COc1cc(COc2ccc([N+](=O)[O-])c3ncccc23)ccn1 ZINC000471885475 244262685 /nfs/dbraw/zinc/26/26/85/244262685.db2.gz PVKMMQHSBUHFSU-UHFFFAOYSA-N 0 0 311.297 3.126 10 5 DGBERN O=[N+]([O-])c1ccc(NC[C@@H](CO)c2ccccc2)c2ccncc21 ZINC000487636690 245086457 /nfs/dbraw/zinc/08/64/57/245086457.db2.gz GOTKLICUAHPHAY-AWEZNQCLSA-N 0 0 323.352 3.331 10 5 DGBERN CNC(=O)c1ccccc1Sc1ccc(C)cc1[N+](=O)[O-] ZINC000013646013 181873275 /nfs/dbraw/zinc/87/32/75/181873275.db2.gz NXQVAVZAULOMGQ-UHFFFAOYSA-N 0 0 302.355 3.414 10 5 DGBERN CCc1noc(C)c1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000127006765 284324237 /nfs/dbraw/zinc/32/42/37/284324237.db2.gz YGLUBDUXRQGNAK-UHFFFAOYSA-N 0 0 309.709 3.359 10 5 DGBERN CC(C)c1nc([C@H]2CCCN2c2ccc([N+](=O)[O-])cc2)no1 ZINC000271678579 209119998 /nfs/dbraw/zinc/11/99/98/209119998.db2.gz YPKOSCFWUIIHCQ-CYBMUJFWSA-N 0 0 302.334 3.443 10 5 DGBERN CSCCCCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127886205 284356454 /nfs/dbraw/zinc/35/64/54/284356454.db2.gz ZMIVNVVSMIOUSS-UHFFFAOYSA-N 0 0 311.407 3.476 10 5 DGBERN Cc1nc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000019945157 182168668 /nfs/dbraw/zinc/16/86/68/182168668.db2.gz PWYDJFSMOUGFRI-UHFFFAOYSA-N 0 0 305.721 3.133 10 5 DGBERN CC(C)[C@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000135045569 284458930 /nfs/dbraw/zinc/45/89/30/284458930.db2.gz WLZOPAVECURWRN-VIFPVBQESA-N 0 0 314.183 3.235 10 5 DGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000135044952 284459135 /nfs/dbraw/zinc/45/91/35/284459135.db2.gz QRPOJHLYUBWNSJ-MFKMUULPSA-N 0 0 324.402 3.004 10 5 DGBERN COC(=O)c1cc(N2CC[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000301576357 284531720 /nfs/dbraw/zinc/53/17/20/284531720.db2.gz NSLXOUYDSNLPOX-BXUZGUMPSA-N 0 0 304.346 3.150 10 5 DGBERN O=[N+]([O-])c1c(Cl)ncnc1Nc1cccc2cccnc21 ZINC000040571267 183104528 /nfs/dbraw/zinc/10/45/28/183104528.db2.gz DFSFFAKUPZYRSU-UHFFFAOYSA-N 0 0 301.693 3.330 10 5 DGBERN CN(C)c1ncnc(Oc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000040583404 183105300 /nfs/dbraw/zinc/10/53/00/183105300.db2.gz YBYYTFHBYJAXCQ-UHFFFAOYSA-N 0 0 310.313 3.396 10 5 DGBERN CCCNc1ncnc(Nc2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000040597165 183107094 /nfs/dbraw/zinc/10/70/94/183107094.db2.gz YPKUSDKNADMHBG-UHFFFAOYSA-N 0 0 309.276 3.229 10 5 DGBERN CC(C)Nc1ncnc(NCc2ccccc2Cl)c1[N+](=O)[O-] ZINC000040597799 183107190 /nfs/dbraw/zinc/10/71/90/183107190.db2.gz AWWHDZMTBPREES-UHFFFAOYSA-N 0 0 321.768 3.471 10 5 DGBERN COc1cc(N2CCO[C@@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000268391364 206681761 /nfs/dbraw/zinc/68/17/61/206681761.db2.gz MJOSUMWFCDKFMX-CQSZACIVSA-N 0 0 320.370 3.243 10 5 DGBERN COC(=O)c1cnc(/C=C/c2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000106586772 194234707 /nfs/dbraw/zinc/23/47/07/194234707.db2.gz CALXRGGJZLOAFL-GQCTYLIASA-N 0 0 320.326 3.017 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CC[C@@H]1CCCCO1 ZINC000110209383 194316185 /nfs/dbraw/zinc/31/61/85/194316185.db2.gz ZYXJHZNUEWOIGZ-WFASDCNBSA-N 0 0 318.373 3.222 10 5 DGBERN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1C[C@H]1c1ccccc1 ZINC000110445652 194331284 /nfs/dbraw/zinc/33/12/84/194331284.db2.gz AWZGZIZNDGCVLJ-HOTGVXAUSA-N 0 0 310.353 3.057 10 5 DGBERN CCOC(=O)c1cnc2cc([N+](=O)[O-])ccc2c1N(CC)CC ZINC000053994955 183919535 /nfs/dbraw/zinc/91/95/35/183919535.db2.gz RMFZMTXVBVOPLX-UHFFFAOYSA-N 0 0 317.345 3.166 10 5 DGBERN Cc1cccc(C(=O)N(C)CCc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000055371050 183982768 /nfs/dbraw/zinc/98/27/68/183982768.db2.gz GPZPVQOTRLOEEB-UHFFFAOYSA-N 0 0 316.332 3.357 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCOC3(CCCCC3)C2)n1 ZINC000408171720 291825652 /nfs/dbraw/zinc/82/56/52/291825652.db2.gz MXOURXHOIUJHFI-UHFFFAOYSA-N 0 0 305.378 3.146 10 5 DGBERN CC[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1cccc([N+](=O)[O-])c1 ZINC000175456878 252692166 /nfs/dbraw/zinc/69/21/66/252692166.db2.gz ZUUVMTLXRGAWSV-CQSZACIVSA-N 0 0 324.340 3.352 10 5 DGBERN O=[N+]([O-])c1ccc(-c2cc(C(F)(F)F)[nH]c(=S)n2)cc1 ZINC000062202992 285104251 /nfs/dbraw/zinc/10/42/51/285104251.db2.gz YBUSTIFYJKDXFB-UHFFFAOYSA-N 0 0 301.249 3.359 10 5 DGBERN COc1ccc(C(=O)NC/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000254944094 285113784 /nfs/dbraw/zinc/11/37/84/285113784.db2.gz BNZWBESYVZFNBT-YVMONPNESA-N 0 0 312.325 3.047 10 5 DGBERN C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000172091859 533087234 /nfs/dbraw/zinc/08/72/34/533087234.db2.gz UYGLUOPVTVELLQ-LLVKDONJSA-N 0 0 308.403 3.382 10 5 DGBERN C/C(=C\c1nc(C2CCOCC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000342169044 253938930 /nfs/dbraw/zinc/93/89/30/253938930.db2.gz FNPSDKCAXQLLOD-ZHACJKMWSA-N 0 0 315.329 3.432 10 5 DGBERN O=[N+]([O-])c1cnc(N2CC3(CCOCC3)c3ccccc32)s1 ZINC000192548727 285171737 /nfs/dbraw/zinc/17/17/37/285171737.db2.gz DCXWFNKKMOFNLJ-UHFFFAOYSA-N 0 0 317.370 3.251 10 5 DGBERN CO[C@H](C)c1nc(CN(C)c2cc(C)c([N+](=O)[O-])cn2)cs1 ZINC000301564303 533123573 /nfs/dbraw/zinc/12/35/73/533123573.db2.gz POKTYCMIDGMDQE-SNVBAGLBSA-N 0 0 322.390 3.099 10 5 DGBERN C[C@H]1CCCC[C@@H]1N(C)C(=O)CSc1ncccc1[N+](=O)[O-] ZINC000120441055 195167780 /nfs/dbraw/zinc/16/77/80/195167780.db2.gz PHQZVTDWRVJXCV-RYUDHWBXSA-N 0 0 323.418 3.119 10 5 DGBERN Cc1cc(N2CCCC[C@H]2c2nccs2)ncc1[N+](=O)[O-] ZINC000266848114 291933206 /nfs/dbraw/zinc/93/32/06/291933206.db2.gz PWVUXXPQBFYZAZ-NSHDSACASA-N 0 0 304.375 3.486 10 5 DGBERN Cc1c(CC(=O)NC[C@@H]2C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000122311566 195433457 /nfs/dbraw/zinc/43/34/57/195433457.db2.gz RHQNUUDKYXJZNH-IRXDYDNUSA-N 0 0 324.380 3.366 10 5 DGBERN CSCCCCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000123096301 195542710 /nfs/dbraw/zinc/54/27/10/195542710.db2.gz UUMJAHQIAJDGKE-UHFFFAOYSA-N 0 0 323.418 3.042 10 5 DGBERN CO[C@@H](C)CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000302674214 533340790 /nfs/dbraw/zinc/34/07/90/533340790.db2.gz PCCAXLSXZGYRLV-LBPRGKRZSA-N 0 0 314.341 3.273 10 5 DGBERN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCO[C@@H](C2CC2)C1 ZINC000470217371 533383197 /nfs/dbraw/zinc/38/31/97/533383197.db2.gz YYTKPLGRRAIEAP-HOFZKYPUSA-N 0 0 302.374 3.109 10 5 DGBERN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)Cc1cc(C)on1 ZINC000470170530 533406559 /nfs/dbraw/zinc/40/65/59/533406559.db2.gz WJPSPQORUPICAY-KPKJPENVSA-N 0 0 301.346 3.427 10 5 DGBERN COc1cccc(C(=O)N[C@H](C)c2cccs2)c1[N+](=O)[O-] ZINC000193859475 533417344 /nfs/dbraw/zinc/41/73/44/533417344.db2.gz JTJGAURJZGSACF-SECBINFHSA-N 0 0 306.343 3.156 10 5 DGBERN C[C@@H]1CCN(c2c([N+](=O)[O-])ncn2C)[C@H]1c1cccc(F)c1 ZINC000267018423 296564267 /nfs/dbraw/zinc/56/42/67/296564267.db2.gz JHXZDABQSKZZPJ-ZWNOBZJWSA-N 0 0 304.325 3.055 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2)o1 ZINC000067536193 400179364 /nfs/dbraw/zinc/17/93/64/400179364.db2.gz HKDUFDPZVZNNTL-NSHDSACASA-N 0 0 303.318 3.057 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000067025463 400137877 /nfs/dbraw/zinc/13/78/77/400137877.db2.gz LYAFBKICFYKRMA-NSHDSACASA-N 0 0 314.345 3.323 10 5 DGBERN Cc1sc(C(=O)NCC(C)(C)c2ccncc2)cc1[N+](=O)[O-] ZINC000091856292 400138828 /nfs/dbraw/zinc/13/88/28/400138828.db2.gz JERZZKCGYHZHJY-UHFFFAOYSA-N 0 0 319.386 3.067 10 5 DGBERN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H](c2ccco2)C1 ZINC000610365949 400250345 /nfs/dbraw/zinc/25/03/45/400250345.db2.gz GBGNHKZRMVEQNR-YPMHNXCESA-N 0 0 317.345 3.140 10 5 DGBERN CCOc1cc(N2CCCC[C@H]2c2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000092666850 400191519 /nfs/dbraw/zinc/19/15/19/400191519.db2.gz HJNDVMSIIXTECC-AWEZNQCLSA-N 0 0 316.361 3.448 10 5 DGBERN O=[N+]([O-])c1sccc1NCC[C@@H]1COc2ccccc2O1 ZINC000610808811 400309504 /nfs/dbraw/zinc/30/95/04/400309504.db2.gz IKDJENYOXJBQDW-SNVBAGLBSA-N 0 0 306.343 3.298 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1CC12CCCC2 ZINC000610471650 400261132 /nfs/dbraw/zinc/26/11/32/400261132.db2.gz QNXJEQCFGDQPQW-BXUZGUMPSA-N 0 0 300.358 3.453 10 5 DGBERN CCOP(=O)(CC(=O)c1ccc([N+](=O)[O-])cc1)OCC ZINC000036451601 400390071 /nfs/dbraw/zinc/39/00/71/400390071.db2.gz PTJVVMDGEBYXEF-UHFFFAOYSA-N 0 0 301.235 3.044 10 5 DGBERN C[C@H](CO)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1 ZINC000611225887 400361572 /nfs/dbraw/zinc/36/15/72/400361572.db2.gz ZWRUEUXDNRLYFU-CYBMUJFWSA-N 0 0 301.342 3.193 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCc3ccc(F)cc3C2)n1 ZINC000611617364 400429156 /nfs/dbraw/zinc/42/91/56/400429156.db2.gz JJKLGIYKHFUBIT-UHFFFAOYSA-N 0 0 301.321 3.308 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(Sc2nnc(C3CC3)s2)n1 ZINC000611616725 400429327 /nfs/dbraw/zinc/42/93/27/400429327.db2.gz HYIJTOVTERBRMR-UHFFFAOYSA-N 0 0 308.388 3.487 10 5 DGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)c1nccs1 ZINC000131529161 400550761 /nfs/dbraw/zinc/55/07/61/400550761.db2.gz MDZNLDPMCNSBOK-LBPRGKRZSA-N 0 0 305.359 3.241 10 5 DGBERN O=[N+]([O-])c1cnc2c(c1)CN([C@H]1CCc3ccc(F)cc31)CC2 ZINC000612469089 400550824 /nfs/dbraw/zinc/55/08/24/400550824.db2.gz KGBFOJBUSVTSLS-KRWDZBQOSA-N 0 0 313.332 3.175 10 5 DGBERN COc1ccc(-c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC ZINC000138961711 400602466 /nfs/dbraw/zinc/60/24/66/400602466.db2.gz ZWTTZIRRKBDKLK-UHFFFAOYSA-N 0 0 319.313 3.296 10 5 DGBERN Cn1c(=O)ccc2ccc(Nc3sccc3[N+](=O)[O-])cc21 ZINC000618685822 400664565 /nfs/dbraw/zinc/66/45/65/400664565.db2.gz NSWMVPYZHBSMAY-UHFFFAOYSA-N 0 0 301.327 3.252 10 5 DGBERN COCC[C@@H]1CCCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000613433916 400719175 /nfs/dbraw/zinc/71/91/75/400719175.db2.gz WDQQWJQFPJDUOB-NSHDSACASA-N 0 0 313.785 3.286 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@](C)(O)CCC(C)C ZINC000077658646 400736659 /nfs/dbraw/zinc/73/66/59/400736659.db2.gz KFGGLZXFHCLYKZ-INIZCTEOSA-N 0 0 323.393 3.212 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC1CC1)C1CCCCC1 ZINC000170804737 400775683 /nfs/dbraw/zinc/77/56/83/400775683.db2.gz QSJUGFLKTXBJPJ-UHFFFAOYSA-N 0 0 317.389 3.483 10 5 DGBERN CCCC[C@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000171176012 400787952 /nfs/dbraw/zinc/78/79/52/400787952.db2.gz PPZNORYMFDNANJ-SWLSCSKDSA-N 0 0 305.378 3.387 10 5 DGBERN CCO[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000078360418 400792527 /nfs/dbraw/zinc/79/25/27/400792527.db2.gz WFJIZQJFGTWKNT-RYUDHWBXSA-N 0 0 311.769 3.403 10 5 DGBERN Cc1ccc2cccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)c2n1 ZINC000171284889 400794356 /nfs/dbraw/zinc/79/43/56/400794356.db2.gz WMDQZERYBHFPQH-UHFFFAOYSA-N 0 0 322.324 3.407 10 5 DGBERN CC[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000172365174 400822863 /nfs/dbraw/zinc/82/28/63/400822863.db2.gz SWHQOZBCFFBDRO-LBPRGKRZSA-N 0 0 320.374 3.002 10 5 DGBERN Cc1nn(C)c(C)c1C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C ZINC000080650424 400974544 /nfs/dbraw/zinc/97/45/44/400974544.db2.gz QKLCPOUITXDVSV-NSHDSACASA-N 0 0 302.378 3.297 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(NCCc2ncc(C)s2)c1 ZINC000080649645 400974647 /nfs/dbraw/zinc/97/46/47/400974647.db2.gz IYGIMZZBAHOUAA-UHFFFAOYSA-N 0 0 311.338 3.162 10 5 DGBERN O=C(c1scnc1C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000089745598 401237343 /nfs/dbraw/zinc/23/73/43/401237343.db2.gz NNDPJOZAYCNRCQ-UHFFFAOYSA-N 0 0 315.354 3.132 10 5 DGBERN Cc1noc(C)c1CCOc1ccc([N+](=O)[O-])c2ncccc12 ZINC000358582787 286099308 /nfs/dbraw/zinc/09/93/08/286099308.db2.gz CVOYTWHFPPKPDE-UHFFFAOYSA-N 0 0 313.313 3.369 10 5 DGBERN CCO[C@@H]1C[C@@H](N(C)c2ncccc2[N+](=O)[O-])C12CCCC2 ZINC000156880806 286248712 /nfs/dbraw/zinc/24/87/12/286248712.db2.gz GKGYKVJBTSTILG-ZIAGYGMSSA-N 0 0 305.378 3.164 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ncc(C(C)C)s1 ZINC000172678585 164664433 /nfs/dbraw/zinc/66/44/33/164664433.db2.gz DMYYGXCQARELAB-UHFFFAOYSA-N 0 0 306.347 3.130 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1[C@H](C)SCc1nnnn1C(C)C ZINC000180711349 164893162 /nfs/dbraw/zinc/89/31/62/164893162.db2.gz QVVJKGDASONVKL-NSHDSACASA-N 0 0 321.406 3.465 10 5 DGBERN CCc1cnc(CCNc2cccc(OC)c2[N+](=O)[O-])s1 ZINC000185493568 165005981 /nfs/dbraw/zinc/00/59/81/165005981.db2.gz ITUSCINSZWLXKX-UHFFFAOYSA-N 0 0 307.375 3.277 10 5 DGBERN Cc1cc([N+](=O)[O-])cnc1NCc1ncc(-c2ccccc2)cn1 ZINC000186001778 165024455 /nfs/dbraw/zinc/02/44/55/165024455.db2.gz TYEOMRCYMMQGNW-UHFFFAOYSA-N 0 0 321.340 3.367 10 5 DGBERN Cc1nc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000187095040 165076377 /nfs/dbraw/zinc/07/63/77/165076377.db2.gz VUNSLUYWZLCKLB-CQSZACIVSA-N 0 0 317.370 3.337 10 5 DGBERN Cc1nc(CC(C)C)oc1C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000188967049 165142781 /nfs/dbraw/zinc/14/27/81/165142781.db2.gz PWWVUTMLBLXWJE-UHFFFAOYSA-N 0 0 318.333 3.045 10 5 DGBERN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)ccc1F ZINC000189417714 165160977 /nfs/dbraw/zinc/16/09/77/165160977.db2.gz HNUMCPBWOIUPTI-UHFFFAOYSA-N 0 0 304.277 3.303 10 5 DGBERN CC1(C)CN(C(=O)c2csc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000189380094 165161176 /nfs/dbraw/zinc/16/11/76/165161176.db2.gz OOSLXKGIWJIXIL-UHFFFAOYSA-N 0 0 324.402 3.220 10 5 DGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CCC(C)(C)O1 ZINC000191349657 165244873 /nfs/dbraw/zinc/24/48/73/165244873.db2.gz GBJHRWYICFVEEQ-GFCCVEGCSA-N 0 0 321.377 3.291 10 5 DGBERN Cc1c(NC(=O)N[C@@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000194718134 165354308 /nfs/dbraw/zinc/35/43/08/165354308.db2.gz DNMHLIDHZHFFBS-CYBMUJFWSA-N 0 0 313.313 3.158 10 5 DGBERN CC[C@@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])c1nccs1 ZINC000194739951 165354510 /nfs/dbraw/zinc/35/45/10/165354510.db2.gz BDOXYTUGRPJJJC-SNVBAGLBSA-N 0 0 305.359 3.241 10 5 DGBERN CO[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC[C@H]1C ZINC000190406457 432153772 /nfs/dbraw/zinc/15/37/72/432153772.db2.gz XCCUKIIDMDWIHR-BMIGLBTASA-N 0 0 321.377 3.100 10 5 DGBERN C[C@@H]1CCCCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000408166107 287250535 /nfs/dbraw/zinc/25/05/35/287250535.db2.gz WYZVBKLGAIOJHR-LLVKDONJSA-N 0 0 301.346 3.481 10 5 DGBERN CC(C)[C@@H](C)CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000172448063 432214605 /nfs/dbraw/zinc/21/46/05/432214605.db2.gz IRLGPZGJOAOFGJ-RYUDHWBXSA-N 0 0 310.419 3.484 10 5 DGBERN C[C@@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C ZINC000131398070 196164934 /nfs/dbraw/zinc/16/49/34/196164934.db2.gz NIIXNOXELRLSOQ-GHMZBOCLSA-N 0 0 301.346 3.194 10 5 DGBERN CC[C@@H](NC(=O)N1CC[C@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000131559556 196179946 /nfs/dbraw/zinc/17/99/46/196179946.db2.gz RILNAUFLXBSRRI-SWLSCSKDSA-N 0 0 305.378 3.487 10 5 DGBERN Cc1ccn(-c2ccccc2CNc2ncccc2[N+](=O)[O-])n1 ZINC000132147203 196230118 /nfs/dbraw/zinc/23/01/18/196230118.db2.gz SYHSKUHOCSNIFG-UHFFFAOYSA-N 0 0 309.329 3.096 10 5 DGBERN CC[C@@H](C)C(=O)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000133136755 196315438 /nfs/dbraw/zinc/31/54/38/196315438.db2.gz BQNFNFUHSPEVPD-MRVPVSSYSA-N 0 0 316.151 3.351 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C1CCC(C)(C)CC1 ZINC000152723917 227076331 /nfs/dbraw/zinc/07/63/31/227076331.db2.gz WJRZFHDYVRONFL-UHFFFAOYSA-N 0 0 305.378 3.339 10 5 DGBERN O=[N+]([O-])c1cccc(Cl)c1OCc1nc(-c2ccoc2)no1 ZINC000130714870 292639703 /nfs/dbraw/zinc/63/97/03/292639703.db2.gz BLQBYKBEUXGQJN-UHFFFAOYSA-N 0 0 321.676 3.470 10 5 DGBERN Cn1cc(-c2cccc(CNc3ncccc3[N+](=O)[O-])c2)cn1 ZINC000301879175 229956650 /nfs/dbraw/zinc/95/66/50/229956650.db2.gz LJKDWRYBFZXVNW-UHFFFAOYSA-N 0 0 309.329 3.002 10 5 DGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000302019619 230039015 /nfs/dbraw/zinc/03/90/15/230039015.db2.gz DOGIEKNZMYHYCY-RHSMWYFYSA-N 0 0 314.341 3.029 10 5 DGBERN Cc1nc2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)ccc2o1 ZINC000172988717 432250193 /nfs/dbraw/zinc/25/01/93/432250193.db2.gz LCZYEYYNYLOIRZ-UHFFFAOYSA-N 0 0 311.297 3.226 10 5 DGBERN C[C@@H]1CCC[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@@H]1C ZINC000481093000 429722266 /nfs/dbraw/zinc/72/22/66/429722266.db2.gz SMHGYHIWEDTZBL-UTUOFQBUSA-N 0 0 303.366 3.122 10 5 DGBERN CCc1ccc([C@H](C)NC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000124551049 276672017 /nfs/dbraw/zinc/67/20/17/276672017.db2.gz NYSDOEOEXDGLPO-NSHDSACASA-N 0 0 314.345 3.435 10 5 DGBERN CO[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[C@@H]1C ZINC000302551051 277344248 /nfs/dbraw/zinc/34/42/48/277344248.db2.gz JXRMTMXVGBCBGH-NHYWBVRUSA-N 0 0 301.346 3.004 10 5 DGBERN CC[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)C1CCCCC1 ZINC000611240364 430567906 /nfs/dbraw/zinc/56/79/06/430567906.db2.gz AWWQGOFRKQBCEQ-GFCCVEGCSA-N 0 0 303.366 3.408 10 5 DGBERN C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CCC1=O ZINC000302493527 278798337 /nfs/dbraw/zinc/79/83/37/278798337.db2.gz ZVRVNKIDPRPKOW-SSDOTTSWSA-N 0 0 303.145 3.317 10 5 DGBERN Cn1cc([C@@H]2CCCN2c2ccc([N+](=O)[O-])c3cccnc32)cn1 ZINC000108945925 431162953 /nfs/dbraw/zinc/16/29/53/431162953.db2.gz DCOGKYLBJRVRIC-AWEZNQCLSA-N 0 0 323.356 3.218 10 5 DGBERN C[C@@H]1CC[C@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000075288780 431464640 /nfs/dbraw/zinc/46/46/40/431464640.db2.gz KLZLYMKXAAVLPB-WDEREUQCSA-N 0 0 310.781 3.438 10 5 DGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCCSCC1 ZINC000042445330 280355730 /nfs/dbraw/zinc/35/57/30/280355730.db2.gz DQBAOCUFDGNLDK-UHFFFAOYSA-N 0 0 317.208 3.301 10 5 DGBERN C[C@@H](C1CC1)n1nccc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000077561361 431608526 /nfs/dbraw/zinc/60/85/26/431608526.db2.gz DGQFWAVFLZAJOO-VIFPVBQESA-N 0 0 318.308 3.154 10 5 DGBERN COc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])s2)cc1F ZINC000078441712 431669796 /nfs/dbraw/zinc/66/97/96/431669796.db2.gz WYLJVAFUKHXYIH-MRVPVSSYSA-N 0 0 324.333 3.295 10 5 DGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc2ncccc21 ZINC000031930837 431768916 /nfs/dbraw/zinc/76/89/16/431768916.db2.gz VYFNFLHYCSCHAP-UHFFFAOYSA-N 0 0 321.336 3.415 10 5 DGBERN Cc1c(NC(=O)NCCc2ccsc2)cccc1[N+](=O)[O-] ZINC000043346931 431868416 /nfs/dbraw/zinc/86/84/16/431868416.db2.gz HNBOBORUMUOKQF-UHFFFAOYSA-N 0 0 305.359 3.329 10 5 DGBERN CCN(Cc1ccccn1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000084204600 431819626 /nfs/dbraw/zinc/81/96/26/431819626.db2.gz XHNYDSUNYPJEJZ-UHFFFAOYSA-N 0 0 305.359 3.022 10 5 DGBERN CCC1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000084381727 431823831 /nfs/dbraw/zinc/82/38/31/431823831.db2.gz NWNPHORHNZIURG-UHFFFAOYSA-N 0 0 301.346 3.386 10 5 DGBERN Cc1noc(C)c1CC(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084808406 431833045 /nfs/dbraw/zinc/83/30/45/431833045.db2.gz IUCLAFRCXOOXFR-NSHDSACASA-N 0 0 318.329 3.355 10 5 DGBERN Cc1nn(C)c(C)c1C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084809851 431833108 /nfs/dbraw/zinc/83/31/08/431833108.db2.gz GCWDXBULFFZLEG-GFCCVEGCSA-N 0 0 317.345 3.172 10 5 DGBERN Cc1cccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000047345294 431908914 /nfs/dbraw/zinc/90/89/14/431908914.db2.gz NSJRUPWATFLAGX-UHFFFAOYSA-N 0 0 320.736 3.273 10 5 DGBERN COC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000045144657 431882833 /nfs/dbraw/zinc/88/28/33/431882833.db2.gz CDWBHRQDVSEURI-UHFFFAOYSA-N 0 0 320.326 3.004 10 5 DGBERN CC[C@H](NC(=O)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090466498 431891827 /nfs/dbraw/zinc/89/18/27/431891827.db2.gz UYELNLMGSVYHTM-INIZCTEOSA-N 0 0 314.341 3.485 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCc2occc21 ZINC000124398702 431892744 /nfs/dbraw/zinc/89/27/44/431892744.db2.gz UNYUJWYIGUOBMW-CQSZACIVSA-N 0 0 300.314 3.304 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000124564550 431898278 /nfs/dbraw/zinc/89/82/78/431898278.db2.gz ZVRGPIISRCWSKQ-MRXNPFEDSA-N 0 0 311.341 3.276 10 5 DGBERN CC[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccncc1 ZINC000124791048 431905014 /nfs/dbraw/zinc/90/50/14/431905014.db2.gz DWIYMJNWFQXKSN-OAHLLOKOSA-N 0 0 324.340 3.352 10 5 DGBERN CCCC(=O)N[C@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000101564392 431986287 /nfs/dbraw/zinc/98/62/87/431986287.db2.gz PWJVHMJNFXCKKB-ZFWWWQNUSA-N 0 0 319.405 3.037 10 5 DGBERN CCc1ccc(C(=O)N[C@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000173354826 432274142 /nfs/dbraw/zinc/27/41/42/432274142.db2.gz AAPYBPIOWUFXIK-AWEZNQCLSA-N 0 0 312.325 3.021 10 5 DGBERN CCc1ccc(C(=O)N[C@H](CC)c2nccs2)cc1[N+](=O)[O-] ZINC000173451708 432279748 /nfs/dbraw/zinc/27/97/48/432279748.db2.gz SDEMGJOLQKYKDS-GFCCVEGCSA-N 0 0 319.386 3.495 10 5 DGBERN CCSc1cccc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])c1 ZINC000191616460 432284950 /nfs/dbraw/zinc/28/49/50/432284950.db2.gz ZOFVLURTVNRDTG-UHFFFAOYSA-N 0 0 320.374 3.176 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC2CCC(C(C)C)CC2)n1 ZINC000191679234 432289965 /nfs/dbraw/zinc/28/99/65/432289965.db2.gz OXDUJKDVKZESIS-UHFFFAOYSA-N 0 0 322.409 3.003 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2cc[nH]c2c1 ZINC000060831141 432000738 /nfs/dbraw/zinc/00/07/38/432000738.db2.gz AVARJHDJAVFTGJ-UHFFFAOYSA-N 0 0 311.297 3.337 10 5 DGBERN Cc1ccc(C[N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000183696026 432317511 /nfs/dbraw/zinc/31/75/11/432317511.db2.gz ULQWLECKBNYBIL-UHFFFAOYSA-N 0 0 314.385 3.206 10 5 DGBERN CC[C@H]([NH2+]C[C@H]1CC2(CCC2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000192161637 432338012 /nfs/dbraw/zinc/33/80/12/432338012.db2.gz YKEYCPABGCNNNC-CABCVRRESA-N 0 0 318.373 3.121 10 5 DGBERN COc1cc(CSCc2cc(C)on2)c([N+](=O)[O-])cc1F ZINC000184037156 432347703 /nfs/dbraw/zinc/34/77/03/432347703.db2.gz CIQCEHLDXLMMQP-UHFFFAOYSA-N 0 0 312.322 3.472 10 5 DGBERN C[C@@H]1CC[C@H](C)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000174475336 432350313 /nfs/dbraw/zinc/35/03/13/432350313.db2.gz YQWSRZAAPDRBCY-NWDGAFQWSA-N 0 0 306.362 3.082 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1CNc1cccc2c1OCC[C@@H]2O ZINC000184064301 432352006 /nfs/dbraw/zinc/35/20/06/432352006.db2.gz VZVRXEJALFOTHD-INIZCTEOSA-N 0 0 314.341 3.331 10 5 DGBERN COc1cccc(F)c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000174489303 432352551 /nfs/dbraw/zinc/35/25/51/432352551.db2.gz NUNBYLOJJJMMTM-MRVPVSSYSA-N 0 0 324.333 3.295 10 5 DGBERN CC(C)(C)C1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183582034 432305117 /nfs/dbraw/zinc/30/51/17/432305117.db2.gz RTOUDQYSULAGMA-UHFFFAOYSA-N 0 0 306.366 3.280 10 5 DGBERN Cc1cc(N2CCC(Cc3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC000173916076 432307849 /nfs/dbraw/zinc/30/78/49/432307849.db2.gz ILYOPFGXCZXSDN-UHFFFAOYSA-N 0 0 312.373 3.152 10 5 DGBERN Cc1noc(C)c1[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000152792039 432356603 /nfs/dbraw/zinc/35/66/03/432356603.db2.gz PQQZDAKSMQPCHR-SNVBAGLBSA-N 0 0 317.345 3.042 10 5 DGBERN CC(C)[C@H]1C[C@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000185169720 432472719 /nfs/dbraw/zinc/47/27/19/432472719.db2.gz LPQJCORVCHGCEK-CHWSQXEVSA-N 0 0 310.781 3.499 10 5 DGBERN CC[C@@H](NC(=O)NCc1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC000175992951 432485772 /nfs/dbraw/zinc/48/57/72/432485772.db2.gz MPYFANMZHIEFFM-CQSZACIVSA-N 0 0 303.318 3.138 10 5 DGBERN COc1cccc(C(=O)N(C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000193840937 432502590 /nfs/dbraw/zinc/50/25/90/432502590.db2.gz KWMUZEINDXDUCK-UHFFFAOYSA-N 0 0 318.304 3.015 10 5 DGBERN C[C@H](N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1(C)CC1 ZINC000176248643 432504403 /nfs/dbraw/zinc/50/44/03/432504403.db2.gz AFVODYJIVYUHKE-JTQLQIEISA-N 0 0 301.346 3.337 10 5 DGBERN CC[C@@H](NC(=O)N[C@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000176266766 432505248 /nfs/dbraw/zinc/50/52/48/432505248.db2.gz OTSJJOREMAUOFD-DZGCQCFKSA-N 0 0 303.362 3.454 10 5 DGBERN COc1cccc(N2CCO[C@@H](c3cccs3)C2)c1[N+](=O)[O-] ZINC000185566281 432511815 /nfs/dbraw/zinc/51/18/15/432511815.db2.gz OQCKKUFLECHUTN-CYBMUJFWSA-N 0 0 320.370 3.243 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCc2cc(F)ccc21 ZINC000193299184 432462918 /nfs/dbraw/zinc/46/29/18/432462918.db2.gz CXFDQAPFVVGRIV-UHFFFAOYSA-N 0 0 315.304 3.030 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000154048342 432468402 /nfs/dbraw/zinc/46/84/02/432468402.db2.gz FOXZNVNMLGLDPL-UHFFFAOYSA-N 0 0 322.324 3.341 10 5 DGBERN C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000194489794 432554596 /nfs/dbraw/zinc/55/45/96/432554596.db2.gz NUATYEYDTXBDFA-JTQLQIEISA-N 0 0 305.359 3.217 10 5 DGBERN CC[C@H](NC(=O)N1CCS[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176702307 432544259 /nfs/dbraw/zinc/54/42/59/432544259.db2.gz IKBZSCPRPSHDHP-RISCZKNCSA-N 0 0 323.418 3.193 10 5 DGBERN CC[C@@H](NC(=O)N1CCSC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000176704143 432544299 /nfs/dbraw/zinc/54/42/99/432544299.db2.gz PLKLNOFHKABVLT-BXUZGUMPSA-N 0 0 323.418 3.193 10 5 DGBERN Cc1cnc(OCc2nc(C)c3ccccc3n2)c([N+](=O)[O-])c1 ZINC000176702302 432544356 /nfs/dbraw/zinc/54/43/56/432544356.db2.gz ASYBNWUVDRVPSD-UHFFFAOYSA-N 0 0 310.313 3.129 10 5 DGBERN CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccccc1 ZINC000195153742 432609090 /nfs/dbraw/zinc/60/90/90/432609090.db2.gz RNFWCXZDXNZSBO-ZDUSSCGKSA-N 0 0 313.357 3.222 10 5 DGBERN CC[C@@H](NC(=O)c1ccn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000195299231 432616815 /nfs/dbraw/zinc/61/68/15/432616815.db2.gz AYLZVJXWVLIQSD-OAHLLOKOSA-N 0 0 301.346 3.123 10 5 DGBERN O=C(NCc1cccc(-c2ccccn2)c1)c1ccc([N+](=O)[O-])o1 ZINC000155744341 432571197 /nfs/dbraw/zinc/57/11/97/432571197.db2.gz SQJCZSLLTLTMAG-UHFFFAOYSA-N 0 0 323.308 3.180 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])cc1NCc1nnc(C(C)C)n1C ZINC000194984427 432592802 /nfs/dbraw/zinc/59/28/02/432592802.db2.gz ZJGSKOOUDKOCJL-UHFFFAOYSA-N 0 0 303.366 3.076 10 5 DGBERN C[C@H]1CCCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000186462986 432597361 /nfs/dbraw/zinc/59/73/61/432597361.db2.gz SUHGBRPDYWRTKS-NSHDSACASA-N 0 0 301.346 3.338 10 5 DGBERN CCC[C@@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000156578628 432600654 /nfs/dbraw/zinc/60/06/54/432600654.db2.gz UMBQWDJMMJVURS-CQSZACIVSA-N 0 0 308.378 3.195 10 5 DGBERN CCC[C@@H](NCc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000156583087 432600929 /nfs/dbraw/zinc/60/09/29/432600929.db2.gz ULCGXUHKCHPXJM-LLVKDONJSA-N 0 0 314.407 3.256 10 5 DGBERN CSc1ccc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000177237712 432602492 /nfs/dbraw/zinc/60/24/92/432602492.db2.gz AUCQZAHWJQMDPO-UHFFFAOYSA-N 0 0 320.345 3.386 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000195524093 432626171 /nfs/dbraw/zinc/62/61/71/432626171.db2.gz XZRKOCVIOSYZPH-LBPRGKRZSA-N 0 0 313.357 3.049 10 5 DGBERN CC(=O)c1c(C)cccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000157821331 432631144 /nfs/dbraw/zinc/63/11/44/432631144.db2.gz DTUILVFUSUMCMO-UHFFFAOYSA-N 0 0 312.325 3.287 10 5 DGBERN CC[C@@H](NC(=O)Cc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000177793511 432662172 /nfs/dbraw/zinc/66/21/72/432662172.db2.gz SDUFLOPFQQVFPN-CQSZACIVSA-N 0 0 304.371 3.466 10 5 DGBERN CCCCO[C@@H](C)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000177804519 432663516 /nfs/dbraw/zinc/66/35/16/432663516.db2.gz KSYCDHCWKMEFJC-WFASDCNBSA-N 0 0 308.378 3.367 10 5 DGBERN CC[C@H](NC(=O)CCc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000177799237 432663872 /nfs/dbraw/zinc/66/38/72/432663872.db2.gz DHIGIBIAWXPEOA-INIZCTEOSA-N 0 0 313.357 3.190 10 5 DGBERN Cc1nn(C)cc1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000226226916 432704097 /nfs/dbraw/zinc/70/40/97/432704097.db2.gz WYKWICXVEGJMTF-UHFFFAOYSA-N 0 0 311.139 3.143 10 5 DGBERN Cc1cccc(N2CC[C@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000188386677 432721705 /nfs/dbraw/zinc/72/17/05/432721705.db2.gz OEAMYJBCMNSMRI-LBPRGKRZSA-N 0 0 306.362 3.071 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCO[C@H]1C(C)C ZINC000177967892 432680177 /nfs/dbraw/zinc/68/01/77/432680177.db2.gz WDPJQMQDHKACOR-CJNGLKHVSA-N 0 0 320.389 3.084 10 5 DGBERN CCS[C@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000178036021 432686671 /nfs/dbraw/zinc/68/66/71/432686671.db2.gz LHMWMMPCPYCTFR-KGLIPLIRSA-N 0 0 308.403 3.307 10 5 DGBERN Cc1cc([N+](=O)[O-])cn(C/C=C/c2ccc(Cl)cc2)c1=O ZINC000189099085 432763987 /nfs/dbraw/zinc/76/39/87/432763987.db2.gz TWBGYMCSTQKSMX-NSCUHMNNSA-N 0 0 304.733 3.432 10 5 DGBERN CO[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[C@@H]1C ZINC000276073447 432771560 /nfs/dbraw/zinc/77/15/60/432771560.db2.gz STUCFIATCNDJCV-XHDPSFHLSA-N 0 0 301.346 3.004 10 5 DGBERN CO[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[C@@H]1C ZINC000276086736 432772138 /nfs/dbraw/zinc/77/21/38/432772138.db2.gz UYHGHBNURBYEDT-MEDUHNTESA-N 0 0 301.346 3.004 10 5 DGBERN Cc1nc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000178878708 432784685 /nfs/dbraw/zinc/78/46/85/432784685.db2.gz UWRXJDZPINIZGR-UHFFFAOYSA-N 0 0 319.386 3.333 10 5 DGBERN CCOCCCC(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000161877591 432801036 /nfs/dbraw/zinc/80/10/36/432801036.db2.gz KNXGOHODLPYJBR-UHFFFAOYSA-N 0 0 317.345 3.207 10 5 DGBERN Cc1cc([N+](=O)[O-])cnc1N(C)Cc1nc2c(s1)CCCC2 ZINC000267001883 432805207 /nfs/dbraw/zinc/80/52/07/432805207.db2.gz DFWVKTYBHNSSRM-UHFFFAOYSA-N 0 0 318.402 3.270 10 5 DGBERN CCc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000162100964 432811229 /nfs/dbraw/zinc/81/12/29/432811229.db2.gz MSZAQKGRRIAFRG-UHFFFAOYSA-N 0 0 302.305 3.478 10 5 DGBERN CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000189725253 432814083 /nfs/dbraw/zinc/81/40/83/432814083.db2.gz GCCJPENUQYGLSK-CQSZACIVSA-N 0 0 308.378 3.041 10 5 DGBERN CC(C)c1ccc(CNc2ncn(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000361447766 433176420 /nfs/dbraw/zinc/17/64/20/433176420.db2.gz QIVXUHLOAPNHLJ-UHFFFAOYSA-N 0 0 317.393 3.677 10 5 DGBERN Cn1c(=O)ccc2ccc(NCCc3ccc([N+](=O)[O-])cc3)cc21 ZINC000447410760 433202851 /nfs/dbraw/zinc/20/28/51/433202851.db2.gz WGLULNBQJOSEDU-UHFFFAOYSA-N 0 0 323.352 3.101 10 5 DGBERN C[C@@H]1C[C@H]1CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454274640 433355486 /nfs/dbraw/zinc/35/54/86/433355486.db2.gz RCQJVASRYHQGMQ-YUELXQCFSA-N 0 0 317.389 3.140 10 5 DGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCOC2(CCCC2)C1 ZINC000291791842 433356408 /nfs/dbraw/zinc/35/64/08/433356408.db2.gz DHNVTWPIYNHIMC-UHFFFAOYSA-N 0 0 313.357 3.292 10 5 DGBERN C[C@H]1CSCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000291877065 433379996 /nfs/dbraw/zinc/37/99/96/433379996.db2.gz ITVZOVSIVROEJV-LLVKDONJSA-N 0 0 303.387 3.332 10 5 DGBERN Cc1cccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2C(N)=O)c1C ZINC000301272998 433481265 /nfs/dbraw/zinc/48/12/65/433481265.db2.gz ICZJUKDHIFIWCX-LBPRGKRZSA-N 0 0 313.357 3.484 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@H](OC)C(C)(C)C)c1 ZINC000301484474 433576820 /nfs/dbraw/zinc/57/68/20/433576820.db2.gz VKHODLWWKYVESF-LBPRGKRZSA-N 0 0 300.330 3.216 10 5 DGBERN C[C@H](Cc1cccs1)N(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000301492235 433578391 /nfs/dbraw/zinc/57/83/91/433578391.db2.gz OZXSILLKEGPVDO-SECBINFHSA-N 0 0 322.415 3.433 10 5 DGBERN CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CCS1 ZINC000301695136 433682979 /nfs/dbraw/zinc/68/29/79/433682979.db2.gz PFYYIHSWNPNEKL-LBPRGKRZSA-N 0 0 324.402 3.022 10 5 DGBERN Cc1csc([C@H]2COCCN2c2ccc([N+](=O)[O-])cc2F)n1 ZINC000189134575 293066141 /nfs/dbraw/zinc/06/61/41/293066141.db2.gz VLDZXKFDDTXUQH-CYBMUJFWSA-N 0 0 323.349 3.077 10 5 DGBERN Cc1ccc(NCCN2C(=S)N=NC2C(C)C)c([N+](=O)[O-])c1 ZINC000301830565 433742883 /nfs/dbraw/zinc/74/28/83/433742883.db2.gz RXPRQNXUNCZLHF-UHFFFAOYSA-N 0 0 321.406 3.019 10 5 DGBERN O=[N+]([O-])c1ccc(NCCC2=CCOCC2)cc1OC(F)F ZINC000301835781 433748920 /nfs/dbraw/zinc/74/89/20/433748920.db2.gz WTZBNGKAMMZZTJ-UHFFFAOYSA-N 0 0 314.288 3.345 10 5 DGBERN Cc1ccnc(C2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)n1 ZINC000374933521 293463433 /nfs/dbraw/zinc/46/34/33/293463433.db2.gz XRZURNPSLOUILI-UHFFFAOYSA-N 0 0 316.336 3.216 10 5 DGBERN CC(C)(C)Oc1cc(N[C@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000301896548 433782066 /nfs/dbraw/zinc/78/20/66/433782066.db2.gz UUYMYFHCAHJQNI-GXTWGEPZSA-N 0 0 308.378 3.488 10 5 DGBERN CCC1(CC)[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])C[C@@H]1OC ZINC000301983187 433808955 /nfs/dbraw/zinc/80/89/55/433808955.db2.gz ASDODXTZPNMLRH-GJZGRUSLSA-N 0 0 308.378 3.093 10 5 DGBERN CC(=O)Nc1cccc(CNc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000302794546 433866863 /nfs/dbraw/zinc/86/68/63/433866863.db2.gz INKSQLRWINJGLT-UHFFFAOYSA-N 0 0 303.293 3.304 10 5 DGBERN COc1c(C(=O)N[C@H]2CCC23CCCC3)cccc1[N+](=O)[O-] ZINC000357140838 433879647 /nfs/dbraw/zinc/87/96/47/433879647.db2.gz HGOBJPYPYLPVEY-ZDUSSCGKSA-N 0 0 304.346 3.056 10 5 DGBERN CSc1cccc(C(=O)NCc2cnc(C)s2)c1[N+](=O)[O-] ZINC000362855397 433885310 /nfs/dbraw/zinc/88/53/10/433885310.db2.gz ZHDIGEZATNSHLL-UHFFFAOYSA-N 0 0 323.399 3.012 10 5 DGBERN CNC(=O)c1ccc(Oc2ccc(C)c(F)c2)c([N+](=O)[O-])c1 ZINC000302856602 433885507 /nfs/dbraw/zinc/88/55/07/433885507.db2.gz LXADIEJBSGKTID-UHFFFAOYSA-N 0 0 304.277 3.194 10 5 DGBERN Cc1cccc(N2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)c1 ZINC000302861503 433886825 /nfs/dbraw/zinc/88/68/25/433886825.db2.gz QATLKZGNYMMNGV-UHFFFAOYSA-N 0 0 315.348 3.369 10 5 DGBERN Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000108951439 293726358 /nfs/dbraw/zinc/72/63/58/293726358.db2.gz CSVZLFVOKHBFTI-HNNXBMFYSA-N 0 0 300.362 3.287 10 5 DGBERN O=[N+]([O-])c1cc2ccccc2nc1NCc1ccc2cc[nH]c2n1 ZINC000357583443 434087853 /nfs/dbraw/zinc/08/78/53/434087853.db2.gz QNUHQKYWHJJNNB-UHFFFAOYSA-N 0 0 319.324 3.631 10 5 DGBERN Cn1cnc(CCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)c1 ZINC000313485104 434133206 /nfs/dbraw/zinc/13/32/06/434133206.db2.gz SYMPNNYBCWPPLH-UHFFFAOYSA-N 0 0 315.160 3.290 10 5 DGBERN Cc1nsc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000450766013 434397324 /nfs/dbraw/zinc/39/73/24/434397324.db2.gz SBUAFGIQMIDMRV-LBPRGKRZSA-N 0 0 304.375 3.139 10 5 DGBERN COC(=O)c1cc(C)nc(N(C)C2CCCCCC2)c1[N+](=O)[O-] ZINC000521443778 294873203 /nfs/dbraw/zinc/87/32/03/294873203.db2.gz CHIQLYOSRFZKLC-UHFFFAOYSA-N 0 0 321.377 3.244 10 5 DGBERN CCOc1ccc(C(=O)N[C@H]2C[C@]2(C)C(C)C)cc1[N+](=O)[O-] ZINC000458144841 434498617 /nfs/dbraw/zinc/49/86/17/434498617.db2.gz NCUPQLKIXSHWLP-GOEBONIOSA-N 0 0 306.362 3.158 10 5 DGBERN COc1cc(N2CCC[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000408299363 434561220 /nfs/dbraw/zinc/56/12/20/434561220.db2.gz CLPDDERIXBANCA-INIZCTEOSA-N 0 0 306.362 3.000 10 5 DGBERN NC(=O)c1ccc(N2CCC[C@@]3(CC=CCC3)C2)c([N+](=O)[O-])c1 ZINC000114451408 295181224 /nfs/dbraw/zinc/18/12/24/295181224.db2.gz ZGXIAHAFOOGHLZ-KRWDZBQOSA-N 0 0 315.373 3.020 10 5 DGBERN C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000408467525 434578787 /nfs/dbraw/zinc/57/87/87/434578787.db2.gz LHPWSJXSUOIJGJ-NOLJZWGESA-N 0 0 323.368 3.039 10 5 DGBERN Cn1c(=O)ccc2ccc(Nc3c(F)cccc3[N+](=O)[O-])cc21 ZINC000553231791 434883619 /nfs/dbraw/zinc/88/36/19/434883619.db2.gz DYEPFROISOSAOR-UHFFFAOYSA-N 0 0 313.288 3.329 10 5 DGBERN COC(=O)c1ccc(C(F)(F)F)c(C(F)(F)F)c1[N+](=O)[O-] ZINC000575379653 435032136 /nfs/dbraw/zinc/03/21/36/435032136.db2.gz IRXQCVZHBQXTJP-UHFFFAOYSA-N 0 0 317.141 3.419 10 5 DGBERN CCOc1cc([N+](=O)[O-])cc(OC(F)F)c1OC(F)(F)F ZINC000575658597 435039379 /nfs/dbraw/zinc/03/93/79/435039379.db2.gz UIITUUMERAHZMT-UHFFFAOYSA-N 0 0 317.166 3.494 10 5 DGBERN COc1cc(OC(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000575667048 435041907 /nfs/dbraw/zinc/04/19/07/435041907.db2.gz KEAVTDDTJFDZTQ-UHFFFAOYSA-N 0 0 303.139 3.103 10 5 DGBERN CCOC(=O)Cc1cc([N+](=O)[O-])cc(CC)c1Br ZINC000575700958 435047754 /nfs/dbraw/zinc/04/77/54/435047754.db2.gz ZGXQLIPYFAFENE-UHFFFAOYSA-N 0 0 316.151 3.025 10 5 DGBERN CSc1c(F)c(I)ccc1[N+](=O)[O-] ZINC000575707413 435049245 /nfs/dbraw/zinc/04/92/45/435049245.db2.gz ZTZLDVKWNTXGBO-UHFFFAOYSA-N 0 0 313.091 3.060 10 5 DGBERN COC(=O)c1cc(C)nc(N(C)[C@H]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000561141190 435203013 /nfs/dbraw/zinc/20/30/13/435203013.db2.gz FHNRLTDUJCWMBF-PWSUYJOCSA-N 0 0 321.377 3.100 10 5 DGBERN C[C@H]1C[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475193321 435183264 /nfs/dbraw/zinc/18/32/64/435183264.db2.gz CKNACAHRSJAHTF-YUMQZZPRSA-N 0 0 317.267 3.391 10 5 DGBERN C[C@@H](Sc1ncc(Cl)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000481098416 435408939 /nfs/dbraw/zinc/40/89/39/435408939.db2.gz AKEHKUSXGUUGMG-SSDOTTSWSA-N 0 0 318.782 3.466 10 5 DGBERN COc1cccc(C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000516993669 435567993 /nfs/dbraw/zinc/56/79/93/435567993.db2.gz BXJUFJJJQZPFOG-UHFFFAOYSA-N 0 0 313.357 3.382 10 5 DGBERN Cc1cccc(OCCCNc2ccc([N+](=O)[O-])nc2)c1C ZINC000486490329 435601083 /nfs/dbraw/zinc/60/10/83/435601083.db2.gz WHHMMNTWICWJKP-UHFFFAOYSA-N 0 0 301.346 3.488 10 5 DGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H]1C1CCC1 ZINC000572576479 435842503 /nfs/dbraw/zinc/84/25/03/435842503.db2.gz ZHYPGLZBQVLGBK-OAHLLOKOSA-N 0 0 324.327 3.207 10 5 DGBERN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000408467524 300839668 /nfs/dbraw/zinc/83/96/68/300839668.db2.gz LHPWSJXSUOIJGJ-INWMFGNUSA-N 0 0 323.368 3.039 10 5 DGBERN Cc1cccc([N+](=O)[O-])c1N1CCc2c(nc(C(C)C)n2C)C1 ZINC000108952519 302040871 /nfs/dbraw/zinc/04/08/71/302040871.db2.gz GXMPAAXGNLCHGZ-UHFFFAOYSA-N 0 0 314.389 3.323 10 5 DGBERN CC[C@@H](NC(=O)c1cncc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000133558521 312670935 /nfs/dbraw/zinc/67/09/35/312670935.db2.gz OSFYXQDXXGNVCS-CQSZACIVSA-N 0 0 303.293 3.010 10 5 DGBERN O=C(Nc1cc(F)ccc1O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000174873169 312766343 /nfs/dbraw/zinc/76/63/43/312766343.db2.gz QTCUGLUFLJTIOB-UHFFFAOYSA-N 0 0 315.260 3.173 10 5 DGBERN CCOc1ccc(C(=O)NCC2CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000548384627 314442188 /nfs/dbraw/zinc/44/21/88/314442188.db2.gz NFWZKQCUPXLCHI-UHFFFAOYSA-N 0 0 306.362 3.160 10 5 DGBERN O=[N+]([O-])c1cccc2c1CCN(c1noc(-c3ccccc3)n1)C2 ZINC000548442094 314447890 /nfs/dbraw/zinc/44/78/90/314447890.db2.gz FYIXCICUIMNJPR-UHFFFAOYSA-N 0 0 322.324 3.208 10 5 DGBERN O=[N+]([O-])c1ccc(Nc2cccc(OC[C@@H]3CCCO3)c2)cn1 ZINC000554756211 314699422 /nfs/dbraw/zinc/69/94/22/314699422.db2.gz OMVZAFHKSFPWCH-HNNXBMFYSA-N 0 0 315.329 3.291 10 5 DGBERN COc1ccc([C@H](OC)[C@@H](C)Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC000560839518 314946402 /nfs/dbraw/zinc/94/64/02/314946402.db2.gz UVSOBCUHLMHBSS-BDJLRTHQSA-N 0 0 317.345 3.187 10 5 DGBERN CCC(=O)c1ccc(NCCOCC2CCC2)c([N+](=O)[O-])c1 ZINC000570140232 315627568 /nfs/dbraw/zinc/62/75/68/315627568.db2.gz OCEGGABQIJVVQY-UHFFFAOYSA-N 0 0 306.362 3.416 10 5 DGBERN CCCn1nccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000182655701 323307485 /nfs/dbraw/zinc/30/74/85/323307485.db2.gz WKRZMALNBJFKMK-JTQLQIEISA-N 0 0 320.324 3.083 10 5 DGBERN O=[N+]([O-])c1ccc2c(c1)N(Cc1nc(C3CCCC3)no1)CC2 ZINC000182761420 323311543 /nfs/dbraw/zinc/31/15/43/323311543.db2.gz ZWPJQESQUNHVHO-UHFFFAOYSA-N 0 0 314.345 3.198 10 5 DGBERN CCOc1cccc(NCc2nccn2CC(C)C)c1[N+](=O)[O-] ZINC000183152210 323327662 /nfs/dbraw/zinc/32/76/62/323327662.db2.gz ZIKIHXUYMRXTMK-UHFFFAOYSA-N 0 0 318.377 3.458 10 5 DGBERN NC(=O)c1ccc(Cl)cc1NCCc1ccc([N+](=O)[O-])cc1 ZINC000184427218 323364359 /nfs/dbraw/zinc/36/43/59/323364359.db2.gz HJFSXMIIHZIIJV-UHFFFAOYSA-N 0 0 319.748 3.002 10 5 DGBERN CCC(CC)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000193679203 323467152 /nfs/dbraw/zinc/46/71/52/323467152.db2.gz PZUUKMPNRLAMLP-UHFFFAOYSA-N 0 0 305.378 3.457 10 5 DGBERN COc1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])c(F)c1 ZINC000434941817 533708298 /nfs/dbraw/zinc/70/82/98/533708298.db2.gz FVCZOHUDQPDMMF-UHFFFAOYSA-N 0 0 311.700 3.403 10 5 DGBERN Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3s2)cc1[N+](=O)[O-] ZINC000584622844 337375077 /nfs/dbraw/zinc/37/50/77/337375077.db2.gz SQUODXBLARSXLF-UHFFFAOYSA-N 0 0 316.298 3.362 10 5 DGBERN CC[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)C(=O)OC ZINC000084372485 338001764 /nfs/dbraw/zinc/00/17/64/338001764.db2.gz LMXBPWJFXILNSF-MRXNPFEDSA-N 0 0 322.364 3.069 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1ccoc1 ZINC000177123331 534062309 /nfs/dbraw/zinc/06/23/09/534062309.db2.gz BPGBYQVAXCAQIM-LLVKDONJSA-N 0 0 300.314 3.098 10 5 DGBERN O=[N+]([O-])c1ccc(CO)cc1NCCc1cc(F)ccc1F ZINC000302039337 534881756 /nfs/dbraw/zinc/88/17/56/534881756.db2.gz NEAIBQOXVYVVST-UHFFFAOYSA-N 0 0 308.284 3.020 10 5 DGBERN CCO[C@@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])s2)C12CCCC2 ZINC000192462724 527803568 /nfs/dbraw/zinc/80/35/68/527803568.db2.gz GVNIWGDEKDYAPZ-GHMZBOCLSA-N 0 0 311.407 3.225 10 5 DGBERN CCC[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000301438902 528427314 /nfs/dbraw/zinc/42/73/14/528427314.db2.gz LMRDKBXWFXMFIQ-WFASDCNBSA-N 0 0 317.389 3.431 10 5 DGBERN CC(F)(F)CCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000295877622 528723759 /nfs/dbraw/zinc/72/37/59/528723759.db2.gz YERBMLPQLICGNU-UHFFFAOYSA-N 0 0 306.696 3.413 10 5 DGBERN COc1cc(C)cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000487138979 536642115 /nfs/dbraw/zinc/64/21/15/536642115.db2.gz NWFRWGPEVSQSIQ-UHFFFAOYSA-N 0 0 300.314 3.473 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1CNc1cc(F)ccc1[N+](=O)[O-] ZINC000302790282 546437619 /nfs/dbraw/zinc/43/76/19/546437619.db2.gz GCDPQFFDFWYSBJ-UHFFFAOYSA-N 0 0 321.264 3.263 10 5 DGBERN O=[N+]([O-])[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1F ZINC000203559877 574805502 /nfs/dbraw/zinc/80/55/02/574805502.db2.gz JGEJNSUYFKBRNM-DOTOQJQBSA-N 0 0 300.333 3.070 10 5 DGBERN CCOc1ccc(C(=O)N[C@@H]2CC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000742740359 575016095 /nfs/dbraw/zinc/01/60/95/575016095.db2.gz QDLCMSCUFIQLOJ-NEPJUHHUSA-N 0 0 324.402 3.007 10 5 DGBERN C[C@@H]1CCC[C@H](C)N1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000105580200 618027716 /nfs/dbraw/zinc/02/77/16/618027716.db2.gz CVXVKPHUXRMMEA-AOOOYVTPSA-N 0 0 311.769 3.156 10 5 DGBERN O=C(Cc1ccc(F)cc1F)OCCc1ccccc1[N+](=O)[O-] ZINC000151173941 620427460 /nfs/dbraw/zinc/42/74/60/620427460.db2.gz SHDYJRFHQAECSQ-UHFFFAOYSA-N 0 0 321.279 3.201 10 5 DGBERN C[C@@H](Oc1ccccc1)C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000151238957 620433711 /nfs/dbraw/zinc/43/37/11/620433711.db2.gz DBIZPNRMCLEFDK-CYBMUJFWSA-N 0 0 315.325 3.148 10 5 DGBERN O=C(Cc1ccc(F)c(F)c1)OCCc1ccccc1[N+](=O)[O-] ZINC000151270018 620435082 /nfs/dbraw/zinc/43/50/82/620435082.db2.gz OVSVADCTLVATJF-UHFFFAOYSA-N 0 0 321.279 3.201 10 5 DGBERN COc1ccc(C(=O)OCCSC(C)(C)C)cc1[N+](=O)[O-] ZINC000112763919 620851614 /nfs/dbraw/zinc/85/16/14/620851614.db2.gz GPYHVVOMYGUJKZ-UHFFFAOYSA-N 0 0 313.375 3.292 10 5 DGBERN COc1ccc([N+](=O)[O-])c(C(=O)OCCSC(C)(C)C)c1 ZINC000112763444 620851659 /nfs/dbraw/zinc/85/16/59/620851659.db2.gz MXVHMTCWDKQWGP-UHFFFAOYSA-N 0 0 313.375 3.292 10 5 DGBERN CCC(C)(CC)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000112827521 620856479 /nfs/dbraw/zinc/85/64/79/620856479.db2.gz SYDDSJCWHZQBEP-UHFFFAOYSA-N 0 0 323.349 3.428 10 5 DGBERN CCc1ccc(OC(=O)CCCc2ccccn2)c([N+](=O)[O-])c1 ZINC000127587312 624452317 /nfs/dbraw/zinc/45/23/17/624452317.db2.gz OBRIPPDJODVETJ-UHFFFAOYSA-N 0 0 314.341 3.481 10 5 DGBERN CC[C@H](NC(=O)Nc1cccc(F)n1)c1cccc([N+](=O)[O-])c1 ZINC000134213921 626864346 /nfs/dbraw/zinc/86/43/46/626864346.db2.gz PKIKSJHCHFGQBH-LBPRGKRZSA-N 0 0 318.308 3.402 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCCCOCC(F)(F)F ZINC000101706878 629778255 /nfs/dbraw/zinc/77/82/55/629778255.db2.gz IHEMUWOOOBDPRW-UHFFFAOYSA-N 0 0 321.251 3.029 10 5 DGBERN O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)/C=C/c1ccccc1 ZINC000102661590 630193691 /nfs/dbraw/zinc/19/36/91/630193691.db2.gz ISIWOZAUBYKBHC-CMDGGOBGSA-N 0 0 323.301 3.113 10 5 DGBERN C[C@H](Oc1ccc([N+](=O)[O-])cc1C=O)c1cccc([N+](=O)[O-])c1 ZINC000102701867 630210705 /nfs/dbraw/zinc/21/07/05/630210705.db2.gz MAVZMWXGWSMHTA-JTQLQIEISA-N 0 0 316.269 3.456 10 5 DGBERN CC(C)(C)c1ccc(C(=O)OCC(=O)C2CC2)cc1[N+](=O)[O-] ZINC000109368791 632179772 /nfs/dbraw/zinc/17/97/72/632179772.db2.gz WITKYGRNMCZOJV-UHFFFAOYSA-N 0 0 305.330 3.028 10 5 DGBERN Cc1cccc(CCCOC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000073076574 660238951 /nfs/dbraw/zinc/23/89/51/660238951.db2.gz MOEMGJVOKYHLSS-UHFFFAOYSA-N 0 0 300.314 3.088 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)o1 ZINC000230016250 660574164 /nfs/dbraw/zinc/57/41/64/660574164.db2.gz UPKKXEDRMDASJZ-GYGFLDJKSA-N 0 0 300.314 3.387 10 5 DGBERN CC(C)(C)[C@@H](O)COc1cc(Br)ccc1[N+](=O)[O-] ZINC000703833369 660792586 /nfs/dbraw/zinc/79/25/86/660792586.db2.gz IVQDPIIYIKPJBR-NSHDSACASA-N 0 0 318.167 3.143 10 5 DGBERN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1csc(Cl)n1 ZINC000709614109 660930078 /nfs/dbraw/zinc/93/00/78/660930078.db2.gz VRWGJKOIOGKQKA-UHFFFAOYSA-N 0 0 301.686 3.096 10 5 DGBERN COc1ncccc1C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176945869 655881146 /nfs/dbraw/zinc/88/11/46/655881146.db2.gz LIPRAWJGZXAPDY-LLVKDONJSA-N 0 0 316.313 3.225 10 5 DGBERN COC(=O)C1(NCc2cc(F)ccc2[N+](=O)[O-])CCCCCC1 ZINC000179597079 655909356 /nfs/dbraw/zinc/90/93/56/655909356.db2.gz PIYSJZNVYBHKIG-UHFFFAOYSA-N 0 0 324.352 3.090 10 5 DGBERN CCCCCc1ccc(OC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000123303688 656178323 /nfs/dbraw/zinc/17/83/23/656178323.db2.gz DRLQRWRMMZYNAO-UHFFFAOYSA-N 0 0 317.345 3.130 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1OCc1csc([N+](=O)[O-])c1 ZINC000047171661 656206115 /nfs/dbraw/zinc/20/61/15/656206115.db2.gz HZJLNRNYJAVKNC-UHFFFAOYSA-N 0 0 310.287 3.152 10 5 DGBERN C[C@@H](OC(=O)CCOCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000066878097 656299613 /nfs/dbraw/zinc/29/96/13/656299613.db2.gz CXVQNZVQZDMCOB-SECBINFHSA-N 0 0 321.251 3.168 10 5 DGBERN C[C@H](OC(=O)COCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000066879082 656301077 /nfs/dbraw/zinc/30/10/77/656301077.db2.gz BAFAOIUBDOFOGF-ZDUSSCGKSA-N 0 0 315.325 3.416 10 5 DGBERN Cc1sc(C(=O)OCCCc2ccncc2)cc1[N+](=O)[O-] ZINC000126222898 657049084 /nfs/dbraw/zinc/04/90/84/657049084.db2.gz HTZDWPDFARMLFJ-UHFFFAOYSA-N 0 0 306.343 3.149 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000263536101 658271019 /nfs/dbraw/zinc/27/10/19/658271019.db2.gz ZHCUVWZZLDAPHX-RCBQFDQVSA-N 0 0 318.373 3.121 10 5 DGBERN CO[C@H](C)c1cccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000171056624 659256037 /nfs/dbraw/zinc/25/60/37/659256037.db2.gz JRLRUZLZABGWRK-SNVBAGLBSA-N 0 0 315.329 3.137 10 5 DGBERN Cc1nn(CCC(=O)O[C@H](C)c2cccs2)c(C)c1[N+](=O)[O-] ZINC000171147469 659263668 /nfs/dbraw/zinc/26/36/68/659263668.db2.gz QYZOHZQJFMLQAQ-LLVKDONJSA-N 0 0 323.374 3.164 10 5 DGBERN Cc1cnn([C@H]2CCCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)c1 ZINC000171622746 659291768 /nfs/dbraw/zinc/29/17/68/659291768.db2.gz HGSXPSSCGNHNKR-HNNXBMFYSA-N 0 0 318.352 3.076 10 5 DGBERN O=C(NC/C=C/c1ccccc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000171994219 659309589 /nfs/dbraw/zinc/30/95/89/659309589.db2.gz CXAZBXLPJRHJRX-QPJJXVBHSA-N 0 0 300.289 3.177 10 5 DGBERN C[C@@H](OC(=O)CCc1cscn1)c1ccc([N+](=O)[O-])cc1 ZINC000172023908 659311121 /nfs/dbraw/zinc/31/11/21/659311121.db2.gz KFSMVHRBDBXAMU-SNVBAGLBSA-N 0 0 306.343 3.288 10 5 DGBERN Cc1c(C(=O)N[C@@H](C)C2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000172099269 659316166 /nfs/dbraw/zinc/31/61/66/659316166.db2.gz BTJOEYMGASTTLB-JTQLQIEISA-N 0 0 321.333 3.120 10 5 DGBERN Cc1nn(C)cc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000172772495 659356823 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CCOc1ncccc1C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000074719145 661902472 /nfs/dbraw/zinc/90/24/72/661902472.db2.gz ZUWJLIHOMFIJMU-LLVKDONJSA-N 0 0 316.313 3.307 10 5 DGBERN O=[N+]([O-])c1ccc(F)c(NS(=O)(=O)/C=C/c2ccccc2)c1 ZINC000192726863 662109927 /nfs/dbraw/zinc/10/99/27/662109927.db2.gz LOFSGHIKTFEMDO-CMDGGOBGSA-N 0 0 322.317 3.147 10 5 DGBERN COc1ccc([N+](=O)[O-])c(C(=O)OCCOC2CCCCC2)c1 ZINC000194169521 662159067 /nfs/dbraw/zinc/15/90/67/662159067.db2.gz SDPCHIZKADLNEQ-UHFFFAOYSA-N 0 0 323.345 3.110 10 5 DGBERN C[C@H](CCNc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000194980156 662176479 /nfs/dbraw/zinc/17/64/79/662176479.db2.gz RPOLBKCADDSORC-LLVKDONJSA-N 0 0 309.366 3.310 10 5 DGBERN COc1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1F ZINC000090229816 662257887 /nfs/dbraw/zinc/25/78/87/662257887.db2.gz YAYSYBSCEZVKCX-UHFFFAOYSA-N 0 0 308.240 3.134 10 5 DGBERN COc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1F ZINC000090444495 662263755 /nfs/dbraw/zinc/26/37/55/662263755.db2.gz 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/nfs/dbraw/zinc/63/51/71/1199635171.db2.gz PNLNZHWUMDDHLC-UHFFFAOYSA-N 0 0 307.133 3.343 10 5 DGBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC=C(Cl)Cl ZINC000407141686 1199637181 /nfs/dbraw/zinc/63/71/81/1199637181.db2.gz KMZPKRCKTUWPJD-UHFFFAOYSA-N 0 0 307.108 3.091 10 5 DGBERN O=[N+]([O-])c1cc(Br)cnc1Oc1cncc(F)c1 ZINC000308103481 1199702074 /nfs/dbraw/zinc/70/20/74/1199702074.db2.gz LEDXXRMNCWJAPM-UHFFFAOYSA-N 0 0 314.070 3.079 10 5 DGBERN O=[N+]([O-])c1ccc(NCCc2cccc(Br)c2)cn1 ZINC000313699753 1199773037 /nfs/dbraw/zinc/77/30/37/1199773037.db2.gz JARTVPMLZWWZFY-UHFFFAOYSA-N 0 0 322.162 3.407 10 5 DGBERN C[C@H]1CC[C@@H](CNc2ccc(Br)cc2[N+](=O)[O-])O1 ZINC000128246499 1200767500 /nfs/dbraw/zinc/76/75/00/1200767500.db2.gz PDFJKWVZHFJLTN-WPRPVWTQSA-N 0 0 315.167 3.337 10 5 DGBERN CC(C)(C)OC(=O)CSCc1ccc([N+](=O)[O-])c(F)c1 ZINC000166717187 1203809424 /nfs/dbraw/zinc/80/94/24/1203809424.db2.gz OLOOJEFRTXBPAH-UHFFFAOYSA-N 0 0 301.339 3.309 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@@H]2Cc3ccccc3[C@H]2O)c(Cl)c1 ZINC000170982242 1203841382 /nfs/dbraw/zinc/84/13/82/1203841382.db2.gz BADHOSZIJNXJTN-HUUCEWRRSA-N 0 0 304.733 3.318 10 5 DGBERN C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000050699212 1194611862 /nfs/dbraw/zinc/61/18/62/1194611862.db2.gz PMDJSUBGSYPJNQ-KCJUWKMLSA-N 0 0 311.769 3.139 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1F ZINC000588435355 1082265704 /nfs/dbraw/zinc/26/57/04/1082265704.db2.gz CWVJCVDFRPGQLZ-BENRWUELSA-N 0 0 314.316 3.454 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccco1 ZINC000588435657 1082266965 /nfs/dbraw/zinc/26/69/65/1082266965.db2.gz UTKHIERTRGQWTK-BENRWUELSA-N 0 0 300.314 3.250 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCOC1CCCC1 ZINC000588444764 1082289284 /nfs/dbraw/zinc/28/92/84/1082289284.db2.gz UCOWAFYFOWTJHF-OUKQBFOZSA-N 0 0 318.373 3.074 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(O)c1F ZINC000588447463 1082315800 /nfs/dbraw/zinc/31/58/00/1082315800.db2.gz UXXVZCNITMJIRY-KTKRTIGZSA-N 0 0 316.288 3.482 10 5 DGBERN O=[N+]([O-])c1cnc(NCc2cnccc2C(F)(F)F)s1 ZINC000700802199 1108868213 /nfs/dbraw/zinc/86/82/13/1108868213.db2.gz KYQFKZPBONVEQI-UHFFFAOYSA-N 0 0 304.253 3.077 10 5 DGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccc2ncccc21 ZINC000079141889 185160220 /nfs/dbraw/zinc/16/02/20/185160220.db2.gz TWXBHOFTXRVQQO-UHFFFAOYSA-N 0 0 307.309 3.073 10 5 DGBERN Cc1cccc2[nH]cc(CCNC(=O)c3ccccc3[N+](=O)[O-])c21 ZINC000103129398 432003873 /nfs/dbraw/zinc/00/38/73/432003873.db2.gz OVANYHRESIEFTP-UHFFFAOYSA-N 0 0 323.352 3.357 10 5 DGBERN CCn1ccnc1COc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000176939027 529581394 /nfs/dbraw/zinc/58/13/94/529581394.db2.gz WGUVHIDBERKASJ-UHFFFAOYSA-N 0 0 315.251 3.409 10 5 DGBERN Cn1c(CNc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1 ZINC000090371009 185293107 /nfs/dbraw/zinc/29/31/07/185293107.db2.gz FZONRJKAWIXRMQ-UHFFFAOYSA-N 0 0 309.329 3.002 10 5 DGBERN CCc1ncnc(Oc2ccc(C(C)=O)cc2[N+](=O)[O-])c1F ZINC000301978328 529762431 /nfs/dbraw/zinc/76/24/31/529762431.db2.gz WXQDKEABVYUHIY-UHFFFAOYSA-N 0 0 305.265 3.081 10 5 DGBERN CCC(C)(C)NC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350253 432008579 /nfs/dbraw/zinc/00/85/79/432008579.db2.gz NSQASKBDZMBRSS-UHFFFAOYSA-N 0 0 321.421 3.110 10 5 DGBERN Cc1sc(C(=O)Nc2ccnn2C(C)(C)C)cc1[N+](=O)[O-] ZINC000107126899 185469712 /nfs/dbraw/zinc/46/97/12/185469712.db2.gz ORRGIDUTBZYNDI-UHFFFAOYSA-N 0 0 308.363 3.169 10 5 DGBERN C[C@H](CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[S@](C)=O ZINC000130400423 185963616 /nfs/dbraw/zinc/96/36/16/185963616.db2.gz JAICGZUDXHSXAV-IJSAXESFSA-N 0 0 324.324 3.183 10 5 DGBERN CCc1n[nH]c(C(=O)N[C@@H](C)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000171367999 197925040 /nfs/dbraw/zinc/92/50/40/197925040.db2.gz CIIOKZJULYBOIV-QMMMGPOBSA-N 0 0 322.752 3.025 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCc1ccc(F)cc1 ZINC000067058015 432026001 /nfs/dbraw/zinc/02/60/01/432026001.db2.gz DOARAUMQPYWCHR-UHFFFAOYSA-N 0 0 316.332 3.357 10 5 DGBERN Cc1c(NC(=O)c2ccc(-c3ncon3)cc2)cccc1[N+](=O)[O-] ZINC000107092123 432027479 /nfs/dbraw/zinc/02/74/79/432027479.db2.gz VFJURLBEVHPJEB-UHFFFAOYSA-N 0 0 324.296 3.206 10 5 DGBERN O=C(N[C@H](c1ccco1)c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000072769072 191227762 /nfs/dbraw/zinc/22/77/62/191227762.db2.gz YHCVTYUBPYQCBK-HNNXBMFYSA-N 0 0 312.281 3.300 10 5 DGBERN CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1cccnc1 ZINC000173043606 198180157 /nfs/dbraw/zinc/18/01/57/198180157.db2.gz OMCLFEQUGFTGER-CYBMUJFWSA-N 0 0 313.357 3.142 10 5 DGBERN CC[C@H](NC(=O)NCc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000175900842 198523266 /nfs/dbraw/zinc/52/32/66/198523266.db2.gz SJOXYSLTDLDSHS-LBPRGKRZSA-N 0 0 320.374 3.002 10 5 DGBERN CC[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1nccs1 ZINC000131772083 432037338 /nfs/dbraw/zinc/03/73/38/432037338.db2.gz FMEMWQXJOLVFBK-NSHDSACASA-N 0 0 305.359 3.241 10 5 DGBERN CC[C@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000176618893 198604800 /nfs/dbraw/zinc/60/48/00/198604800.db2.gz IGQZGTXGVXPQGU-ZDUSSCGKSA-N 0 0 323.736 3.139 10 5 DGBERN CCOC(=O)c1ccsc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004281409 181092249 /nfs/dbraw/zinc/09/22/49/181092249.db2.gz DGOOJGROHUXNCN-UHFFFAOYSA-N 0 0 320.326 3.085 10 5 DGBERN CCC[C@@H](N[C@H]1CCCn2ncnc21)c1cccc([N+](=O)[O-])c1 ZINC000164730212 432050743 /nfs/dbraw/zinc/05/07/43/432050743.db2.gz JTJFVEPACYAELZ-CABCVRRESA-N 0 0 315.377 3.152 10 5 DGBERN COCc1cc([N+](=O)[O-])ccc1N(C)CCc1ncc(C)s1 ZINC000166039270 432059027 /nfs/dbraw/zinc/05/90/27/432059027.db2.gz VOFZSHUBRWSISQ-UHFFFAOYSA-N 0 0 321.402 3.185 10 5 DGBERN CCCN(C[C@H]1CCCCO1)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194612972 283287673 /nfs/dbraw/zinc/28/76/73/283287673.db2.gz APZNBIIPKLQVAQ-CQSZACIVSA-N 0 0 320.389 3.325 10 5 DGBERN C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCC1 ZINC000179446673 199036893 /nfs/dbraw/zinc/03/68/93/199036893.db2.gz SFXUWJBCBFCYSB-NSHDSACASA-N 0 0 315.373 3.314 10 5 DGBERN CSCCC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000180625192 199187136 /nfs/dbraw/zinc/18/71/36/199187136.db2.gz VNDJJSDYQXPUNF-UHFFFAOYSA-N 0 0 319.180 3.049 10 5 DGBERN CC[C@H](CSC)NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000185526382 199863125 /nfs/dbraw/zinc/86/31/25/199863125.db2.gz WZYAZSOCTLQGQY-YGNAEDSMSA-N 0 0 308.403 3.256 10 5 DGBERN COc1ccc(F)cc1CNCc1ccc([N+](=O)[O-])cc1C ZINC000189199248 200363196 /nfs/dbraw/zinc/36/31/96/200363196.db2.gz PKQQWWGYRCZFAJ-UHFFFAOYSA-N 0 0 304.321 3.341 10 5 DGBERN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000246085580 432092456 /nfs/dbraw/zinc/09/24/56/432092456.db2.gz LMUXWNKGUPWBJM-ATCWAGBWSA-N 0 0 300.358 3.310 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)N2CCC23CCC3)cc1[N+](=O)[O-] ZINC000435569100 238319165 /nfs/dbraw/zinc/31/91/65/238319165.db2.gz RAOZOWOAFRVVDG-LBPRGKRZSA-N 0 0 303.362 3.302 10 5 DGBERN COc1ccc2c(c1)CCN2C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000058716118 283649763 /nfs/dbraw/zinc/64/97/63/283649763.db2.gz JZQLWQUCZAONKQ-UHFFFAOYSA-N 0 0 312.325 3.115 10 5 DGBERN Cc1c(Cc2noc(-c3cccc(O)c3)n2)cccc1[N+](=O)[O-] ZINC000445228212 239395907 /nfs/dbraw/zinc/39/59/07/239395907.db2.gz KXEWLARNSCTMGP-UHFFFAOYSA-N 0 0 311.297 3.250 10 5 DGBERN O=[N+]([O-])c1ccccc1/C=C\c1nc(-c2cncs2)no1 ZINC000445599021 239435813 /nfs/dbraw/zinc/43/58/13/239435813.db2.gz BPWGHEIJKJGWIL-WAYWQWQTSA-N 0 0 300.299 3.272 10 5 DGBERN C[C@H]1[C@H](c2ccccc2)CCN1c1cc(CO)ccc1[N+](=O)[O-] ZINC000302051874 291313456 /nfs/dbraw/zinc/31/34/56/291313456.db2.gz PCRBSPHUOCYZFS-XJKSGUPXSA-N 0 0 312.369 3.470 10 5 DGBERN C[C@H]1CC[C@H](C)N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000075286814 283818227 /nfs/dbraw/zinc/81/82/27/283818227.db2.gz DLGPPJPSFUFVJS-RYUDHWBXSA-N 0 0 317.389 3.430 10 5 DGBERN O=C(c1cccc2ncccc21)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078149525 283859195 /nfs/dbraw/zinc/85/91/95/283859195.db2.gz BEPIRLXSYWBZNB-UHFFFAOYSA-N 0 0 319.320 3.346 10 5 DGBERN Cc1n[nH]c2cc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc12 ZINC000091836647 193115080 /nfs/dbraw/zinc/11/50/80/193115080.db2.gz XTUHFBYNPAWWFW-UHFFFAOYSA-N 0 0 310.313 3.340 10 5 DGBERN Cc1ccc(NC(=O)c2ncccc2OC(C)C)cc1[N+](=O)[O-] ZINC000079387021 283878868 /nfs/dbraw/zinc/87/88/68/283878868.db2.gz HMIWGQCFUAXWLH-UHFFFAOYSA-N 0 0 315.329 3.338 10 5 DGBERN CC(C)c1csc(NC(=O)c2c(N)cccc2[N+](=O)[O-])n1 ZINC000180966848 432108184 /nfs/dbraw/zinc/10/81/84/432108184.db2.gz QZUGOEFWBWBQQV-UHFFFAOYSA-N 0 0 306.347 3.009 10 5 DGBERN O=C(C/C=C/c1ccc(F)cc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000080581213 283899951 /nfs/dbraw/zinc/89/99/51/283899951.db2.gz IWAPTKGXFXNFCS-OWOJBTEDSA-N 0 0 314.316 3.454 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1ccc(F)cc1 ZINC000103377360 284028848 /nfs/dbraw/zinc/02/88/48/284028848.db2.gz CMDUOJYVXNHWBG-LLVKDONJSA-N 0 0 314.316 3.254 10 5 DGBERN COc1ccc(CNC(=O)[C@H]2CCCCC2(C)C)cc1[N+](=O)[O-] ZINC000468792429 244065715 /nfs/dbraw/zinc/06/57/15/244065715.db2.gz BVJNRUMGMBBSOY-CYBMUJFWSA-N 0 0 320.389 3.436 10 5 DGBERN CC[C@H](CNc1ccc([N+](=O)[O-])nc1)Oc1ccccc1F ZINC000484823481 244908330 /nfs/dbraw/zinc/90/83/30/244908330.db2.gz SMPYUPRTDRNXRC-GFCCVEGCSA-N 0 0 305.309 3.398 10 5 DGBERN O=[N+]([O-])c1c(F)cccc1N1CC[C@@H](CNc2ccccn2)C1 ZINC000171364764 432125669 /nfs/dbraw/zinc/12/56/69/432125669.db2.gz OQOIOYYPLPRMHO-LBPRGKRZSA-N 0 0 316.336 3.067 10 5 DGBERN Cc1cc([N+](=O)[O-])cn(CCc2c(F)cccc2Cl)c1=O ZINC000127186948 284330161 /nfs/dbraw/zinc/33/01/61/284330161.db2.gz SHWPESOZGIIEPN-UHFFFAOYSA-N 0 0 310.712 3.100 10 5 DGBERN CNc1ccc(C(=O)N[C@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000017842015 182087230 /nfs/dbraw/zinc/08/72/30/182087230.db2.gz DYZOSLQHDIGQRW-SECBINFHSA-N 0 0 305.359 3.189 10 5 DGBERN COc1ccc(C(=O)N[C@@H](C)c2ccccc2C)cc1[N+](=O)[O-] ZINC000017963565 182089037 /nfs/dbraw/zinc/08/90/37/182089037.db2.gz RCNWVJKKTFVWLO-LBPRGKRZSA-N 0 0 314.341 3.403 10 5 DGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)NCCC1=CCCC1 ZINC000160154755 197389397 /nfs/dbraw/zinc/38/93/97/197389397.db2.gz FHZZYWOMOGNFKQ-UHFFFAOYSA-N 0 0 306.387 3.304 10 5 DGBERN Cc1sc(C(=O)N[C@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000160100119 197385180 /nfs/dbraw/zinc/38/51/80/197385180.db2.gz GTCWITYJRHQNJT-NSHDSACASA-N 0 0 324.402 3.186 10 5 DGBERN O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1CCCO1 ZINC000021145248 182266460 /nfs/dbraw/zinc/26/64/60/182266460.db2.gz CHKRNJPNOCIZBU-INIZCTEOSA-N 0 0 312.325 3.379 10 5 DGBERN CCCCOC(=O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 ZINC000021993066 182302556 /nfs/dbraw/zinc/30/25/56/182302556.db2.gz GQZCGTMUTMPVJZ-UHFFFAOYSA-N 0 0 302.670 3.113 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCc2cccs2)c1 ZINC000136294410 284499198 /nfs/dbraw/zinc/49/91/98/284499198.db2.gz NBFCKVPAGARJBU-UHFFFAOYSA-N 0 0 306.343 3.098 10 5 DGBERN O=[N+]([O-])c1cc(Br)ccc1NCc1cscn1 ZINC000040505055 183085539 /nfs/dbraw/zinc/08/55/39/183085539.db2.gz XSBNMLVNSHKGPN-UHFFFAOYSA-N 0 0 314.164 3.426 10 5 DGBERN CCN(c1ccccc1)c1ncnc(NC(C)C)c1[N+](=O)[O-] ZINC000040573225 183104141 /nfs/dbraw/zinc/10/41/41/183104141.db2.gz AZCWKQPPIJQWGN-UHFFFAOYSA-N 0 0 301.350 3.363 10 5 DGBERN COc1ccc(C)cc1Nc1ncnc(OC(C)C)c1[N+](=O)[O-] ZINC000040584017 183105253 /nfs/dbraw/zinc/10/52/53/183105253.db2.gz ZEIRNLWANNXWKC-UHFFFAOYSA-N 0 0 318.333 3.233 10 5 DGBERN Cc1ccc(Nc2ncnc(N(C)C)c2[N+](=O)[O-])cc1Cl ZINC000040590812 183106123 /nfs/dbraw/zinc/10/61/23/183106123.db2.gz URJXDYYQZNYMPJ-UHFFFAOYSA-N 0 0 307.741 3.156 10 5 DGBERN CCNc1ncnc(Nc2cccc3ccc(C)nc32)c1[N+](=O)[O-] ZINC000040596240 183106892 /nfs/dbraw/zinc/10/68/92/183106892.db2.gz ZULFDPWZFFFXJX-UHFFFAOYSA-N 0 0 324.344 3.417 10 5 DGBERN CCN(CC)c1ncnc(Oc2ccccc2OC)c1[N+](=O)[O-] ZINC000040608262 183108552 /nfs/dbraw/zinc/10/85/52/183108552.db2.gz PLYRWOUIMWBTKU-UHFFFAOYSA-N 0 0 318.333 3.032 10 5 DGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccccn1 ZINC000041005250 183155456 /nfs/dbraw/zinc/15/54/56/183155456.db2.gz MOXQHEPORSFUKF-UHFFFAOYSA-N 0 0 322.118 3.005 10 5 DGBERN CC(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000043596709 183375472 /nfs/dbraw/zinc/37/54/72/183375472.db2.gz XMMHIEICPPCENH-VIFPVBQESA-N 0 0 317.183 3.176 10 5 DGBERN Cc1ccc(OC[C@@H](O)COc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000154064283 284709978 /nfs/dbraw/zinc/70/99/78/284709978.db2.gz RVBZEWOCNVXTIC-CQSZACIVSA-N 0 0 317.341 3.030 10 5 DGBERN O=[N+]([O-])c1cc(CN[C@@H]2COc3ccccc32)ccc1Cl ZINC000105468606 194105543 /nfs/dbraw/zinc/10/55/43/194105543.db2.gz RYGGYJZAMAOSFM-CYBMUJFWSA-N 0 0 304.733 3.472 10 5 DGBERN C[C@H]1CCC[C@H](C)N1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000110711690 194353282 /nfs/dbraw/zinc/35/32/82/194353282.db2.gz NMRVSRHIKLXNHS-QWRGUYRKSA-N 0 0 301.346 3.479 10 5 DGBERN Cc1ccc(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000116205978 194724898 /nfs/dbraw/zinc/72/48/98/194724898.db2.gz BBPTVZCRSDXLGR-UHFFFAOYSA-N 0 0 323.352 3.357 10 5 DGBERN O=[N+]([O-])c1ccccc1CN(c1ccnc(C2CC2)n1)C1CC1 ZINC000119990041 195076320 /nfs/dbraw/zinc/07/63/20/195076320.db2.gz XNZGRVFCJZLQHF-UHFFFAOYSA-N 0 0 310.357 3.431 10 5 DGBERN O=[N+]([O-])c1cccc(/C=C2\CCCC=C2N2CCOCC2)c1 ZINC000103646976 285153235 /nfs/dbraw/zinc/15/32/35/285153235.db2.gz GLPSPNIYPXWRDE-NTCAYCPXSA-N 0 0 300.358 3.378 10 5 DGBERN CO[C@H](C)c1nc(CN(C)c2ncc([N+](=O)[O-])cc2C)cs1 ZINC000301584829 533122963 /nfs/dbraw/zinc/12/29/63/533122963.db2.gz VQNJROZGIFMMAL-SNVBAGLBSA-N 0 0 322.390 3.099 10 5 DGBERN C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@H](O)Cc1ccccc1 ZINC000120669621 195212313 /nfs/dbraw/zinc/21/23/13/195212313.db2.gz AMCBAWFOCLJTQD-IINYFYTJSA-N 0 0 321.764 3.047 10 5 DGBERN C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@H](O)Cc1ccccc1 ZINC000120669767 195212315 /nfs/dbraw/zinc/21/23/15/195212315.db2.gz AMCBAWFOCLJTQD-QMTHXVAHSA-N 0 0 321.764 3.047 10 5 DGBERN Cc1cnc([C@H](C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000125106067 195713206 /nfs/dbraw/zinc/71/32/06/195713206.db2.gz OQCKBVZPYOPKFV-QMMMGPOBSA-N 0 0 303.347 3.409 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(Cc2ccon2)no1 ZINC000356806709 285497280 /nfs/dbraw/zinc/49/72/80/285497280.db2.gz HABASBSMWHSTNT-NTMALXAHSA-N 0 0 312.285 3.117 10 5 DGBERN O=[N+]([O-])c1c(N[C@@H]2CCCC(F)(F)C2)nc2sccn21 ZINC000486912557 296496991 /nfs/dbraw/zinc/49/69/91/296496991.db2.gz QGNVGPMIPJJGCE-SSDOTTSWSA-N 0 0 302.306 3.294 10 5 DGBERN CC(=O)c1cc(N2CCC[C@@H](OC(F)F)C2)ccc1[N+](=O)[O-] ZINC000588014253 400180550 /nfs/dbraw/zinc/18/05/50/400180550.db2.gz OLMGDAPSKNEMNG-LLVKDONJSA-N 0 0 314.288 3.005 10 5 DGBERN O=[N+]([O-])c1cnccc1NCCCCOCc1ccccc1 ZINC000066811384 400121139 /nfs/dbraw/zinc/12/11/39/400121139.db2.gz YGZCRNJLHFOXFO-UHFFFAOYSA-N 0 0 301.346 3.399 10 5 DGBERN CC(C)(C)Oc1cc(CNc2ncccc2[N+](=O)[O-])ccn1 ZINC000091674390 400131149 /nfs/dbraw/zinc/13/11/49/400131149.db2.gz SCHNZTLLMUUREA-UHFFFAOYSA-N 0 0 302.334 3.174 10 5 DGBERN Cn1ccnc1C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000610282335 400234281 /nfs/dbraw/zinc/23/42/81/400234281.db2.gz LAXFZGBVKLJRGX-OAHLLOKOSA-N 0 0 323.356 3.119 10 5 DGBERN O=C(NC1CC1)c1ccc(NCCCC2CC2)c([N+](=O)[O-])c1 ZINC000609894357 400200509 /nfs/dbraw/zinc/20/05/09/400200509.db2.gz SPSPAIFGTJUZML-UHFFFAOYSA-N 0 0 303.362 3.089 10 5 DGBERN Cc1cc(N[C@@H](CO)c2ccc(Cl)cc2)ncc1[N+](=O)[O-] ZINC000092961025 400216073 /nfs/dbraw/zinc/21/60/73/400216073.db2.gz GWLVIIZSASQILY-LBPRGKRZSA-N 0 0 307.737 3.097 10 5 DGBERN Cc1c(NC(=O)NC[C@H](C)c2ccncc2)cccc1[N+](=O)[O-] ZINC000610530413 400272911 /nfs/dbraw/zinc/27/29/11/400272911.db2.gz LFVOOILYXNXNSR-NSHDSACASA-N 0 0 314.345 3.223 10 5 DGBERN Cc1ccccc1CC1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000610660539 400287123 /nfs/dbraw/zinc/28/71/23/400287123.db2.gz UGJAALMLOJBYMN-UHFFFAOYSA-N 0 0 324.380 3.147 10 5 DGBERN O=[N+]([O-])c1sccc1NCC[C@H]1COc2ccccc2O1 ZINC000610808810 400309117 /nfs/dbraw/zinc/30/91/17/400309117.db2.gz IKDJENYOXJBQDW-JTQLQIEISA-N 0 0 306.343 3.298 10 5 DGBERN Cc1cccc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000110441889 400356821 /nfs/dbraw/zinc/35/68/21/400356821.db2.gz YHXCIYLITKHPRX-GDBMZVCRSA-N 0 0 310.353 3.437 10 5 DGBERN C[C@@H](CO)CNc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000611230665 400361790 /nfs/dbraw/zinc/36/17/90/400361790.db2.gz RSOQTQYDXWVXEK-GFCCVEGCSA-N 0 0 302.330 3.427 10 5 DGBERN COc1cc(NC[C@H](C)c2ccncc2)c(F)cc1[N+](=O)[O-] ZINC000611256162 400367107 /nfs/dbraw/zinc/36/71/07/400367107.db2.gz QOWWILMMSUXHAD-JTQLQIEISA-N 0 0 305.309 3.353 10 5 DGBERN CCOC(=O)c1cc([N+](=O)[O-])c(Br)cc1Cl ZINC000037366522 400393763 /nfs/dbraw/zinc/39/37/63/400393763.db2.gz KMJJQSJJLMVSDX-UHFFFAOYSA-N 0 0 308.515 3.187 10 5 DGBERN Cc1ccc(Sc2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1 ZINC000041817319 400413566 /nfs/dbraw/zinc/41/35/66/400413566.db2.gz HCHKWAUVUUQXQR-UHFFFAOYSA-N 0 0 313.338 3.062 10 5 DGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)OCc1ccccc1 ZINC000039311059 400397797 /nfs/dbraw/zinc/39/77/97/400397797.db2.gz IVPQPFTUCYEAMN-UHFFFAOYSA-N 0 0 302.286 3.352 10 5 DGBERN COc1ccc2oc3cnc(-c4cccnc4)cc3c(=O)c2c1 ZINC000117727494 400421328 /nfs/dbraw/zinc/42/13/28/400421328.db2.gz GIZREEFZNBVRSU-UHFFFAOYSA-N 0 0 304.305 3.412 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@H](c3ccsc3)C2)n1 ZINC000611617147 400429124 /nfs/dbraw/zinc/42/91/24/400429124.db2.gz KMATVTATPFCWER-ZDUSSCGKSA-N 0 0 319.386 3.246 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(NCCC[C@@H]2CCCC[C@@H]2O)n1 ZINC000611617225 400429244 /nfs/dbraw/zinc/42/92/44/400429244.db2.gz RVHUZJLTAUVIFE-KBPBESRZSA-N 0 0 307.394 3.350 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(NCCC[C@@H]2CCCC[C@H]2O)n1 ZINC000611617227 400429371 /nfs/dbraw/zinc/42/93/71/400429371.db2.gz RVHUZJLTAUVIFE-UONOGXRCSA-N 0 0 307.394 3.350 10 5 DGBERN Cc1ccc(CN(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000129843095 400530779 /nfs/dbraw/zinc/53/07/79/400530779.db2.gz JJRMTZABRLVBPC-UHFFFAOYSA-N 0 0 313.313 3.250 10 5 DGBERN C[C@@H](c1ccncc1)N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130182895 400535584 /nfs/dbraw/zinc/53/55/84/400535584.db2.gz SGICAFVYFXDIBI-NSHDSACASA-N 0 0 324.340 3.304 10 5 DGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)c1nccs1 ZINC000131529363 400550906 /nfs/dbraw/zinc/55/09/06/400550906.db2.gz MDZNLDPMCNSBOK-GFCCVEGCSA-N 0 0 305.359 3.241 10 5 DGBERN O=[N+]([O-])c1cnc(N[C@@H]2CCC[C@H]3C[C@H]32)c(Br)c1 ZINC000591994437 400593825 /nfs/dbraw/zinc/59/38/25/400593825.db2.gz WRFOZBZZTIPPCB-JVUFJMBOSA-N 0 0 312.167 3.353 10 5 DGBERN CC(C)(C)OC(=O)CCn1cnc(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000147104509 400650955 /nfs/dbraw/zinc/65/09/55/400650955.db2.gz LITQGJNKQUIETR-UHFFFAOYSA-N 0 0 317.345 3.190 10 5 DGBERN CNc1ccc(N2CCC(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000149236184 400658994 /nfs/dbraw/zinc/65/89/94/400658994.db2.gz WVOZOGIGTXSWFA-UHFFFAOYSA-N 0 0 303.284 3.415 10 5 DGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)OCc1ccccn1 ZINC000048533519 400657984 /nfs/dbraw/zinc/65/79/84/400657984.db2.gz HSLBKTQMXLLCAX-UHFFFAOYSA-N 0 0 307.693 3.392 10 5 DGBERN CC(=O)c1cc([N+](=O)[O-])ccc1OCc1cnc(C2CC2)o1 ZINC000603423904 400684991 /nfs/dbraw/zinc/68/49/91/400684991.db2.gz QUTBPIHSPKTLLS-UHFFFAOYSA-N 0 0 302.286 3.242 10 5 DGBERN Cc1cc(NC(=O)[C@@H]2C[C@@H]2C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000161821226 400742934 /nfs/dbraw/zinc/74/29/34/400742934.db2.gz PNZNPJITLGJCBW-CHWSQXEVSA-N 0 0 311.341 3.436 10 5 DGBERN O=[N+]([O-])c1cccc(F)c1COc1ccccc1-c1nc[nH]n1 ZINC000165373781 400752141 /nfs/dbraw/zinc/75/21/41/400752141.db2.gz YACBMDBJAJNUCF-UHFFFAOYSA-N 0 0 314.276 3.098 10 5 DGBERN O=[N+]([O-])c1c(NC[C@H]2CCCC[C@H]2O)ccc2ncccc21 ZINC000077208401 400695033 /nfs/dbraw/zinc/69/50/33/400695033.db2.gz RMQJVHITUFUFBI-IAQYHMDHSA-N 0 0 301.346 3.106 10 5 DGBERN CC[C@@H](NC(=O)[C@H](C)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000155212141 400701446 /nfs/dbraw/zinc/70/14/46/400701446.db2.gz ZQOQWEOQOBXSJK-MLGOLLRUSA-N 0 0 320.389 3.225 10 5 DGBERN CSCCCCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000077348989 400710853 /nfs/dbraw/zinc/71/08/53/400710853.db2.gz FSQQOFQPXUFYMF-LLVKDONJSA-N 0 0 311.407 3.098 10 5 DGBERN CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000168594756 400757595 /nfs/dbraw/zinc/75/75/95/400757595.db2.gz BPMARSAPCROSJI-UHFFFAOYSA-N 0 0 302.124 3.313 10 5 DGBERN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c(C)c1 ZINC000171311788 400795565 /nfs/dbraw/zinc/79/55/65/400795565.db2.gz KHAIDVWECFTTLL-UHFFFAOYSA-N 0 0 300.314 3.473 10 5 DGBERN O=C(Cc1ccccc1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000172414111 400825491 /nfs/dbraw/zinc/82/54/91/400825491.db2.gz OCUARAVJEBAYDH-UHFFFAOYSA-N 0 0 312.369 3.276 10 5 DGBERN CC(=O)c1ccc(N[C@@H](C2CC2)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000593491381 400865287 /nfs/dbraw/zinc/86/52/87/400865287.db2.gz ICRXLEKABDDJRS-KRWDZBQOSA-N 0 0 318.373 3.415 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)CCNc2ccccc2[N+](=O)[O-])o1 ZINC000198813796 400935359 /nfs/dbraw/zinc/93/53/59/400935359.db2.gz UZGSRCYEEKAEAD-LBPRGKRZSA-N 0 0 317.345 3.176 10 5 DGBERN O=[N+]([O-])c1cccc(C(F)(F)F)c1I ZINC000238573704 400999076 /nfs/dbraw/zinc/99/90/76/400999076.db2.gz RQBYEIOGFZKXKL-UHFFFAOYSA-N 0 0 317.004 3.218 10 5 DGBERN CC[C@H](NC(=O)N(C)[C@H](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090687764 401271532 /nfs/dbraw/zinc/27/15/32/401271532.db2.gz ZEFVELIPABSMBO-ABAIWWIYSA-N 0 0 305.378 3.486 10 5 DGBERN C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000359151714 286249189 /nfs/dbraw/zinc/24/91/89/286249189.db2.gz HJAJJXVLYULBBK-LLVKDONJSA-N 0 0 303.362 3.067 10 5 DGBERN C[C@@H]1CC[C@H](C)CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000408025025 296685519 /nfs/dbraw/zinc/68/55/19/296685519.db2.gz MQXKVHNKBWCNFR-WDEREUQCSA-N 0 0 301.346 3.337 10 5 DGBERN Cc1cnc(COc2c(Br)cccc2[N+](=O)[O-])nc1 ZINC000361003468 286574377 /nfs/dbraw/zinc/57/43/77/286574377.db2.gz TWGXSESIXKBJBX-UHFFFAOYSA-N 0 0 324.134 3.035 10 5 DGBERN O=[N+]([O-])c1ccc(NCc2c(F)cc(F)c(F)c2F)cn1 ZINC000362366143 286806586 /nfs/dbraw/zinc/80/65/86/286806586.db2.gz SATRLJHTAUSDRW-UHFFFAOYSA-N 0 0 301.199 3.158 10 5 DGBERN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000150882381 287041383 /nfs/dbraw/zinc/04/13/83/287041383.db2.gz ZTTKZZJRMVQYOB-CYBMUJFWSA-N 0 0 323.356 3.026 10 5 DGBERN CO[C@H](C)c1cccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000172948330 164679848 /nfs/dbraw/zinc/67/98/48/164679848.db2.gz KLCCHLHJOHGGAM-GFCCVEGCSA-N 0 0 314.341 3.483 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(NCc2cnn(-c3ccccc3)c2)n1 ZINC000178160872 164827631 /nfs/dbraw/zinc/82/76/31/164827631.db2.gz JLOYLPXBKXVDNX-UHFFFAOYSA-N 0 0 309.329 3.096 10 5 DGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1Cc2ccccc2C2(CC2)C1 ZINC000184606385 164981952 /nfs/dbraw/zinc/98/19/52/164981952.db2.gz NNLHGDDXWKYALQ-UHFFFAOYSA-N 0 0 322.364 3.211 10 5 DGBERN COc1cccc(N2CCO[C@H](c3ccc(C)o3)C2)c1[N+](=O)[O-] ZINC000185630286 165011210 /nfs/dbraw/zinc/01/12/10/165011210.db2.gz VBXSOLWMDAMITJ-HNNXBMFYSA-N 0 0 318.329 3.083 10 5 DGBERN O=[N+]([O-])c1ccccc1CNCc1ncc(-c2ccccc2)cn1 ZINC000185864939 165018761 /nfs/dbraw/zinc/01/87/61/165018761.db2.gz HSOYHVLORVYEJG-UHFFFAOYSA-N 0 0 320.352 3.342 10 5 DGBERN CSc1cccc(C(=O)NCCc2ccsc2)c1[N+](=O)[O-] ZINC000186121140 165027533 /nfs/dbraw/zinc/02/75/33/165027533.db2.gz OAWXLCGBEIQJNC-UHFFFAOYSA-N 0 0 322.411 3.351 10 5 DGBERN CSCCCCCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000187418720 165089461 /nfs/dbraw/zinc/08/94/61/165089461.db2.gz BKTNVCHUZZVXHB-UHFFFAOYSA-N 0 0 302.421 3.228 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1NCCCc1cccc(F)c1 ZINC000192584451 165299229 /nfs/dbraw/zinc/29/92/29/165299229.db2.gz ZZDDGVZUWMYLHG-UHFFFAOYSA-N 0 0 306.341 3.303 10 5 DGBERN Cc1cc(C)n([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000194214579 165340869 /nfs/dbraw/zinc/34/08/69/165340869.db2.gz QJEYNMMQOMTGTE-ZDUSSCGKSA-N 0 0 316.361 3.225 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2cnco2)c1 ZINC000194757544 165355382 /nfs/dbraw/zinc/35/53/82/165355382.db2.gz CXOZYWQJOHPDTD-UHFFFAOYSA-N 0 0 324.296 3.206 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(c1ccc(F)cc1)C(C)C ZINC000194768054 165355831 /nfs/dbraw/zinc/35/58/31/165355831.db2.gz BHTVSUUJQBWCJV-UHFFFAOYSA-N 0 0 317.320 3.493 10 5 DGBERN Cc1csc([C@@H]2CCCN(c3ncc([N+](=O)[O-])s3)C2)n1 ZINC000195512129 165372118 /nfs/dbraw/zinc/37/21/18/165372118.db2.gz OAVWXIUVFHFXMR-SECBINFHSA-N 0 0 310.404 3.200 10 5 DGBERN CCCN(C[C@H]1CCCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000171685573 432159483 /nfs/dbraw/zinc/15/94/83/432159483.db2.gz IFJBSWLBIHCDHD-OAHLLOKOSA-N 0 0 321.377 3.408 10 5 DGBERN O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2c2nc[nH]n2)c(Cl)c1 ZINC000182395842 432186864 /nfs/dbraw/zinc/18/68/64/432186864.db2.gz MOUQSHWFDRYSFF-CYBMUJFWSA-N 0 0 321.768 3.094 10 5 DGBERN CC(C)[C@H](C)CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000172448057 432214687 /nfs/dbraw/zinc/21/46/87/432214687.db2.gz IRLGPZGJOAOFGJ-VXGBXAGGSA-N 0 0 310.419 3.484 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1ccco1 ZINC000172243790 432205437 /nfs/dbraw/zinc/20/54/37/432205437.db2.gz DXFPBKIPJACJRB-ZDUSSCGKSA-N 0 0 316.313 3.174 10 5 DGBERN O=[N+]([O-])c1ccc(OCc2noc(-c3ccc(F)cc3)n2)cc1 ZINC000247324397 432221158 /nfs/dbraw/zinc/22/11/58/432221158.db2.gz NAFXAZQHZIACMG-UHFFFAOYSA-N 0 0 315.260 3.363 10 5 DGBERN Cc1nccn1C[C@@H]1CCCN1c1ccc(C)cc1[N+](=O)[O-] ZINC000269935492 432223856 /nfs/dbraw/zinc/22/38/56/432223856.db2.gz NYFUKZLBHCNEFJ-AWEZNQCLSA-N 0 0 300.362 3.077 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCCCS2)c1 ZINC000134359787 196382188 /nfs/dbraw/zinc/38/21/88/196382188.db2.gz AGCUXUUBWXSHFR-LLVKDONJSA-N 0 0 310.375 3.079 10 5 DGBERN Cc1sc(C(=O)N[C@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000171387993 228270833 /nfs/dbraw/zinc/27/08/33/228270833.db2.gz WJOJDRXLIRGEFJ-MRVPVSSYSA-N 0 0 306.343 3.161 10 5 DGBERN Cc1c(CC(=O)N(C)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000178550820 228342721 /nfs/dbraw/zinc/34/27/21/228342721.db2.gz XODGYWHPFRISHL-UHFFFAOYSA-N 0 0 316.332 3.243 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(C)(C(C)C)CC1 ZINC000190346296 228505333 /nfs/dbraw/zinc/50/53/33/228505333.db2.gz ZYNFPYPUFBUFPG-UHFFFAOYSA-N 0 0 305.378 3.197 10 5 DGBERN Cc1cc(N[C@@H]2CCCC[C@@H]2O)c2cccc([N+](=O)[O-])c2n1 ZINC000302027980 230045506 /nfs/dbraw/zinc/04/55/06/230045506.db2.gz RBUQLYFAIGDHLV-DOMZBBRYSA-N 0 0 301.346 3.167 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCc1ccccc1O ZINC000192713453 263783182 /nfs/dbraw/zinc/78/31/82/263783182.db2.gz IWLWCFHKCJMSNC-UHFFFAOYSA-N 0 0 314.341 3.489 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(C2CCOCC2)no1 ZINC000351531260 264721475 /nfs/dbraw/zinc/72/14/75/264721475.db2.gz DANQUGDLXDMXDO-ZHACJKMWSA-N 0 0 315.329 3.432 10 5 DGBERN COCc1nc(CS[C@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000182875665 432238567 /nfs/dbraw/zinc/23/85/67/432238567.db2.gz XPULUTBQUKXVOC-SECBINFHSA-N 0 0 309.347 3.119 10 5 DGBERN CC[C@H](NCc1cn(C(C)(C)C)nn1)c1cccc([N+](=O)[O-])c1 ZINC000191290077 432244917 /nfs/dbraw/zinc/24/49/17/432244917.db2.gz FNXDBOMUQHXBFM-HNNXBMFYSA-N 0 0 317.393 3.182 10 5 DGBERN O=[N+]([O-])c1ccc(-c2nccn2C[C@@H](O)CC2CCCC2)cc1 ZINC000191310135 432247844 /nfs/dbraw/zinc/24/78/44/432247844.db2.gz AQKQMCMDWUIIEW-INIZCTEOSA-N 0 0 315.373 3.400 10 5 DGBERN Cc1cc(C)c(CNC(=O)c2cc([N+](=O)[O-])cnc2C)c(C)c1 ZINC000045203876 270951115 /nfs/dbraw/zinc/95/11/15/270951115.db2.gz JVXLYAKVBYHBKF-UHFFFAOYSA-N 0 0 313.357 3.153 10 5 DGBERN C[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000611708464 430568908 /nfs/dbraw/zinc/56/89/08/430568908.db2.gz OMCFNOIVLDSNKX-LLVKDONJSA-N 0 0 309.329 3.149 10 5 DGBERN C[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000611708466 430569005 /nfs/dbraw/zinc/56/90/05/430569005.db2.gz OMCFNOIVLDSNKX-NSHDSACASA-N 0 0 309.329 3.149 10 5 DGBERN Cc1cc(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)no1 ZINC000183694763 278653180 /nfs/dbraw/zinc/65/31/80/278653180.db2.gz BDPPZNSAZZNPLD-UHFFFAOYSA-N 0 0 312.285 3.000 10 5 DGBERN O=C(Cn1c2ccccc2[nH]c1=S)c1ccc([N+](=O)[O-])cc1 ZINC000000045452 431113795 /nfs/dbraw/zinc/11/37/95/431113795.db2.gz KCFZXLRTOLBXAU-UHFFFAOYSA-N 0 0 313.338 3.490 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccccc1F ZINC000007954736 431372196 /nfs/dbraw/zinc/37/21/96/431372196.db2.gz XGOSYDZSUMEICS-UHFFFAOYSA-N 0 0 303.293 3.093 10 5 DGBERN Cc1sc(C(=O)N2CCC[C@@H]2c2cccn2C)cc1[N+](=O)[O-] ZINC000074351785 431415318 /nfs/dbraw/zinc/41/53/18/431415318.db2.gz VRIFZTSSLGUYTJ-GFCCVEGCSA-N 0 0 319.386 3.281 10 5 DGBERN CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@H](C)c1cccnc1 ZINC000115230488 431441307 /nfs/dbraw/zinc/44/13/07/431441307.db2.gz NGZDXYZWPDVROT-LLVKDONJSA-N 0 0 317.320 3.352 10 5 DGBERN C[C@@H]1CC[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000075288774 431465623 /nfs/dbraw/zinc/46/56/23/431465623.db2.gz KLZLYMKXAAVLPB-MNOVXSKESA-N 0 0 310.781 3.438 10 5 DGBERN CC[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1nccs1 ZINC000131479448 292656391 /nfs/dbraw/zinc/65/63/91/292656391.db2.gz NJRRFIIHQCPERH-JTQLQIEISA-N 0 0 309.322 3.072 10 5 DGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1ccco1 ZINC000116046833 431482809 /nfs/dbraw/zinc/48/28/09/431482809.db2.gz NSVYLVBXRACPHT-AWEZNQCLSA-N 0 0 300.314 3.094 10 5 DGBERN Cc1sc(C(=O)N[C@@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000121183956 431749645 /nfs/dbraw/zinc/74/96/45/431749645.db2.gz OXWQPOYSZSPESA-SNVBAGLBSA-N 0 0 306.343 3.365 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ncccc1OC(C)C ZINC000079387023 431723085 /nfs/dbraw/zinc/72/30/85/431723085.db2.gz HGXFQZVAMWRDHT-UHFFFAOYSA-N 0 0 315.329 3.338 10 5 DGBERN COc1cc(NCc2cccc3c2OCO3)c([N+](=O)[O-])cc1F ZINC000122624877 431840567 /nfs/dbraw/zinc/84/05/67/431840567.db2.gz KWRCAJZAUVUSFI-UHFFFAOYSA-N 0 0 320.276 3.083 10 5 DGBERN CC(=O)[C@H](C)CCCCC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089306529 431863271 /nfs/dbraw/zinc/86/32/71/431863271.db2.gz DRTIVSIKNHBNRA-CYBMUJFWSA-N 0 0 320.389 3.039 10 5 DGBERN CC(=O)[C@@H](C)CCCCC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089306527 431863484 /nfs/dbraw/zinc/86/34/84/431863484.db2.gz DRTIVSIKNHBNRA-ZDUSSCGKSA-N 0 0 320.389 3.039 10 5 DGBERN Cc1ccccc1[C@H](C)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000042801115 431865524 /nfs/dbraw/zinc/86/55/24/431865524.db2.gz BISIJOGRRBSZPA-ZDUSSCGKSA-N 0 0 313.357 3.464 10 5 DGBERN Cc1noc(C)c1C(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084809900 431833595 /nfs/dbraw/zinc/83/35/95/431833595.db2.gz UMMURDSCXDWMRH-JTQLQIEISA-N 0 0 304.302 3.426 10 5 DGBERN CCOC[C@H](C)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000044683180 431877027 /nfs/dbraw/zinc/87/70/27/431877027.db2.gz DFVNNNXNZGKZLT-QMMMGPOBSA-N 0 0 303.156 3.194 10 5 DGBERN COc1cc(F)ccc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000045442531 431885875 /nfs/dbraw/zinc/88/58/75/431885875.db2.gz KXWOGRBQDBHZCJ-UHFFFAOYSA-N 0 0 310.306 3.365 10 5 DGBERN CC[C@H](NC(=O)Nc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000090090254 431889564 /nfs/dbraw/zinc/88/95/64/431889564.db2.gz QXHNHIVDDDMLPC-AWEZNQCLSA-N 0 0 300.318 3.263 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1nc(C2CC2)cs1 ZINC000127486738 431973433 /nfs/dbraw/zinc/97/34/33/431973433.db2.gz QABMDTLWKJNBNY-UHFFFAOYSA-N 0 0 317.370 3.167 10 5 DGBERN O=[N+]([O-])c1ccc(CCN2CCO[C@H](c3ccsc3)C2)cc1 ZINC000126561847 431953369 /nfs/dbraw/zinc/95/33/69/431953369.db2.gz MPUKLWVOEWCMGT-INIZCTEOSA-N 0 0 318.398 3.272 10 5 DGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1CCCC[C@@H]1O ZINC000052006198 431953794 /nfs/dbraw/zinc/95/37/94/431953794.db2.gz JXHIVYICEHUMGA-PWSUYJOCSA-N 0 0 315.167 3.073 10 5 DGBERN CCCN(CCC)c1c(Br)cncc1[N+](=O)[O-] ZINC000098178794 431980705 /nfs/dbraw/zinc/98/07/05/431980705.db2.gz KAZICGRGRUPOOB-UHFFFAOYSA-N 0 0 302.172 3.379 10 5 DGBERN Cc1ccc(C(=O)Nc2cccc(-c3ncon3)c2)cc1[N+](=O)[O-] ZINC000101526168 431984669 /nfs/dbraw/zinc/98/46/69/431984669.db2.gz RDPFUHCAGLQOKI-UHFFFAOYSA-N 0 0 324.296 3.206 10 5 DGBERN CC1(C)CN(c2ncccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000302721846 281272375 /nfs/dbraw/zinc/27/23/75/281272375.db2.gz MIUFGLFAOHZYPJ-SNVBAGLBSA-N 0 0 303.284 3.405 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H](c2ccco2)C1 ZINC000183389030 432287925 /nfs/dbraw/zinc/28/79/25/432287925.db2.gz XLKCMGMYHKNZOM-MRXNPFEDSA-N 0 0 302.330 3.070 10 5 DGBERN Cc1sc(C(=O)NCCC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000183480517 432297292 /nfs/dbraw/zinc/29/72/92/432297292.db2.gz DVVCZYOFJCELQO-NSHDSACASA-N 0 0 312.391 3.044 10 5 DGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCOc2ccccc21 ZINC000102635530 431996468 /nfs/dbraw/zinc/99/64/68/431996468.db2.gz OTAMMWBBKKSOQL-UHFFFAOYSA-N 0 0 323.308 3.115 10 5 DGBERN Cc1sc(C(=O)N2CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000183754319 432322481 /nfs/dbraw/zinc/32/24/81/432322481.db2.gz FIDGJYYJTZJLPG-UHFFFAOYSA-N 0 0 306.318 3.307 10 5 DGBERN CCC1(CC)CN([C@H](C)c2cccc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000249031183 432334275 /nfs/dbraw/zinc/33/42/75/432334275.db2.gz SODIKGVFIGFHSP-DMZKTXOQSA-N 0 0 324.446 3.279 10 5 DGBERN O=[N+]([O-])c1ccc(CNc2cccc3c2OCC[C@H]3O)cc1 ZINC000184060818 432351194 /nfs/dbraw/zinc/35/11/94/432351194.db2.gz WPGLXWJFYAHWQQ-OAHLLOKOSA-N 0 0 300.314 3.023 10 5 DGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1Cc2ccccc2C2(CC2)C1 ZINC000184682287 432421318 /nfs/dbraw/zinc/42/13/18/432421318.db2.gz MEBIHTGAMKRZMA-UHFFFAOYSA-N 0 0 322.364 3.211 10 5 DGBERN CC[C@@H](NC(=O)NCc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000175900855 432476186 /nfs/dbraw/zinc/47/61/86/432476186.db2.gz SJOXYSLTDLDSHS-GFCCVEGCSA-N 0 0 320.374 3.002 10 5 DGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000262308292 432482061 /nfs/dbraw/zinc/48/20/61/432482061.db2.gz PMFARUGTHADSNC-STQMWFEESA-N 0 0 306.362 3.233 10 5 DGBERN CCc1noc(C)c1NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000155534383 432558650 /nfs/dbraw/zinc/55/86/50/432558650.db2.gz UYFABWOXTAORLQ-UHFFFAOYSA-N 0 0 304.306 3.406 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCCCOC(C)C ZINC000185767073 432532637 /nfs/dbraw/zinc/53/26/37/432532637.db2.gz MJOZQAIKHHFCBX-WYMLVPIESA-N 0 0 320.389 3.320 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)[C@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000155217319 432544217 /nfs/dbraw/zinc/54/42/17/432544217.db2.gz UPIWXNKOYMLDSB-CHWSQXEVSA-N 0 0 320.389 3.143 10 5 DGBERN CC[C@@H](NC(=O)C(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000194384485 432546098 /nfs/dbraw/zinc/54/60/98/432546098.db2.gz PBPCVHIDVHVXLD-OAHLLOKOSA-N 0 0 312.325 3.045 10 5 DGBERN Cc1ccccc1CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195137020 432607348 /nfs/dbraw/zinc/60/73/48/432607348.db2.gz YUYVLISEPAXCFL-UHFFFAOYSA-N 0 0 323.352 3.357 10 5 DGBERN CC[C@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000155692745 432568457 /nfs/dbraw/zinc/56/84/57/432568457.db2.gz YLDQUJLHFRVVKY-ZDUSSCGKSA-N 0 0 306.362 3.398 10 5 DGBERN Nc1c(C(=O)Nc2ccc3cc[nH]c3c2)cc(F)cc1[N+](=O)[O-] ZINC000194806831 432578462 /nfs/dbraw/zinc/57/84/62/432578462.db2.gz FTGHOFXGVJZVLV-UHFFFAOYSA-N 0 0 314.276 3.050 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000194893281 432584514 /nfs/dbraw/zinc/58/45/14/432584514.db2.gz GIOPIBKSFOKUQM-JTQLQIEISA-N 0 0 316.279 3.318 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CCCCO1 ZINC000273331860 432586232 /nfs/dbraw/zinc/58/62/32/432586232.db2.gz SMVFXSMKIQAYIX-SICOMBFOSA-N 0 0 318.373 3.026 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1F ZINC000195028638 432594744 /nfs/dbraw/zinc/59/47/44/432594744.db2.gz DTRMIZMGOQABTL-UHFFFAOYSA-N 0 0 309.684 3.343 10 5 DGBERN Cc1n[nH]c2cc(NC(=O)c3c(C)cccc3[N+](=O)[O-])ccc12 ZINC000195060135 432598134 /nfs/dbraw/zinc/59/81/34/432598134.db2.gz WAAZKQPSBLNWGC-UHFFFAOYSA-N 0 0 310.313 3.340 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(F)cc(Cl)c1 ZINC000158445880 432645888 /nfs/dbraw/zinc/64/58/88/432645888.db2.gz DPXVRUAENFKFOU-UHFFFAOYSA-N 0 0 309.684 3.343 10 5 DGBERN CC[C@H](NC(=O)c1cnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000177783264 432660419 /nfs/dbraw/zinc/66/04/19/432660419.db2.gz CMLMTOARNXSXQB-LBPRGKRZSA-N 0 0 305.359 3.241 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CC=C(c2ccccc2F)CC1 ZINC000159745305 432694041 /nfs/dbraw/zinc/69/40/41/432694041.db2.gz WWTMLYPFSZMXCD-UHFFFAOYSA-N 0 0 316.288 3.256 10 5 DGBERN O=c1cc(C2CC2)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000188130401 432708288 /nfs/dbraw/zinc/70/82/88/432708288.db2.gz QILCZEOMCLREMS-UHFFFAOYSA-N 0 0 303.343 3.260 10 5 DGBERN O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000227374749 432711269 /nfs/dbraw/zinc/71/12/69/432711269.db2.gz NYROURJVHZPJCH-XHDPSFHLSA-N 0 0 310.781 3.380 10 5 DGBERN CSCCOc1c(C)cc(Br)cc1[N+](=O)[O-] ZINC000222832210 432673069 /nfs/dbraw/zinc/67/30/69/432673069.db2.gz OQYCYLJAZBYRME-UHFFFAOYSA-N 0 0 306.181 3.408 10 5 DGBERN CO[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[C@@H]1C ZINC000275965793 432763422 /nfs/dbraw/zinc/76/34/22/432763422.db2.gz GTYIFXZVBHUDCJ-NHYWBVRUSA-N 0 0 301.346 3.004 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC(C)(C)O1 ZINC000189386073 432782501 /nfs/dbraw/zinc/78/25/01/432782501.db2.gz GBSXLBIYDCWLSU-GFCCVEGCSA-N 0 0 321.377 3.291 10 5 DGBERN CCC[C@H](N[C@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)OCC ZINC000178671972 432764525 /nfs/dbraw/zinc/76/45/25/432764525.db2.gz HUMRTKWAQXPCGI-CABCVRRESA-N 0 0 308.378 3.367 10 5 DGBERN Cc1c(NC(=O)NCCCc2ccccn2)cccc1[N+](=O)[O-] ZINC000178902440 432786233 /nfs/dbraw/zinc/78/62/33/432786233.db2.gz MDDBUQFMAQKJCQ-UHFFFAOYSA-N 0 0 314.345 3.053 10 5 DGBERN Cc1cccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000161645457 432790244 /nfs/dbraw/zinc/79/02/44/432790244.db2.gz IUTVOAAKDJLZST-UHFFFAOYSA-N 0 0 309.325 3.315 10 5 DGBERN COc1cnccc1[C@@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000189555244 432799569 /nfs/dbraw/zinc/79/95/69/432799569.db2.gz FZBAORZNIDEWAX-GFCCVEGCSA-N 0 0 301.346 3.158 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000189608814 432803609 /nfs/dbraw/zinc/80/36/09/432803609.db2.gz JBOGPXBDQCQNPI-ZDUSSCGKSA-N 0 0 320.389 3.207 10 5 DGBERN CC[C@H](NC(=O)[C@@H]1CCC(=O)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245927179 432870489 /nfs/dbraw/zinc/87/04/89/432870489.db2.gz XRXLAOPYLINELK-LYRGGWFBSA-N 0 0 318.373 3.167 10 5 DGBERN CC(C)(NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(F)(F)F ZINC000297658243 433004343 /nfs/dbraw/zinc/00/43/43/433004343.db2.gz CHEOGCOHHIXGND-UHFFFAOYSA-N 0 0 310.659 3.319 10 5 DGBERN CCOc1cc(CNc2ccc([N+](=O)[O-])c(OC)c2)ccn1 ZINC000301328341 433510758 /nfs/dbraw/zinc/51/07/58/433510758.db2.gz AFVDOWSRZYQXAE-UHFFFAOYSA-N 0 0 303.318 3.009 10 5 DGBERN CC[S@](=O)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000301577877 433617705 /nfs/dbraw/zinc/61/77/05/433617705.db2.gz TXDPZLSWXVOUKY-YLGBZRSBSA-N 0 0 310.419 3.395 10 5 DGBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nn1 ZINC000301687888 433678666 /nfs/dbraw/zinc/67/86/66/433678666.db2.gz XLOKCTSKMIRCSF-GFCCVEGCSA-N 0 0 309.329 3.349 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC2(C1)CCCC2 ZINC000366676005 292975857 /nfs/dbraw/zinc/97/58/57/292975857.db2.gz DCPKBWMSTDEDSI-JLHYYAGUSA-N 0 0 300.358 3.401 10 5 DGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC12CCC2 ZINC000370621866 293179573 /nfs/dbraw/zinc/17/95/73/293179573.db2.gz ISNBHTNGBGWGRT-UHFFFAOYSA-N 0 0 305.334 3.154 10 5 DGBERN O=[N+]([O-])c1cc(Cl)ccc1N(CCO)Cc1ccsc1 ZINC000301849453 433756631 /nfs/dbraw/zinc/75/66/31/433756631.db2.gz 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ZINC000302866477 433889040 /nfs/dbraw/zinc/88/90/40/433889040.db2.gz YTVUIQJRLPNVFD-UHFFFAOYSA-N 0 0 315.260 3.478 10 5 DGBERN CCN(Cc1ccc(OC)c(OC)c1)c1ccc([N+](=O)[O-])nc1 ZINC000357416846 434001173 /nfs/dbraw/zinc/00/11/73/434001173.db2.gz HJJFCPHDUJOSLF-UHFFFAOYSA-N 0 0 317.345 3.034 10 5 DGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@H]1C ZINC000505782706 294253960 /nfs/dbraw/zinc/25/39/60/294253960.db2.gz OBHVEYWZZWOGCQ-GHMZBOCLSA-N 0 0 308.403 3.483 10 5 DGBERN O=[N+]([O-])c1ccc(NC[C@@H](CO)C2CC2)c(C(F)(F)F)c1 ZINC000357776079 434172730 /nfs/dbraw/zinc/17/27/30/434172730.db2.gz RZEVCRUBFNJMFD-VIFPVBQESA-N 0 0 304.268 3.044 10 5 DGBERN CO[C@@H]1CC[C@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000450470523 434206941 /nfs/dbraw/zinc/20/69/41/434206941.db2.gz ANRMXJFCBNEVNI-WCQYABFASA-N 0 0 319.386 3.698 10 5 DGBERN CC1(C)OCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000328209798 434284804 /nfs/dbraw/zinc/28/48/04/434284804.db2.gz JSUWRAMNDPILAI-NSHDSACASA-N 0 0 315.167 3.337 10 5 DGBERN Cc1cc(NCc2ccn(C)n2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360047999 434490599 /nfs/dbraw/zinc/49/05/99/434490599.db2.gz PFYGDZCDRBONIL-UHFFFAOYSA-N 0 0 314.267 3.268 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000408039077 434536935 /nfs/dbraw/zinc/53/69/35/434536935.db2.gz RYGIUAJCACOJQR-BFHYXJOUSA-N 0 0 317.389 3.387 10 5 DGBERN COc1cc(N2CCC3(CCOCC3)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000408198519 434549952 /nfs/dbraw/zinc/54/99/52/434549952.db2.gz NBUKUHOZFQACEQ-LLVKDONJSA-N 0 0 324.352 3.138 10 5 DGBERN COc1cc(N2CCC[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000408299364 434561973 /nfs/dbraw/zinc/56/19/73/434561973.db2.gz CLPDDERIXBANCA-MRXNPFEDSA-N 0 0 306.362 3.000 10 5 DGBERN CC[C@H](CNc1ccc([N+](=O)[O-])nc1)Oc1cccc(F)c1 ZINC000440194395 434684946 /nfs/dbraw/zinc/68/49/46/434684946.db2.gz YSLWFMRBHBPTJL-CYBMUJFWSA-N 0 0 305.309 3.398 10 5 DGBERN CNc1c(C(=O)N(C)C[C@H]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000360925975 434734056 /nfs/dbraw/zinc/73/40/56/434734056.db2.gz RTRGBWSFXPYTAF-LBPRGKRZSA-N 0 0 303.362 3.065 10 5 DGBERN Cc1nc([N+](=O)[O-])c(-c2noc(-c3csc(C)c3C)n2)n1C ZINC000445616512 434817121 /nfs/dbraw/zinc/81/71/21/434817121.db2.gz RXGDGJARWFMEOK-UHFFFAOYSA-N 0 0 319.346 3.032 10 5 DGBERN C/C(=C/c1ccccc1)CN(C)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000491812049 434865742 /nfs/dbraw/zinc/86/57/42/434865742.db2.gz KVSHBBXTPQVVEV-RAXLEYEMSA-N 0 0 323.356 3.177 10 5 DGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC12CCC2 ZINC000463002587 434938585 /nfs/dbraw/zinc/93/85/85/434938585.db2.gz RBGKCIBTCNPRBQ-AWEZNQCLSA-N 0 0 302.374 3.319 10 5 DGBERN COC(=O)c1cc(C(F)(F)F)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575379963 435032116 /nfs/dbraw/zinc/03/21/16/435032116.db2.gz PQBUFMXIQHDGJS-UHFFFAOYSA-N 0 0 317.141 3.419 10 5 DGBERN CCOc1cc(OC(F)F)c(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000575655990 435039934 /nfs/dbraw/zinc/03/99/34/435039934.db2.gz DGLQJIFBPNLYER-UHFFFAOYSA-N 0 0 317.166 3.494 10 5 DGBERN COc1cc(OC(F)(F)F)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575666347 435041043 /nfs/dbraw/zinc/04/10/43/435041043.db2.gz IHJVRRSMAHVAEQ-UHFFFAOYSA-N 0 0 303.139 3.103 10 5 DGBERN CC(=O)c1c(Br)cc([N+](=O)[O-])cc1OC(F)F ZINC000575684934 435043846 /nfs/dbraw/zinc/04/38/46/435043846.db2.gz XVIVXURMFXVCBC-UHFFFAOYSA-N 0 0 310.050 3.161 10 5 DGBERN CC(=O)c1c(Br)ccc([N+](=O)[O-])c1OC(F)F ZINC000575682787 435044413 /nfs/dbraw/zinc/04/44/13/435044413.db2.gz BXLBSBAVTHUZKQ-UHFFFAOYSA-N 0 0 310.050 3.161 10 5 DGBERN CCOC(=O)Cc1cc(Cl)c([N+](=O)[O-])cc1Br ZINC000575699553 435046944 /nfs/dbraw/zinc/04/69/44/435046944.db2.gz HNXDNGDTEOYATG-UHFFFAOYSA-N 0 0 322.542 3.116 10 5 DGBERN CCOC(=O)c1cc(CC)c(Br)cc1[N+](=O)[O-] ZINC000575699416 435047079 /nfs/dbraw/zinc/04/70/79/435047079.db2.gz LTTMUDLSRXOYML-UHFFFAOYSA-N 0 0 302.124 3.096 10 5 DGBERN O=[N+]([O-])c1ccc(Nc2ccc(OC[C@H]3CCCO3)cc2)cn1 ZINC000572798117 435868244 /nfs/dbraw/zinc/86/82/44/435868244.db2.gz SEWUQMSHZAVCMQ-OAHLLOKOSA-N 0 0 315.329 3.291 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000408172152 301203159 /nfs/dbraw/zinc/20/31/59/301203159.db2.gz SIZWJNHGQOUOSB-SNVBAGLBSA-N 0 0 303.284 3.385 10 5 DGBERN NC(=O)c1ccc(N2CCC[C@]3(CC=CCC3)C2)c([N+](=O)[O-])c1 ZINC000114451409 303344458 /nfs/dbraw/zinc/34/44/58/303344458.db2.gz ZGXIAHAFOOGHLZ-QGZVFWFLSA-N 0 0 315.373 3.020 10 5 DGBERN CC(C)N(CCc1nccs1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000132775747 312650851 /nfs/dbraw/zinc/65/08/51/312650851.db2.gz INWGSCVHPJYHDI-UHFFFAOYSA-N 0 0 319.386 3.145 10 5 DGBERN CN(C[C@H]1CC=CCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000543192564 314119854 /nfs/dbraw/zinc/11/98/54/314119854.db2.gz RWEXJDITTUWCFP-AWEZNQCLSA-N 0 0 303.362 3.093 10 5 DGBERN CNc1ccc(C(=O)N(C)C[C@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000543355160 314128655 /nfs/dbraw/zinc/12/86/55/314128655.db2.gz CVDTUBLFXVICQR-LBPRGKRZSA-N 0 0 303.362 3.065 10 5 DGBERN CNc1ccc(-c2nc(-c3ncccc3C)no2)cc1[N+](=O)[O-] ZINC000545609765 314259977 /nfs/dbraw/zinc/25/99/77/314259977.db2.gz ASLKAJUDPVARNX-UHFFFAOYSA-N 0 0 311.301 3.057 10 5 DGBERN 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Cc1cc(C)cc(OS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000064240852 659878128 /nfs/dbraw/zinc/87/81/28/659878128.db2.gz NLORJTGTZRIHEE-UHFFFAOYSA-N 0 0 313.356 3.041 10 5 DGBERN CC(C)Oc1cccnc1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000175698022 659927527 /nfs/dbraw/zinc/92/75/27/659927527.db2.gz QXDHFEKNKOTGGY-UHFFFAOYSA-N 0 0 316.313 3.134 10 5 DGBERN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000047176389 661872824 /nfs/dbraw/zinc/87/28/24/661872824.db2.gz UTBWFLUZEPEADG-JTQLQIEISA-N 0 0 316.269 3.421 10 5 DGBERN CN(Cc1ccc(Cl)nc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000077459267 662027782 /nfs/dbraw/zinc/02/77/82/662027782.db2.gz XGRMWPLAUKMBOY-UHFFFAOYSA-N 0 0 323.711 3.055 10 5 DGBERN Cc1cccc(C(=O)OCCOC2CCCCC2)c1[N+](=O)[O-] ZINC000194223467 662160918 /nfs/dbraw/zinc/16/09/18/662160918.db2.gz ZLPAFNUDWBMBDI-UHFFFAOYSA-N 0 0 307.346 3.409 10 5 DGBERN O=[N+]([O-])c1cc(Br)ccc1CNCc1ccncc1 ZINC000162121869 1176613027 /nfs/dbraw/zinc/61/30/27/1176613027.db2.gz 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/nfs/dbraw/zinc/91/76/78/1203917678.db2.gz XYNXOXDQAGQPLA-LBPRGKRZSA-N 0 0 318.398 3.288 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCCOCC(C)C ZINC000588591466 1082827586 /nfs/dbraw/zinc/82/75/86/1082827586.db2.gz YPNIOBHXACZTBZ-RAXLEYEMSA-N 0 0 307.346 3.214 10 5 DGBERN C[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1ccncc1 ZINC000612447036 1082951966 /nfs/dbraw/zinc/95/19/66/1082951966.db2.gz SXGIGFXXKJMDAA-NSHDSACASA-N 0 0 309.329 3.149 10 5 DGBERN COc1cc(COc2cc(F)c([N+](=O)[O-])cc2Cl)sn1 ZINC000401066555 1093934625 /nfs/dbraw/zinc/93/46/25/1093934625.db2.gz HOSSXGDGXOBOJC-UHFFFAOYSA-N 0 0 318.713 3.431 10 5 DGBERN CC(=O)c1cc(N(C)CCc2ncc(C)s2)ccc1[N+](=O)[O-] ZINC000286590085 219069984 /nfs/dbraw/zinc/06/99/84/219069984.db2.gz TZBBKHDLUJKLCF-UHFFFAOYSA-N 0 0 319.386 3.241 10 5 DGBERN CC[C@H](NC(=O)N[C@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000090584745 185305245 /nfs/dbraw/zinc/30/52/45/185305245.db2.gz OTSJJOREMAUOFD-ZFWWWQNUSA-N 0 0 303.362 3.454 10 5 DGBERN CC[C@H](NC(=O)N(C)CCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090686421 185309662 /nfs/dbraw/zinc/30/96/62/185309662.db2.gz WBDIUNQEWHNMJJ-HNNXBMFYSA-N 0 0 305.378 3.487 10 5 DGBERN CC[C@H](NCc1noc(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000181527328 199312047 /nfs/dbraw/zinc/31/20/47/199312047.db2.gz NBYMWEGDGLVXCB-ZDUSSCGKSA-N 0 0 302.334 3.096 10 5 DGBERN CCCc1nc(CN[C@@H](CC)c2cccc([N+](=O)[O-])c2)no1 ZINC000181537835 199313511 /nfs/dbraw/zinc/31/35/11/199313511.db2.gz KBFIZXCDFXFZIH-ZDUSSCGKSA-N 0 0 304.350 3.171 10 5 DGBERN CN1CCc2ccc(Nc3ncc([N+](=O)[O-])cc3Cl)cc21 ZINC000301979260 529813758 /nfs/dbraw/zinc/81/37/58/529813758.db2.gz AJQRCUCLUGXANY-UHFFFAOYSA-N 0 0 304.737 3.379 10 5 DGBERN CCS[C@H]1CC[C@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000230922329 201884085 /nfs/dbraw/zinc/88/40/85/201884085.db2.gz KFIAZKKGGSFHKL-IUCAKERBSA-N 0 0 312.420 3.390 10 5 DGBERN O=[N+]([O-])c1cnccc1NCc1cc(Br)cs1 ZINC000066809469 432021799 /nfs/dbraw/zinc/02/17/99/432021799.db2.gz UIYAUZISXRYIEG-UHFFFAOYSA-N 0 0 314.164 3.426 10 5 DGBERN C[C@@H](CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[S@](C)=O ZINC000130400201 432024129 /nfs/dbraw/zinc/02/41/29/432024129.db2.gz JAICGZUDXHSXAV-HXNGOWOSSA-N 0 0 324.324 3.183 10 5 DGBERN COC(=O)c1cnc(N[C@@H](C)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000302749994 186740072 /nfs/dbraw/zinc/74/00/72/186740072.db2.gz GVOJYAOGODMTGV-NSHDSACASA-N 0 0 315.329 3.258 10 5 DGBERN C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000172102337 198040056 /nfs/dbraw/zinc/04/00/56/198040056.db2.gz INFDRVCMBIJXEY-LBPRGKRZSA-N 0 0 306.362 3.059 10 5 DGBERN Cc1cc(C)cc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000107168358 432028679 /nfs/dbraw/zinc/02/86/79/432028679.db2.gz JWZHMDBTAKIQDL-LBPRGKRZSA-N 0 0 313.357 3.406 10 5 DGBERN CC(=O)Oc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000005542890 181255412 /nfs/dbraw/zinc/25/54/12/181255412.db2.gz VMZVGEFCFUIKFB-UHFFFAOYSA-N 0 0 314.297 3.081 10 5 DGBERN CC(C)[C@H](C)CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000179530208 432061481 /nfs/dbraw/zinc/06/14/81/432061481.db2.gz HZFYSIJZWVBRNT-LLVKDONJSA-N 0 0 303.362 3.027 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)c2cccs2)n1 ZINC000166678350 432061623 /nfs/dbraw/zinc/06/16/23/432061623.db2.gz JLCVTZYELFQKLG-MRVPVSSYSA-N 0 0 307.331 3.011 10 5 DGBERN CCc1nn(C)c(N2CC=C(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000179562253 432063287 /nfs/dbraw/zinc/06/32/87/432063287.db2.gz ZCUSNGKWNXQNGR-UHFFFAOYSA-N 0 0 312.373 3.184 10 5 DGBERN CCn1c(C)cc(C(=O)COc2ccc([N+](=O)[O-])cc2)c1C ZINC000005863990 181290900 /nfs/dbraw/zinc/29/09/00/181290900.db2.gz UEXMXHTVXZHTHU-UHFFFAOYSA-N 0 0 302.330 3.295 10 5 DGBERN CC(C)[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000179767327 432070026 /nfs/dbraw/zinc/07/00/26/432070026.db2.gz SDZJXEIPMCAXMI-LLVKDONJSA-N 0 0 301.346 3.165 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCO[C@@H]1CC(C)C ZINC000184764614 199761951 /nfs/dbraw/zinc/76/19/51/199761951.db2.gz SVLVZDBNHSOPOJ-HZPDHXFCSA-N 0 0 320.389 3.227 10 5 DGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCC1CCCC1 ZINC000179441324 199036617 /nfs/dbraw/zinc/03/66/17/199036617.db2.gz DQEIOPOXTJJYGF-UHFFFAOYSA-N 0 0 315.373 3.315 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC2(CCCCC2)CC1 ZINC000170660016 432075165 /nfs/dbraw/zinc/07/51/65/432075165.db2.gz SLPIMAIXAZMGPE-UHFFFAOYSA-N 0 0 317.389 3.485 10 5 DGBERN CC1(C)SC[C@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000276516225 212931292 /nfs/dbraw/zinc/93/12/92/212931292.db2.gz UIAJNILXZNPESB-MRVPVSSYSA-N 0 0 318.196 3.058 10 5 DGBERN Cc1nc([C@@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000186995429 200045643 /nfs/dbraw/zinc/04/56/43/200045643.db2.gz ZQCDRGZRHYLZJM-AWEZNQCLSA-N 0 0 317.370 3.337 10 5 DGBERN COc1ccc([C@H](C)Nc2ncc([N+](=O)[O-])s2)cc1OC ZINC000189683572 200437644 /nfs/dbraw/zinc/43/76/44/200437644.db2.gz WEOKQCNVHXVNSE-QMMMGPOBSA-N 0 0 309.347 3.242 10 5 DGBERN CCc1ccc([C@H](C)NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000180597240 432091589 /nfs/dbraw/zinc/09/15/89/432091589.db2.gz CRJKJJXLYQDHEC-NSHDSACASA-N 0 0 313.357 3.230 10 5 DGBERN CCn1c(C)cc(C(=O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000006060792 181309482 /nfs/dbraw/zinc/30/94/82/181309482.db2.gz NSYIQBZYMULZCN-UHFFFAOYSA-N 0 0 302.330 3.295 10 5 DGBERN O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000435734351 238342105 /nfs/dbraw/zinc/34/21/05/238342105.db2.gz FLRYUIMDOMQMFK-JKSUJKDBSA-N 0 0 321.336 3.362 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1C[C@H]1c1ccccc1 ZINC000192587581 200906779 /nfs/dbraw/zinc/90/67/79/200906779.db2.gz IHHPTVODOQPBJE-KGLIPLIRSA-N 0 0 300.362 3.335 10 5 DGBERN C[C@@H](COCc1ccccc1)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000193457722 201056005 /nfs/dbraw/zinc/05/60/05/201056005.db2.gz QNEYLGCJZIHTBT-LBPRGKRZSA-N 0 0 301.346 3.194 10 5 DGBERN O=[N+]([O-])c1ccc(Cl)c(NC(=S)NCc2ccco2)c1 ZINC000006330830 181330296 /nfs/dbraw/zinc/33/02/96/181330296.db2.gz FQJFEVMBLMDISW-UHFFFAOYSA-N 0 0 311.750 3.328 10 5 DGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000480548578 291272718 /nfs/dbraw/zinc/27/27/18/291272718.db2.gz DQLICXYGLWEVEL-XPUUQOCRSA-N 0 0 309.675 3.420 10 5 DGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H]1CCOc2ccccc21 ZINC000069295161 283717332 /nfs/dbraw/zinc/71/73/32/283717332.db2.gz NHFVLKTZIKJUIS-JCVNQNCUSA-N 0 0 324.336 3.248 10 5 DGBERN C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000135123299 432100189 /nfs/dbraw/zinc/10/01/89/432100189.db2.gz BSJHEKPJNUHXRK-SNVBAGLBSA-N 0 0 316.361 3.106 10 5 DGBERN CC[C@@H](NC(=O)c1ccc(C)c(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000180846087 432101609 /nfs/dbraw/zinc/10/16/09/432101609.db2.gz YTDUJIRNQXQRTK-OAHLLOKOSA-N 0 0 314.341 3.490 10 5 DGBERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000117587944 291321273 /nfs/dbraw/zinc/32/12/73/291321273.db2.gz QTXLAKONZVQVQG-GTNSWQLSSA-N 0 0 324.336 3.049 10 5 DGBERN Cc1sc(C(=O)Nc2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000074352841 283796252 /nfs/dbraw/zinc/79/62/52/283796252.db2.gz JWULUOZBHPOYCH-UHFFFAOYSA-N 0 0 304.327 3.152 10 5 DGBERN Cc1n[nH]c2cc(NC(=O)c3cccc(C)c3[N+](=O)[O-])ccc12 ZINC000091825062 193113097 /nfs/dbraw/zinc/11/30/97/193113097.db2.gz OUUDFJZBAOYZIK-UHFFFAOYSA-N 0 0 310.313 3.340 10 5 DGBERN Cc1cnc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000451547616 241169568 /nfs/dbraw/zinc/16/95/68/241169568.db2.gz LERKPUWHRDWOMR-OAHLLOKOSA-N 0 0 312.373 3.073 10 5 DGBERN COc1ccc(NC(=O)c2scnc2C2CC2)c([N+](=O)[O-])c1 ZINC000089738762 283960727 /nfs/dbraw/zinc/96/07/27/283960727.db2.gz AURAYTRPHZQKPC-UHFFFAOYSA-N 0 0 319.342 3.190 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(F)cc1F ZINC000103376603 284028812 /nfs/dbraw/zinc/02/88/12/284028812.db2.gz OPNHOXFOJFVEEP-VIFPVBQESA-N 0 0 318.279 3.464 10 5 DGBERN Cc1cccc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000103375238 284028920 /nfs/dbraw/zinc/02/89/20/284028920.db2.gz IQSLEOALPMCQAI-CYBMUJFWSA-N 0 0 310.353 3.424 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1cccc(F)c1 ZINC000103377859 284029104 /nfs/dbraw/zinc/02/91/04/284029104.db2.gz AOOZNSBKHLVXFU-LLVKDONJSA-N 0 0 314.316 3.254 10 5 DGBERN C[C@@H](Sc1nnc(C2CC2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000007172483 181443563 /nfs/dbraw/zinc/44/35/63/181443563.db2.gz ATNRGMQNYHTADN-SECBINFHSA-N 0 0 304.375 3.454 10 5 DGBERN Cc1cc(C)n(-c2ccccc2CNc2ccc([N+](=O)[O-])nc2)n1 ZINC000471743062 244239511 /nfs/dbraw/zinc/23/95/11/244239511.db2.gz ZSFBQBCPGAHODH-UHFFFAOYSA-N 0 0 323.356 3.404 10 5 DGBERN CSCCCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000125983421 284289838 /nfs/dbraw/zinc/28/98/38/284289838.db2.gz UZHMVNQIPGVTMZ-UHFFFAOYSA-N 0 0 302.783 3.121 10 5 DGBERN CCc1[nH]nc(C(=O)Nc2cccc(C(C)(F)F)c2)c1[N+](=O)[O-] ZINC000190183268 432129608 /nfs/dbraw/zinc/12/96/08/432129608.db2.gz QGLULPOOEGFACD-UHFFFAOYSA-N 0 0 324.287 3.244 10 5 DGBERN CC(C)n1nccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129971470 284428429 /nfs/dbraw/zinc/42/84/29/284428429.db2.gz GHKWFZHAOODFQC-UHFFFAOYSA-N 0 0 313.317 3.106 10 5 DGBERN Cc1ccc(CNC(=O)Cn2ccc3ccc([N+](=O)[O-])cc32)cc1 ZINC000020762151 182246548 /nfs/dbraw/zinc/24/65/48/182246548.db2.gz HTWGUDBTBYTVFH-UHFFFAOYSA-N 0 0 323.352 3.174 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCCC[C@@H]1c1nccs1 ZINC000115365835 296227717 /nfs/dbraw/zinc/22/77/17/296227717.db2.gz NVVHPSSPQUZSNO-SECBINFHSA-N 0 0 323.399 3.480 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000151673123 284575229 /nfs/dbraw/zinc/57/52/29/284575229.db2.gz QTTWWJSJJUQIRT-UHFFFAOYSA-N 0 0 316.361 3.467 10 5 DGBERN CN(Cc1nc2c(s1)CCCC2)c1ncc([N+](=O)[O-])s1 ZINC000190332781 432145406 /nfs/dbraw/zinc/14/54/06/432145406.db2.gz LDPKPGBEPMWCTB-UHFFFAOYSA-N 0 0 310.404 3.023 10 5 DGBERN CCOc1ccc(Nc2ncnc(NC(C)C)c2[N+](=O)[O-])cc1 ZINC000040597555 183107577 /nfs/dbraw/zinc/10/75/77/183107577.db2.gz CDDCVPMUCVBWQO-UHFFFAOYSA-N 0 0 317.349 3.347 10 5 DGBERN Cc1ccc2c(cccc2Nc2ncnc(N(C)C)c2[N+](=O)[O-])n1 ZINC000040608658 183108677 /nfs/dbraw/zinc/10/86/77/183108677.db2.gz PYKLADFXFRMMRB-UHFFFAOYSA-N 0 0 324.344 3.051 10 5 DGBERN CCN(CC)c1ncnc(NCc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000040608095 183108991 /nfs/dbraw/zinc/10/89/91/183108991.db2.gz OTOVLDOLTOOOQL-UHFFFAOYSA-N 0 0 315.377 3.152 10 5 DGBERN CCOc1ncnc(Oc2cccc3cccnc32)c1[N+](=O)[O-] ZINC000040618507 183109841 /nfs/dbraw/zinc/10/98/41/183109841.db2.gz LGPGUNYIGKZYLQ-UHFFFAOYSA-N 0 0 312.285 3.124 10 5 DGBERN CC(=O)c1sc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)nc1C ZINC000040882770 183146222 /nfs/dbraw/zinc/14/62/22/183146222.db2.gz MDDRTKFBISNRHD-UHFFFAOYSA-N 0 0 319.342 3.123 10 5 DGBERN O=[N+]([O-])c1cc(CN[C@H]2COc3ccccc32)ccc1Cl ZINC000105468608 194106432 /nfs/dbraw/zinc/10/64/32/194106432.db2.gz RYGGYJZAMAOSFM-ZDUSSCGKSA-N 0 0 304.733 3.472 10 5 DGBERN Cc1ccc(OCc2nc(-c3ccoc3)no2)c([N+](=O)[O-])c1 ZINC000105572647 194112117 /nfs/dbraw/zinc/11/21/17/194112117.db2.gz XFDSNLFEPRRQBE-UHFFFAOYSA-N 0 0 301.258 3.125 10 5 DGBERN Cc1c(NCc2nc(-c3ccoc3)no2)cccc1[N+](=O)[O-] ZINC000105606252 194113609 /nfs/dbraw/zinc/11/36/09/194113609.db2.gz YNBZEBYBUSEVCN-UHFFFAOYSA-N 0 0 300.274 3.158 10 5 DGBERN Cc1ccc(CN(C)C(=O)Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000159443990 197353986 /nfs/dbraw/zinc/35/39/86/197353986.db2.gz KOVKFDDPUXUMGI-UHFFFAOYSA-N 0 0 302.330 3.006 10 5 DGBERN Cc1cnn([C@H]2CCCN(Cc3c(F)cccc3[N+](=O)[O-])C2)c1 ZINC000105901896 194166924 /nfs/dbraw/zinc/16/69/24/194166924.db2.gz XMNQYVIITZZYIM-ZDUSSCGKSA-N 0 0 318.352 3.076 10 5 DGBERN C[C@@H]1CCCCCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000408026036 296303945 /nfs/dbraw/zinc/30/39/45/296303945.db2.gz VPYFEJJBGNKFJJ-LLVKDONJSA-N 0 0 301.346 3.481 10 5 DGBERN Cc1sc(C(=O)NC[C@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000110455604 194331090 /nfs/dbraw/zinc/33/10/90/194331090.db2.gz TWRKCZNENUSKDN-OLZOCXBDSA-N 0 0 316.382 3.498 10 5 DGBERN Nc1ccc(Sc2c3ccccc3oc(=O)c2[N+](=O)[O-])cc1 ZINC000057341273 184033883 /nfs/dbraw/zinc/03/38/83/184033883.db2.gz PMLFZWSBKDFVPW-UHFFFAOYSA-N 0 0 314.322 3.435 10 5 DGBERN Cc1nc(-c2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)no1 ZINC000064330080 184294418 /nfs/dbraw/zinc/29/44/18/184294418.db2.gz HKFZSQWJJUWUHN-UHFFFAOYSA-N 0 0 324.296 3.206 10 5 DGBERN Cc1nn(C)c(N[C@@H]2CCCOc3ccc(F)cc32)c1[N+](=O)[O-] ZINC000064916418 184306301 /nfs/dbraw/zinc/30/63/01/184306301.db2.gz ROHAXIOLRGNBTE-GFCCVEGCSA-N 0 0 320.324 3.102 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1CC(C)C ZINC000162936280 292860969 /nfs/dbraw/zinc/86/09/69/292860969.db2.gz OTIYQAPNPCJAMI-ZDUSSCGKSA-N 0 0 305.378 3.339 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2N)cc1F ZINC000088352710 252608594 /nfs/dbraw/zinc/60/85/94/252608594.db2.gz NZMZRHBPWHOBNC-JTQLQIEISA-N 0 0 317.320 3.116 10 5 DGBERN O=C(NCc1cccc(F)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000119859024 195049942 /nfs/dbraw/zinc/04/99/42/195049942.db2.gz GJZIIDIUYQYXRB-UHFFFAOYSA-N 0 0 313.288 3.145 10 5 DGBERN CO[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[C@H]1C ZINC000251985779 285100762 /nfs/dbraw/zinc/10/07/62/285100762.db2.gz VRECYKDYMWPNBZ-CXAGYDPISA-N 0 0 322.405 3.239 10 5 DGBERN O=[N+]([O-])c1ccc2c(c1)C(F)(F)O[C@@](F)(C(F)(F)F)O2 ZINC000091252479 285142067 /nfs/dbraw/zinc/14/20/67/285142067.db2.gz IEXPAKCUULBXMM-SECBINFHSA-N 0 0 303.114 3.239 10 5 DGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC=C(c2ccccc2)CC1 ZINC000152121451 196774741 /nfs/dbraw/zinc/77/47/41/196774741.db2.gz RCRFETBDAFYMFD-UHFFFAOYSA-N 0 0 322.364 3.453 10 5 DGBERN CC(C)(C)[C@H](O)COc1c(Br)cccc1[N+](=O)[O-] ZINC000289952521 221337151 /nfs/dbraw/zinc/33/71/51/221337151.db2.gz BGYDIVUCMQNRTR-SNVBAGLBSA-N 0 0 318.167 3.143 10 5 DGBERN Cc1sc(C(=O)N2CCC[C@H]2c2cccn2C)cc1[N+](=O)[O-] ZINC000074351788 184975048 /nfs/dbraw/zinc/97/50/48/184975048.db2.gz VRIFZTSSLGUYTJ-LBPRGKRZSA-N 0 0 319.386 3.281 10 5 DGBERN CCc1noc(C)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000121110438 195295401 /nfs/dbraw/zinc/29/54/01/195295401.db2.gz ILMNEBDCGPFSPI-UHFFFAOYSA-N 0 0 323.736 3.288 10 5 DGBERN O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000227374758 296499400 /nfs/dbraw/zinc/49/94/00/296499400.db2.gz NYROURJVHZPJCH-NHYWBVRUSA-N 0 0 310.781 3.380 10 5 DGBERN COC(=O)c1cc(C)nc(Oc2cc(F)cc(F)c2)c1[N+](=O)[O-] ZINC000587630679 400173958 /nfs/dbraw/zinc/17/39/58/400173958.db2.gz YDNJSSCZKSLZIL-UHFFFAOYSA-N 0 0 324.239 3.155 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2)o1 ZINC000067536192 400179802 /nfs/dbraw/zinc/17/98/02/400179802.db2.gz HKDUFDPZVZNNTL-LLVKDONJSA-N 0 0 303.318 3.057 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CCCO3)c1 ZINC000610226685 400225266 /nfs/dbraw/zinc/22/52/66/400225266.db2.gz VHVQXZPANFCPEO-UHFFFAOYSA-N 0 0 312.325 3.481 10 5 DGBERN O=[N+]([O-])c1cc(Br)cc(F)c1OC(F)(F)F ZINC000396060223 400281935 /nfs/dbraw/zinc/28/19/35/400281935.db2.gz PXDGAGDTEBXWSB-UHFFFAOYSA-N 0 0 303.993 3.395 10 5 DGBERN C[C@@H](Sc1nnc(C(C)(C)C)n1N)c1cccc([N+](=O)[O-])c1 ZINC000028217671 400287142 /nfs/dbraw/zinc/28/71/42/400287142.db2.gz IFHPXIUGMVUYHA-SECBINFHSA-N 0 0 321.406 3.051 10 5 DGBERN CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(F)F ZINC000407226962 400300535 /nfs/dbraw/zinc/30/05/35/400300535.db2.gz RZMUENZNCJXKLT-UHFFFAOYSA-N 0 0 306.696 3.412 10 5 DGBERN O=[N+]([O-])c1ccc(NCC[C@H]2COc3ccccc3O2)s1 ZINC000610808825 400309097 /nfs/dbraw/zinc/30/90/97/400309097.db2.gz PMBXSMPXWAUPOS-JTQLQIEISA-N 0 0 306.343 3.298 10 5 DGBERN Cn1cc([C@@H]2CCCCN2c2ncc([N+](=O)[O-])cc2Cl)cn1 ZINC000589101311 400259168 /nfs/dbraw/zinc/25/91/68/400259168.db2.gz RAPHOCFIOXWLFL-ZDUSSCGKSA-N 0 0 321.768 3.108 10 5 DGBERN O=[N+]([O-])c1cc(Br)ccc1NCC[C@H]1CCCO1 ZINC000037987990 400394944 /nfs/dbraw/zinc/39/49/44/400394944.db2.gz SSHUIRIMPRIZNZ-SNVBAGLBSA-N 0 0 315.167 3.338 10 5 DGBERN COC(=O)c1ccc(Sc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000114637039 400389487 /nfs/dbraw/zinc/38/94/87/400389487.db2.gz TZQBNDOZRFMQSG-UHFFFAOYSA-N 0 0 305.311 3.238 10 5 DGBERN CC(=O)C(C)(C)CCC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000610949391 400326662 /nfs/dbraw/zinc/32/66/62/400326662.db2.gz BDJWKIBDGHNEAE-NSHDSACASA-N 0 0 306.362 3.167 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000110440927 400356624 /nfs/dbraw/zinc/35/66/24/400356624.db2.gz TWWYMWPEWFHXDH-RHSMWYFYSA-N 0 0 310.353 3.437 10 5 DGBERN C[C@H](CO)CNc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000611230666 400361860 /nfs/dbraw/zinc/36/18/60/400361860.db2.gz RSOQTQYDXWVXEK-LBPRGKRZSA-N 0 0 302.330 3.427 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(c3nccs3)CC2)n1 ZINC000611615941 400428915 /nfs/dbraw/zinc/42/89/15/400428915.db2.gz JMDCACAKWTVGFL-UHFFFAOYSA-N 0 0 318.402 3.447 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2ncccc21 ZINC000074192497 400496307 /nfs/dbraw/zinc/49/63/07/400496307.db2.gz ZRGAZFYWRLXEAN-UHFFFAOYSA-N 0 0 323.308 3.404 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)c1ccccc1F ZINC000045396936 400520599 /nfs/dbraw/zinc/52/05/99/400520599.db2.gz XRPDJFFQXOSVOM-LLVKDONJSA-N 0 0 317.320 3.271 10 5 DGBERN C[C@@H]1CCCN(c2ccc(C(=O)N(C)C3CC3)cc2[N+](=O)[O-])C1 ZINC000046061368 400547693 /nfs/dbraw/zinc/54/76/93/400547693.db2.gz RLVPTIPBZUIPQB-GFCCVEGCSA-N 0 0 317.389 3.066 10 5 DGBERN C[C@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C1CC1 ZINC000612532176 400559659 /nfs/dbraw/zinc/55/96/59/400559659.db2.gz HKNDRHLLCIMYFJ-MRVPVSSYSA-N 0 0 316.279 3.390 10 5 DGBERN COc1cc2c(Oc3ccc([N+](=O)[O-])cn3)cc[nH]c-2cc1=O ZINC000166360991 400754457 /nfs/dbraw/zinc/75/44/57/400754457.db2.gz GTDJSKPTTHDJQC-UHFFFAOYSA-N 0 0 313.269 3.045 10 5 DGBERN Cc1cc(NC(=O)[C@H]2C[C@H]2C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000161821580 400742960 /nfs/dbraw/zinc/74/29/60/400742960.db2.gz PNZNPJITLGJCBW-STQMWFEESA-N 0 0 311.341 3.436 10 5 DGBERN O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[C@@H]2O)c2ccncc21 ZINC000077208334 400695150 /nfs/dbraw/zinc/69/51/50/400695150.db2.gz AAYPZUIPEPJTKE-ZBEGNZNMSA-N 0 0 301.346 3.106 10 5 DGBERN CCc1cnc(CCNc2ncc([N+](=O)[O-])cc2Cl)s1 ZINC000078513216 400807195 /nfs/dbraw/zinc/80/71/95/400807195.db2.gz BPVCDWVNBKERCH-UHFFFAOYSA-N 0 0 312.782 3.317 10 5 DGBERN CN(Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054059126 400808792 /nfs/dbraw/zinc/80/87/92/400808792.db2.gz BPLIEIQVCRRLPZ-UHFFFAOYSA-N 0 0 306.268 3.145 10 5 DGBERN CC(C)Cn1cnnc1[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000078022094 400761341 /nfs/dbraw/zinc/76/13/41/400761341.db2.gz MUNNGDLGQLSRJC-OAHLLOKOSA-N 0 0 315.377 3.184 10 5 DGBERN CC[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000172365178 400822810 /nfs/dbraw/zinc/82/28/10/400822810.db2.gz SWHQOZBCFFBDRO-GFCCVEGCSA-N 0 0 320.374 3.002 10 5 DGBERN CC[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000172352236 400823067 /nfs/dbraw/zinc/82/30/67/400823067.db2.gz HUIGZJHDMGGHFO-GFCCVEGCSA-N 0 0 320.374 3.002 10 5 DGBERN O=C(CCOc1ccccc1[N+](=O)[O-])NCCC1CCCC1 ZINC000055179329 400856134 /nfs/dbraw/zinc/85/61/34/400856134.db2.gz OMDLKIQOBHCBPF-UHFFFAOYSA-N 0 0 306.362 3.060 10 5 DGBERN O=C(c1csc([N+](=O)[O-])c1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000174537468 400859488 /nfs/dbraw/zinc/85/94/88/400859488.db2.gz JICGKOLDQZCFPV-CYBMUJFWSA-N 0 0 324.402 3.220 10 5 DGBERN Cc1nn(C)c(C)c1C[C@@H](C)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000080660217 400975853 /nfs/dbraw/zinc/97/58/53/400975853.db2.gz YDFOBGXPBJHDES-LLVKDONJSA-N 0 0 302.378 3.297 10 5 DGBERN O=[N+]([O-])[C@@H]1[C@@H](O)c2cc(Cl)ccc2O[C@H]1c1ccccc1 ZINC000257353336 401109905 /nfs/dbraw/zinc/10/99/05/401109905.db2.gz QPNVLFYMEAMXSZ-ILXRZTDVSA-N 0 0 305.717 3.152 10 5 DGBERN C[C@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C[C@H]1O ZINC000089424394 401221748 /nfs/dbraw/zinc/22/17/48/401221748.db2.gz LCJABQYGRNCPPC-SCLBCKFNSA-N 0 0 320.392 3.231 10 5 DGBERN Cc1ccc(Sc2ccccc2S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000301804294 292190209 /nfs/dbraw/zinc/19/02/09/292190209.db2.gz DJYOYDLJQMMOSE-UHFFFAOYSA-N 0 0 323.395 3.458 10 5 DGBERN CCOc1ccc(C(=O)N(CC2CC2)C2CCC2)cc1[N+](=O)[O-] ZINC000358435864 286062257 /nfs/dbraw/zinc/06/22/57/286062257.db2.gz YUJNNZOBBURDQG-UHFFFAOYSA-N 0 0 318.373 3.398 10 5 DGBERN C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000359151971 286249239 /nfs/dbraw/zinc/24/92/39/286249239.db2.gz HJAJJXVLYULBBK-NSHDSACASA-N 0 0 303.362 3.067 10 5 DGBERN COc1ccc(CSCc2ccnc(C)n2)cc1[N+](=O)[O-] ZINC000359152571 286249446 /nfs/dbraw/zinc/24/94/46/286249446.db2.gz JGVLJJPMTNMTJB-UHFFFAOYSA-N 0 0 305.359 3.135 10 5 DGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCSC ZINC000185386623 165003216 /nfs/dbraw/zinc/00/32/16/165003216.db2.gz FBRDXMVEKNJJBD-AWEZNQCLSA-N 0 0 324.446 3.423 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC1=CCCCCC1 ZINC000186009173 165025709 /nfs/dbraw/zinc/02/57/09/165025709.db2.gz QPPIWRBQUGFWNZ-UHFFFAOYSA-N 0 0 303.362 3.309 10 5 DGBERN CCCn1nccc1NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000186135525 165028965 /nfs/dbraw/zinc/02/89/65/165028965.db2.gz XRLWSZFLCRVKRD-UHFFFAOYSA-N 0 0 320.374 3.176 10 5 DGBERN O=[N+]([O-])c1cnc(N2CCC[C@@H]2C[C@@H](O)c2ccccc2)s1 ZINC000192471793 165292192 /nfs/dbraw/zinc/29/21/92/165292192.db2.gz KMNBKTHVBPXMAT-CHWSQXEVSA-N 0 0 319.386 3.144 10 5 DGBERN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000194535301 165348184 /nfs/dbraw/zinc/34/81/84/165348184.db2.gz KKJDORTVUAFCFS-UHFFFAOYSA-N 0 0 324.296 3.206 10 5 DGBERN O=C(N[C@@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1Cl ZINC000194855298 165356458 /nfs/dbraw/zinc/35/64/58/165356458.db2.gz VCJOFJKUNCCIBJ-CYBMUJFWSA-N 0 0 318.716 3.112 10 5 DGBERN O=[N+]([O-])c1ccc(NCC[C@@H]2CCOC2)c(Br)c1 ZINC000230102989 165392539 /nfs/dbraw/zinc/39/25/39/165392539.db2.gz QKSGUTVBGKMDHV-SECBINFHSA-N 0 0 315.167 3.196 10 5 DGBERN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nccs2)C1 ZINC000171644851 432154970 /nfs/dbraw/zinc/15/49/70/432154970.db2.gz ZPHOPURTGLWEMN-NSHDSACASA-N 0 0 317.370 3.071 10 5 DGBERN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000171722070 432165611 /nfs/dbraw/zinc/16/56/11/432165611.db2.gz NFMRSCJOXFAYSV-QMMMGPOBSA-N 0 0 315.782 3.217 10 5 DGBERN COCc1ccsc1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000182497391 432195331 /nfs/dbraw/zinc/19/53/31/432195331.db2.gz HMUKCJBDRACTJO-UHFFFAOYSA-N 0 0 306.343 3.079 10 5 DGBERN CCN(CCc1nccs1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000131172052 196146405 /nfs/dbraw/zinc/14/64/05/196146405.db2.gz GLUFOPXJHSVLSN-UHFFFAOYSA-N 0 0 319.386 3.065 10 5 DGBERN Cc1ccc(CN(C)[C@@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000131497781 196174208 /nfs/dbraw/zinc/17/42/08/196174208.db2.gz GBTNSVCRSFOKOD-LBPRGKRZSA-N 0 0 308.378 3.065 10 5 DGBERN O=[N+]([O-])c1ccc(NCC2(CCO)CCC2)c2ccncc21 ZINC000132674879 196275270 /nfs/dbraw/zinc/27/52/70/196275270.db2.gz QVHKEOSXRYJKNW-UHFFFAOYSA-N 0 0 301.346 3.108 10 5 DGBERN Cc1ccccc1SCC(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000175677351 228304480 /nfs/dbraw/zinc/30/44/80/228304480.db2.gz LWIAHNXFJWWRCQ-UHFFFAOYSA-N 0 0 317.370 3.337 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)NCC2(C)CCC2)cc1[N+](=O)[O-] ZINC000176640996 228317157 /nfs/dbraw/zinc/31/71/57/228317157.db2.gz WAQYPYFXQMAIND-LBPRGKRZSA-N 0 0 305.378 3.454 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H](C(C)C)CC2)n1 ZINC000191713375 228531145 /nfs/dbraw/zinc/53/11/45/228531145.db2.gz NSAWPHCTNMTXNH-STQMWFEESA-N 0 0 322.409 3.146 10 5 DGBERN Cc1cc(NCCCCn2cnnc2)c(Cl)cc1[N+](=O)[O-] ZINC000301458380 229676749 /nfs/dbraw/zinc/67/67/49/229676749.db2.gz CVFUAHQEXCUMOT-UHFFFAOYSA-N 0 0 309.757 3.040 10 5 DGBERN Cc1n[nH]c(C)c1CNc1cc(C)nc2c1cccc2[N+](=O)[O-] ZINC000302039768 230056342 /nfs/dbraw/zinc/05/63/42/230056342.db2.gz VYPCATNZSTUJJR-UHFFFAOYSA-N 0 0 311.345 3.403 10 5 DGBERN C[C@H](C[C@@H](O)c1cccs1)Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302073976 230082489 /nfs/dbraw/zinc/08/24/89/230082489.db2.gz WZIFGSVLLKQVFX-QMTHXVAHSA-N 0 0 322.386 3.073 10 5 DGBERN O=[N+]([O-])c1cnc(NCCCc2nc3ccccc3s2)nc1 ZINC000302145525 230123021 /nfs/dbraw/zinc/12/30/21/230123021.db2.gz HLVGMCHVFVJQLR-UHFFFAOYSA-N 0 0 315.358 3.039 10 5 DGBERN O=c1cc(C2CC2)nc(SCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000188132160 263688695 /nfs/dbraw/zinc/68/86/95/263688695.db2.gz LQVYUHJEAXSBQR-UHFFFAOYSA-N 0 0 303.343 3.260 10 5 DGBERN O=[N+]([O-])c1ccc(OC[C@H](O)C2CCCCC2)c2ncccc12 ZINC000191360112 263752697 /nfs/dbraw/zinc/75/26/97/263752697.db2.gz AVVCQJNXPFSDMJ-HNNXBMFYSA-N 0 0 316.357 3.463 10 5 DGBERN CCCN(C[C@@H]1CCCCO1)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000172988705 432250488 /nfs/dbraw/zinc/25/04/88/432250488.db2.gz TUNXXSXIHRQTME-AWEZNQCLSA-N 0 0 320.389 3.325 10 5 DGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000359883987 271008486 /nfs/dbraw/zinc/00/84/86/271008486.db2.gz YIQSEAZCINQTTP-RNFRBKRXSA-N 0 0 307.247 3.093 10 5 DGBERN C[C@@H]1[C@@H](C(F)(F)F)CCN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000359883989 271008606 /nfs/dbraw/zinc/00/86/06/271008606.db2.gz YIQSEAZCINQTTP-RQJHMYQMSA-N 0 0 307.247 3.093 10 5 DGBERN Cc1cc(N2CCC[C@@H](c3nccs3)C2)ncc1[N+](=O)[O-] ZINC000301432360 274705373 /nfs/dbraw/zinc/70/53/73/274705373.db2.gz KJSGVGNYWJTHAJ-LLVKDONJSA-N 0 0 304.375 3.139 10 5 DGBERN CCC[C@@H]1CCCC[C@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000535046983 430161201 /nfs/dbraw/zinc/16/12/01/430161201.db2.gz VXYAEZPXDZSOCF-VXGBXAGGSA-N 0 0 303.366 3.408 10 5 DGBERN CC(C)(C)C[C@@H]1CCCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301995108 277147770 /nfs/dbraw/zinc/14/77/70/277147770.db2.gz OCMZCCDTPWFQHR-NSHDSACASA-N 0 0 303.366 3.043 10 5 DGBERN COC(=O)c1cc([N+](=O)[O-])c(N2C[C@H]3CCC[C@@H]3C2)cc1Cl ZINC000301696008 277153048 /nfs/dbraw/zinc/15/30/48/277153048.db2.gz YRGNIUGSYXAINF-NXEZZACHSA-N 0 0 324.764 3.271 10 5 DGBERN COC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]3C2)cc1Cl ZINC000301696009 277153094 /nfs/dbraw/zinc/15/30/94/277153094.db2.gz YRGNIUGSYXAINF-UWVGGRQHSA-N 0 0 324.764 3.271 10 5 DGBERN CC(C)(NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(F)(F)F ZINC000297954551 277308589 /nfs/dbraw/zinc/30/85/89/277308589.db2.gz VDYBLGPJVTZZGS-UHFFFAOYSA-N 0 0 310.659 3.319 10 5 DGBERN COC(=O)[C@@]12CCC[C@@H]1CN(c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000302162038 277378872 /nfs/dbraw/zinc/37/88/72/277378872.db2.gz KAYPSPQKTZDTFM-MEBBXXQBSA-N 0 0 324.764 3.028 10 5 DGBERN COc1cc(N2CC[C@@H](C(F)(F)F)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000480552548 277826646 /nfs/dbraw/zinc/82/66/46/277826646.db2.gz OTZZPNTWJURNBG-WCBMZHEXSA-N 0 0 304.268 3.381 10 5 DGBERN CC1(C)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2O1 ZINC000121593314 278367912 /nfs/dbraw/zinc/36/79/12/278367912.db2.gz ANTULIWWLLUTPT-LLVKDONJSA-N 0 0 316.313 3.220 10 5 DGBERN C[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1=O ZINC000275435913 278442089 /nfs/dbraw/zinc/44/20/89/278442089.db2.gz VZDYTKDKKCNOAG-QMMMGPOBSA-N 0 0 302.252 3.029 10 5 DGBERN Cc1cc(C(=O)N[C@H]2CCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000007214926 431337996 /nfs/dbraw/zinc/33/79/96/431337996.db2.gz FEKIKUNUIQMLAA-AWEZNQCLSA-N 0 0 312.325 3.157 10 5 DGBERN C[C@H]1CCC[C@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000302698370 279689661 /nfs/dbraw/zinc/68/96/61/279689661.db2.gz WVCMDDJLHXXMKE-QWRGUYRKSA-N 0 0 319.361 3.306 10 5 DGBERN COc1cc(C(=O)N2CCC[C@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000116045705 431482433 /nfs/dbraw/zinc/48/24/33/431482433.db2.gz QZUHQYHESPMTTK-LBPRGKRZSA-N 0 0 316.313 3.174 10 5 DGBERN COc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1F ZINC000075565615 431486369 /nfs/dbraw/zinc/48/63/69/431486369.db2.gz GUTNEIZLUOXPIF-UHFFFAOYSA-N 0 0 324.333 3.042 10 5 DGBERN CS[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000117224325 431554299 /nfs/dbraw/zinc/55/42/99/431554299.db2.gz DYKLACCFFBIDPI-ZJUUUORDSA-N 0 0 314.432 3.369 10 5 DGBERN Cc1ccc(NC(=O)NC[C@](C)(O)CCC(C)C)cc1[N+](=O)[O-] ZINC000077658613 431614214 /nfs/dbraw/zinc/61/42/14/431614214.db2.gz RJMTTXGXPTYGJN-MRXNPFEDSA-N 0 0 323.393 3.212 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCSc2ncccc21 ZINC000154553473 280658277 /nfs/dbraw/zinc/65/82/77/280658277.db2.gz SWPPSURGGRLQEB-UHFFFAOYSA-N 0 0 315.354 3.051 10 5 DGBERN Cc1cc(C(=O)N(C)CCc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000122141023 431815294 /nfs/dbraw/zinc/81/52/94/431815294.db2.gz OHAHPBXXDAVYJI-UHFFFAOYSA-N 0 0 316.332 3.357 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000087104804 431849830 /nfs/dbraw/zinc/84/98/30/431849830.db2.gz JPZZLAGVEYCUAR-LBPRGKRZSA-N 0 0 302.330 3.306 10 5 DGBERN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000087274163 431853014 /nfs/dbraw/zinc/85/30/14/431853014.db2.gz RSLVOLSEOWYZOF-WMZOPIPTSA-N 0 0 324.380 3.447 10 5 DGBERN CC[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000087317752 431853705 /nfs/dbraw/zinc/85/37/05/431853705.db2.gz TYEJRXZQDJAADW-ZDUSSCGKSA-N 0 0 319.386 3.251 10 5 DGBERN CCc1cccc(CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000089421371 431865908 /nfs/dbraw/zinc/86/59/08/431865908.db2.gz UQGJRMSLEQAUFX-UHFFFAOYSA-N 0 0 324.340 3.215 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1ccsc1 ZINC000043149276 431867768 /nfs/dbraw/zinc/86/77/68/431867768.db2.gz YRPGLAGWUBLBKM-UHFFFAOYSA-N 0 0 305.359 3.329 10 5 DGBERN Cc1ccc(CC(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000084809714 431833127 /nfs/dbraw/zinc/83/31/27/431833127.db2.gz LAYHBMYKZPDXBN-ZDUSSCGKSA-N 0 0 314.341 3.454 10 5 DGBERN CCCn1nccc1NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000047391785 431910434 /nfs/dbraw/zinc/91/04/34/431910434.db2.gz GRPJXZLZIBQWSF-NSHDSACASA-N 0 0 317.349 3.084 10 5 DGBERN CC(C)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000045625404 431888022 /nfs/dbraw/zinc/88/80/22/431888022.db2.gz VWUZPESNEGXUTD-MRVPVSSYSA-N 0 0 315.167 3.132 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1c1ccncc1 ZINC000124564789 431897941 /nfs/dbraw/zinc/89/79/41/431897941.db2.gz ZVRGPIISRCWSKQ-INIZCTEOSA-N 0 0 311.341 3.276 10 5 DGBERN O=[N+]([O-])c1cc[n+]([O-])cc1NCc1cc(Cl)ccc1Cl ZINC000097694372 431972952 /nfs/dbraw/zinc/97/29/52/431972952.db2.gz KWDNRQCSYGNJCW-UHFFFAOYSA-N 0 0 314.128 3.147 10 5 DGBERN CSc1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000055746576 431985509 /nfs/dbraw/zinc/98/55/09/431985509.db2.gz BFFPEHQJGQPWFT-UHFFFAOYSA-N 0 0 302.355 3.247 10 5 DGBERN Cc1c(C(=O)Nc2cccc(-c3ncon3)c2)cccc1[N+](=O)[O-] ZINC000101526311 431985780 /nfs/dbraw/zinc/98/57/80/431985780.db2.gz SXJQIROVCGROPG-UHFFFAOYSA-N 0 0 324.296 3.206 10 5 DGBERN CC1(C)CN(c2ncccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000302721845 281272371 /nfs/dbraw/zinc/27/23/71/281272371.db2.gz MIUFGLFAOHZYPJ-JTQLQIEISA-N 0 0 303.284 3.405 10 5 DGBERN CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])c1cc(C)cc(C)c1 ZINC000191522588 432274850 /nfs/dbraw/zinc/27/48/50/432274850.db2.gz PYMBUWZAYGCLTR-UHFFFAOYSA-N 0 0 316.361 3.095 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H](C(C)C)CC2)n1 ZINC000191713406 432295446 /nfs/dbraw/zinc/29/54/46/432295446.db2.gz NSAWPHCTNMTXNH-OLZOCXBDSA-N 0 0 322.409 3.146 10 5 DGBERN Cc1cc(NC(=O)c2snnc2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000191471584 432267875 /nfs/dbraw/zinc/26/78/75/432267875.db2.gz XIQLISAAVDOPGM-UHFFFAOYSA-N 0 0 320.374 3.305 10 5 DGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@@H]1CCCO[C@@H]1C ZINC000192235171 432348237 /nfs/dbraw/zinc/34/82/37/432348237.db2.gz JPPYPWHYORRDJA-NXEZZACHSA-N 0 0 313.737 3.277 10 5 DGBERN O=[N+]([O-])c1cc(CNc2cccc3c2OCC[C@@H]3O)cs1 ZINC000184074441 432351948 /nfs/dbraw/zinc/35/19/48/432351948.db2.gz KBLKJBUNRYIGDE-LBPRGKRZSA-N 0 0 306.343 3.084 10 5 DGBERN Cc1cc(N[C@@H](C)COCc2ccccc2)ncc1[N+](=O)[O-] ZINC000173916927 432307549 /nfs/dbraw/zinc/30/75/49/432307549.db2.gz OXXJPSUTTWUZHF-ZDUSSCGKSA-N 0 0 301.346 3.315 10 5 DGBERN C[C@H](C1CC1)n1nccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000251983836 432373343 /nfs/dbraw/zinc/37/33/43/432373343.db2.gz GNXWXAJAXQHZLN-SNVBAGLBSA-N 0 0 300.318 3.015 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cnc2ccccc2c1 ZINC000192562513 432387226 /nfs/dbraw/zinc/38/72/26/432387226.db2.gz AWMDYNXMFXRTAF-UHFFFAOYSA-N 0 0 308.297 3.099 10 5 DGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000184451188 432393404 /nfs/dbraw/zinc/39/34/04/432393404.db2.gz HDMURPOPJQMTQV-CYBMUJFWSA-N 0 0 312.325 3.157 10 5 DGBERN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000193642671 432488472 /nfs/dbraw/zinc/48/84/72/432488472.db2.gz QZQQEQSOAWTZBA-NEPJUHHUSA-N 0 0 317.345 3.174 10 5 DGBERN CC(C)[C@H]1C[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000185516640 432506736 /nfs/dbraw/zinc/50/67/36/432506736.db2.gz PGXHFPSUUTWSIX-HZPDHXFCSA-N 0 0 304.390 3.326 10 5 DGBERN Cc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)cc2o1 ZINC000193283867 432463599 /nfs/dbraw/zinc/46/35/99/432463599.db2.gz JTVDEPMODSBDKR-UHFFFAOYSA-N 0 0 312.285 3.000 10 5 DGBERN Cc1cc(Cl)cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1O ZINC000175839239 432469635 /nfs/dbraw/zinc/46/96/35/432469635.db2.gz SVDIJAGOFSMTOU-UHFFFAOYSA-N 0 0 321.720 3.218 10 5 DGBERN COc1ccc2c(c1)CCN2C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194501260 432556068 /nfs/dbraw/zinc/55/60/68/432556068.db2.gz KDEAFOPXIHAMBG-UHFFFAOYSA-N 0 0 312.325 3.115 10 5 DGBERN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](C(F)(F)F)C1 ZINC000194062699 432520408 /nfs/dbraw/zinc/52/04/08/432520408.db2.gz IODYWHCNPYMVMA-VIFPVBQESA-N 0 0 302.252 3.009 10 5 DGBERN CC[C@H](NC(=O)Cc1ccncc1C)c1cccc([N+](=O)[O-])c1 ZINC000185804386 432535379 /nfs/dbraw/zinc/53/53/79/432535379.db2.gz PMVZKSVTZHMHSJ-INIZCTEOSA-N 0 0 313.357 3.108 10 5 DGBERN Cc1cc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000194382889 432546468 /nfs/dbraw/zinc/54/64/68/432546468.db2.gz NATLDZSKBNYJFI-NSHDSACASA-N 0 0 314.345 3.323 10 5 DGBERN O=C(Nc1ccc2cc[nH]c2c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000194810634 432578523 /nfs/dbraw/zinc/57/85/23/432578523.db2.gz QAIHEIVAKIHZNQ-UHFFFAOYSA-N 0 0 321.296 3.205 10 5 DGBERN O=C(N[C@@H]1COc2ccccc21)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000194855220 432580660 /nfs/dbraw/zinc/58/06/60/432580660.db2.gz MZXGSUOVNFFNAB-GFCCVEGCSA-N 0 0 318.716 3.112 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccccc1Cl ZINC000194877263 432584046 /nfs/dbraw/zinc/58/40/46/432584046.db2.gz LUWHQZZGVOTHAZ-UHFFFAOYSA-N 0 0 319.748 3.224 10 5 DGBERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000158538404 432649108 /nfs/dbraw/zinc/64/91/08/432649108.db2.gz ZHVNGZUBRQREGL-BDJLRTHQSA-N 0 0 312.325 3.122 10 5 DGBERN CCCC[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)C1CCC1 ZINC000158696485 432654858 /nfs/dbraw/zinc/65/48/58/432654858.db2.gz FNMNYFOFAZRDOG-HNNXBMFYSA-N 0 0 305.378 3.387 10 5 DGBERN CC[C@H](NC(=O)CCc1cscn1)c1cccc([N+](=O)[O-])c1 ZINC000177787753 432662694 /nfs/dbraw/zinc/66/26/94/432662694.db2.gz QZTARGLUCCWXNT-AWEZNQCLSA-N 0 0 319.386 3.251 10 5 DGBERN CC[C@H](NC(=O)c1ccc(C)n1C)c1cccc([N+](=O)[O-])c1 ZINC000177812951 432665651 /nfs/dbraw/zinc/66/56/51/432665651.db2.gz GENBAQMUASGVFN-AWEZNQCLSA-N 0 0 301.346 3.123 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(NC2CCN(c3cccs3)CC2)n1 ZINC000178256806 432712203 /nfs/dbraw/zinc/71/22/03/432712203.db2.gz HUKOVMRWWYLBQZ-UHFFFAOYSA-N 0 0 318.402 3.441 10 5 DGBERN CCC[C@H]1C[C@H]1Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000230215529 432726460 /nfs/dbraw/zinc/72/64/60/432726460.db2.gz CQDYJOUSQDPWPL-IONNQARKSA-N 0 0 300.156 3.353 10 5 DGBERN Cc1cnc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000177922415 432675113 /nfs/dbraw/zinc/67/51/13/432675113.db2.gz ZCSOQNWIIBGNSW-SSDOTTSWSA-N 0 0 311.388 3.221 10 5 DGBERN COc1nccc2c(-c3cc([N+](=O)[O-])ccc3F)cn(C)c21 ZINC000224892359 432684216 /nfs/dbraw/zinc/68/42/16/432684216.db2.gz JQHXCBIVEJGRPZ-UHFFFAOYSA-N 0 0 301.277 3.296 10 5 DGBERN Cc1c(CC(=O)N[C@@H](C)c2cccs2)cccc1[N+](=O)[O-] ZINC000178552484 432752633 /nfs/dbraw/zinc/75/26/33/432752633.db2.gz QMTZDTYJYXOVDD-NSHDSACASA-N 0 0 304.371 3.385 10 5 DGBERN Cc1c([C@@H](C)[NH2+]Cc2ccc(CO)c(F)c2)cccc1[N+](=O)[O-] ZINC000178563602 432752730 /nfs/dbraw/zinc/75/27/30/432752730.db2.gz XZLYXBXIPUHWKI-GFCCVEGCSA-N 0 0 318.348 3.385 10 5 DGBERN CCc1ccc([C@H]2CCCCN2c2c([N+](=O)[O-])ncn2C)o1 ZINC000266270534 432755939 /nfs/dbraw/zinc/75/59/39/432755939.db2.gz QZZXBNIQJFBMQQ-GFCCVEGCSA-N 0 0 304.350 3.215 10 5 DGBERN CO[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[C@H]1C ZINC000275974424 432764617 /nfs/dbraw/zinc/76/46/17/432764617.db2.gz HXAURGBESZKUBV-RNCFNFMXSA-N 0 0 316.304 3.057 10 5 DGBERN CO[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[C@@H]1C ZINC000275974431 432765381 /nfs/dbraw/zinc/76/53/81/432765381.db2.gz HXAURGBESZKUBV-TVQRCGJNSA-N 0 0 316.304 3.057 10 5 DGBERN Cc1cc(NC(=O)COC(C)(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000161849734 432801253 /nfs/dbraw/zinc/80/12/53/432801253.db2.gz IBLDWIWFTDGYQG-UHFFFAOYSA-N 0 0 317.345 3.205 10 5 DGBERN Cc1ccc(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)cn1 ZINC000161878957 432802805 /nfs/dbraw/zinc/80/28/05/432802805.db2.gz DFBGPGYQKUNYQT-UHFFFAOYSA-N 0 0 322.324 3.407 10 5 DGBERN Cc1ccc(N2CCC(c3nccc(C)n3)CC2)c([N+](=O)[O-])c1 ZINC000374928103 433313528 /nfs/dbraw/zinc/31/35/28/433313528.db2.gz NGEXKYKAZLXLQA-UHFFFAOYSA-N 0 0 312.373 3.386 10 5 DGBERN C[C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@H]1O ZINC000300419832 433393691 /nfs/dbraw/zinc/39/36/91/433393691.db2.gz RUSACRKTTCPNTH-WRWORJQWSA-N 0 0 305.161 3.109 10 5 DGBERN O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H](O)Cc1ccccc1 ZINC000301177593 433445218 /nfs/dbraw/zinc/44/52/18/433445218.db2.gz GSORZYLXRMTYKK-ZDUSSCGKSA-N 0 0 306.749 3.264 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCC(Oc3ccc(F)cc3)CC2)nc1 ZINC000301263850 433475618 /nfs/dbraw/zinc/47/56/18/433475618.db2.gz GDTPTZVZLVYVJX-UHFFFAOYSA-N 0 0 317.320 3.177 10 5 DGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)c1c(C)noc1C ZINC000159972406 292804240 /nfs/dbraw/zinc/80/42/40/292804240.db2.gz DXNFOWNJKXAOEW-AWEZNQCLSA-N 0 0 317.345 3.389 10 5 DGBERN CCCN(C[C@H]1CCCCO1)c1ncc([N+](=O)[O-])cc1Cl ZINC000301285229 433491380 /nfs/dbraw/zinc/49/13/80/433491380.db2.gz QGKKTHCANZAWQP-GFCCVEGCSA-N 0 0 313.785 3.429 10 5 DGBERN COCc1cc([N+](=O)[O-])ccc1NCCc1ncc(C)s1 ZINC000301481336 433573657 /nfs/dbraw/zinc/57/36/57/433573657.db2.gz SGGCIDILNZONAA-UHFFFAOYSA-N 0 0 307.375 3.161 10 5 DGBERN CCS[C@@H]1CC[C@@]1(O)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000301496093 433580986 /nfs/dbraw/zinc/58/09/86/433580986.db2.gz TUSJALXVWGYQSY-CHWSQXEVSA-N 0 0 316.810 3.307 10 5 DGBERN CCO[C@@H]1C[C@H](N(C)c2cc(C)c([N+](=O)[O-])cn2)C12CCCC2 ZINC000301420716 433546285 /nfs/dbraw/zinc/54/62/85/433546285.db2.gz DWPPNIMHJKTBOU-LSDHHAIUSA-N 0 0 319.405 3.472 10 5 DGBERN COc1cc(NCCOc2cccc(F)c2)c([N+](=O)[O-])cc1F ZINC000301613142 433638788 /nfs/dbraw/zinc/63/87/88/433638788.db2.gz GUZRBPLYDCQJJE-UHFFFAOYSA-N 0 0 324.283 3.373 10 5 DGBERN CCOc1cc(CNc2cc(OC)c(F)cc2[N+](=O)[O-])ccn1 ZINC000301616822 433641747 /nfs/dbraw/zinc/64/17/47/433641747.db2.gz JYPHSZYRLZZKTE-UHFFFAOYSA-N 0 0 321.308 3.148 10 5 DGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C(C)(C)C ZINC000163873372 292871960 /nfs/dbraw/zinc/87/19/60/292871960.db2.gz MCKYISGWLAGSNM-SNVBAGLBSA-N 0 0 301.346 3.307 10 5 DGBERN O=[N+]([O-])c1cnc(N2CC3(CCOCC3)[C@@H]2C2CC2)c(Cl)c1 ZINC000292835583 433598595 /nfs/dbraw/zinc/59/85/95/433598595.db2.gz QCYFPLCWHRRXRW-ZDUSSCGKSA-N 0 0 323.780 3.039 10 5 DGBERN CCOc1cc(N2CC[C@]3(O)CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000301636295 433649335 /nfs/dbraw/zinc/64/93/35/433649335.db2.gz AAPXYIWUSLJDTN-CXAGYDPISA-N 0 0 320.389 3.125 10 5 DGBERN Cc1nc(N2Cc3ccccc3N(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000301692762 293307418 /nfs/dbraw/zinc/30/74/18/293307418.db2.gz ZFLAZLJIKXOYOP-GFCCVEGCSA-N 0 0 312.373 3.143 10 5 DGBERN C/C(=C\c1nc(-c2ncncc2C)no1)c1ccc([N+](=O)[O-])cc1 ZINC000356915334 433767878 /nfs/dbraw/zinc/76/78/78/433767878.db2.gz CSHBVWFFLXRDGN-JXMROGBWSA-N 0 0 323.312 3.304 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1 ZINC000293552172 433778059 /nfs/dbraw/zinc/77/80/59/433778059.db2.gz CECHNZQFOOOURR-OCCSQVGLSA-N 0 0 310.300 3.021 10 5 DGBERN Cc1cc(NCc2cccc(-c3cnn(C)c3)c2)ncc1[N+](=O)[O-] ZINC000301899401 433782322 /nfs/dbraw/zinc/78/23/22/433782322.db2.gz XYSQSRBXJASDHW-UHFFFAOYSA-N 0 0 323.356 3.311 10 5 DGBERN CO[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[C@@H]1C ZINC000302549193 433824420 /nfs/dbraw/zinc/82/44/20/433824420.db2.gz JNNRQNZEQHMFHE-ZANVPECISA-N 0 0 318.295 3.475 10 5 DGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCC1=O ZINC000302468945 433825200 /nfs/dbraw/zinc/82/52/00/433825200.db2.gz TVYSAAGDYOWBMX-GFCCVEGCSA-N 0 0 311.341 3.072 10 5 DGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN2CCCC[C@@H]2C1 ZINC000302680316 433830230 /nfs/dbraw/zinc/83/02/30/433830230.db2.gz OPXYRSAFDJEFPK-GFCCVEGCSA-N 0 0 309.797 3.231 10 5 DGBERN COC(=O)c1cnc(NC[C@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC000302778213 433859760 /nfs/dbraw/zinc/85/97/60/433859760.db2.gz PYDIYNFMTZZVAL-VIFPVBQESA-N 0 0 321.358 3.054 10 5 DGBERN CC(C)c1noc(CCCNc2cc(F)ccc2[N+](=O)[O-])n1 ZINC000302794657 433864833 /nfs/dbraw/zinc/86/48/33/433864833.db2.gz IVVQVMGWAAYAOO-UHFFFAOYSA-N 0 0 308.313 3.285 10 5 DGBERN CC[C@H](Nc1ccc([N+](=O)[O-])nc1)c1ccc2c(c1)OCCO2 ZINC000450359920 434126619 /nfs/dbraw/zinc/12/66/19/434126619.db2.gz IXPAIVUUOQDUKT-ZDUSSCGKSA-N 0 0 315.329 3.324 10 5 DGBERN CC(=O)c1cc(N2CC[C@H](C(C)(C)C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000286503524 434274791 /nfs/dbraw/zinc/27/47/91/434274791.db2.gz NCNDEEBPLBAIQS-GOEBONIOSA-N 0 0 320.389 3.031 10 5 DGBERN CC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc1Cl ZINC000341061554 434519890 /nfs/dbraw/zinc/51/98/90/434519890.db2.gz HVTUDZPLPXWXNF-UHFFFAOYSA-N 0 0 321.720 3.042 10 5 DGBERN C[C@H]1CCCCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000408166124 434548214 /nfs/dbraw/zinc/54/82/14/434548214.db2.gz XBPVAMLHJPTKPE-NSHDSACASA-N 0 0 301.346 3.481 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)n1 ZINC000408170087 434548449 /nfs/dbraw/zinc/54/84/49/434548449.db2.gz CAXXIUSGVADDTM-KFWWJZLASA-N 0 0 319.405 3.127 10 5 DGBERN Cc1nc(N2CCO[C@H](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000408199659 434550251 /nfs/dbraw/zinc/55/02/51/434550251.db2.gz VJTKYCSAOZAQFL-HNNXBMFYSA-N 0 0 305.378 3.084 10 5 DGBERN CC(C)CC[C@@H](O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000360703052 434672832 /nfs/dbraw/zinc/67/28/32/434672832.db2.gz LQUODVGUGUEVKR-GFCCVEGCSA-N 0 0 304.346 3.319 10 5 DGBERN Cc1cnc(COc2ccc([N+](=O)[O-])cc2Br)nc1 ZINC000361086659 434792044 /nfs/dbraw/zinc/79/20/44/434792044.db2.gz JXHCGXAAFPZYAY-UHFFFAOYSA-N 0 0 324.134 3.035 10 5 DGBERN C[C@H](C(=O)N1C[C@H]2CCCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000573893475 434933612 /nfs/dbraw/zinc/93/36/12/434933612.db2.gz YRLONLUFBPJPIU-NWANDNLSSA-N 0 0 302.374 3.347 10 5 DGBERN COc1cc2nc(C(F)(F)F)nc(Cl)c2cc1[N+](=O)[O-] ZINC000575624213 435037669 /nfs/dbraw/zinc/03/76/69/435037669.db2.gz SIOWPQWUJUMQGX-UHFFFAOYSA-N 0 0 307.615 3.219 10 5 DGBERN CC(=O)c1cc(OC(F)F)cc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575665236 435040988 /nfs/dbraw/zinc/04/09/88/435040988.db2.gz CDXOMAOUCVFSLZ-UHFFFAOYSA-N 0 0 315.150 3.297 10 5 DGBERN CC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1OC(F)(F)F ZINC000575667337 435042007 /nfs/dbraw/zinc/04/20/07/435042007.db2.gz MLKRQQSFBDQVEG-UHFFFAOYSA-N 0 0 315.150 3.297 10 5 DGBERN COc1cc([N+](=O)[O-])cc(OC(F)F)c1OC(F)(F)F ZINC000575669072 435042436 /nfs/dbraw/zinc/04/24/36/435042436.db2.gz YBPIRBDTYWBQIJ-UHFFFAOYSA-N 0 0 303.139 3.103 10 5 DGBERN CC(=O)c1c(Br)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575682924 435043800 /nfs/dbraw/zinc/04/38/00/435043800.db2.gz GMNGSFJVZXUPBU-UHFFFAOYSA-N 0 0 310.050 3.161 10 5 DGBERN CCOc1c(I)ccc(CC)c1[N+](=O)[O-] ZINC000575696178 435046722 /nfs/dbraw/zinc/04/67/22/435046722.db2.gz LNQXQUKCIOBCBO-UHFFFAOYSA-N 0 0 321.114 3.161 10 5 DGBERN CCOC(=O)c1cc([N+](=O)[O-])c(Br)cc1CC ZINC000575700649 435047767 /nfs/dbraw/zinc/04/77/67/435047767.db2.gz UBERSNGGHSNSDQ-UHFFFAOYSA-N 0 0 302.124 3.096 10 5 DGBERN CCOC(=O)Cc1cc([N+](=O)[O-])c(Cl)cc1Br ZINC000575700216 435048217 /nfs/dbraw/zinc/04/82/17/435048217.db2.gz RCGJCCQBCUWPHF-UHFFFAOYSA-N 0 0 322.542 3.116 10 5 DGBERN Cc1cc(OCc2ccc3c(c2)OCCO3)c(F)cc1[N+](=O)[O-] ZINC000478902397 435314832 /nfs/dbraw/zinc/31/48/32/435314832.db2.gz BCEHHWDZVDDMTH-UHFFFAOYSA-N 0 0 319.288 3.393 10 5 DGBERN COC(=O)c1cc(C)nc(Nc2cccc(C)c2)c1[N+](=O)[O-] ZINC000569637218 435548766 /nfs/dbraw/zinc/54/87/66/435548766.db2.gz GREFWVMYZQXIGL-UHFFFAOYSA-N 0 0 301.302 3.137 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCC[C@H]2Cc2ccc(F)cc2)cn1 ZINC000570548813 435630998 /nfs/dbraw/zinc/63/09/98/435630998.db2.gz QLCZWGZZNOQGQQ-AWEZNQCLSA-N 0 0 301.321 3.340 10 5 DGBERN COc1cccc(C[C@@H]2CCCN2c2ccc([N+](=O)[O-])nc2)c1 ZINC000518432866 435637753 /nfs/dbraw/zinc/63/77/53/435637753.db2.gz HUHSTOVRULOZAH-AWEZNQCLSA-N 0 0 313.357 3.210 10 5 DGBERN CC(C)c1ccc(CN2CCO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000548258641 435679004 /nfs/dbraw/zinc/67/90/04/435679004.db2.gz BYWCMWQAOYMHDY-KRWDZBQOSA-N 0 0 304.390 3.329 10 5 DGBERN CC1(C)CCCC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000572543890 435839852 /nfs/dbraw/zinc/83/98/52/435839852.db2.gz UZXTZYDSFCAMHG-HNNXBMFYSA-N 0 0 320.389 3.306 10 5 DGBERN Cc1c(CC(=O)N(C)C[C@H]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000543187610 314119361 /nfs/dbraw/zinc/11/93/61/314119361.db2.gz CQHZFACHZOBYIA-AWEZNQCLSA-N 0 0 302.374 3.260 10 5 DGBERN CN(C[C@H]1CC=CCC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000543197404 314120549 /nfs/dbraw/zinc/12/05/49/314120549.db2.gz UIQGFBOYKAGLMH-ZDUSSCGKSA-N 0 0 303.362 3.093 10 5 DGBERN Cc1cc(N2CCC[C@@H](C(F)(F)F)[C@H]2C)ncc1[N+](=O)[O-] ZINC000548483425 314452426 /nfs/dbraw/zinc/45/24/26/314452426.db2.gz IAKOURLKEWZBTE-NXEZZACHSA-N 0 0 303.284 3.465 10 5 DGBERN Cc1cc(N2CCC[C@@H](C(F)(F)F)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000548483427 314452513 /nfs/dbraw/zinc/45/25/13/314452513.db2.gz IAKOURLKEWZBTE-VHSXEESVSA-N 0 0 303.284 3.465 10 5 DGBERN C[C@@H](O)[C@@H](C)Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] ZINC000550206851 314531500 /nfs/dbraw/zinc/53/15/00/314531500.db2.gz UIDKUNHUTZETNN-CHWSQXEVSA-N 0 0 301.342 3.334 10 5 DGBERN CC(C)(CNc1ccc([N+](=O)[O-])nc1)c1ccc2c(c1)OCO2 ZINC000554755871 314699239 /nfs/dbraw/zinc/69/92/39/314699239.db2.gz WMKMUMGGLOZBDI-UHFFFAOYSA-N 0 0 315.329 3.108 10 5 DGBERN CC[C@@H]1CCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000563482435 315119081 /nfs/dbraw/zinc/11/90/81/315119081.db2.gz MJHJXAPWJOWMPK-SECBINFHSA-N 0 0 316.279 3.486 10 5 DGBERN Cn1ccnc1[C@H](NCCCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000570150315 315628076 /nfs/dbraw/zinc/62/80/76/315628076.db2.gz XGSQPKXXBQSPMB-MRXNPFEDSA-N 0 0 314.389 3.198 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCOCC1CCC1 ZINC000570988190 315689217 /nfs/dbraw/zinc/68/92/17/315689217.db2.gz YSKIIOKAHZSGLK-UHFFFAOYSA-N 0 0 321.377 3.150 10 5 DGBERN C[C@@H](NCc1nc(-c2ccoc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000180416594 323229129 /nfs/dbraw/zinc/22/91/29/323229129.db2.gz VDHTZLXFIHZREQ-SNVBAGLBSA-N 0 0 314.301 3.089 10 5 DGBERN Cc1cc(NC(=O)c2ncccc2OC(C)C)ccc1[N+](=O)[O-] ZINC000182437234 323298960 /nfs/dbraw/zinc/29/89/60/323298960.db2.gz GWFVPOHUNVZLOJ-UHFFFAOYSA-N 0 0 315.329 3.338 10 5 DGBERN C[C@@H](C(=O)NCCC1=CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000185139781 323382478 /nfs/dbraw/zinc/38/24/78/323382478.db2.gz AYYBGMRZPPEROM-LLVKDONJSA-N 0 0 306.337 3.454 10 5 DGBERN C[C@H](C(=O)NCCC1=CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000185139765 323382556 /nfs/dbraw/zinc/38/25/56/323382556.db2.gz AYYBGMRZPPEROM-NSHDSACASA-N 0 0 306.337 3.454 10 5 DGBERN Cn1ccnc1[C@@H](NCCCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000578150690 323692922 /nfs/dbraw/zinc/69/29/22/323692922.db2.gz CYVVBVRAPLKYOB-INIZCTEOSA-N 0 0 314.389 3.198 10 5 DGBERN Cn1cc([C@H]2CCCCN2c2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000580481582 324002876 /nfs/dbraw/zinc/00/28/76/324002876.db2.gz FUVDGUUVLGGQKV-GFCCVEGCSA-N 0 0 321.768 3.108 10 5 DGBERN Cn1cc([C@@H]2CCCCN2c2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000580481583 324003277 /nfs/dbraw/zinc/00/32/77/324003277.db2.gz FUVDGUUVLGGQKV-LBPRGKRZSA-N 0 0 321.768 3.108 10 5 DGBERN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc2c1OCCC2 ZINC000580510176 324005755 /nfs/dbraw/zinc/00/57/55/324005755.db2.gz YFOAAZMMTWXCLO-UHFFFAOYSA-N 0 0 312.325 3.481 10 5 DGBERN COC(=O)c1cc(C)nc(Oc2ccccc2C)c1[N+](=O)[O-] ZINC000584427398 337324680 /nfs/dbraw/zinc/32/46/80/337324680.db2.gz ULQISYFMIQDSNC-UHFFFAOYSA-N 0 0 302.286 3.186 10 5 DGBERN CCOC(=O)c1cc([N+](=O)[O-])ccc1NNc1ccccc1 ZINC000584591751 337373518 /nfs/dbraw/zinc/37/35/18/337373518.db2.gz HRBCZYLMCQNGGQ-UHFFFAOYSA-N 0 0 301.302 3.211 10 5 DGBERN CC1(C)CC(=O)N(CC(F)(F)F)c2ccc([N+](=O)[O-])cc21 ZINC000584622043 337374971 /nfs/dbraw/zinc/37/49/71/337374971.db2.gz MLAFADLCKCPYIR-UHFFFAOYSA-N 0 0 302.252 3.171 10 5 DGBERN Cc1c(CC(=O)N[C@H]2CCCC(F)(F)C2)cccc1[N+](=O)[O-] ZINC000439184385 533838390 /nfs/dbraw/zinc/83/83/90/533838390.db2.gz AHJWXTFCMUGOQN-LBPRGKRZSA-N 0 0 312.316 3.140 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CC[C@@H](SC)C2)c1 ZINC000301470235 533995952 /nfs/dbraw/zinc/99/59/52/533995952.db2.gz ISAQVUUYOFLRDE-WCBMZHEXSA-N 0 0 300.355 3.439 10 5 DGBERN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000174308879 534040217 /nfs/dbraw/zinc/04/02/17/534040217.db2.gz OFGXUJMTSJQTBV-JTQLQIEISA-N 0 0 320.295 3.407 10 5 DGBERN CN(CC1(CO)CC1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000189125170 522597744 /nfs/dbraw/zinc/59/77/44/522597744.db2.gz UEZDICVQKCLKNX-UHFFFAOYSA-N 0 0 320.392 3.233 10 5 DGBERN COc1cc(C)cc(NC(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000487116903 536641779 /nfs/dbraw/zinc/64/17/79/536641779.db2.gz KJFDNPDODPQPBW-UHFFFAOYSA-N 0 0 300.314 3.473 10 5 DGBERN O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1cccc(O)c1 ZINC000735529407 574705516 /nfs/dbraw/zinc/70/55/16/574705516.db2.gz YWZWLBHYLACOHP-UHFFFAOYSA-N 0 0 307.689 3.311 10 5 DGBERN C[C@H](NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000726434102 576021862 /nfs/dbraw/zinc/02/18/62/576021862.db2.gz GHHDDLAPKDVAAY-VIFPVBQESA-N 0 0 322.415 3.209 10 5 DGBERN CC(=O)c1ccc(OC(=O)c2cc([N+](=O)[O-])cnc2C)c(C)c1 ZINC000728244410 576171853 /nfs/dbraw/zinc/17/18/53/576171853.db2.gz YYHYDMDYNRRQJU-UHFFFAOYSA-N 0 0 314.297 3.028 10 5 DGBERN CO[C@@H](C(=O)OCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000151181798 620426953 /nfs/dbraw/zinc/42/69/53/620426953.db2.gz CBMOFFJSGPENBL-MRXNPFEDSA-N 0 0 315.325 3.068 10 5 DGBERN Cc1cc(C)cc([C@H](O)COc2ccc([N+](=O)[O-])cc2F)c1 ZINC000153914012 620622418 /nfs/dbraw/zinc/62/24/18/620622418.db2.gz YMUKMZOAWBTDKT-OAHLLOKOSA-N 0 0 305.305 3.463 10 5 DGBERN CC[C@H]1CCC[C@H](OC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000115918882 621158939 /nfs/dbraw/zinc/15/89/39/621158939.db2.gz QVJAHRUAMFMOJA-KBPBESRZSA-N 0 0 323.393 3.310 10 5 DGBERN CCCc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n[nH]1 ZINC000116976581 621331421 /nfs/dbraw/zinc/33/14/21/621331421.db2.gz IZRAZOJBNOUUOB-UHFFFAOYSA-N 0 0 308.725 3.176 10 5 DGBERN Cc1cncc(/C=C/C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000119401537 621664424 /nfs/dbraw/zinc/66/44/24/621664424.db2.gz BDUXNTXMRLNLOJ-YIALFULDSA-N 0 0 323.352 3.289 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)OCCCOC1CCCC1 ZINC000119690399 621716894 /nfs/dbraw/zinc/71/68/94/621716894.db2.gz BDTCXQIEWFTCKC-UHFFFAOYSA-N 0 0 307.346 3.409 10 5 DGBERN O=Cc1ccc(OCc2nc3cc(F)ccc3o2)c([N+](=O)[O-])c1 ZINC000120080807 621778526 /nfs/dbraw/zinc/77/85/26/621778526.db2.gz UZSIYTXACDMOMU-UHFFFAOYSA-N 0 0 316.244 3.267 10 5 DGBERN CC(C)n1ccnc1CN1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000123959788 622810588 /nfs/dbraw/zinc/81/05/88/622810588.db2.gz QDMBFACLMMOLND-LBPRGKRZSA-N 0 0 300.362 3.323 10 5 DGBERN CC(=O)O[C@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] ZINC000127665242 624507690 /nfs/dbraw/zinc/50/76/90/624507690.db2.gz DKTXOJOWHCAHEE-LLVKDONJSA-N 0 0 316.151 3.109 10 5 DGBERN O=C(NCC[C@H]1CC1(F)F)c1cccc(Cl)c1[N+](=O)[O-] ZINC000706508980 660861789 /nfs/dbraw/zinc/86/17/89/660861789.db2.gz RGMDGQPRKNFOFG-ZETCQYMHSA-N 0 0 304.680 3.023 10 5 DGBERN CCOc1cc(Sc2nc(CO)cs2)ccc1[N+](=O)[O-] ZINC000723388989 655694523 /nfs/dbraw/zinc/69/45/23/655694523.db2.gz RBGYFXGTEVAKPX-UHFFFAOYSA-N 0 0 312.372 3.094 10 5 DGBERN COc1ccccc1[C@@H](O)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000052047096 655801416 /nfs/dbraw/zinc/80/14/16/655801416.db2.gz LYMLULNXQMRMFV-HNNXBMFYSA-N 0 0 302.330 3.057 10 5 DGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCCCCC1 ZINC000161583943 655806704 /nfs/dbraw/zinc/80/67/04/655806704.db2.gz QMEPWRLAOWMSAX-UHFFFAOYSA-N 0 0 301.346 3.482 10 5 DGBERN O=[N+]([O-])c1cc(Cl)c(N[C@H]2CC23CC(O)C3)c(Cl)c1 ZINC000724917056 655829661 /nfs/dbraw/zinc/82/96/61/655829661.db2.gz GEVQJLJGTFRUCT-HLIOBJQSSA-N 0 0 303.145 3.227 10 5 DGBERN C[C@H](OC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000179812797 655914224 /nfs/dbraw/zinc/91/42/24/655914224.db2.gz OFLGDUSCZDYMIX-NSHDSACASA-N 0 0 320.370 3.397 10 5 DGBERN O=C(NCC[C@@H]1CCCS1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000715978024 661217495 /nfs/dbraw/zinc/21/74/95/661217495.db2.gz WPGRAYGKKZBOAE-VIFPVBQESA-N 0 0 314.794 3.264 10 5 DGBERN C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000047175975 656211631 /nfs/dbraw/zinc/21/16/31/656211631.db2.gz YXQVKLLGSZPEJF-JTQLQIEISA-N 0 0 316.269 3.421 10 5 DGBERN Cc1ccc(C(=O)Nc2ccnn2C2CCCC2)cc1[N+](=O)[O-] ZINC000060953758 656658030 /nfs/dbraw/zinc/65/80/30/656658030.db2.gz JIZGDFJTCXVBIH-UHFFFAOYSA-N 0 0 314.345 3.467 10 5 DGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1nccs1 ZINC000078004380 657079401 /nfs/dbraw/zinc/07/94/01/657079401.db2.gz ZHIWTYSPQHPCCO-NSHDSACASA-N 0 0 309.322 3.072 10 5 DGBERN O=C(COc1ccc([N+](=O)[O-])c(Cl)c1)NC1CCCCC1 ZINC000109793298 658263907 /nfs/dbraw/zinc/26/39/07/658263907.db2.gz NRCGOVBFGACJBS-UHFFFAOYSA-N 0 0 312.753 3.076 10 5 DGBERN Cc1nc(COC(=O)c2ccc([N+](=O)[O-])cc2C)sc1C ZINC000174677641 658837517 /nfs/dbraw/zinc/83/75/17/658837517.db2.gz CNNGSHYFBKPACM-UHFFFAOYSA-N 0 0 306.343 3.334 10 5 DGBERN Cc1sc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1[N+](=O)[O-] ZINC000045170298 658947165 /nfs/dbraw/zinc/94/71/65/658947165.db2.gz ACJOEVJPOKUGKT-UHFFFAOYSA-N 0 0 321.314 3.434 10 5 DGBERN O=C(NC/C=C/c1ccccc1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000171992868 659309278 /nfs/dbraw/zinc/30/92/78/659309278.db2.gz PQIADJDGQGFYMJ-QPJJXVBHSA-N 0 0 318.279 3.316 10 5 DGBERN CC(=O)[C@H]1CCCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000232618273 659441030 /nfs/dbraw/zinc/44/10/30/659441030.db2.gz ZYWOMIIGHRCBBX-VIFPVBQESA-N 0 0 300.717 3.193 10 5 DGBERN COc1ccc(C(=O)OCCOC2CCCCC2)cc1[N+](=O)[O-] ZINC000194219577 662160926 /nfs/dbraw/zinc/16/09/26/662160926.db2.gz YNOOOXKDDXMOFU-UHFFFAOYSA-N 0 0 323.345 3.110 10 5 DGBERN Cc1ccc([C@@H](C)OC(=O)[C@@H](C)OCC2CC2)cc1[N+](=O)[O-] ZINC000084808314 662203616 /nfs/dbraw/zinc/20/36/16/662203616.db2.gz AFLDTQFVJKBTFJ-VXGBXAGGSA-N 0 0 307.346 3.323 10 5 DGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1scnc1C1CC1 ZINC000089738825 662247447 /nfs/dbraw/zinc/24/74/47/662247447.db2.gz MXURPVGHUZEUSZ-UHFFFAOYSA-N 0 0 307.306 3.320 10 5 DGBERN C[C@@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccs1 ZINC000090359680 662260564 /nfs/dbraw/zinc/26/05/64/662260564.db2.gz DNALESDJWUAISV-SECBINFHSA-N 0 0 307.331 3.415 10 5 DGBERN O=[N+]([O-])c1ccc(F)cc1CN1CCc2cc(F)ccc2C1 ZINC000091894617 662323838 /nfs/dbraw/zinc/32/38/38/662323838.db2.gz PDUPSCWNAFRJIK-UHFFFAOYSA-N 0 0 304.296 3.431 10 5 DGBERN Nc1c(Cl)cc(C(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000050698705 1194611116 /nfs/dbraw/zinc/61/11/16/1194611116.db2.gz MXKJTXSVCVFPOY-UHFFFAOYSA-N 0 0 309.684 3.222 10 5 DGBERN Cc1ccc(NC(=O)c2ccc(Cl)cc2N)cc1[N+](=O)[O-] ZINC000062822345 1195268073 /nfs/dbraw/zinc/26/80/73/1195268073.db2.gz DOEDQAORELBRLX-UHFFFAOYSA-N 0 0 305.721 3.391 10 5 DGBERN O=C(NCC=C(Cl)Cl)c1cccc(Cl)c1[N+](=O)[O-] ZINC000407136540 1199636036 /nfs/dbraw/zinc/63/60/36/1199636036.db2.gz TYSHSWKYSSNGFX-UHFFFAOYSA-N 0 0 309.536 3.297 10 5 DGBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCc2ccccc2)c1F ZINC000309972362 1199711780 /nfs/dbraw/zinc/71/17/80/1199711780.db2.gz OEPCLSHLIDFBDL-UHFFFAOYSA-N 0 0 306.268 3.111 10 5 DGBERN COc1ccc([N+](=O)[O-])c(OCc2csc(Cl)n2)c1 ZINC000311595837 1199742699 /nfs/dbraw/zinc/74/26/99/1199742699.db2.gz FFDYNDZMDPZYJN-UHFFFAOYSA-N 0 0 300.723 3.292 10 5 DGBERN O=[N+]([O-])c1cccc(Cl)c1OCc1ccc(Cl)nn1 ZINC000236041900 1202605254 /nfs/dbraw/zinc/60/52/54/1202605254.db2.gz MLCKUPAYMOWVSB-UHFFFAOYSA-N 0 0 300.101 3.271 10 5 DGBERN O=[N+]([O-])c1cc(Br)ccc1CNCc1ccoc1 ZINC000162236640 1203437758 /nfs/dbraw/zinc/43/77/58/1203437758.db2.gz GEDWQDKIQQNQLK-UHFFFAOYSA-N 0 0 311.135 3.240 10 5 DGBERN C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)C1(C)CC1 ZINC000706958129 1082167124 /nfs/dbraw/zinc/16/71/24/1082167124.db2.gz RSQQNMSDNANRMH-SSDOTTSWSA-N 0 0 300.156 3.353 10 5 DGBERN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cccs1 ZINC000039535214 1082605488 /nfs/dbraw/zinc/60/54/88/1082605488.db2.gz MHOZCNQZCVGOBK-SECBINFHSA-N 0 0 305.359 3.189 10 5 DGBERN CCC(CC)(C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000263101687 282121551 /nfs/dbraw/zinc/12/15/51/282121551.db2.gz WVBUZJHWRCSOAT-GFCCVEGCSA-N 0 0 308.378 3.006 10 5 DGBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCO[C@@H]2CCCC[C@@H]21 ZINC000079314456 185164948 /nfs/dbraw/zinc/16/49/48/185164948.db2.gz HQMSDFJWSLZWRM-UONOGXRCSA-N 0 0 324.764 3.032 10 5 DGBERN CC[C@H](NC(=O)N[C@@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000090584752 185305056 /nfs/dbraw/zinc/30/50/56/185305056.db2.gz OTSJJOREMAUOFD-HIFRSBDPSA-N 0 0 303.362 3.454 10 5 DGBERN CCCCOCCNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090553084 185302972 /nfs/dbraw/zinc/30/29/72/185302972.db2.gz NNTHARUYWTVRBY-HNNXBMFYSA-N 0 0 323.393 3.162 10 5 DGBERN CCC(=O)Oc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000008907862 190632724 /nfs/dbraw/zinc/63/27/24/190632724.db2.gz RZQONOFPBBCJGK-UHFFFAOYSA-N 0 0 314.297 3.163 10 5 DGBERN CCC1(CC)CN(c2ccc([N+](=O)[O-])cc2C)CC[S@]1=O ZINC000302222715 282379549 /nfs/dbraw/zinc/37/95/49/282379549.db2.gz OTHWACTYEBSEMU-NRFANRHFSA-N 0 0 310.419 3.031 10 5 DGBERN CC1(CNc2ncc([N+](=O)[O-])cc2Br)CCC1 ZINC000226809424 201787652 /nfs/dbraw/zinc/78/76/52/201787652.db2.gz GVVIVHFNMYLVSB-UHFFFAOYSA-N 0 0 300.156 3.354 10 5 DGBERN CC1(CNc2c(Br)cncc2[N+](=O)[O-])CCC1 ZINC000231630505 201889244 /nfs/dbraw/zinc/88/92/44/201889244.db2.gz DUDBKHYOKYAYJV-UHFFFAOYSA-N 0 0 300.156 3.354 10 5 DGBERN CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H](C)c1cccnc1 ZINC000115227558 185668328 /nfs/dbraw/zinc/66/83/28/185668328.db2.gz ZKYBLUWTFWJBTD-JTQLQIEISA-N 0 0 305.359 3.275 10 5 DGBERN C[C@H](CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[S@](C)=O ZINC000130316853 432020976 /nfs/dbraw/zinc/02/09/76/432020976.db2.gz PHQSPDWIIBLZLR-IJSAXESFSA-N 0 0 324.324 3.183 10 5 DGBERN O=[N+]([O-])c1cnccc1NCc1sccc1Br ZINC000066811251 432022100 /nfs/dbraw/zinc/02/21/00/432022100.db2.gz XQKFRHFKKNXMRL-UHFFFAOYSA-N 0 0 314.164 3.426 10 5 DGBERN O=[N+]([O-])c1cnc2ccccc2c1NCCc1nccs1 ZINC000130382255 185961735 /nfs/dbraw/zinc/96/17/35/185961735.db2.gz UPNWZHWAIDYKPF-UHFFFAOYSA-N 0 0 300.343 3.254 10 5 DGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cccs2)c1 ZINC000145717070 186037981 /nfs/dbraw/zinc/03/79/81/186037981.db2.gz ZMCBVLRFSXDIHQ-SECBINFHSA-N 0 0 306.343 3.156 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1-c1n[nH]c(-c2cccc(C)c2)n1 ZINC000072237799 191080275 /nfs/dbraw/zinc/08/02/75/191080275.db2.gz NPKXFFVGVDNFSN-UHFFFAOYSA-N 0 0 310.313 3.364 10 5 DGBERN CN(C)c1nc(Nc2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000072260978 191088072 /nfs/dbraw/zinc/08/80/72/191088072.db2.gz XHNMZHHZFQCFCR-UHFFFAOYSA-N 0 0 309.329 3.348 10 5 DGBERN O=[N+]([O-])c1ccc(Oc2ncc(Br)cn2)c(F)c1 ZINC000067119846 432027345 /nfs/dbraw/zinc/02/73/45/432027345.db2.gz YLSLSXWLHKRFKI-UHFFFAOYSA-N 0 0 314.070 3.079 10 5 DGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000173016256 198177652 /nfs/dbraw/zinc/17/76/52/198177652.db2.gz IUKZKWAFSCKSME-RDJZCZTQSA-N 0 0 310.353 3.057 10 5 DGBERN COCc1cc([N+](=O)[O-])ccc1NC[C@](C)(O)CCC(C)C ZINC000080647738 192178226 /nfs/dbraw/zinc/17/82/26/192178226.db2.gz PBDNZQQFQLWANH-MRXNPFEDSA-N 0 0 310.394 3.340 10 5 DGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC2(CC)CCC2)cc1OC ZINC000174932154 198403670 /nfs/dbraw/zinc/40/36/70/198403670.db2.gz FGWFGPFYGDHUOV-UHFFFAOYSA-N 0 0 322.361 3.065 10 5 DGBERN COc1ccccc1[C@@H](O)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000176494318 198592289 /nfs/dbraw/zinc/59/22/89/198592289.db2.gz BDJROCFXGQFRKX-HNNXBMFYSA-N 0 0 302.330 3.057 10 5 DGBERN C[C@@H](C(=O)OC(C)(C)C)N(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000131488390 432038331 /nfs/dbraw/zinc/03/83/31/432038331.db2.gz KQBXBFUDNYSNEY-FROQITRMSA-N 0 0 320.389 3.270 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1OCc1nnc(-c2ccccc2)n1C ZINC000131453958 432038172 /nfs/dbraw/zinc/03/81/72/432038172.db2.gz FTHQYTCZAORMPA-UHFFFAOYSA-N 0 0 324.340 3.278 10 5 DGBERN CCOc1ccc(C(=O)N2C[C@@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000075292081 191457285 /nfs/dbraw/zinc/45/72/85/191457285.db2.gz CSDWJGPNKCAJHO-RYUDHWBXSA-N 0 0 306.362 3.254 10 5 DGBERN CCC[C@H](N[C@@H]1CCCn2ncnc21)c1cccc([N+](=O)[O-])c1 ZINC000164729870 432051426 /nfs/dbraw/zinc/05/14/26/432051426.db2.gz JTJFVEPACYAELZ-LSDHHAIUSA-N 0 0 315.377 3.152 10 5 DGBERN Cc1nc([C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000186995386 200045610 /nfs/dbraw/zinc/04/56/10/200045610.db2.gz BLUOTPJNJZWSHX-AWEZNQCLSA-N 0 0 317.370 3.337 10 5 DGBERN CC1(C)CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000170868330 432084730 /nfs/dbraw/zinc/08/47/30/432084730.db2.gz IOWFTKDJTVOTMH-UHFFFAOYSA-N 0 0 305.378 3.188 10 5 DGBERN NC(=O)c1ccc(CSCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000170940685 432088659 /nfs/dbraw/zinc/08/86/59/432088659.db2.gz VMMOIFMVIMHDLR-UHFFFAOYSA-N 0 0 320.345 3.266 10 5 DGBERN CO[C@@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC[C@@H]1C ZINC000190266745 200509340 /nfs/dbraw/zinc/50/93/40/200509340.db2.gz DABNGNANFIOVLT-IINYFYTJSA-N 0 0 321.377 3.100 10 5 DGBERN O=[N+]([O-])c1c2ccc3ccccc3c2cc2c1[C@@H](O)[C@H](O)C=C2 ZINC000006118435 181314012 /nfs/dbraw/zinc/31/40/12/181314012.db2.gz LREBZIARNANHNE-QAPCUYQASA-N 0 0 307.305 3.322 10 5 DGBERN C[C@H](COCc1ccccc1)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000193457735 201055979 /nfs/dbraw/zinc/05/59/79/201055979.db2.gz QNEYLGCJZIHTBT-GFCCVEGCSA-N 0 0 301.346 3.194 10 5 DGBERN Cc1ccc(CN(C)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000194079082 201174303 /nfs/dbraw/zinc/17/43/03/201174303.db2.gz MBSALIRFDUCQIR-LBPRGKRZSA-N 0 0 317.345 3.399 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000195067672 201333449 /nfs/dbraw/zinc/33/34/49/201333449.db2.gz VSQJBVCUJXPDDJ-VIFPVBQESA-N 0 0 321.283 3.067 10 5 DGBERN Cc1ccc(C(=O)Nc2ccnn2[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000248010728 202711296 /nfs/dbraw/zinc/71/12/96/202711296.db2.gz XZLKTIJYKNZWGO-LLVKDONJSA-N 0 0 314.345 3.323 10 5 DGBERN CCOC(=O)CC[C@H](C)Nc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000089656737 283955431 /nfs/dbraw/zinc/95/54/31/283955431.db2.gz XXWCVWADRAWTFE-NSHDSACASA-N 0 0 310.350 3.137 10 5 DGBERN CCc1ccc(OCc2nnc(C3CCC3)n2C)c([N+](=O)[O-])c1 ZINC000181117740 432114173 /nfs/dbraw/zinc/11/41/73/432114173.db2.gz VONIOVQZXYDTOR-UHFFFAOYSA-N 0 0 316.361 3.132 10 5 DGBERN COc1ccccc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103377638 284028796 /nfs/dbraw/zinc/02/87/96/284028796.db2.gz MXDHWTUDWQBMNI-NSHDSACASA-N 0 0 312.325 3.195 10 5 DGBERN Cc1cc(NC[C@@H](CO)C2CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461869380 243619758 /nfs/dbraw/zinc/61/97/58/243619758.db2.gz XZBJLFSUKHHRHI-JTQLQIEISA-N 0 0 318.295 3.352 10 5 DGBERN Cc1cc(NC[C@@H](CO)c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000461971969 243629899 /nfs/dbraw/zinc/62/98/99/243629899.db2.gz NJNPGHIDYAQLNG-ZDUSSCGKSA-N 0 0 304.321 3.230 10 5 DGBERN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccco1 ZINC000116425161 284121379 /nfs/dbraw/zinc/12/13/79/284121379.db2.gz UBHNEMNPPWPDGE-CQSZACIVSA-N 0 0 315.329 3.235 10 5 DGBERN CC[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000120786692 284178744 /nfs/dbraw/zinc/17/87/44/284178744.db2.gz BQTNHRXPLDHHAZ-QGZVFWFLSA-N 0 0 300.358 3.372 10 5 DGBERN O=[N+]([O-])c1ccc(NC[C@@H](CO)c2ccccc2)c(Cl)c1 ZINC000487632255 245084584 /nfs/dbraw/zinc/08/45/84/245084584.db2.gz JTTSRKWXHUBUSM-LBPRGKRZSA-N 0 0 306.749 3.436 10 5 DGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCC1=CCCC1 ZINC000122877493 284227571 /nfs/dbraw/zinc/22/75/71/284227571.db2.gz AMUHAKCAOZVKFP-UHFFFAOYSA-N 0 0 305.334 3.225 10 5 DGBERN O=C(N[C@H]1COc2ccccc21)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110258633 284255295 /nfs/dbraw/zinc/25/52/95/284255295.db2.gz OHUBVNLSDBRYML-NSHDSACASA-N 0 0 318.716 3.112 10 5 DGBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCO[C@H]2CCCC[C@@H]21 ZINC000079314454 296173052 /nfs/dbraw/zinc/17/30/52/296173052.db2.gz HQMSDFJWSLZWRM-KBPBESRZSA-N 0 0 324.764 3.032 10 5 DGBERN Cc1csc([C@H]2CN(c3cccc(F)c3[N+](=O)[O-])CCO2)n1 ZINC000171363028 432125677 /nfs/dbraw/zinc/12/56/77/432125677.db2.gz DAJDLLPTDOKPFC-GFCCVEGCSA-N 0 0 323.349 3.077 10 5 DGBERN O=[N+]([O-])c1ccc(N2CC[C@@H](CNc3ccccn3)C2)c(F)c1 ZINC000171364945 432125904 /nfs/dbraw/zinc/12/59/04/432125904.db2.gz HCGSXYHTCHVKJK-LBPRGKRZSA-N 0 0 316.336 3.067 10 5 DGBERN COc1cc([N+](=O)[O-])ccc1NC(=S)N[C@@H]1CCCC[C@H]1C ZINC000013822290 181902621 /nfs/dbraw/zinc/90/26/21/181902621.db2.gz CHNHAIIJLJEZAD-ZYHUDNBSSA-N 0 0 323.418 3.469 10 5 DGBERN COc1cc(NC[C@H](CCO)CC(C)C)c([N+](=O)[O-])cc1F ZINC000127413343 284338918 /nfs/dbraw/zinc/33/89/18/284338918.db2.gz ZZRZZPNFMVDTLN-LLVKDONJSA-N 0 0 314.357 3.199 10 5 DGBERN O=[N+]([O-])c1cccnc1NCCc1c[nH]c2ccc(F)cc12 ZINC000020135318 182190908 /nfs/dbraw/zinc/19/09/08/182190908.db2.gz IOUOIQATRSNWGN-UHFFFAOYSA-N 0 0 300.293 3.265 10 5 DGBERN Cc1sc(C(=O)Nc2cc3c(cc2C)OCO3)cc1[N+](=O)[O-] ZINC000181570286 432135476 /nfs/dbraw/zinc/13/54/76/432135476.db2.gz PINLVAOEDPRONM-UHFFFAOYSA-N 0 0 320.326 3.254 10 5 DGBERN COc1ccc(OC)c([C@@H](C)Nc2ncc([N+](=O)[O-])s2)c1 ZINC000190306897 432142718 /nfs/dbraw/zinc/14/27/18/432142718.db2.gz CSMPPVKJICOMPN-MRVPVSSYSA-N 0 0 309.347 3.242 10 5 DGBERN CC(=O)N[C@H](CC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000040423334 183064928 /nfs/dbraw/zinc/06/49/28/183064928.db2.gz NUXWCPXBWJKFHV-MRXNPFEDSA-N 0 0 312.325 3.045 10 5 DGBERN Cc1cc(C)n(-c2ncnc(Nc3cccc(C)c3)c2[N+](=O)[O-])n1 ZINC000040648586 183114491 /nfs/dbraw/zinc/11/44/91/183114491.db2.gz OQGDULNPONARJI-UHFFFAOYSA-N 0 0 324.344 3.239 10 5 DGBERN CCCNc1ncnc(Nc2cccc3ncccc32)c1[N+](=O)[O-] ZINC000040597104 183107299 /nfs/dbraw/zinc/10/72/99/183107299.db2.gz SWEXUSGQXCGWGJ-UHFFFAOYSA-N 0 0 324.344 3.499 10 5 DGBERN CCN(CC)c1ncnc(Nc2ccccc2C)c1[N+](=O)[O-] ZINC000040608046 183109174 /nfs/dbraw/zinc/10/91/74/183109174.db2.gz BSOJREWMMNTAKX-UHFFFAOYSA-N 0 0 301.350 3.283 10 5 DGBERN C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1ccccc1 ZINC000105713026 194120760 /nfs/dbraw/zinc/12/07/60/194120760.db2.gz BRQDIIFSFADSAG-GFCCVEGCSA-N 0 0 305.355 3.271 10 5 DGBERN Cc1sc(C(=O)NC[C@@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000110455597 194331472 /nfs/dbraw/zinc/33/14/72/194331472.db2.gz TWRKCZNENUSKDN-QWHCGFSZSA-N 0 0 316.382 3.498 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC2(CCCCC2)C1 ZINC000111162559 194398120 /nfs/dbraw/zinc/39/81/20/194398120.db2.gz QVFQWSOIHKMYNV-UHFFFAOYSA-N 0 0 317.389 3.485 10 5 DGBERN Cc1c(C(=O)N(C)CCc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000055368753 183982541 /nfs/dbraw/zinc/98/25/41/183982541.db2.gz QJUHNQIYYFVXEJ-UHFFFAOYSA-N 0 0 316.332 3.357 10 5 DGBERN CSc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000055747406 183996106 /nfs/dbraw/zinc/99/61/06/183996106.db2.gz YQUXQVDNUBSEJE-UHFFFAOYSA-N 0 0 320.345 3.386 10 5 DGBERN CCc1nc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)no1 ZINC000057812211 184055249 /nfs/dbraw/zinc/05/52/49/184055249.db2.gz FVMOMPXVZJLJCQ-UHFFFAOYSA-N 0 0 317.223 3.138 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCCC(F)(F)F ZINC000273226441 210605391 /nfs/dbraw/zinc/60/53/91/210605391.db2.gz BYTKAHHSPBVFIO-MDZDMXLPSA-N 0 0 316.279 3.457 10 5 DGBERN CC[C@@H](NS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000175110745 252686861 /nfs/dbraw/zinc/68/68/61/252686861.db2.gz CFNGFHGNSGYYPT-OAHLLOKOSA-N 0 0 320.370 3.024 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)c1nc2ccccc2n1C ZINC000120037660 195084880 /nfs/dbraw/zinc/08/48/80/195084880.db2.gz VBYGCLYHXZSNRM-UHFFFAOYSA-N 0 0 324.340 3.067 10 5 DGBERN O=[N+]([O-])c1c(N[C@@H]2C[C@@H]2c2ccccc2)nc2sccn21 ZINC000044416756 285079220 /nfs/dbraw/zinc/07/92/20/285079220.db2.gz YWWRIIODVCWXGQ-GHMZBOCLSA-N 0 0 300.343 3.272 10 5 DGBERN CC1(C)C[C@H]1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000337824857 253180176 /nfs/dbraw/zinc/18/01/76/253180176.db2.gz WQOADLFYILBATP-JSGCOSHPSA-N 0 0 306.387 3.215 10 5 DGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000286444041 218991678 /nfs/dbraw/zinc/99/16/78/218991678.db2.gz IZWAWEOHXVHROZ-HOCLYGCPSA-N 0 0 320.389 3.031 10 5 DGBERN CCc1cc(Oc2ccc(C(C)=O)cc2[N+](=O)[O-])nc(C)n1 ZINC000272941581 210327361 /nfs/dbraw/zinc/32/73/61/210327361.db2.gz XAVVENKWFKHLQV-UHFFFAOYSA-N 0 0 301.302 3.251 10 5 DGBERN Cc1cnc(OCCCC(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000157894187 197224577 /nfs/dbraw/zinc/22/45/77/197224577.db2.gz WBORUGXNCSZKSV-UHFFFAOYSA-N 0 0 300.314 3.340 10 5 DGBERN O=C(NC/C=C\c1ccccc1)NCc1ccccc1[N+](=O)[O-] ZINC000255588011 285166621 /nfs/dbraw/zinc/16/66/21/285166621.db2.gz GWHUUNCHLWNPEQ-TWGQIWQCSA-N 0 0 311.341 3.107 10 5 DGBERN CC(=O)c1cc(N[C@@H](CO)c2ccsc2)ccc1[N+](=O)[O-] ZINC000342881560 254069999 /nfs/dbraw/zinc/06/99/99/254069999.db2.gz HTAZYECZUISIDI-ZDUSSCGKSA-N 0 0 306.343 3.004 10 5 DGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCSC[C@@H]1C ZINC000275886846 291906272 /nfs/dbraw/zinc/90/62/72/291906272.db2.gz QWDMQSQNEXHSSM-VIFPVBQESA-N 0 0 314.794 3.134 10 5 DGBERN C[C@H]1CCCC[C@H]1N(C)C(=O)CSc1ncccc1[N+](=O)[O-] ZINC000120441346 195167307 /nfs/dbraw/zinc/16/73/07/195167307.db2.gz PHQZVTDWRVJXCV-NWDGAFQWSA-N 0 0 323.418 3.119 10 5 DGBERN CSCC[C@H](C)N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000120675905 195214545 /nfs/dbraw/zinc/21/45/45/195214545.db2.gz WLWJUDOCDURCHJ-JTQLQIEISA-N 0 0 321.402 3.290 10 5 DGBERN CC[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccncc1 ZINC000124790789 195679621 /nfs/dbraw/zinc/67/96/21/195679621.db2.gz DWIYMJNWFQXKSN-HNNXBMFYSA-N 0 0 324.340 3.352 10 5 DGBERN COC(=O)[C@]12CCC[C@H]1CN(c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000302151023 533640304 /nfs/dbraw/zinc/64/03/04/533640304.db2.gz HQSRQIHCRSJGLV-BONVTDFDSA-N 0 0 324.764 3.028 10 5 DGBERN C/C(=C/c1nc([C@@H]2CCCO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000357085705 285631591 /nfs/dbraw/zinc/63/15/91/285631591.db2.gz LKWCIWXDUAPMJZ-XPSMFNQNSA-N 0 0 301.302 3.390 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@H]2CCCO2)no1 ZINC000357087994 285632000 /nfs/dbraw/zinc/63/20/00/285632000.db2.gz NPGRWAJTTFWSCN-WTNCMQEWSA-N 0 0 301.302 3.390 10 5 DGBERN CN(Cc1nc(-c2ccccc2)c[nH]1)c1ccc([N+](=O)[O-])nc1 ZINC000357175545 285665520 /nfs/dbraw/zinc/66/55/20/285665520.db2.gz XJUGORDUIYSSES-UHFFFAOYSA-N 0 0 309.329 3.016 10 5 DGBERN O=[N+]([O-])c1ccc(Cc2noc(C3CCC(F)(F)CC3)n2)nc1 ZINC000357334706 285720881 /nfs/dbraw/zinc/72/08/81/285720881.db2.gz ZTCKWPKSALDZQX-UHFFFAOYSA-N 0 0 324.287 3.257 10 5 DGBERN COc1ccc(C)cc1[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000007922750 400113800 /nfs/dbraw/zinc/11/38/00/400113800.db2.gz ZNOUPYMEKQHTHO-LBPRGKRZSA-N 0 0 314.341 3.403 10 5 DGBERN CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1)c1nnc2ccccn21 ZINC000091485461 400123745 /nfs/dbraw/zinc/12/37/45/400123745.db2.gz LQNJTZOUJDAQCE-HNNXBMFYSA-N 0 0 311.345 3.447 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)c1ccncc1 ZINC000091841683 400139102 /nfs/dbraw/zinc/13/91/02/400139102.db2.gz CJKJYGAZKSOGCB-UHFFFAOYSA-N 0 0 313.357 3.006 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCc2ccccc2C1 ZINC000316266667 400148822 /nfs/dbraw/zinc/14/88/22/400148822.db2.gz GLLFBBSBYFGEIS-CQSZACIVSA-N 0 0 300.362 3.089 10 5 DGBERN C[C@H]1CCCN(c2ccc(C(=O)NC3CCC3)cc2[N+](=O)[O-])C1 ZINC000609333238 400160736 /nfs/dbraw/zinc/16/07/36/400160736.db2.gz HJLYNDSNBMOZBH-LBPRGKRZSA-N 0 0 317.389 3.113 10 5 DGBERN CC(C)(C)C[C@@H]1CCCN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610274936 400230685 /nfs/dbraw/zinc/23/06/85/400230685.db2.gz UQLLFNMNHQVWJC-LBPRGKRZSA-N 0 0 305.378 3.099 10 5 DGBERN CCc1cnc(CNc2cc(OC)cc(F)c2[N+](=O)[O-])s1 ZINC000092658288 400191197 /nfs/dbraw/zinc/19/11/97/400191197.db2.gz RCBASEDJBABHQN-UHFFFAOYSA-N 0 0 311.338 3.374 10 5 DGBERN O=C(Nc1ccc2nccn2c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609875643 400197431 /nfs/dbraw/zinc/19/74/31/400197431.db2.gz YPSSAOCESPNGQB-UHFFFAOYSA-N 0 0 316.704 3.148 10 5 DGBERN CCc1nn(C)c(N2CCC[C@]3(CC=CCC3)C2)c1[N+](=O)[O-] ZINC000094159425 400271911 /nfs/dbraw/zinc/27/19/11/400271911.db2.gz JIFMWQGUNLWABY-MRXNPFEDSA-N 0 0 304.394 3.217 10 5 DGBERN O=[N+]([O-])c1ccc(NCc2c(F)c(F)cc(F)c2F)cn1 ZINC000610589197 400279355 /nfs/dbraw/zinc/27/93/55/400279355.db2.gz WPNSYTYGYLYIRH-UHFFFAOYSA-N 0 0 301.199 3.158 10 5 DGBERN O=[N+]([O-])c1cc(Br)c(F)cc1OC(F)(F)F ZINC000396049357 400281925 /nfs/dbraw/zinc/28/19/25/400281925.db2.gz DQDIOJQMJXUAEV-UHFFFAOYSA-N 0 0 303.993 3.395 10 5 DGBERN O=[N+]([O-])c1cnc(N[C@@H]2CC[C@H]3C[C@H]3C2)c(Br)c1 ZINC000403529647 400294061 /nfs/dbraw/zinc/29/40/61/400294061.db2.gz NTJPLKIRJGQJGE-XHNCKOQMSA-N 0 0 312.167 3.353 10 5 DGBERN COc1c(C)c(C(=O)c2ccc([N+](=O)[O-])cc2)n2ccccc12 ZINC000113566917 400381468 /nfs/dbraw/zinc/38/14/68/400381468.db2.gz SQKJFDIPMUZFFA-UHFFFAOYSA-N 0 0 310.309 3.396 10 5 DGBERN CCNc1cc(-c2ccc([N+](=O)[O-])cc2)sc1C(=O)NC ZINC000114748131 400389661 /nfs/dbraw/zinc/38/96/61/400389661.db2.gz QGGZQVXKRMTCHE-UHFFFAOYSA-N 0 0 305.359 3.115 10 5 DGBERN C[C@H](Cn1cc(Br)c([N+](=O)[O-])n1)c1ccccc1 ZINC000116611990 400412032 /nfs/dbraw/zinc/41/20/32/400412032.db2.gz BEXUIGRFYPCGLR-SECBINFHSA-N 0 0 310.151 3.358 10 5 DGBERN C=Cc1ccc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000617617925 400427537 /nfs/dbraw/zinc/42/75/37/400427537.db2.gz DTCSZFKIJIQDCX-UHFFFAOYSA-N 0 0 308.337 3.436 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C)c3ccccc3C2)n1 ZINC000611616365 400429302 /nfs/dbraw/zinc/42/93/02/400429302.db2.gz YNINLNHDKOQXMG-UHFFFAOYSA-N 0 0 312.373 3.063 10 5 DGBERN COC[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000611709390 400439905 /nfs/dbraw/zinc/43/99/05/400439905.db2.gz UAYQFPJNIHZCJO-INIZCTEOSA-N 0 0 324.340 3.338 10 5 DGBERN C[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])CC(F)F ZINC000591966442 400589177 /nfs/dbraw/zinc/58/91/77/400589177.db2.gz YZKFSTZBWVBRHR-LURJTMIESA-N 0 0 324.125 3.456 10 5 DGBERN CCc1cnc(CCNc2ccc(C(C)=O)cc2[N+](=O)[O-])s1 ZINC000078513286 400807066 /nfs/dbraw/zinc/80/70/66/400807066.db2.gz RNRDYGVBPFYVMA-UHFFFAOYSA-N 0 0 319.386 3.471 10 5 DGBERN CC(C)(C)[C@@H](O)CNc1ccc([N+](=O)[O-])cc1Br ZINC000078253692 400780912 /nfs/dbraw/zinc/78/09/12/400780912.db2.gz FQZCOUIRLLVLDS-NSHDSACASA-N 0 0 317.183 3.176 10 5 DGBERN CCO[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000078360416 400792410 /nfs/dbraw/zinc/79/24/10/400792410.db2.gz WFJIZQJFGTWKNT-NWDGAFQWSA-N 0 0 311.769 3.403 10 5 DGBERN CC[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000172352233 400822802 /nfs/dbraw/zinc/82/28/02/400822802.db2.gz HUIGZJHDMGGHFO-LBPRGKRZSA-N 0 0 320.374 3.002 10 5 DGBERN COc1c(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)cccc1[N+](=O)[O-] ZINC000619442449 400849879 /nfs/dbraw/zinc/84/98/79/400849879.db2.gz VJXMUQZPPHNFAV-PXAZEXFGSA-N 0 0 318.373 3.256 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CC(Cc2ccccc2C)C1 ZINC000619485091 400855802 /nfs/dbraw/zinc/85/58/02/400855802.db2.gz HQLXZPLBBBFHGW-UHFFFAOYSA-N 0 0 314.389 3.107 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)CSc2ccc([N+](=O)[O-])cc2)o1 ZINC000057465105 401006692 /nfs/dbraw/zinc/00/66/92/401006692.db2.gz SVLHWFQBQWZTFF-NSHDSACASA-N 0 0 320.370 3.466 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)CSc2ccc([N+](=O)[O-])cc2)o1 ZINC000057465102 401006826 /nfs/dbraw/zinc/00/68/26/401006826.db2.gz SVLHWFQBQWZTFF-LLVKDONJSA-N 0 0 320.370 3.466 10 5 DGBERN Cc1nnc([C@H](Nc2ccccc2[N+](=O)[O-])c2ccccc2)[nH]1 ZINC000057840300 401031768 /nfs/dbraw/zinc/03/17/68/401031768.db2.gz OGWWBPWTZQUWOQ-OAHLLOKOSA-N 0 0 309.329 3.223 10 5 DGBERN O=C(c1scnc1C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000089748636 401237318 /nfs/dbraw/zinc/23/73/18/401237318.db2.gz APESOCMNPLIEMS-UHFFFAOYSA-N 0 0 315.354 3.132 10 5 DGBERN CC(=O)N(C)c1cccc(Nc2nc(C)cc(C)c2[N+](=O)[O-])c1 ZINC000359095501 286235645 /nfs/dbraw/zinc/23/56/45/286235645.db2.gz MPHRTMCDZHMMSF-UHFFFAOYSA-N 0 0 314.345 3.333 10 5 DGBERN O=C1CCN1c1ccc(Nc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000359301593 286278688 /nfs/dbraw/zinc/27/86/88/286278688.db2.gz NXUBEYUNAATZJY-UHFFFAOYSA-N 0 0 318.720 3.124 10 5 DGBERN Cc1cc([N+](=O)[O-])cnc1N1CCO[C@@H](C2CCCCC2)C1 ZINC000408197984 165948035 /nfs/dbraw/zinc/94/80/35/165948035.db2.gz LCEKYVITDUKGGZ-OAHLLOKOSA-N 0 0 305.378 3.084 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000177197977 164801409 /nfs/dbraw/zinc/80/14/09/164801409.db2.gz SUZQXMIIXXUUHV-NWDGAFQWSA-N 0 0 313.357 3.220 10 5 DGBERN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c(C)n1 ZINC000185453370 165004841 /nfs/dbraw/zinc/00/48/41/165004841.db2.gz XEDLPCPGDIZKJN-UHFFFAOYSA-N 0 0 322.324 3.407 10 5 DGBERN CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000186714053 165057062 /nfs/dbraw/zinc/05/70/62/165057062.db2.gz GLUFVMNBGLRONP-KGLIPLIRSA-N 0 0 314.345 3.011 10 5 DGBERN CCCc1cc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])n[nH]1 ZINC000188151401 165115194 /nfs/dbraw/zinc/11/51/94/165115194.db2.gz SSRPHEUPRKUFLR-UHFFFAOYSA-N 0 0 320.374 3.245 10 5 DGBERN O=C(NCc1ccc(C2CC2)cc1)c1csc([N+](=O)[O-])c1 ZINC000191174925 165234015 /nfs/dbraw/zinc/23/40/15/165234015.db2.gz UZTSGQMBZBGNMH-UHFFFAOYSA-N 0 0 302.355 3.464 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000192628374 165299742 /nfs/dbraw/zinc/29/97/42/165299742.db2.gz GBLPEJXBFORLDE-MRXNPFEDSA-N 0 0 311.341 3.058 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1N(C)Cc1ccc(Cl)cc1 ZINC000195332822 165364802 /nfs/dbraw/zinc/36/48/02/165364802.db2.gz LOGSOFATQPELNM-UHFFFAOYSA-N 0 0 308.769 3.409 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCC(c3cc[nH]n3)CC2)c(Cl)c1 ZINC000195498663 165372111 /nfs/dbraw/zinc/37/21/11/165372111.db2.gz UHEMRALOGWDRSL-UHFFFAOYSA-N 0 0 306.753 3.355 10 5 DGBERN O=[N+]([O-])c1ccc(NCC[C@H]2CCOC2)c(Br)c1 ZINC000230102995 165392374 /nfs/dbraw/zinc/39/23/74/165392374.db2.gz QKSGUTVBGKMDHV-VIFPVBQESA-N 0 0 315.167 3.196 10 5 DGBERN CC1(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000182318351 432179099 /nfs/dbraw/zinc/17/90/99/432179099.db2.gz QSGYKLRMFDEWQE-UHFFFAOYSA-N 0 0 314.288 3.116 10 5 DGBERN Cc1c(NC(=O)[C@@H](C)SC2CCOCC2)cccc1[N+](=O)[O-] ZINC000131045174 196135169 /nfs/dbraw/zinc/13/51/69/196135169.db2.gz SJGYQDPIGQKUBX-LLVKDONJSA-N 0 0 324.402 3.142 10 5 DGBERN CC[C@H](NC(=O)c1cccc(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000182563781 432204364 /nfs/dbraw/zinc/20/43/64/432204364.db2.gz SPGABJMMHJWQBR-HNNXBMFYSA-N 0 0 300.314 3.182 10 5 DGBERN CC(C)c1csc(NC(=O)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000132022718 196219527 /nfs/dbraw/zinc/21/95/27/196219527.db2.gz XBVAENNTHKNUAZ-UHFFFAOYSA-N 0 0 305.359 3.356 10 5 DGBERN Cc1nc(NC(=O)C/C=C/c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000133787480 196335696 /nfs/dbraw/zinc/33/56/96/196335696.db2.gz KYJUFLLIEQUKID-NSCUHMNNSA-N 0 0 315.304 3.479 10 5 DGBERN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2cc[nH]c2c1 ZINC000194798636 228597131 /nfs/dbraw/zinc/59/71/31/228597131.db2.gz FGLPMDIRULPZQE-UHFFFAOYSA-N 0 0 311.297 3.094 10 5 DGBERN Cc1cc(N[C@H]2CCCC[C@H]2O)c2cccc([N+](=O)[O-])c2n1 ZINC000302027982 230044298 /nfs/dbraw/zinc/04/42/98/230044298.db2.gz RBUQLYFAIGDHLV-SWLSCSKDSA-N 0 0 301.346 3.167 10 5 DGBERN Cc1cccc(O[C@@H](C)CNc2cc(CO)ccc2[N+](=O)[O-])c1 ZINC000302060915 230070473 /nfs/dbraw/zinc/07/04/73/230070473.db2.gz RZCDZEUXIYDCKA-ZDUSSCGKSA-N 0 0 316.357 3.275 10 5 DGBERN O=[N+]([O-])c1ccc(OC[C@@H](O)C2CCCCC2)c2ncccc12 ZINC000191360127 263752591 /nfs/dbraw/zinc/75/25/91/263752591.db2.gz AVVCQJNXPFSDMJ-OAHLLOKOSA-N 0 0 316.357 3.463 10 5 DGBERN Cc1ccc2c(c1)[C@@H](Nc1ccc3ncc([N+](=O)[O-])n3n1)CC2 ZINC000611240925 425079855 /nfs/dbraw/zinc/07/98/55/425079855.db2.gz KBQHZJDFNWUTFU-ZDUSSCGKSA-N 0 0 309.329 3.045 10 5 DGBERN Cc1cc(N2CCS[C@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000182930044 432243628 /nfs/dbraw/zinc/24/36/28/432243628.db2.gz MQGOCZRLGOWHKJ-LLVKDONJSA-N 0 0 303.387 3.393 10 5 DGBERN Cc1nn(CCCc2ccccc2Br)cc1[N+](=O)[O-] ZINC000182966725 432247737 /nfs/dbraw/zinc/24/77/37/432247737.db2.gz VOBIEJBMMVVBAP-UHFFFAOYSA-N 0 0 324.178 3.495 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C2CC2)C1 ZINC000370323380 271352500 /nfs/dbraw/zinc/35/25/00/271352500.db2.gz GNNZOBYYNVCBQO-PABFRNLHSA-N 0 0 300.358 3.257 10 5 DGBERN Cc1sc(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000183033686 432252343 /nfs/dbraw/zinc/25/23/43/432252343.db2.gz NPKYLKKOSFFHCG-LLVKDONJSA-N 0 0 312.391 3.041 10 5 DGBERN CCOc1c(F)cccc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000173018395 432253154 /nfs/dbraw/zinc/25/31/54/432253154.db2.gz JJTREOSNRMLUEM-UHFFFAOYSA-N 0 0 304.277 3.385 10 5 DGBERN CO[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[C@H]1C ZINC000302518966 277344330 /nfs/dbraw/zinc/34/43/30/277344330.db2.gz BDGAVRUTCBVHBS-RNCFNFMXSA-N 0 0 318.295 3.475 10 5 DGBERN COC(=O)c1cc(N2CCCC3(CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000302250264 277423095 /nfs/dbraw/zinc/42/30/95/277423095.db2.gz MMLZTWLAEGGRDO-UHFFFAOYSA-N 0 0 304.346 3.070 10 5 DGBERN COc1cc2c3c(cc4ccccc4c3c1OC)NC(=O)C2=O ZINC000006017923 277856529 /nfs/dbraw/zinc/85/65/29/277856529.db2.gz BAGGDUOPTSQTHD-UHFFFAOYSA-N 0 0 307.305 3.145 10 5 biogenic,in-vitro DGBERN CCC[C@@H](N[C@@H]1CCCn2ncnc21)c1cccc([N+](=O)[O-])c1 ZINC000164729985 278872730 /nfs/dbraw/zinc/87/27/30/278872730.db2.gz JTJFVEPACYAELZ-HUUCEWRRSA-N 0 0 315.377 3.152 10 5 DGBERN CCCO[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000108225255 431130081 /nfs/dbraw/zinc/13/00/81/431130081.db2.gz PRDOJHMJVCVZSJ-HNNXBMFYSA-N 0 0 320.389 3.325 10 5 DGBERN CCOc1cc(C(=O)NCc2ccccc2[N+](=O)[O-])ccc1C ZINC000113030132 431325869 /nfs/dbraw/zinc/32/58/69/431325869.db2.gz VFKQZMJSBSUQJB-UHFFFAOYSA-N 0 0 314.341 3.232 10 5 DGBERN C[C@@H]1CC[C@H](C)N(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000075277373 431466371 /nfs/dbraw/zinc/46/63/71/431466371.db2.gz OZZROOZLOWYWAE-OLZOCXBDSA-N 0 0 305.378 3.044 10 5 DGBERN CC(C)c1csc(NC(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000010638001 431466681 /nfs/dbraw/zinc/46/66/81/431466681.db2.gz XBSWRJJBKOCTIV-UHFFFAOYSA-N 0 0 305.359 3.356 10 5 DGBERN O=C(C[C@@H]1CCOc2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000117578363 431570665 /nfs/dbraw/zinc/57/06/65/431570665.db2.gz FJYGOTUVUMQVIY-LBPRGKRZSA-N 0 0 312.325 3.490 10 5 DGBERN Cc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c(C)o1 ZINC000103377234 280345767 /nfs/dbraw/zinc/34/57/67/280345767.db2.gz GBXIIAUCDVHJNS-SECBINFHSA-N 0 0 300.314 3.396 10 5 DGBERN CCc1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)cs1 ZINC000078616633 431688722 /nfs/dbraw/zinc/68/87/22/431688722.db2.gz DDHMVAXTLJSWTC-SNVBAGLBSA-N 0 0 319.386 3.413 10 5 DGBERN CC(C)(C)c1ccc(C(=O)NCc2cscn2)cc1[N+](=O)[O-] ZINC000123065467 431853998 /nfs/dbraw/zinc/85/39/98/431853998.db2.gz VQPIDBQTMRCRCR-UHFFFAOYSA-N 0 0 319.386 3.279 10 5 DGBERN O=[N+]([O-])c1cccc(CN2CCO[C@@H](c3ccsc3)C2)c1 ZINC000125419748 431924952 /nfs/dbraw/zinc/92/49/52/431924952.db2.gz SMHQOOPWFRUWFT-OAHLLOKOSA-N 0 0 304.371 3.230 10 5 DGBERN Cc1c(NC(=O)c2scnc2C2CC2)cccc1[N+](=O)[O-] ZINC000089738868 431877424 /nfs/dbraw/zinc/87/74/24/431877424.db2.gz HFOXSGDODWHJPQ-UHFFFAOYSA-N 0 0 303.343 3.489 10 5 DGBERN CC[C@H](NC(=O)c1cc(C(C)C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000090466538 431892171 /nfs/dbraw/zinc/89/21/71/431892171.db2.gz PDCHUTZIJUBNLM-ZDUSSCGKSA-N 0 0 316.361 3.322 10 5 DGBERN CCOc1cc(F)ccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000046519219 431897851 /nfs/dbraw/zinc/89/78/51/431897851.db2.gz BKYBLKUFXDPASQ-UHFFFAOYSA-N 0 0 319.292 3.088 10 5 DGBERN Cc1cccc(C(C)(C)NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000125453389 431925891 /nfs/dbraw/zinc/92/58/91/431925891.db2.gz IIABCHJQPWSAIV-UHFFFAOYSA-N 0 0 313.357 3.272 10 5 DGBERN CC(C)COCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000097476921 431969554 /nfs/dbraw/zinc/96/95/54/431969554.db2.gz WUQZMEYLOHNOGB-UHFFFAOYSA-N 0 0 317.183 3.442 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000067030618 281017034 /nfs/dbraw/zinc/01/70/34/281017034.db2.gz FQNJCHMEQFEOOG-OAHLLOKOSA-N 0 0 312.325 3.157 10 5 DGBERN CCc1ccc(C(=O)Nc2ncc(C(C)=O)s2)cc1[N+](=O)[O-] ZINC000173437537 432279836 /nfs/dbraw/zinc/27/98/36/432279836.db2.gz HMXCBQBCRSBFFG-UHFFFAOYSA-N 0 0 319.342 3.069 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3occ(C)c3c2)n1 ZINC000191716508 432295508 /nfs/dbraw/zinc/29/55/08/432295508.db2.gz XURNNAOGGXRGFF-UHFFFAOYSA-N 0 0 314.301 3.118 10 5 DGBERN CCCCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccccc1 ZINC000191459541 432266237 /nfs/dbraw/zinc/26/62/37/432266237.db2.gz MILHRFSPCHNNCG-UHFFFAOYSA-N 0 0 316.361 3.258 10 5 DGBERN CCc1cccc(CC)c1NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191454624 432267446 /nfs/dbraw/zinc/26/74/46/432267446.db2.gz IWDPJESCWLVJHE-UHFFFAOYSA-N 0 0 316.361 3.188 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nccn1-c1ccccc1 ZINC000192017775 432323611 /nfs/dbraw/zinc/32/36/11/432323611.db2.gz WWAKVZARXSJTQM-UHFFFAOYSA-N 0 0 322.324 3.341 10 5 DGBERN Cc1ccc([C@H](C)OC(=O)CCOCC(F)F)cc1[N+](=O)[O-] ZINC000192246077 432350554 /nfs/dbraw/zinc/35/05/54/432350554.db2.gz FBXGRJGLKLUIRO-JTQLQIEISA-N 0 0 317.288 3.179 10 5 DGBERN COc1cccc(F)c1[C@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000174504340 432351373 /nfs/dbraw/zinc/35/13/73/432351373.db2.gz YJPNCZWCOLVLOG-JTQLQIEISA-N 0 0 318.304 3.234 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC(F)(F)F)C1CCC1 ZINC000175074119 432394388 /nfs/dbraw/zinc/39/43/88/432394388.db2.gz GNSIIVDSJMBXGI-UHFFFAOYSA-N 0 0 316.279 3.460 10 5 DGBERN CCc1n[nH]c(C(=O)N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000251551888 432369490 /nfs/dbraw/zinc/36/94/90/432369490.db2.gz HPUOKINQUNSORG-NTZNESFSSA-N 0 0 322.409 3.071 10 5 DGBERN CCc1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000251551875 432369829 /nfs/dbraw/zinc/36/98/29/432369829.db2.gz HPUOKINQUNSORG-GMXVVIOVSA-N 0 0 322.409 3.071 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1NC1CCN(CC(F)(F)F)CC1 ZINC000192998348 432438478 /nfs/dbraw/zinc/43/84/78/432438478.db2.gz YTISMMSDILIEEB-UHFFFAOYSA-N 0 0 317.311 3.342 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1C(C)C ZINC000184919810 432446208 /nfs/dbraw/zinc/44/62/08/432446208.db2.gz VDMUISPVAJZIJV-ZRDIBKRKSA-N 0 0 314.345 3.414 10 5 DGBERN CC[C@@H](NC(=O)Nc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000175187921 432408913 /nfs/dbraw/zinc/40/89/13/432408913.db2.gz AZQDGOGHFVHBBE-LLVKDONJSA-N 0 0 306.347 3.324 10 5 DGBERN CCC[C@]1(COC)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000192742635 432409384 /nfs/dbraw/zinc/40/93/84/432409384.db2.gz YKMJSTGBIVISQB-QGZVFWFLSA-N 0 0 320.389 3.325 10 5 DGBERN Cc1ccc(-n2cnnn2)cc1N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000192765136 432410272 /nfs/dbraw/zinc/41/02/72/432410272.db2.gz PCIRLXRTQRRHDU-GFCCVEGCSA-N 0 0 324.344 3.052 10 5 DGBERN CC[C@H](N[C@@H](C)c1nc(C)cc(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000192762845 432410409 /nfs/dbraw/zinc/41/04/09/432410409.db2.gz MIEFSYOYHFZIBM-FZMZJTMJSA-N 0 0 316.361 3.201 10 5 DGBERN CC(C)[C@H]1C[C@@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000185169690 432472545 /nfs/dbraw/zinc/47/25/45/432472545.db2.gz LPQJCORVCHGCEK-OLZOCXBDSA-N 0 0 310.781 3.499 10 5 DGBERN CC(C)(C)CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000193679059 432490109 /nfs/dbraw/zinc/49/01/09/432490109.db2.gz JZJMWMIRDULCST-UHFFFAOYSA-N 0 0 305.378 3.315 10 5 DGBERN CC[C@@H](NC(=O)NCCCSC)c1cccc([N+](=O)[O-])c1 ZINC000176259241 432504453 /nfs/dbraw/zinc/50/44/53/432504453.db2.gz YLXFVHFJBLGQJM-CYBMUJFWSA-N 0 0 311.407 3.098 10 5 DGBERN Cc1ccc(NCC[C@H]2c3ccccc3NC2=O)c([N+](=O)[O-])c1 ZINC000155383365 432553019 /nfs/dbraw/zinc/55/30/19/432553019.db2.gz ORAYQSANUPYWNH-ZDUSSCGKSA-N 0 0 311.341 3.441 10 5 DGBERN O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc2cc[nH]c2c1 ZINC000194284176 432538491 /nfs/dbraw/zinc/53/84/91/432538491.db2.gz SGBAVOCDTWAYPA-UHFFFAOYSA-N 0 0 310.313 3.398 10 5 DGBERN CCO[C@H]1C[C@H](N(C)c2ncccc2[N+](=O)[O-])C12CCCC2 ZINC000156880662 432610418 /nfs/dbraw/zinc/61/04/18/432610418.db2.gz GKGYKVJBTSTILG-KBPBESRZSA-N 0 0 305.378 3.164 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc2ncccc21 ZINC000194762558 432574840 /nfs/dbraw/zinc/57/48/40/432574840.db2.gz MJIZWFQKZFGSKA-UHFFFAOYSA-N 0 0 308.297 3.099 10 5 DGBERN COc1ccc2c(c1)CCN2C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000194842723 432581081 /nfs/dbraw/zinc/58/10/81/432581081.db2.gz VRYYICPRJDYDCO-UHFFFAOYSA-N 0 0 312.325 3.115 10 5 DGBERN O=[N+]([O-])c1ncccc1OCc1ncc(-c2cccc(F)c2)o1 ZINC000177189641 432596165 /nfs/dbraw/zinc/59/61/65/432596165.db2.gz AZNPSTZYIJIKFK-UHFFFAOYSA-N 0 0 315.260 3.363 10 5 DGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1CCCCC1 ZINC000217591255 432656647 /nfs/dbraw/zinc/65/66/47/432656647.db2.gz GXWVJOQMZCAKBS-UHFFFAOYSA-N 0 0 307.350 3.305 10 5 DGBERN CC[C@@H](NC(=O)CCc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000177792490 432661936 /nfs/dbraw/zinc/66/19/36/432661936.db2.gz QXENFPNQLLNVNH-MRXNPFEDSA-N 0 0 313.357 3.190 10 5 DGBERN CC[C@@H](NC(=O)c1ccc(C)n1C)c1cccc([N+](=O)[O-])c1 ZINC000177812968 432664635 /nfs/dbraw/zinc/66/46/35/432664635.db2.gz GENBAQMUASGVFN-CQSZACIVSA-N 0 0 301.346 3.123 10 5 DGBERN Cc1ccc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)n1 ZINC000177838621 432667054 /nfs/dbraw/zinc/66/70/54/432667054.db2.gz QWHOPRXRLZIHCL-GFCCVEGCSA-N 0 0 313.357 3.406 10 5 DGBERN CCC[C@H](N[C@@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)OCC ZINC000178671939 432765209 /nfs/dbraw/zinc/76/52/09/432765209.db2.gz HUMRTKWAQXPCGI-GJZGRUSLSA-N 0 0 308.378 3.367 10 5 DGBERN COc1ccc(F)cc1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000189368890 432780582 /nfs/dbraw/zinc/78/05/82/432780582.db2.gz MAVFFKKKAFQDLS-UHFFFAOYSA-N 0 0 324.333 3.042 10 5 DGBERN O=[N+]([O-])c1ccc(OC[C@H](O)CC2CCCC2)c2cccnc21 ZINC000188648858 432737955 /nfs/dbraw/zinc/73/79/55/432737955.db2.gz UDZOFARZMFNRBI-CYBMUJFWSA-N 0 0 316.357 3.463 10 5 DGBERN C[C@@]12CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)C[C@@H]1C2(F)F ZINC000291981040 289227034 /nfs/dbraw/zinc/22/70/34/289227034.db2.gz PUEQLRNFGXXDGL-GXTWGEPZSA-N 0 0 309.316 3.044 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H](n3cccn3)C2)c2ncccc12 ZINC000301165309 433436416 /nfs/dbraw/zinc/43/64/16/433436416.db2.gz IJBSGUYLTINVRA-CYBMUJFWSA-N 0 0 323.356 3.181 10 5 DGBERN COc1cccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000361926107 433453721 /nfs/dbraw/zinc/45/37/21/433453721.db2.gz PWHIGHMERYSGHY-ZDUSSCGKSA-N 0 0 315.373 3.200 10 5 DGBERN O=[N+]([O-])c1ccc(NC[C@@H](O)C2CCCC2)c2ncccc12 ZINC000301300080 433498834 /nfs/dbraw/zinc/49/88/34/433498834.db2.gz UPSJVRLRKVOHGW-OAHLLOKOSA-N 0 0 301.346 3.106 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](OC)C(C)(C)C)c1 ZINC000301484473 433574982 /nfs/dbraw/zinc/57/49/82/433574982.db2.gz VKHODLWWKYVESF-GFCCVEGCSA-N 0 0 300.330 3.216 10 5 DGBERN CO[C@@H](C)c1nc(CN(C)c2ncc(C)cc2[N+](=O)[O-])cs1 ZINC000301568891 433615802 /nfs/dbraw/zinc/61/58/02/433615802.db2.gz QQTRMYZMYOSKEI-JTQLQIEISA-N 0 0 322.390 3.099 10 5 DGBERN COc1cccc(CCNc2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC000301641433 433654569 /nfs/dbraw/zinc/65/45/69/433654569.db2.gz YYVLBPZLEFDJSG-UHFFFAOYSA-N 0 0 320.320 3.406 10 5 DGBERN Cc1ccnc(N[C@H](C)c2cn(-c3ccccc3)nn2)c1[N+](=O)[O-] ZINC000301672230 433669407 /nfs/dbraw/zinc/66/94/07/433669407.db2.gz QUJJVSHEMWDHSH-GFCCVEGCSA-N 0 0 324.344 3.052 10 5 DGBERN COC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC000301696007 433684319 /nfs/dbraw/zinc/68/43/19/433684319.db2.gz YRGNIUGSYXAINF-AOOOYVTPSA-N 0 0 324.764 3.271 10 5 DGBERN O=[N+]([O-])c1cnc(N2CCCC23CCC3)c(Br)c1 ZINC000366799851 292990099 /nfs/dbraw/zinc/99/00/99/292990099.db2.gz UQSBXDLZBOZGOA-UHFFFAOYSA-N 0 0 312.167 3.275 10 5 DGBERN Cc1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000301759422 433710856 /nfs/dbraw/zinc/71/08/56/433710856.db2.gz BPRNSFVXQDLDSM-UHFFFAOYSA-N 0 0 313.342 3.030 10 5 DGBERN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H](c2ccco2)C1 ZINC000362588670 433774429 /nfs/dbraw/zinc/77/44/29/433774429.db2.gz MTVMDOQJMIWODZ-YPMHNXCESA-N 0 0 317.345 3.140 10 5 DGBERN CCNC(=O)c1ccc(CNc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000302822863 433873917 /nfs/dbraw/zinc/87/39/17/433873917.db2.gz TXZOHHOKMRJYGH-UHFFFAOYSA-N 0 0 317.320 3.096 10 5 DGBERN O=[N+]([O-])c1ccc(F)cc1NCc1ccc(N2CCCC2)nc1 ZINC000302824642 433874959 /nfs/dbraw/zinc/87/49/59/433874959.db2.gz XKNYYEUATHILLR-UHFFFAOYSA-N 0 0 316.336 3.341 10 5 DGBERN COc1cc(NC(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1O ZINC000436257146 433916285 /nfs/dbraw/zinc/91/62/85/433916285.db2.gz DEMPQYOCZCEULI-UHFFFAOYSA-N 0 0 317.301 3.261 10 5 DGBERN CN(Cc1ccc2c(c1)OCO2)c1cc(F)ccc1[N+](=O)[O-] ZINC000302861739 433885622 /nfs/dbraw/zinc/88/56/22/433885622.db2.gz QIPYKMXMOFQYBK-UHFFFAOYSA-N 0 0 304.277 3.099 10 5 DGBERN C[C@]12CCN(c3ncc([N+](=O)[O-])cc3Cl)C[C@H]1C2(F)F ZINC000514983901 294530264 /nfs/dbraw/zinc/53/02/64/294530264.db2.gz NJDGXJMIVQJRCT-KOLCDFICSA-N 0 0 303.696 3.125 10 5 DGBERN COc1cc(C(=O)N(C)C[C@H]2CC=CCC2)c([N+](=O)[O-])cc1F ZINC000450561621 434265855 /nfs/dbraw/zinc/26/58/55/434265855.db2.gz RMBSJKGWGYFCMK-NSHDSACASA-N 0 0 322.336 3.171 10 5 DGBERN Cc1nn(Cc2nnc(C3CC3)s2)c2ccc([N+](=O)[O-])cc12 ZINC000450889189 434464858 /nfs/dbraw/zinc/46/48/58/434464858.db2.gz PWUBCFYBKJCBMM-UHFFFAOYSA-N 0 0 315.358 3.030 10 5 DGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@]2(CCCOC2)C1 ZINC000360992069 434756666 /nfs/dbraw/zinc/75/66/66/434756666.db2.gz YQFIUNVISAYDQI-KRWDZBQOSA-N 0 0 318.373 3.194 10 5 DGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000361046871 434777696 /nfs/dbraw/zinc/77/76/96/434777696.db2.gz STIMMOBBAZGHJO-GDBMZVCRSA-N 0 0 320.389 3.031 10 5 DGBERN Cc1cc(NC[C@H](CO)C2CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461869381 434889856 /nfs/dbraw/zinc/88/98/56/434889856.db2.gz XZBJLFSUKHHRHI-SNVBAGLBSA-N 0 0 318.295 3.352 10 5 DGBERN CC(=O)c1cc(OC(F)(F)F)cc([N+](=O)[O-])c1OC(F)F ZINC000575666143 435040645 /nfs/dbraw/zinc/04/06/45/435040645.db2.gz GUPCOLPOPOJVID-UHFFFAOYSA-N 0 0 315.150 3.297 10 5 DGBERN CC(=O)c1cc([N+](=O)[O-])c(OC(F)F)cc1Br ZINC000575684377 435044220 /nfs/dbraw/zinc/04/42/20/435044220.db2.gz UYGXQFOJRAZMHJ-UHFFFAOYSA-N 0 0 310.050 3.161 10 5 DGBERN CCOC(=O)c1cc([N+](=O)[O-])cc(CC)c1Br ZINC000575698869 435046254 /nfs/dbraw/zinc/04/62/54/435046254.db2.gz CBALYLCAMFKZJL-UHFFFAOYSA-N 0 0 302.124 3.096 10 5 DGBERN CCOC(=O)c1c(CC)cc(Br)cc1[N+](=O)[O-] ZINC000575699808 435047868 /nfs/dbraw/zinc/04/78/68/435047868.db2.gz MSCBGRLKSPUKAF-UHFFFAOYSA-N 0 0 302.124 3.096 10 5 DGBERN CCOC(=O)Cc1cc(Cl)cc([N+](=O)[O-])c1Br ZINC000575700679 435048127 /nfs/dbraw/zinc/04/81/27/435048127.db2.gz VTFSLJCCRZRXRL-UHFFFAOYSA-N 0 0 322.542 3.116 10 5 DGBERN CCC(=O)c1ccc(Nc2ccc(N(C)C)nc2)c([N+](=O)[O-])c1 ZINC000479938674 435359601 /nfs/dbraw/zinc/35/96/01/435359601.db2.gz HIUCRJLJBAFYJO-UHFFFAOYSA-N 0 0 314.345 3.392 10 5 DGBERN CC[C@@H](C)NC(=O)c1ccc(Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC000569528141 435538888 /nfs/dbraw/zinc/53/88/88/435538888.db2.gz IFAOAVGMLDTNSX-LLVKDONJSA-N 0 0 314.345 3.262 10 5 DGBERN CC[C@H]1CCC[C@H]1Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000571293507 435695810 /nfs/dbraw/zinc/69/58/10/435695810.db2.gz PAWHGJXCDPFZQO-CMPLNLGQSA-N 0 0 307.350 3.075 10 5 DGBERN CCC(C)(C)[C@H]1CCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000133975137 312680460 /nfs/dbraw/zinc/68/04/60/312680460.db2.gz OXEPLDMHCSTABB-OAHLLOKOSA-N 0 0 320.389 3.401 10 5 DGBERN C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC(C)(C)O1 ZINC000570142925 315627406 /nfs/dbraw/zinc/62/74/06/315627406.db2.gz YXAOVWPCDCURLJ-LLVKDONJSA-N 0 0 301.346 3.147 10 5 DGBERN COCCN(Cc1ccc(C)o1)Cc1ccc([N+](=O)[O-])cc1C ZINC000183372975 323335715 /nfs/dbraw/zinc/33/57/15/323335715.db2.gz TZCCYPNDNAUIRZ-UHFFFAOYSA-N 0 0 318.373 3.453 10 5 DGBERN O=[N+]([O-])c1ccc(CCNc2cc(CO)ccc2Cl)cc1 ZINC000184432149 323364309 /nfs/dbraw/zinc/36/43/09/323364309.db2.gz DJGLHLQPBRENOR-UHFFFAOYSA-N 0 0 306.749 3.395 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](C(F)(F)F)C1 ZINC000194226177 323473147 /nfs/dbraw/zinc/47/31/47/323473147.db2.gz UQHYBZTUXYINRM-MRVPVSSYSA-N 0 0 320.242 3.148 10 5 DGBERN O=[N+]([O-])c1ccc(NCCc2ccccc2Br)cn1 ZINC000580797676 324039967 /nfs/dbraw/zinc/03/99/67/324039967.db2.gz FNUDFMKCYLLGLM-UHFFFAOYSA-N 0 0 322.162 3.407 10 5 DGBERN COC(=O)[C@@H](C)c1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000584595673 337374124 /nfs/dbraw/zinc/37/41/24/337374124.db2.gz XMEHVOKTMYHGOZ-JTQLQIEISA-N 0 0 301.302 3.010 10 5 DGBERN C[C@@H](C[C@H](O)c1cccs1)Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302073974 534207979 /nfs/dbraw/zinc/20/79/79/534207979.db2.gz WZIFGSVLLKQVFX-HZMBPMFUSA-N 0 0 322.386 3.073 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC(C)(C)OC2(C)C)c1 ZINC000302133987 534246730 /nfs/dbraw/zinc/24/67/30/534246730.db2.gz CRMCQQRAZMKGAA-ZDUSSCGKSA-N 0 0 322.361 3.139 10 5 DGBERN COC(=O)c1cnc(N2CCC[C@@H]2CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000302782908 534306503 /nfs/dbraw/zinc/30/65/03/534306503.db2.gz SYARNXOCLYIRHK-GFCCVEGCSA-N 0 0 321.377 3.181 10 5 DGBERN C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])c1cn[nH]c1 ZINC000229871701 525701222 /nfs/dbraw/zinc/70/12/22/525701222.db2.gz HFOVSQDMLGOPGO-SSDOTTSWSA-N 0 0 311.139 3.254 10 5 DGBERN CC(C)CC[C@H]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301971750 527854740 /nfs/dbraw/zinc/85/47/40/527854740.db2.gz SQBVWMTWTSTVDV-CYBMUJFWSA-N 0 0 317.393 3.290 10 5 DGBERN CC1(CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)OCCO1 ZINC000302137525 527928226 /nfs/dbraw/zinc/92/82/26/527928226.db2.gz BWRBWMIVPJHZQQ-UHFFFAOYSA-N 0 0 320.267 3.179 10 5 DGBERN CCOc1ccc(C(=O)N2CCC(C)=C(C)C2)cc1[N+](=O)[O-] ZINC000435138718 528390790 /nfs/dbraw/zinc/39/07/90/528390790.db2.gz LFZCPIXMMWVBDS-UHFFFAOYSA-N 0 0 304.346 3.176 10 5 DGBERN CC(F)(F)CCCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000295013126 528725433 /nfs/dbraw/zinc/72/54/33/528725433.db2.gz TYQQVNFUOSTYFQ-UHFFFAOYSA-N 0 0 302.306 3.447 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2C(C)(C)C)n1 ZINC000191453554 529154363 /nfs/dbraw/zinc/15/43/63/529154363.db2.gz OSRCAUDDKJDVQU-UHFFFAOYSA-N 0 0 316.361 3.361 10 5 DGBERN CCCCCCOCC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000730745118 574535065 /nfs/dbraw/zinc/53/50/65/574535065.db2.gz CQIKVKVVQMPAFG-UHFFFAOYSA-N 0 0 308.378 3.150 10 5 DGBERN O=[N+]([O-])c1ccc(Nc2ccc(N3CCCC3)c(F)c2)cn1 ZINC000735486931 574703579 /nfs/dbraw/zinc/70/35/79/574703579.db2.gz LYPYMLLJQYYGLV-UHFFFAOYSA-N 0 0 302.309 3.473 10 5 DGBERN CC(C)(C)c1ccc([C@@H](O)CNc2ccc([N+](=O)[O-])nc2)cc1 ZINC000735487537 574703750 /nfs/dbraw/zinc/70/37/50/574703750.db2.gz MUQOFILHJIDALP-HNNXBMFYSA-N 0 0 315.373 3.433 10 5 DGBERN Cc1csc([C@H](C)NC(=S)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000727658978 576137561 /nfs/dbraw/zinc/13/75/61/576137561.db2.gz LJBUACYWBXWSKK-VIFPVBQESA-N 0 0 322.415 3.407 10 5 DGBERN CC[C@@H](NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])c1nccs1 ZINC000150785517 620397890 /nfs/dbraw/zinc/39/78/90/620397890.db2.gz KNYZYOQHGDTKJG-LLVKDONJSA-N 0 0 323.349 3.380 10 5 DGBERN COCc1ccccc1C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000151275782 620434971 /nfs/dbraw/zinc/43/49/71/620434971.db2.gz ONGNIRKTQSIDNH-UHFFFAOYSA-N 0 0 315.325 3.141 10 5 DGBERN CC(C)CCO[C@@H](C)C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000151272949 620434982 /nfs/dbraw/zinc/43/49/82/620434982.db2.gz IUJBUQKQJYKALZ-ZDUSSCGKSA-N 0 0 309.362 3.132 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1NCCCNC(=O)OC(C)(C)C ZINC000223244166 620507136 /nfs/dbraw/zinc/50/71/36/620507136.db2.gz ARGGIYDDRINFDH-UHFFFAOYSA-N 0 0 309.366 3.230 10 5 DGBERN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)C1CCCC1 ZINC000119634967 621706791 /nfs/dbraw/zinc/70/67/91/621706791.db2.gz VCWBGRXPXIVJMA-UHFFFAOYSA-N 0 0 313.151 3.486 10 5 DGBERN C[C@@H](OC(=O)c1cnn2c1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000125671213 623510029 /nfs/dbraw/zinc/51/00/29/623510029.db2.gz OUEHSCPQRYIPDE-LLVKDONJSA-N 0 0 315.329 3.046 10 5 DGBERN CSCCCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000126350295 623792247 /nfs/dbraw/zinc/79/22/47/623792247.db2.gz CJCOKIGGXITPIQ-UHFFFAOYSA-N 0 0 302.783 3.121 10 5 DGBERN O=C(CCCc1ccccn1)OCCc1ccccc1[N+](=O)[O-] ZINC000133690270 626833356 /nfs/dbraw/zinc/83/33/56/626833356.db2.gz MBCMOKYGEGADTQ-UHFFFAOYSA-N 0 0 314.341 3.098 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1ccccc1F ZINC000194023368 659733399 /nfs/dbraw/zinc/73/33/99/659733399.db2.gz YSYGCNKZWIVZDJ-SNVBAGLBSA-N 0 0 304.277 3.355 10 5 DGBERN CCc1nnc(COc2cc(F)c(Cl)cc2[N+](=O)[O-])s1 ZINC000702754416 660738644 /nfs/dbraw/zinc/73/86/44/660738644.db2.gz OFSYAXJEPAXUEF-UHFFFAOYSA-N 0 0 317.729 3.380 10 5 DGBERN CCc1nnsc1C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084808821 655761050 /nfs/dbraw/zinc/76/10/50/655761050.db2.gz IDGQYBCSFJIRKF-SECBINFHSA-N 0 0 321.358 3.235 10 5 DGBERN Cc1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000255549602 655794408 /nfs/dbraw/zinc/79/44/08/655794408.db2.gz NOAKAHFIPADGOY-KTKRTIGZSA-N 0 0 318.354 3.316 10 5 DGBERN Cc1ccc(CN2CCC=C(Br)C2)cc1[N+](=O)[O-] ZINC000714045092 661196047 /nfs/dbraw/zinc/19/60/47/661196047.db2.gz HNOOHYDVDCJGIT-UHFFFAOYSA-N 0 0 311.179 3.388 10 5 DGBERN O=C(/C=C\c1ccnc(Cl)c1)OCc1cccc([N+](=O)[O-])c1 ZINC000255831268 655908432 /nfs/dbraw/zinc/90/84/32/655908432.db2.gz JMUQQZNWKBQKQR-PLNGDYQASA-N 0 0 318.716 3.400 10 5 DGBERN O=[N+]([O-])c1ccc(F)cc1CN1CCO[C@@H](c2cccs2)C1 ZINC000177759068 655945983 /nfs/dbraw/zinc/94/59/83/655945983.db2.gz ZKYYDSBATWKZGE-CQSZACIVSA-N 0 0 322.361 3.369 10 5 DGBERN CC[C@H](CSC)Nc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000180938234 655970769 /nfs/dbraw/zinc/97/07/69/655970769.db2.gz LSXGDJRPDQRZAY-XYLWRLHESA-N 0 0 324.402 3.335 10 5 DGBERN Cc1nn(C)c(Cl)c1C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000066878779 656300501 /nfs/dbraw/zinc/30/05/01/656300501.db2.gz NSTVORHDQXWZRL-SECBINFHSA-N 0 0 323.736 3.208 10 5 DGBERN O=C(NCCc1ccsc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000013698203 657936759 /nfs/dbraw/zinc/93/67/59/657936759.db2.gz ZFNHAZDESKLTCA-UHFFFAOYSA-N 0 0 310.762 3.282 10 5 DGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC(F)(F)F ZINC000058999455 659124335 /nfs/dbraw/zinc/12/43/35/659124335.db2.gz KQPWOZBRBMDSDZ-ZETCQYMHSA-N 0 0 309.265 3.181 10 5 DGBERN O=[N+]([O-])c1ccc(Cl)cc1N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000228430501 659191136 /nfs/dbraw/zinc/19/11/36/659191136.db2.gz BFUBCPSEQDCZNE-XHDPSFHLSA-N 0 0 310.781 3.380 10 5 DGBERN Cc1sc(C(=O)N2CCc3c(C)cccc3C2)cc1[N+](=O)[O-] ZINC000171541783 659286364 /nfs/dbraw/zinc/28/63/64/659286364.db2.gz NQTSBVWZYNAXGK-UHFFFAOYSA-N 0 0 316.382 3.472 10 5 DGBERN C[C@H](OC(=O)CCc1cscn1)c1ccc([N+](=O)[O-])cc1 ZINC000172023903 659310734 /nfs/dbraw/zinc/31/07/34/659310734.db2.gz KFSMVHRBDBXAMU-JTQLQIEISA-N 0 0 306.343 3.288 10 5 DGBERN CCNC(=O)c1ccc(OCc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000172216051 659323283 /nfs/dbraw/zinc/32/32/83/659323283.db2.gz FRBGMQOPVUBDEX-UHFFFAOYSA-N 0 0 318.304 3.063 10 5 DGBERN CC(C)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000172579775 659345389 /nfs/dbraw/zinc/34/53/89/659345389.db2.gz GMODPSILGHOBON-CYBMUJFWSA-N 0 0 319.405 3.217 10 5 DGBERN CCc1ccc(OC(=O)CC[C@@H]2CC[C@H](C)O2)c([N+](=O)[O-])c1 ZINC000174337473 659428378 /nfs/dbraw/zinc/42/83/78/659428378.db2.gz YQUMQQQHWSRNQU-AAEUAGOBSA-N 0 0 307.346 3.410 10 5 DGBERN CO[C@@H](C)CCOC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000174811405 659715084 /nfs/dbraw/zinc/71/50/84/659715084.db2.gz AWGDCXATGDXQPE-QMMMGPOBSA-N 0 0 321.251 3.195 10 5 DGBERN O=[N+]([O-])c1ccccc1OS(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000175177723 659916981 /nfs/dbraw/zinc/91/69/81/659916981.db2.gz LEPXISUQDMKQSB-MDZDMXLPSA-N 0 0 323.301 3.113 10 5 DGBERN C[C@@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000175297718 659918560 /nfs/dbraw/zinc/91/85/60/659918560.db2.gz GHWHRKRPJQTYKF-DGCLKSJQSA-N 0 0 321.373 3.474 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)o1 ZINC000069725329 660017580 /nfs/dbraw/zinc/01/75/80/660017580.db2.gz CDPRXDBCLJXEFN-NSHDSACASA-N 0 0 317.345 3.053 10 5 DGBERN CN(Cc1csc([N+](=O)[O-])c1)Cc1ccccc1[N+](=O)[O-] ZINC000047266039 661874084 /nfs/dbraw/zinc/87/40/84/661874084.db2.gz NXMAXAOVGNOIFB-UHFFFAOYSA-N 0 0 307.331 3.197 10 5 DGBERN Cc1nc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc(C2CC2)n1 ZINC000159865610 661896831 /nfs/dbraw/zinc/89/68/31/661896831.db2.gz YYLGZYRKPYKQCQ-RUDMXATFSA-N 0 0 324.340 3.223 10 5 DGBERN CN(Cc1ccc(Cl)nc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000080915293 662155674 /nfs/dbraw/zinc/15/56/74/662155674.db2.gz FRVPRCNPFSMETJ-UHFFFAOYSA-N 0 0 309.728 3.414 10 5 DGBERN O=C(OCc1ccoc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000194203366 662160320 /nfs/dbraw/zinc/16/03/20/662160320.db2.gz VAYJZGWPKMQEHH-UHFFFAOYSA-N 0 0 316.313 3.145 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Oc1ccc(Cl)cc1F ZINC000195142943 662179153 /nfs/dbraw/zinc/17/91/53/662179153.db2.gz RENNWBJYMFHKRP-UHFFFAOYSA-N 0 0 310.668 3.310 10 5 DGBERN CO[C@H]1CCC[C@H](OC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087023305 662222390 /nfs/dbraw/zinc/22/23/90/662222390.db2.gz YXHAADAYDMPXOZ-GJZGRUSLSA-N 0 0 307.346 3.028 10 5 DGBERN C[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000050699213 1194612302 /nfs/dbraw/zinc/61/23/02/1194612302.db2.gz PMDJSUBGSYPJNQ-KWQFWETISA-N 0 0 311.769 3.139 10 5 DGBERN C[C@H](Cc1ccsc1)N(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000081402567 1197215362 /nfs/dbraw/zinc/21/53/62/1197215362.db2.gz PVRSKSYQVVXBSJ-LLVKDONJSA-N 0 0 304.371 3.360 10 5 DGBERN COc1ccc([C@@H]2C[C@H]2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000096584094 1198975784 /nfs/dbraw/zinc/97/57/84/1198975784.db2.gz YZAGVARFLJWRFJ-JKSUJKDBSA-N 0 0 312.325 3.346 10 5 DGBERN Cn1cc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000096620848 1198984820 /nfs/dbraw/zinc/98/48/20/1198984820.db2.gz HLLICWAUTUHSQH-UHFFFAOYSA-N 0 0 323.352 3.059 10 5 DGBERN O=[N+]([O-])c1cnccc1NCCc1cccc(Br)c1 ZINC000313700767 1199773101 /nfs/dbraw/zinc/77/31/01/1199773101.db2.gz JPSYLFRKUPZUFN-UHFFFAOYSA-N 0 0 322.162 3.407 10 5 DGBERN Cn1cc([N+](=O)[O-])c(Oc2ccc(Br)c(F)c2)n1 ZINC000231666285 1202599889 /nfs/dbraw/zinc/59/98/89/1202599889.db2.gz OICRMMWHUJQIIU-UHFFFAOYSA-N 0 0 316.086 3.022 10 5 DGBERN O=[N+]([O-])c1ccc(Cl)c(OCc2ccc(Cl)nn2)c1 ZINC000167311279 1203818388 /nfs/dbraw/zinc/81/83/88/1203818388.db2.gz UUGXOCYUNAEDQG-UHFFFAOYSA-N 0 0 300.101 3.271 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C2CC2)CC1 ZINC000588441015 1082285055 /nfs/dbraw/zinc/28/50/55/1082285055.db2.gz SKDIJRBOGDRBIB-BENRWUELSA-N 0 0 300.358 3.305 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000588444543 1082289304 /nfs/dbraw/zinc/28/93/04/1082289304.db2.gz LTPLYCKUUZMRTE-KIWPFMIBSA-N 0 0 318.373 3.024 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@H]1CCC(C)(C)O1 ZINC000588586990 1082777430 /nfs/dbraw/zinc/77/74/30/1082777430.db2.gz UDYDYPZIDSVKLG-WQTVUKCASA-N 0 0 319.357 3.499 10 5 DGBERN O=[N+]([O-])c1c(F)cccc1N1CCC=C(Br)C1 ZINC000404158949 1094231550 /nfs/dbraw/zinc/23/15/50/1094231550.db2.gz RDYJYJJDZDRKPB-UHFFFAOYSA-N 0 0 301.115 3.223 10 5 DGBERN CC(C)(NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(C)(F)F ZINC000407231711 1094801562 /nfs/dbraw/zinc/80/15/62/1094801562.db2.gz VAHLRCVDMRRSPG-UHFFFAOYSA-N 0 0 306.696 3.412 10 5 DGBERN Cc1cc(COC(=O)[C@@H](C)c2cccnc2)ccc1[N+](=O)[O-] ZINC000181295421 199278269 /nfs/dbraw/zinc/27/82/69/199278269.db2.gz CTCBTCHNJVTDHH-LBPRGKRZSA-N 0 0 300.314 3.145 10 5 DGBERN CNC(=O)c1cc(Cl)ccc1NCc1ccc([N+](=O)[O-])cc1 ZINC000079159775 185160872 /nfs/dbraw/zinc/16/08/72/185160872.db2.gz QXVYYIAOZCVSSC-UHFFFAOYSA-N 0 0 319.748 3.220 10 5 DGBERN Cc1cccc2[nH]cc(CCNC(=O)c3ccc([N+](=O)[O-])cc3)c21 ZINC000103129735 432004281 /nfs/dbraw/zinc/00/42/81/432004281.db2.gz XPERCERAMZRDTO-UHFFFAOYSA-N 0 0 323.352 3.357 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnc2ccccc2n1 ZINC000083057904 185212132 /nfs/dbraw/zinc/21/21/32/185212132.db2.gz YPBWKVKEGLJVRZ-UHFFFAOYSA-N 0 0 308.297 3.099 10 5 DGBERN Cc1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1[N+](=O)[O-] ZINC000090367223 185293152 /nfs/dbraw/zinc/29/31/52/185293152.db2.gz HCGWHGJYRJCSHD-UHFFFAOYSA-N 0 0 316.338 3.095 10 5 DGBERN COC(=O)c1cc(F)ccc1COc1ccccc1[N+](=O)[O-] ZINC000103349310 432007009 /nfs/dbraw/zinc/00/70/09/432007009.db2.gz WUVGYSVKWRPVBF-UHFFFAOYSA-N 0 0 305.261 3.100 10 5 DGBERN CN(Cc1nc(C2CCCC2)no1)Cc1ccccc1[N+](=O)[O-] ZINC000178576248 530022319 /nfs/dbraw/zinc/02/23/19/530022319.db2.gz LHCROIKQFQUNOZ-UHFFFAOYSA-N 0 0 316.361 3.267 10 5 DGBERN COC(=O)CCCCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000067807135 190723972 /nfs/dbraw/zinc/72/39/72/190723972.db2.gz GVUFIDMXYYVEPQ-UHFFFAOYSA-N 0 0 317.345 3.288 10 5 DGBERN CCCCN([C@@H](C)CC)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066327840 432015521 /nfs/dbraw/zinc/01/55/21/432015521.db2.gz SKHCLAVMUBSADY-JTQLQIEISA-N 0 0 320.436 3.246 10 5 DGBERN Cn1cc(C2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cn1 ZINC000264680379 282630825 /nfs/dbraw/zinc/63/08/25/282630825.db2.gz UFQQLRPCIWYGEL-UHFFFAOYSA-N 0 0 320.780 3.366 10 5 DGBERN CC(C)(C)OC(=O)Nc1ccc(Br)c([N+](=O)[O-])n1 ZINC000072187996 191073788 /nfs/dbraw/zinc/07/37/88/191073788.db2.gz PSMKEFBZOUIMJQ-UHFFFAOYSA-N 0 0 318.127 3.099 10 5 DGBERN Cc1sc(C(=O)N[C@H](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000152626514 186091251 /nfs/dbraw/zinc/09/12/51/186091251.db2.gz VQIYXWSSFQVEFF-SECBINFHSA-N 0 0 320.370 3.031 10 5 DGBERN Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000130453188 432025770 /nfs/dbraw/zinc/02/57/70/432025770.db2.gz CIAJMFXBDWOPPL-SNVBAGLBSA-N 0 0 303.366 3.423 10 5 DGBERN COC(=O)c1cc(N2Cc3ccccc3C2)cc(C)c1[N+](=O)[O-] ZINC000130619147 432027068 /nfs/dbraw/zinc/02/70/68/432027068.db2.gz PRDFUZZPEVGYNA-UHFFFAOYSA-N 0 0 312.325 3.210 10 5 DGBERN CC(C)CC[C@@H](C)Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000302755036 186741005 /nfs/dbraw/zinc/74/10/05/186741005.db2.gz VNUNKYNUWPOOPM-LLVKDONJSA-N 0 0 314.407 3.235 10 5 DGBERN Cc1cc(C)cc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000107168354 432028467 /nfs/dbraw/zinc/02/84/67/432028467.db2.gz JWZHMDBTAKIQDL-GFCCVEGCSA-N 0 0 313.357 3.406 10 5 DGBERN CCN(C(=O)CSc1ncccc1[N+](=O)[O-])C1CCCCC1 ZINC000067648413 432033851 /nfs/dbraw/zinc/03/38/51/432033851.db2.gz OGKLIPVVEVDYLY-UHFFFAOYSA-N 0 0 323.418 3.263 10 5 DGBERN CC[C@@H](NC(=O)OCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000175187901 198440919 /nfs/dbraw/zinc/44/09/19/198440919.db2.gz WTRZIQINLGFLOH-SNVBAGLBSA-N 0 0 306.240 3.334 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCO[C@H]1C(C)C ZINC000177967880 198795514 /nfs/dbraw/zinc/79/55/14/198795514.db2.gz WDPJQMQDHKACOR-BBRMVZONSA-N 0 0 320.389 3.084 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCO[C@H]1CC(C)C ZINC000184764660 199761401 /nfs/dbraw/zinc/76/14/01/199761401.db2.gz SVLVZDBNHSOPOJ-HOTGVXAUSA-N 0 0 320.389 3.227 10 5 DGBERN COCc1ccsc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000179909725 432073649 /nfs/dbraw/zinc/07/36/49/432073649.db2.gz XPLKKGFEHXFGBV-UHFFFAOYSA-N 0 0 306.343 3.363 10 5 DGBERN Cc1nc([C@H]2CCCN2C(=O)c2csc([N+](=O)[O-])c2)cs1 ZINC000187018587 200048487 /nfs/dbraw/zinc/04/84/87/200048487.db2.gz NNBVZFJXZQJENH-LLVKDONJSA-N 0 0 323.399 3.399 10 5 DGBERN COc1cc([N+](=O)[O-])c(C(=O)N2CCCC2(C)C)cc1SC ZINC000187287392 200089576 /nfs/dbraw/zinc/08/95/76/200089576.db2.gz UKEMKVHVOZVUNA-UHFFFAOYSA-N 0 0 324.402 3.340 10 5 DGBERN CCc1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000188264399 200218942 /nfs/dbraw/zinc/21/89/42/200218942.db2.gz HPUOKINQUNSORG-DMDPSCGWSA-N 0 0 322.409 3.071 10 5 DGBERN COc1cc(C(=O)N[C@H](C)c2cccs2)cc([N+](=O)[O-])c1C ZINC000190636252 200567688 /nfs/dbraw/zinc/56/76/88/200567688.db2.gz QOFNRFTXCCDVGN-SNVBAGLBSA-N 0 0 320.370 3.464 10 5 DGBERN CC(C)COC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000056345922 283629027 /nfs/dbraw/zinc/62/90/27/283629027.db2.gz XBVJQHSZGMYWPC-UHFFFAOYSA-N 0 0 321.377 3.264 10 5 DGBERN CCCCc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)n[nH]1 ZINC000064079166 283676143 /nfs/dbraw/zinc/67/61/43/283676143.db2.gz VKBPEOYEMLRAOM-UHFFFAOYSA-N 0 0 308.363 3.283 10 5 DGBERN Cc1sc(C(=O)Nc2cc([C@H]3C[C@H]3C)[nH]n2)cc1[N+](=O)[O-] ZINC000194555906 201251463 /nfs/dbraw/zinc/25/14/63/201251463.db2.gz CAHUCPHKCMKZLT-SVRRBLITSA-N 0 0 306.347 3.064 10 5 DGBERN COCc1ccsc1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180774731 432100802 /nfs/dbraw/zinc/10/08/02/432100802.db2.gz JQNOESANZQQQFJ-SNVBAGLBSA-N 0 0 320.370 3.294 10 5 DGBERN Cc1sc(C(=O)Nc2ccc3c[nH]nc3c2)cc1[N+](=O)[O-] ZINC000073719062 283779660 /nfs/dbraw/zinc/77/96/60/283779660.db2.gz VEQMZARVKJSIIJ-UHFFFAOYSA-N 0 0 302.315 3.093 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)c1cccc2ncccc21 ZINC000089843635 283968696 /nfs/dbraw/zinc/96/86/96/283968696.db2.gz UTZCMNVHQKEGBZ-UHFFFAOYSA-N 0 0 322.324 3.123 10 5 DGBERN COC(=O)c1cc(F)ccc1COc1ccc(F)cc1[N+](=O)[O-] ZINC000103350330 284028223 /nfs/dbraw/zinc/02/82/23/284028223.db2.gz XTPLXPMNKKNWQR-UHFFFAOYSA-N 0 0 323.251 3.239 10 5 DGBERN Cc1ccc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)s1 ZINC000103374886 284028880 /nfs/dbraw/zinc/02/88/80/284028880.db2.gz WNZWOYCVOQWWTL-SNVBAGLBSA-N 0 0 316.382 3.485 10 5 DGBERN Cc1ccc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000110441955 284072635 /nfs/dbraw/zinc/07/26/35/284072635.db2.gz FJUWZAHLCGHNLD-HOTGVXAUSA-N 0 0 310.353 3.437 10 5 DGBERN C[C@H](Cc1ccccc1)C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000112002416 284083741 /nfs/dbraw/zinc/08/37/41/284083741.db2.gz WDRMNNCQFIXLCZ-CYBMUJFWSA-N 0 0 310.353 3.363 10 5 DGBERN C[C@H](Sc1nnc(C2CC2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000007172482 181443547 /nfs/dbraw/zinc/44/35/47/181443547.db2.gz ATNRGMQNYHTADN-VIFPVBQESA-N 0 0 304.375 3.454 10 5 DGBERN COc1cc(F)cc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000094097051 193345131 /nfs/dbraw/zinc/34/51/31/193345131.db2.gz ASTAOKDRFGDRRG-UHFFFAOYSA-N 0 0 324.333 3.042 10 5 DGBERN CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000121189936 284190340 /nfs/dbraw/zinc/19/03/40/284190340.db2.gz PPJQLODGPYCIRE-NSHDSACASA-N 0 0 306.347 3.324 10 5 DGBERN C[C@H](Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1ccccc1 ZINC000122034802 284211726 /nfs/dbraw/zinc/21/17/26/284211726.db2.gz NFCLLBKBGZJVSU-GFCCVEGCSA-N 0 0 309.325 3.108 10 5 DGBERN O=[N+]([O-])c1ccc(NC[C@H](CO)c2ccccc2)c2ccncc21 ZINC000487636693 245086568 /nfs/dbraw/zinc/08/65/68/245086568.db2.gz GOTKLICUAHPHAY-CQSZACIVSA-N 0 0 323.352 3.331 10 5 DGBERN O=[N+]([O-])c1ccc(NC[C@H]2SCCc3ccccc32)cn1 ZINC000487659649 245088734 /nfs/dbraw/zinc/08/87/34/245088734.db2.gz MGPQSLSLIURTLD-CQSZACIVSA-N 0 0 301.371 3.432 10 5 DGBERN COC[C@H](C)Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000008178019 181532804 /nfs/dbraw/zinc/53/28/04/181532804.db2.gz QVPYNPOXKPBTTB-LBPRGKRZSA-N 0 0 314.341 3.273 10 5 DGBERN CCOC(=O)c1cc(NCCCCSC)ccc1[N+](=O)[O-] ZINC000126895811 284320280 /nfs/dbraw/zinc/32/02/80/284320280.db2.gz WCDBYGNYLCUJBJ-UHFFFAOYSA-N 0 0 312.391 3.327 10 5 DGBERN O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H](CNc2ccccn2)C1 ZINC000171365121 432126160 /nfs/dbraw/zinc/12/61/60/432126160.db2.gz BNBPTEBPQOZGKU-LBPRGKRZSA-N 0 0 316.336 3.067 10 5 DGBERN O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[C@@H]2O)c2ncccc12 ZINC000265812434 204894710 /nfs/dbraw/zinc/89/47/10/204894710.db2.gz FYBOTTNRTZNULF-NHYWBVRUSA-N 0 0 301.346 3.106 10 5 DGBERN CCC(CC)(CCO)CNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000127434604 284339895 /nfs/dbraw/zinc/33/98/95/284339895.db2.gz YVMMBPKFDVBUQB-UHFFFAOYSA-N 0 0 314.357 3.343 10 5 DGBERN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCCC1 ZINC000015682777 182012476 /nfs/dbraw/zinc/01/24/76/182012476.db2.gz SIZRAPVMSLDLHW-LBPRGKRZSA-N 0 0 306.362 3.201 10 5 DGBERN COc1ccc(C)cc1[C@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000015818289 182019218 /nfs/dbraw/zinc/01/92/18/182019218.db2.gz FKEWXZYEGXUWNN-LBPRGKRZSA-N 0 0 314.341 3.403 10 5 DGBERN CCCCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)O ZINC000097975836 193771422 /nfs/dbraw/zinc/77/14/22/193771422.db2.gz FYPCGBQHFCQEEE-DOMZBBRYSA-N 0 0 308.378 3.044 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@]2(C)CCCS2)c1 ZINC000136307974 284500172 /nfs/dbraw/zinc/50/01/72/284500172.db2.gz GULKXADJOUOELS-AWEZNQCLSA-N 0 0 310.375 3.079 10 5 DGBERN COC(=O)c1cc(N2CC[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000301576360 284531661 /nfs/dbraw/zinc/53/16/61/284531661.db2.gz NSLXOUYDSNLPOX-SMDDNHRTSA-N 0 0 304.346 3.150 10 5 DGBERN CC(C)Oc1ncnc(Nc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000040659675 183114844 /nfs/dbraw/zinc/11/48/44/183114844.db2.gz UWASTSXZICHKRL-UHFFFAOYSA-N 0 0 310.260 3.194 10 5 DGBERN CCc1ccc(Nc2ncnc(N3CCCC3)c2[N+](=O)[O-])cc1 ZINC000040587227 183105714 /nfs/dbraw/zinc/10/57/14/183105714.db2.gz HXIHXPRJHGCTFD-UHFFFAOYSA-N 0 0 313.361 3.291 10 5 DGBERN CNc1ncnc(Oc2cccc3ccc(C)nc32)c1[N+](=O)[O-] ZINC000040595626 183106426 /nfs/dbraw/zinc/10/64/26/183106426.db2.gz XGXAYXYWCUGDBC-UHFFFAOYSA-N 0 0 311.301 3.075 10 5 DGBERN CC(C)Nc1ncnc(Nc2cccc3ncccc32)c1[N+](=O)[O-] ZINC000040597700 183107400 /nfs/dbraw/zinc/10/74/00/183107400.db2.gz SZFKHWVHCJBDBS-UHFFFAOYSA-N 0 0 324.344 3.497 10 5 DGBERN CC(C)Nc1ncnc(Nc2cccc3cccnc32)c1[N+](=O)[O-] ZINC000040597441 183107522 /nfs/dbraw/zinc/10/75/22/183107522.db2.gz AWSBFUIZVCZGNR-UHFFFAOYSA-N 0 0 324.344 3.497 10 5 DGBERN O=[N+]([O-])c1c(NCc2ccccc2)ncnc1Oc1cccnc1 ZINC000040599544 183107814 /nfs/dbraw/zinc/10/78/14/183107814.db2.gz LGQDAPURHUURCT-UHFFFAOYSA-N 0 0 323.312 3.184 10 5 DGBERN Cc1cccc(Nc2ncnc(N3CCCC3)c2[N+](=O)[O-])c1C ZINC000040608965 183108840 /nfs/dbraw/zinc/10/88/40/183108840.db2.gz IVMCPZGYPLHFER-UHFFFAOYSA-N 0 0 313.361 3.345 10 5 DGBERN CCN(CC)c1ncnc(NC2CCCCCC2)c1[N+](=O)[O-] ZINC000040608229 183109051 /nfs/dbraw/zinc/10/90/51/183109051.db2.gz CIDJUWPZFSJQAE-UHFFFAOYSA-N 0 0 307.398 3.366 10 5 DGBERN CC(C)C[C@H](CO)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000040779466 183133208 /nfs/dbraw/zinc/13/32/08/183133208.db2.gz JFKVSHBZZDMZPJ-SNVBAGLBSA-N 0 0 306.284 3.433 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2C2(CC2)C1 ZINC000187439430 284667993 /nfs/dbraw/zinc/66/79/93/284667993.db2.gz IJIPMCMXFAZYBB-UHFFFAOYSA-N 0 0 308.337 3.282 10 5 DGBERN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000110445655 194330884 /nfs/dbraw/zinc/33/08/84/194330884.db2.gz AWZGZIZNDGCVLJ-JKSUJKDBSA-N 0 0 310.353 3.057 10 5 DGBERN CNC(=O)c1ccc(N[C@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC000053550790 183906380 /nfs/dbraw/zinc/90/63/80/183906380.db2.gz DMNMPHIHABBGSI-SECBINFHSA-N 0 0 305.359 3.189 10 5 DGBERN Cc1ccccc1[C@@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000056459797 184012902 /nfs/dbraw/zinc/01/29/02/184012902.db2.gz JWMSQCLRWCPICT-CYBMUJFWSA-N 0 0 313.357 3.464 10 5 DGBERN Cc1cc(C)c(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(C)c1 ZINC000060102864 184144365 /nfs/dbraw/zinc/14/43/65/184144365.db2.gz CAOIUDBDFPXEBM-UHFFFAOYSA-N 0 0 324.336 3.316 10 5 DGBERN O=[N+]([O-])c1ccc(CN[C@H](CO)c2ccccc2)c(Cl)c1 ZINC000063001909 184265423 /nfs/dbraw/zinc/26/54/23/184265423.db2.gz KHHBEELOMIIDCO-OAHLLOKOSA-N 0 0 306.749 3.071 10 5 DGBERN Cc1nc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)no1 ZINC000064329692 184294365 /nfs/dbraw/zinc/29/43/65/184294365.db2.gz XGGHEXYKACQZQZ-UHFFFAOYSA-N 0 0 324.296 3.206 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114440911 194656219 /nfs/dbraw/zinc/65/62/19/194656219.db2.gz CQEVBBIDJYRTHA-KRWDZBQOSA-N 0 0 315.373 3.261 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000088235141 252607603 /nfs/dbraw/zinc/60/76/03/252607603.db2.gz MXXHFZPFZLWKNX-LBPRGKRZSA-N 0 0 316.332 3.462 10 5 DGBERN CC[C@H](NC(=O)Nc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000090090286 252613536 /nfs/dbraw/zinc/61/35/36/252613536.db2.gz AZQDGOGHFVHBBE-NSHDSACASA-N 0 0 306.347 3.324 10 5 DGBERN Cc1ccc2oc(SCCn3cc([N+](=O)[O-])cn3)nc2c1 ZINC000173924116 252664962 /nfs/dbraw/zinc/66/49/62/252664962.db2.gz YPWVHZFOZOBQQK-UHFFFAOYSA-N 0 0 304.331 3.033 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000119881285 195054296 /nfs/dbraw/zinc/05/42/96/195054296.db2.gz GCKMBIYZPJZLCC-JTQLQIEISA-N 0 0 313.313 3.469 10 5 DGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1ccc(C)o1 ZINC000156117376 197087493 /nfs/dbraw/zinc/08/74/93/197087493.db2.gz LNSJLCSYKKYVHO-SNVBAGLBSA-N 0 0 319.317 3.388 10 5 DGBERN O=[N+]([O-])c1cccnc1NCc1nc2ccccc2n1C1CC1 ZINC000302166113 285277108 /nfs/dbraw/zinc/27/71/08/285277108.db2.gz RLUUBLCLSSXVMU-UHFFFAOYSA-N 0 0 309.329 3.287 10 5 DGBERN O=[N+]([O-])c1cc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)cs1 ZINC000289618385 221107065 /nfs/dbraw/zinc/10/70/65/221107065.db2.gz RHNCESOOUWENFF-TZMCWYRMSA-N 0 0 308.403 3.190 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2CCCO2)no1 ZINC000274159113 533380653 /nfs/dbraw/zinc/38/06/53/533380653.db2.gz NPGRWAJTTFWSCN-XPSMFNQNSA-N 0 0 301.302 3.390 10 5 DGBERN COc1ccc(CN(C)c2cc(F)ccc2[N+](=O)[O-])c(OC)c1 ZINC000302859652 533545527 /nfs/dbraw/zinc/54/55/27/533545527.db2.gz OJOKZUUIXSZKKO-UHFFFAOYSA-N 0 0 320.320 3.388 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(Cc2ccon2)no1 ZINC000356806708 285497292 /nfs/dbraw/zinc/49/72/92/285497292.db2.gz HABASBSMWHSTNT-CSKARUKUSA-N 0 0 312.285 3.117 10 5 DGBERN C[C@](O)(CNc1ccc([N+](=O)[O-])c(N)c1F)C1CCCCC1 ZINC000357745574 285852410 /nfs/dbraw/zinc/85/24/10/285852410.db2.gz KIIGXTYNRIXAIN-HNNXBMFYSA-N 0 0 311.357 3.059 10 5 DGBERN Cc1ccc2[nH]c3c(c2c1)c1c(c2cnccc32)C(=O)NC1=O ZINC000003832412 400083636 /nfs/dbraw/zinc/08/36/36/400083636.db2.gz HXVNLNDDQUXQEU-UHFFFAOYSA-N 0 0 301.305 3.061 10 5 DGBERN O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H](C(F)F)C1 ZINC000588040797 400182814 /nfs/dbraw/zinc/18/28/14/400182814.db2.gz PZKLZSIYHKLCLI-ZETCQYMHSA-N 0 0 321.121 3.449 10 5 DGBERN CCOc1cc(N2CCCC[C@@H]2c2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000092666845 400191394 /nfs/dbraw/zinc/19/13/94/400191394.db2.gz HJNDVMSIIXTECC-CQSZACIVSA-N 0 0 316.361 3.448 10 5 DGBERN Cc1scc(CNC(=O)Cc2ccccc2[N+](=O)[O-])c1C ZINC000096555965 400275664 /nfs/dbraw/zinc/27/56/64/400275664.db2.gz ZUEUFRGVMAPIHL-UHFFFAOYSA-N 0 0 304.371 3.132 10 5 DGBERN O=[N+]([O-])c1ccc(OC(F)(F)F)c(F)c1Br ZINC000396063316 400281763 /nfs/dbraw/zinc/28/17/63/400281763.db2.gz VQDJWQLAZFHUQD-UHFFFAOYSA-N 0 0 303.993 3.395 10 5 DGBERN CC(=O)C(C)(C)CCC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000590454533 400386328 /nfs/dbraw/zinc/38/63/28/400386328.db2.gz CZSVMKQVTVYXFD-UHFFFAOYSA-N 0 0 320.389 3.342 10 5 DGBERN CCOc1cccc(CCNc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000610988602 400333166 /nfs/dbraw/zinc/33/31/66/400333166.db2.gz BEBLULYDSXAKBT-UHFFFAOYSA-N 0 0 323.299 3.321 10 5 DGBERN C[C@@H]1CC[C@]2(CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C2)C1 ZINC000611696441 400438122 /nfs/dbraw/zinc/43/81/22/400438122.db2.gz KZOFZNOPNIYNRK-DYVFJYSZSA-N 0 0 317.389 3.045 10 5 DGBERN Cc1sc(C(=O)N2CCc3c2cccc3C)cc1[N+](=O)[O-] ZINC000125959633 400487152 /nfs/dbraw/zinc/48/71/52/400487152.db2.gz AFTWZKUNNMBMRA-UHFFFAOYSA-N 0 0 302.355 3.476 10 5 DGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)c1nccs1 ZINC000130630860 400541802 /nfs/dbraw/zinc/54/18/02/400541802.db2.gz SNCUCUDLGNKBAG-LBPRGKRZSA-N 0 0 305.359 3.241 10 5 DGBERN Cc1c(O[C@H]2CCN(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000146972690 400650860 /nfs/dbraw/zinc/65/08/60/400650860.db2.gz SBRGXEPDXFJVRO-LBPRGKRZSA-N 0 0 322.361 3.291 10 5 DGBERN CCOc1ccc(C(=O)NC[C@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000358032069 285952196 /nfs/dbraw/zinc/95/21/96/285952196.db2.gz GVLAQGXCKHVBPM-NEPJUHHUSA-N 0 0 306.362 3.160 10 5 DGBERN O=[N+]([O-])c1cccc(Br)c1NCC1CSC1 ZINC000603413513 400683846 /nfs/dbraw/zinc/68/38/46/400683846.db2.gz LKSTYZGNWHTDBA-UHFFFAOYSA-N 0 0 303.181 3.132 10 5 DGBERN COCC[C@H]1CCCCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000613433676 400719366 /nfs/dbraw/zinc/71/93/66/400719366.db2.gz BQNGDHWUWLIPGW-CQSZACIVSA-N 0 0 307.394 3.250 10 5 DGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CCC[C@@H](O)C1 ZINC000603865163 400726300 /nfs/dbraw/zinc/72/63/00/400726300.db2.gz CDXBTHQTSUAUCY-VHSXEESVSA-N 0 0 315.167 3.073 10 5 DGBERN CC(C)[C@H](C)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000160885151 400736616 /nfs/dbraw/zinc/73/66/16/400736616.db2.gz AKXYWQFHTXMUBU-ZDUSSCGKSA-N 0 0 307.394 3.261 10 5 DGBERN Cc1ccnc(NCc2nccn2Cc2ccccc2)c1[N+](=O)[O-] ZINC000078498821 400804972 /nfs/dbraw/zinc/80/49/72/400804972.db2.gz QCSDEVLGDGKCTJ-UHFFFAOYSA-N 0 0 323.356 3.155 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCCC[C@@H]2c2ccnn2C)n1 ZINC000619588843 400869959 /nfs/dbraw/zinc/86/99/59/400869959.db2.gz LEJNVVUNEYIHNT-CQSZACIVSA-N 0 0 315.377 3.072 10 5 DGBERN CC[C@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000172350734 400822758 /nfs/dbraw/zinc/82/27/58/400822758.db2.gz BHAMXTGADMIVER-NSHDSACASA-N 0 0 320.374 3.002 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)NCc2ccc([N+](=O)[O-])cc2)o1 ZINC000057006280 400964096 /nfs/dbraw/zinc/96/40/96/400964096.db2.gz MDVAOEOMDDWVHM-NSHDSACASA-N 0 0 303.318 3.057 10 5 DGBERN COc1ccc(-c2noc(/C=C\c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000255567059 401105664 /nfs/dbraw/zinc/10/56/64/401105664.db2.gz NSOVUFMYJCPLQK-YWEYNIOJSA-N 0 0 324.296 3.219 10 5 DGBERN CO[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[C@@H]1C ZINC000276086739 286074876 /nfs/dbraw/zinc/07/48/76/286074876.db2.gz UYHGHBNURBYEDT-ZBEGNZNMSA-N 0 0 301.346 3.004 10 5 DGBERN CNc1c(C(=O)N2CC3(CC3)c3ccccc32)cccc1[N+](=O)[O-] ZINC000361206432 286623750 /nfs/dbraw/zinc/62/37/50/286623750.db2.gz YUNTYZDTQKNBIM-UHFFFAOYSA-N 0 0 323.352 3.329 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1F ZINC000181182333 164906210 /nfs/dbraw/zinc/90/62/10/164906210.db2.gz RLDDVZQFLCUARR-SNVBAGLBSA-N 0 0 317.320 3.116 10 5 DGBERN C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000185641181 165011060 /nfs/dbraw/zinc/01/10/60/165011060.db2.gz DUFMAMKFMTVUFP-IAQYHMDHSA-N 0 0 316.332 3.388 10 5 DGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2C2(CC2)C1 ZINC000187297776 165085841 /nfs/dbraw/zinc/08/58/41/165085841.db2.gz JHQSNFXJTNIIMJ-UHFFFAOYSA-N 0 0 322.364 3.211 10 5 DGBERN O=C(c1ccccc1[N+](=O)[O-])N1Cc2ccccc2C2(CC2)C1 ZINC000187431774 165091342 /nfs/dbraw/zinc/09/13/42/165091342.db2.gz RZXLVLSXEWAWRJ-UHFFFAOYSA-N 0 0 308.337 3.282 10 5 DGBERN COc1cc(C(=O)N[C@H](C)c2ccc(C)o2)cc([N+](=O)[O-])c1C ZINC000188665448 165132095 /nfs/dbraw/zinc/13/20/95/165132095.db2.gz WIZIEGVBZOMQED-LLVKDONJSA-N 0 0 318.329 3.304 10 5 DGBERN O=[N+]([O-])c1cccc(CN2CCC(Nc3nccs3)CC2)c1 ZINC000189951544 165184806 /nfs/dbraw/zinc/18/48/06/165184806.db2.gz DYMIMCLOLHYNBX-UHFFFAOYSA-N 0 0 318.402 3.128 10 5 DGBERN C[C@H]1CC(=O)Oc2cc(Oc3ncc([N+](=O)[O-])s3)ccc21 ZINC000192552843 165296108 /nfs/dbraw/zinc/29/61/08/165296108.db2.gz XMDTVJYXMKZFOD-ZETCQYMHSA-N 0 0 306.299 3.256 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)c1ccc(OC)c(F)c1 ZINC000192645209 165300272 /nfs/dbraw/zinc/30/02/72/165300272.db2.gz QYOKGLSYLAUCDF-SECBINFHSA-N 0 0 322.340 3.440 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1cccs1 ZINC000192845465 165307349 /nfs/dbraw/zinc/30/73/49/165307349.db2.gz AIKJUEHUFJFSKI-CYBMUJFWSA-N 0 0 317.370 3.337 10 5 DGBERN CN(C(=O)[C@@H]1CCCc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000194760575 165355539 /nfs/dbraw/zinc/35/55/39/165355539.db2.gz GNHXFENDLVQAHP-OAHLLOKOSA-N 0 0 311.341 3.073 10 5 DGBERN Cc1csc([C@@H]2CN(c3ccc([N+](=O)[O-])cc3F)CCO2)n1 ZINC000195313738 165364254 /nfs/dbraw/zinc/36/42/54/165364254.db2.gz FBTYDSQQHVTXDF-ZDUSSCGKSA-N 0 0 323.349 3.077 10 5 DGBERN CCn1cc(C2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)cn1 ZINC000195498463 165372178 /nfs/dbraw/zinc/37/21/78/165372178.db2.gz RKESSUUNDHFBOW-UHFFFAOYSA-N 0 0 318.352 3.334 10 5 DGBERN C[C@@H]1CC(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)C[C@@H](C)O1 ZINC000091962503 287204737 /nfs/dbraw/zinc/20/47/37/287204737.db2.gz KCYNWFYDQIBXJY-VXGBXAGGSA-N 0 0 318.373 3.078 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(C)s2)c1 ZINC000136297684 432152781 /nfs/dbraw/zinc/15/27/81/432152781.db2.gz GLULLKVXWLDHDE-UHFFFAOYSA-N 0 0 306.343 3.363 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@H]1CCCCO1 ZINC000182229215 432167858 /nfs/dbraw/zinc/16/78/58/432167858.db2.gz UDIXDCMKOAAXEW-PABFRNLHSA-N 0 0 305.330 3.110 10 5 DGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1ccco1 ZINC000172114360 432197913 /nfs/dbraw/zinc/19/79/13/432197913.db2.gz MWMALOUROUQVTE-CQSZACIVSA-N 0 0 315.329 3.235 10 5 DGBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CCCC[C@H]1c1nc[nH]n1 ZINC000182727426 432223370 /nfs/dbraw/zinc/22/33/70/432223370.db2.gz HQCFSLKCURKQPW-LBPRGKRZSA-N 0 0 321.768 3.094 10 5 DGBERN CCN(CCc1nccs1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000132071849 196224207 /nfs/dbraw/zinc/22/42/07/196224207.db2.gz WYBVBAUFKZOHQD-UHFFFAOYSA-N 0 0 319.386 3.065 10 5 DGBERN CC(C)Cn1ccnc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000132888029 196293695 /nfs/dbraw/zinc/29/36/95/196293695.db2.gz HXVXIRRBVJSRRM-UHFFFAOYSA-N 0 0 316.361 3.019 10 5 DGBERN CC[C@@H]1C[C@@H](C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)CCO1 ZINC000245662007 287270818 /nfs/dbraw/zinc/27/08/18/287270818.db2.gz FWBDBAYKJYIAGV-TYNCELHUSA-N 0 0 318.373 3.078 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)c1nc2ccccc2o1 ZINC000134116026 196362305 /nfs/dbraw/zinc/36/23/05/196362305.db2.gz FDJPSIJKVYXKPS-UHFFFAOYSA-N 0 0 311.297 3.321 10 5 DGBERN Cc1ccc([C@@H]2CN(Cc3cc(F)ccc3[N+](=O)[O-])CCO2)o1 ZINC000179514607 228351997 /nfs/dbraw/zinc/35/19/97/228351997.db2.gz GVEHCTHAMOMIQR-INIZCTEOSA-N 0 0 320.320 3.209 10 5 DGBERN O=[N+]([O-])c1ccc2nc(NC[C@@H](O)C3CCCC3)ccc2c1 ZINC000301296305 229614024 /nfs/dbraw/zinc/61/40/24/229614024.db2.gz RYLVXGAAXNYJHJ-OAHLLOKOSA-N 0 0 301.346 3.106 10 5 DGBERN Cc1cc(Nc2ccc([N+](=O)[O-])cc2F)ccc1OCCO ZINC000302197840 230155155 /nfs/dbraw/zinc/15/51/55/230155155.db2.gz TWAKQNFOYFPILD-UHFFFAOYSA-N 0 0 306.293 3.157 10 5 DGBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1)C1CC1 ZINC000182281079 263590825 /nfs/dbraw/zinc/59/08/25/263590825.db2.gz NHWQETJQQROWTM-ZETCQYMHSA-N 0 0 313.151 3.342 10 5 DGBERN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000193642950 263797976 /nfs/dbraw/zinc/79/79/76/263797976.db2.gz WRYUYRGGYBWIOL-VXGBXAGGSA-N 0 0 317.345 3.174 10 5 DGBERN O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000172807751 432236534 /nfs/dbraw/zinc/23/65/34/432236534.db2.gz YTMKNQHPKHWMDV-JKSUJKDBSA-N 0 0 302.374 3.427 10 5 DGBERN O=c1c2cc3ccccc3cc2ncn1C[C@@H](O)C1CCCCC1 ZINC000191285418 432244830 /nfs/dbraw/zinc/24/48/30/432244830.db2.gz JZRLITJNFKGBCR-LJQANCHMSA-N 0 0 322.408 3.491 10 5 DGBERN O=c1c2cc3ccccc3cc2ncn1C[C@H](O)C1CCCCC1 ZINC000191285402 432245168 /nfs/dbraw/zinc/24/51/68/432245168.db2.gz JZRLITJNFKGBCR-IBGZPJMESA-N 0 0 322.408 3.491 10 5 DGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000359875983 271006089 /nfs/dbraw/zinc/00/60/89/271006089.db2.gz MBIVCYUFTDVFCC-RNFRBKRXSA-N 0 0 320.296 3.081 10 5 DGBERN COc1cccc(C2=CCN(c3ncc([N+](=O)[O-])s3)CC2)c1 ZINC000369114228 271242205 /nfs/dbraw/zinc/24/22/05/271242205.db2.gz AHQLHMURWBNGAI-UHFFFAOYSA-N 0 0 317.370 3.354 10 5 DGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1C[C@H]1c1ccccc1 ZINC000173016243 432254253 /nfs/dbraw/zinc/25/42/53/432254253.db2.gz IUKZKWAFSCKSME-WBVHZDCISA-N 0 0 310.353 3.057 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(N2CCC(Cc3ccccn3)CC2)n1 ZINC000178218935 278863821 /nfs/dbraw/zinc/86/38/21/278863821.db2.gz NSMXTOUJKNJJDU-UHFFFAOYSA-N 0 0 312.373 3.152 10 5 DGBERN Cn1cc([C@H]2CCCN2c2ccc3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000108945969 431163590 /nfs/dbraw/zinc/16/35/90/431163590.db2.gz XCPOFLVGRSXHFF-MRXNPFEDSA-N 0 0 323.356 3.218 10 5 DGBERN Cc1cnn(CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000108949024 431163893 /nfs/dbraw/zinc/16/38/93/431163893.db2.gz QBJKRVHSNCESEF-UHFFFAOYSA-N 0 0 314.267 3.231 10 5 DGBERN CCS[C@@H]1CCCCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000112038134 431248323 /nfs/dbraw/zinc/24/83/23/431248323.db2.gz GZTNIVVYVMEMGU-CYBMUJFWSA-N 0 0 323.418 3.046 10 5 DGBERN COc1ccc(CN2CCCC[C@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000114483082 431389215 /nfs/dbraw/zinc/38/92/15/431389215.db2.gz NXVNMTOSUGSUNU-AWEZNQCLSA-N 0 0 316.361 3.054 10 5 DGBERN C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000075286818 431465532 /nfs/dbraw/zinc/46/55/32/431465532.db2.gz DLGPPJPSFUFVJS-NWDGAFQWSA-N 0 0 317.389 3.430 10 5 DGBERN C[C@H]1CC[C@H](C)N(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000075278422 431465700 /nfs/dbraw/zinc/46/57/00/431465700.db2.gz SDYZSONKBMFBRH-KBPBESRZSA-N 0 0 319.405 3.434 10 5 DGBERN CC(C)/N=c1\ccccn1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000010798412 431467152 /nfs/dbraw/zinc/46/71/52/431467152.db2.gz BKKOXPUYWJJAQB-XYIBPJHQSA-N 0 0 311.341 3.059 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1COc2ccccc21 ZINC000113025419 280023473 /nfs/dbraw/zinc/02/34/73/280023473.db2.gz RUMOZBREOMADIW-NHYWBVRUSA-N 0 0 324.336 3.049 10 5 DGBERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078148926 280129373 /nfs/dbraw/zinc/12/93/73/280129373.db2.gz POXPAIZLMVXWEZ-GTNSWQLSSA-N 0 0 324.336 3.049 10 5 DGBERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000117578538 431569765 /nfs/dbraw/zinc/56/97/65/431569765.db2.gz HZXGNMQDZPZLQP-RFAUZJTJSA-N 0 0 316.288 3.237 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCCC[C@H]1c1nccs1 ZINC000115365837 280192397 /nfs/dbraw/zinc/19/23/97/280192397.db2.gz NVVHPSSPQUZSNO-VIFPVBQESA-N 0 0 323.399 3.480 10 5 DGBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cncn2)cc1 ZINC000025372634 431654027 /nfs/dbraw/zinc/65/40/27/431654027.db2.gz WEWOQAHTINVPJQ-LBPRGKRZSA-N 0 0 309.329 3.349 10 5 DGBERN Cc1cc([N+](=O)[O-])cnc1N1CCc2[nH]c3ccccc3c2C1 ZINC000171277285 280665252 /nfs/dbraw/zinc/66/52/52/280665252.db2.gz CDXUYKWPPKTPRD-UHFFFAOYSA-N 0 0 308.341 3.342 10 5 DGBERN C[C@H](CO)CSc1ccc([N+](=O)[O-])cc1Br ZINC000085137932 431837198 /nfs/dbraw/zinc/83/71/98/431837198.db2.gz DQHWAYSWOBACSG-SSDOTTSWSA-N 0 0 306.181 3.078 10 5 DGBERN Cc1ccc(NC(=O)c2scnc2C2CC2)cc1[N+](=O)[O-] ZINC000089738788 431877079 /nfs/dbraw/zinc/87/70/79/431877079.db2.gz JDYJVKUAGRUDHX-UHFFFAOYSA-N 0 0 303.343 3.489 10 5 DGBERN COc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1F ZINC000090069850 431889497 /nfs/dbraw/zinc/88/94/97/431889497.db2.gz WPHBOQQGEMKUDT-UHFFFAOYSA-N 0 0 304.277 3.303 10 5 DGBERN CC(=O)c1ccc(NC[C@](C)(O)CCC(C)C)c([N+](=O)[O-])c1 ZINC000097596974 431971586 /nfs/dbraw/zinc/97/15/86/431971586.db2.gz RXBVOHINGKINIK-MRXNPFEDSA-N 0 0 308.378 3.397 10 5 DGBERN CC1CCC(N(C)C(=O)CSc2ncccc2[N+](=O)[O-])CC1 ZINC000127889030 431982691 /nfs/dbraw/zinc/98/26/91/431982691.db2.gz LQJFEUJYGPZJOO-UHFFFAOYSA-N 0 0 323.418 3.119 10 5 DGBERN Cc1sc(C(=O)N(C)CCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000055371911 431981098 /nfs/dbraw/zinc/98/10/98/431981098.db2.gz HIMGHVXWLHEMBH-UHFFFAOYSA-N 0 0 322.361 3.419 10 5 DGBERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000190622086 281284017 /nfs/dbraw/zinc/28/40/17/281284017.db2.gz IRGBTMRUISWIRN-HNNXBMFYSA-N 0 0 312.325 3.157 10 5 DGBERN CCc1ccc(C(=O)Nc2nc(COC)cs2)cc1[N+](=O)[O-] ZINC000173430670 432278044 /nfs/dbraw/zinc/27/80/44/432278044.db2.gz FNHOCIXVGKJEKE-UHFFFAOYSA-N 0 0 321.358 3.012 10 5 DGBERN CC1(C)CCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000102918228 431999635 /nfs/dbraw/zinc/99/96/35/431999635.db2.gz HEZCXLYDJIIYSO-UHFFFAOYSA-N 0 0 303.362 3.184 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCS[C@@H](C)CC1 ZINC000191941338 432316135 /nfs/dbraw/zinc/31/61/35/432316135.db2.gz LHKZEGCSFHICFF-YLSINNKHSA-N 0 0 320.414 3.352 10 5 DGBERN CCO[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C12CCC2 ZINC000152310443 432321625 /nfs/dbraw/zinc/32/16/25/432321625.db2.gz UTGCIKYOZZFFEL-OLZOCXBDSA-N 0 0 324.402 3.042 10 5 DGBERN O=[N+]([O-])c1ccccc1CNc1cccc2c1OCC[C@H]2O ZINC000184059428 432350445 /nfs/dbraw/zinc/35/04/45/432350445.db2.gz ZTEMRBFKWVEXPO-OAHLLOKOSA-N 0 0 300.314 3.023 10 5 DGBERN O=[N+]([O-])c1cccc(CNc2cccc3c2OCC[C@H]3O)c1 ZINC000184085735 432354033 /nfs/dbraw/zinc/35/40/33/432354033.db2.gz LTONQOXFVHFVBS-OAHLLOKOSA-N 0 0 300.314 3.023 10 5 DGBERN CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000191889361 432312292 /nfs/dbraw/zinc/31/22/92/432312292.db2.gz JTGPVSPCLGIXBY-ZDUSSCGKSA-N 0 0 308.378 3.147 10 5 DGBERN C[C@H](C1CC1)n1nccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000251980791 432374048 /nfs/dbraw/zinc/37/40/48/432374048.db2.gz FSSQUGPNOJGEAA-MRVPVSSYSA-N 0 0 306.347 3.076 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccccc1O ZINC000192712980 432403899 /nfs/dbraw/zinc/40/38/99/432403899.db2.gz HZHKGMMMRKFMPT-UHFFFAOYSA-N 0 0 300.314 3.180 10 5 DGBERN Cc1cc(NC(=O)N[C@@H]2COc3ccccc32)ccc1[N+](=O)[O-] ZINC000153644271 432428155 /nfs/dbraw/zinc/42/81/55/432428155.db2.gz HBTKTWFWLVXHFW-CYBMUJFWSA-N 0 0 313.313 3.158 10 5 DGBERN CS[C@@H]1CCCCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000153960529 432459142 /nfs/dbraw/zinc/45/91/42/432459142.db2.gz LEFBNCJXIONJKM-SNVBAGLBSA-N 0 0 314.432 3.322 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@H](C)c1nccs1 ZINC000184911127 432444983 /nfs/dbraw/zinc/44/49/83/432444983.db2.gz PMJSWIIIQROGND-NSHDSACASA-N 0 0 319.386 3.235 10 5 DGBERN CC[C@@H](NC(=O)Nc1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000175187644 432409630 /nfs/dbraw/zinc/40/96/30/432409630.db2.gz RJCAUCUWTDBIRK-CQSZACIVSA-N 0 0 317.349 3.084 10 5 DGBERN CC(C)(C)c1nc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)cs1 ZINC000185171823 432473123 /nfs/dbraw/zinc/47/31/23/432473123.db2.gz VRLAVJCZBVQMSR-UHFFFAOYSA-N 0 0 306.391 3.471 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H](C(F)(F)F)C1 ZINC000194066089 432522165 /nfs/dbraw/zinc/52/21/65/432522165.db2.gz RZCSIBOWPJQALK-ZETCQYMHSA-N 0 0 308.281 3.071 10 5 DGBERN CC(=O)c1ccc(N2CC[C@H](C(C)(C)C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000272569664 432525728 /nfs/dbraw/zinc/52/57/28/432525728.db2.gz SWZBWTCITOYJJN-XJKSGUPXSA-N 0 0 320.389 3.031 10 5 DGBERN CCCN(C(=O)[C@H]1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000194134461 432527004 /nfs/dbraw/zinc/52/70/04/432527004.db2.gz CFQVKXCPEATWLS-WFASDCNBSA-N 0 0 306.362 3.010 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)[C@@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000155217226 432543972 /nfs/dbraw/zinc/54/39/72/432543972.db2.gz UPIWXNKOYMLDSB-STQMWFEESA-N 0 0 320.389 3.143 10 5 DGBERN CC[C@@H](NC(=O)N(CC)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000176706874 432544363 /nfs/dbraw/zinc/54/43/63/432544363.db2.gz JZSFGFPEWWKRRV-OAHLLOKOSA-N 0 0 305.378 3.487 10 5 DGBERN Cc1cc(NCc2cccc([N+](=O)[O-])c2)nc(-c2ccncc2)n1 ZINC000195304478 432616876 /nfs/dbraw/zinc/61/68/76/432616876.db2.gz GPWPMIWIFJXDKZ-UHFFFAOYSA-N 0 0 321.340 3.367 10 5 DGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NCCc1cc(F)ccc1F ZINC000194792938 432576640 /nfs/dbraw/zinc/57/66/40/432576640.db2.gz GIJOWFPVNNVJFC-UHFFFAOYSA-N 0 0 320.295 3.154 10 5 DGBERN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000177054402 432580194 /nfs/dbraw/zinc/58/01/94/432580194.db2.gz SSJORMJBRZAGMM-NWDGAFQWSA-N 0 0 311.345 3.049 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(C[C@@H]2CCCO2)no1 ZINC000273418483 432597620 /nfs/dbraw/zinc/59/76/20/432597620.db2.gz OIDHXNLPKZHWKT-FPAJZGIOSA-N 0 0 315.329 3.260 10 5 DGBERN C[C@@H]1COC[C@@H](C)N1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172574861 288373378 /nfs/dbraw/zinc/37/33/78/288373378.db2.gz AMSVDYSDFVJDKR-NXEZZACHSA-N 0 0 320.370 3.059 10 5 DGBERN C[C@H]1c2ccccc2O[C@H]1C(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000158538538 432649172 /nfs/dbraw/zinc/64/91/72/432649172.db2.gz ZHVNGZUBRQREGL-MEDUHNTESA-N 0 0 312.325 3.122 10 5 DGBERN CC[C@H](NC(=O)c1cccc2c[nH]nc21)c1cccc([N+](=O)[O-])c1 ZINC000177812076 432665146 /nfs/dbraw/zinc/66/51/46/432665146.db2.gz JQKVXHMKXDPUDE-HNNXBMFYSA-N 0 0 324.340 3.352 10 5 DGBERN CC[C@H](NC(=O)c1ccc2nccn2c1)c1cccc([N+](=O)[O-])c1 ZINC000177813756 432665306 /nfs/dbraw/zinc/66/53/06/432665306.db2.gz DTVHJUALDSWTQW-HNNXBMFYSA-N 0 0 324.340 3.124 10 5 DGBERN CCS[C@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000178102401 432694554 /nfs/dbraw/zinc/69/45/54/432694554.db2.gz CZRIXVLTQDLGCO-KOLCDFICSA-N 0 0 314.432 3.369 10 5 DGBERN CCNC(=O)c1ccc(O[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178179742 432702710 /nfs/dbraw/zinc/70/27/10/432702710.db2.gz GRBCDGLQQSBFMX-GFCCVEGCSA-N 0 0 314.341 3.485 10 5 DGBERN CC[C@@H](NC(=O)[C@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000188302481 432716457 /nfs/dbraw/zinc/71/64/57/432716457.db2.gz ONDFHJURILDGKO-HZPDHXFCSA-N 0 0 320.389 3.103 10 5 DGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)c1c(C)noc1C ZINC000161517884 432782461 /nfs/dbraw/zinc/78/24/61/432782461.db2.gz QOGYUMNMHXDDFK-JTQLQIEISA-N 0 0 323.374 3.451 10 5 DGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)c1c(C)noc1C ZINC000161517998 432782575 /nfs/dbraw/zinc/78/25/75/432782575.db2.gz QOGYUMNMHXDDFK-SNVBAGLBSA-N 0 0 323.374 3.451 10 5 DGBERN CO[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[C@@H]1C ZINC000189334186 432777065 /nfs/dbraw/zinc/77/70/65/432777065.db2.gz VRECYKDYMWPNBZ-GUYCJALGSA-N 0 0 322.405 3.239 10 5 DGBERN COC(=O)c1cc(N[C@@H]2CCOC(C)(C)C2)cc(C)c1[N+](=O)[O-] ZINC000160678568 432736576 /nfs/dbraw/zinc/73/65/76/432736576.db2.gz MQXLIDJXFIMJFD-LLVKDONJSA-N 0 0 322.361 3.059 10 5 DGBERN O=[N+]([O-])c1cnc(NC[C@H](CCO)c2ccccc2)c(Cl)c1 ZINC000265845003 432738856 /nfs/dbraw/zinc/73/88/56/432738856.db2.gz OOGVYMZRWJSCFG-LBPRGKRZSA-N 0 0 321.764 3.221 10 5 DGBERN O=C(Cc1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178505757 432745366 /nfs/dbraw/zinc/74/53/66/432745366.db2.gz HCFKJMJXDVLJSW-UHFFFAOYSA-N 0 0 310.353 3.329 10 5 DGBERN CSC[C@@H](C)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000161767801 432797131 /nfs/dbraw/zinc/79/71/31/432797131.db2.gz MPKJVAXHMCNGFQ-SECBINFHSA-N 0 0 319.386 3.389 10 5 DGBERN Cc1ccnc(N(C)Cc2nc3c(s2)CCCC3)c1[N+](=O)[O-] ZINC000267084860 432812590 /nfs/dbraw/zinc/81/25/90/432812590.db2.gz SWRMVRGGPUDRRI-UHFFFAOYSA-N 0 0 318.402 3.270 10 5 DGBERN CC(=O)CCC(C)(C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000349463701 432964860 /nfs/dbraw/zinc/96/48/60/432964860.db2.gz RABATDCCNRSLFD-UHFFFAOYSA-N 0 0 303.318 3.292 10 5 DGBERN CCC[C@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000156578506 292731783 /nfs/dbraw/zinc/73/17/83/292731783.db2.gz UMBQWDJMMJVURS-AWEZNQCLSA-N 0 0 308.378 3.195 10 5 DGBERN O=[N+]([O-])c1cccc(F)c1OCc1ccc2c(c1)OCCO2 ZINC000361667270 433331618 /nfs/dbraw/zinc/33/16/18/433331618.db2.gz OWFQYSRQZSAMKV-UHFFFAOYSA-N 0 0 305.261 3.084 10 5 DGBERN C[C@@H]1CSCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000291877066 433380171 /nfs/dbraw/zinc/38/01/71/433380171.db2.gz ITVZOVSIVROEJV-NSHDSACASA-N 0 0 303.387 3.332 10 5 DGBERN CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000342066159 433447405 /nfs/dbraw/zinc/44/74/05/433447405.db2.gz SMTVJMYPBDHUQT-NSHDSACASA-N 0 0 312.325 3.288 10 5 DGBERN O=[N+]([O-])c1cc(F)ccc1N[C@H]1CCN(c2ccccc2)C1 ZINC000301207513 433450923 /nfs/dbraw/zinc/45/09/23/433450923.db2.gz UGICNMAZGSZCMG-ZDUSSCGKSA-N 0 0 301.321 3.425 10 5 DGBERN Cc1ccc(NC(=O)CCNc2ccc([N+](=O)[O-])c(C)c2)nc1 ZINC000301238008 433463300 /nfs/dbraw/zinc/46/33/00/433463300.db2.gz NACWQSNDZYLTKK-UHFFFAOYSA-N 0 0 314.345 3.047 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@H]2C[C@](C)(OC)C2(C)C)c1 ZINC000301457245 433564880 /nfs/dbraw/zinc/56/48/80/433564880.db2.gz CJTOMAPZCKTCIE-WFASDCNBSA-N 0 0 312.341 3.358 10 5 DGBERN CC[C@H](Nc1ccc(C(C)=O)cc1[N+](=O)[O-])c1noc(C)n1 ZINC000301486807 433574779 /nfs/dbraw/zinc/57/47/79/433574779.db2.gz YBJFHIRIXUGENS-NSHDSACASA-N 0 0 304.306 3.052 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@@H]2CSCCS2)c1 ZINC000301552559 433607952 /nfs/dbraw/zinc/60/79/52/433607952.db2.gz HPLNDLPEUDIOKT-SECBINFHSA-N 0 0 318.395 3.003 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](O)c2cccc(C)c2)c1 ZINC000301718220 433689917 /nfs/dbraw/zinc/68/99/17/433689917.db2.gz YPQKCBYZUXZOER-OAHLLOKOSA-N 0 0 320.320 3.196 10 5 DGBERN Cc1csc([C@@H]2CN(c3cccc(F)c3[N+](=O)[O-])CCO2)n1 ZINC000171363021 293055550 /nfs/dbraw/zinc/05/55/50/293055550.db2.gz DAJDLLPTDOKPFC-LBPRGKRZSA-N 0 0 323.349 3.077 10 5 DGBERN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H](c2ccco2)C1 ZINC000362588668 433774602 /nfs/dbraw/zinc/77/46/02/433774602.db2.gz MTVMDOQJMIWODZ-DGCLKSJQSA-N 0 0 317.345 3.140 10 5 DGBERN Cc1cccc2[nH]c(CNc3ncc(Cl)cc3[N+](=O)[O-])nc21 ZINC000301882899 433774605 /nfs/dbraw/zinc/77/46/05/433774605.db2.gz KWTUPHBLCNRYKO-UHFFFAOYSA-N 0 0 317.736 3.440 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1C1CC1 ZINC000376896661 433839042 /nfs/dbraw/zinc/83/90/42/433839042.db2.gz OPKAAGZSUJTHRV-LPQFERQCSA-N 0 0 300.358 3.399 10 5 DGBERN COCCN(c1ncc([N+](=O)[O-])cc1Cl)[C@H]1CC[C@@H](C)C1 ZINC000302723725 433840101 /nfs/dbraw/zinc/84/01/01/433840101.db2.gz NKRAKQQUSNKXLH-MNOVXSKESA-N 0 0 313.785 3.285 10 5 DGBERN CCOc1ccc(-c2nc(C3(OC)CCC3)no2)cc1[N+](=O)[O-] ZINC000357551869 434074991 /nfs/dbraw/zinc/07/49/91/434074991.db2.gz UEUXIOFTIMXBRL-UHFFFAOYSA-N 0 0 319.317 3.069 10 5 DGBERN Cn1c2ccccc2nc1[C@H]1CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000450372902 293950714 /nfs/dbraw/zinc/95/07/14/293950714.db2.gz BENPEVFJMXKGFV-OAHLLOKOSA-N 0 0 323.356 3.218 10 5 DGBERN CC(C)(C)Oc1cc(NCCc2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000357626970 434108985 /nfs/dbraw/zinc/10/89/85/434108985.db2.gz LKBODZRVZMHJRX-UHFFFAOYSA-N 0 0 304.350 3.150 10 5 DGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@@H]1C ZINC000505782708 294254113 /nfs/dbraw/zinc/25/41/13/294254113.db2.gz OBHVEYWZZWOGCQ-QWRGUYRKSA-N 0 0 308.403 3.483 10 5 DGBERN CC1(C)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437163755 434224513 /nfs/dbraw/zinc/22/45/13/434224513.db2.gz IAJXKXLVFLMZKB-SNVBAGLBSA-N 0 0 302.252 3.142 10 5 DGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000450685149 434339268 /nfs/dbraw/zinc/33/92/68/434339268.db2.gz KQPDKVXWRTWRCV-IHHFWDAISA-N 0 0 312.369 3.446 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCS[C@@H](C(C)C)C2)c1 ZINC000301469200 294991755 /nfs/dbraw/zinc/99/17/55/294991755.db2.gz HTTYOIPRFPPMSZ-CYBMUJFWSA-N 0 0 314.382 3.320 10 5 DGBERN CCOc1ccc(C(=O)NC23CCC(CC2)C3)cc1[N+](=O)[O-] ZINC000371713610 434738571 /nfs/dbraw/zinc/73/85/71/434738571.db2.gz DIESVXYBFBRADV-UHFFFAOYSA-N 0 0 304.346 3.056 10 5 DGBERN CCc1ccc([N+](=O)[O-])cc1NCc1nnc(C2CC2)s1 ZINC000453114352 434804356 /nfs/dbraw/zinc/80/43/56/434804356.db2.gz FEOZISFMDUWKQM-UHFFFAOYSA-N 0 0 304.375 3.498 10 5 DGBERN COC(=O)c1cc(C(F)(F)F)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575381120 435032808 /nfs/dbraw/zinc/03/28/08/435032808.db2.gz WWRKKYHOLJOXLR-UHFFFAOYSA-N 0 0 317.141 3.419 10 5 DGBERN CCOc1cc(OC(F)(F)F)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575658379 435039466 /nfs/dbraw/zinc/03/94/66/435039466.db2.gz SNMMURUHYNVCDZ-UHFFFAOYSA-N 0 0 317.166 3.494 10 5 DGBERN CCOc1cc(OC(F)F)c([N+](=O)[O-])c(OC(F)(F)F)c1 ZINC000575655982 435039565 /nfs/dbraw/zinc/03/95/65/435039565.db2.gz DDMJLFQTVLATDO-UHFFFAOYSA-N 0 0 317.166 3.494 10 5 DGBERN COc1c(OC(F)(F)F)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575666514 435041064 /nfs/dbraw/zinc/04/10/64/435041064.db2.gz JJKRPBIGINLCHI-UHFFFAOYSA-N 0 0 303.139 3.103 10 5 DGBERN CC(=O)c1cc(OC(F)F)cc([N+](=O)[O-])c1OC(F)(F)F ZINC000575667372 435041754 /nfs/dbraw/zinc/04/17/54/435041754.db2.gz MQACRTKIRYSCSV-UHFFFAOYSA-N 0 0 315.150 3.297 10 5 DGBERN CC(=O)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000557014545 435043082 /nfs/dbraw/zinc/04/30/82/435043082.db2.gz FXSPBOXORCEZBO-UHFFFAOYSA-N 0 0 312.325 3.036 10 5 DGBERN CC(=O)c1cc(Br)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575682944 435044019 /nfs/dbraw/zinc/04/40/19/435044019.db2.gz HFDRIPFBGLAVMK-UHFFFAOYSA-N 0 0 310.050 3.161 10 5 DGBERN CCOC(=O)c1cc([N+](=O)[O-])cc(Br)c1CC ZINC000575698919 435046888 /nfs/dbraw/zinc/04/68/88/435046888.db2.gz DPGAKAURXVLGGS-UHFFFAOYSA-N 0 0 302.124 3.096 10 5 DGBERN CCOC(=O)Cc1cc(Cl)c([N+](=O)[O-])c(Br)c1 ZINC000575699672 435048136 /nfs/dbraw/zinc/04/81/36/435048136.db2.gz KGPLACUINABKTI-UHFFFAOYSA-N 0 0 322.542 3.116 10 5 DGBERN CSc1cc(I)c(F)cc1[N+](=O)[O-] ZINC000575706916 435048294 /nfs/dbraw/zinc/04/82/94/435048294.db2.gz AVYIWBHNQWRHOT-UHFFFAOYSA-N 0 0 313.091 3.060 10 5 DGBERN Cc1nn(CCOc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc12 ZINC000479933323 435358242 /nfs/dbraw/zinc/35/82/42/435358242.db2.gz SLALVYSFCKXKLI-UHFFFAOYSA-N 0 0 315.304 3.471 10 5 DGBERN CC(C)(C)OC(=O)NCCCC(=O)c1ccccc1[N+](=O)[O-] ZINC000536954920 435419525 /nfs/dbraw/zinc/41/95/25/435419525.db2.gz NNLWZCYUAGLRDM-UHFFFAOYSA-N 0 0 308.334 3.082 10 5 DGBERN CCCO[C@H]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000571314473 435697962 /nfs/dbraw/zinc/69/79/62/435697962.db2.gz NPUPYGHAHZMYHV-AWEZNQCLSA-N 0 0 307.394 3.392 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cn1 ZINC000571750114 435732316 /nfs/dbraw/zinc/73/23/16/435732316.db2.gz GSMJDJFGDPIVDO-HIFRSBDPSA-N 0 0 317.320 3.461 10 5 DGBERN Cc1c([C@@H]2CCCN2c2ncc(Cl)cc2[N+](=O)[O-])cnn1C ZINC000301900319 300996192 /nfs/dbraw/zinc/99/61/92/300996192.db2.gz UPUISNOQEIIBFB-LBPRGKRZSA-N 0 0 321.768 3.027 10 5 DGBERN Cc1cnc(N2CCC[C@H]2c2noc(C(C)C)n2)c([N+](=O)[O-])c1 ZINC000266238877 302350915 /nfs/dbraw/zinc/35/09/15/302350915.db2.gz WPPAPZHJERYXOY-NSHDSACASA-N 0 0 317.349 3.146 10 5 DGBERN CCC(CC)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000133955025 312679779 /nfs/dbraw/zinc/67/97/79/312679779.db2.gz PCSCJYYDWZJPBV-UHFFFAOYSA-N 0 0 305.378 3.457 10 5 DGBERN CC[C@@H](NC(=O)Cc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000134147671 312684500 /nfs/dbraw/zinc/68/45/00/312684500.db2.gz OILYZUTVPPWLHD-MRXNPFEDSA-N 0 0 314.341 3.110 10 5 DGBERN CC[C@@H](O)CN(Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000170715884 312700149 /nfs/dbraw/zinc/70/01/49/312700149.db2.gz XVJCNCLWRZAWHY-QGZVFWFLSA-N 0 0 300.358 3.372 10 5 DGBERN CC(=O)c1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000532146005 313522514 /nfs/dbraw/zinc/52/25/14/313522514.db2.gz UZXUSMLAUCCUIE-UHFFFAOYSA-N 0 0 319.704 3.098 10 5 DGBERN CCOc1cc(N2CC[C@H](C(C)(C)C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000541575942 314024030 /nfs/dbraw/zinc/02/40/30/314024030.db2.gz MLLKRAYUQGSSDS-ZFWWWQNUSA-N 0 0 322.405 3.227 10 5 DGBERN CCCCN(Cc1ccccc1F)c1ncc([N+](=O)[O-])cn1 ZINC000546177631 314293945 /nfs/dbraw/zinc/29/39/45/314293945.db2.gz VSPCVEIBTYHTEX-UHFFFAOYSA-N 0 0 304.325 3.331 10 5 DGBERN COC(=O)c1cc(C)nc(N(C)[C@@H]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000552976081 314628524 /nfs/dbraw/zinc/62/85/24/314628524.db2.gz FXGRZKXZXRRENE-ZWNOBZJWSA-N 0 0 321.377 3.100 10 5 DGBERN COC(=O)c1cc(C)nc(Nc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000559594252 314888131 /nfs/dbraw/zinc/88/81/31/314888131.db2.gz IPCMSQXXSOAMON-UHFFFAOYSA-N 0 0 301.302 3.137 10 5 DGBERN Cn1ccnc1[C@@H](NCCCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000570150314 315628197 /nfs/dbraw/zinc/62/81/97/315628197.db2.gz XGSQPKXXBQSPMB-INIZCTEOSA-N 0 0 314.389 3.198 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]2Cc2ccc(F)cc2)cn1 ZINC000570548814 315657128 /nfs/dbraw/zinc/65/71/28/315657128.db2.gz QLCZWGZZNOQGQQ-CQSZACIVSA-N 0 0 301.321 3.340 10 5 DGBERN CCc1cc(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])ccc1C ZINC000182408811 323297761 /nfs/dbraw/zinc/29/77/61/323297761.db2.gz DNRREQGQJYQMRN-UHFFFAOYSA-N 0 0 313.357 3.177 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000183372782 323335475 /nfs/dbraw/zinc/33/54/75/323335475.db2.gz UCWYEMMLCGGLET-LBPRGKRZSA-N 0 0 308.378 3.065 10 5 DGBERN Cc1cc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)ccc1Cl ZINC000183829454 323349454 /nfs/dbraw/zinc/34/94/54/323349454.db2.gz SSCIAIFLPZTBFW-UHFFFAOYSA-N 0 0 319.748 3.190 10 5 DGBERN C[C@H](Nc1cc(CO)ccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000302073907 534018141 /nfs/dbraw/zinc/01/81/41/534018141.db2.gz WWFYNMSGPWYCED-SMDDNHRTSA-N 0 0 314.341 3.064 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2ccccc2F)c1 ZINC000302125419 534244793 /nfs/dbraw/zinc/24/47/93/534244793.db2.gz ZJKGBBQMSXHHAT-UHFFFAOYSA-N 0 0 318.304 3.157 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000302133986 534245886 /nfs/dbraw/zinc/24/58/86/534245886.db2.gz CRMCQQRAZMKGAA-CYBMUJFWSA-N 0 0 322.361 3.139 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(F)cc2)c1 ZINC000302093798 534245939 /nfs/dbraw/zinc/24/59/39/534245939.db2.gz NDYZDNAAINOVNM-UHFFFAOYSA-N 0 0 304.277 3.133 10 5 DGBERN C[C@H]1C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160294324 524850080 /nfs/dbraw/zinc/85/00/80/524850080.db2.gz NCUSPODQYJISNJ-RCOVLWMOSA-N 0 0 303.240 3.144 10 5 DGBERN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)nc(C(C)C)n1 ZINC000154923972 525248430 /nfs/dbraw/zinc/24/84/30/525248430.db2.gz UADVSIYIVQHUMN-UHFFFAOYSA-N 0 0 314.345 3.377 10 5 DGBERN O=[N+]([O-])c1ccc(CO)cc1N1CCSC2(CCCCC2)C1 ZINC000302065146 534881948 /nfs/dbraw/zinc/88/19/48/534881948.db2.gz UDWJGXMESURFGP-UHFFFAOYSA-N 0 0 322.430 3.343 10 5 DGBERN O=[N+]([O-])c1ccc(NCC2(CCO)CC2)c(C(F)(F)F)c1 ZINC000157234927 527364311 /nfs/dbraw/zinc/36/43/11/527364311.db2.gz BLEGPXQZPDBHAQ-UHFFFAOYSA-N 0 0 304.268 3.188 10 5 DGBERN CC(C)C1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000175480451 527612745 /nfs/dbraw/zinc/61/27/45/527612745.db2.gz ROGFADAKKUAONO-UHFFFAOYSA-N 0 0 301.346 3.242 10 5 DGBERN CCN(Cc1c[nH]c2ccccc12)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000442703974 528761803 /nfs/dbraw/zinc/76/18/03/528761803.db2.gz BFHKDWNUFPNMMU-UHFFFAOYSA-N 0 0 312.329 3.067 10 5 DGBERN CC(C)c1cnc(COC(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000733459194 574624510 /nfs/dbraw/zinc/62/45/10/574624510.db2.gz JSYQPFFYUWMBQH-UHFFFAOYSA-N 0 0 308.265 3.202 10 5 DGBERN O=C(Nc1ccc2nccn2c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000733966956 574645958 /nfs/dbraw/zinc/64/59/58/574645958.db2.gz IUHPHGQNLPGAFI-UHFFFAOYSA-N 0 0 316.704 3.148 10 5 DGBERN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCCCC1CC1 ZINC000736298719 574741227 /nfs/dbraw/zinc/74/12/27/574741227.db2.gz KYTDEDIOCJBYMD-UHFFFAOYSA-N 0 0 303.362 3.089 10 5 DGBERN CCOc1ccc(C(=O)N[C@H]2CC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000742740360 575016280 /nfs/dbraw/zinc/01/62/80/575016280.db2.gz QDLCMSCUFIQLOJ-NWDGAFQWSA-N 0 0 324.402 3.007 10 5 DGBERN COCc1ccc(C(=O)OCCc2ccccc2[N+](=O)[O-])cc1 ZINC000151250411 620433404 /nfs/dbraw/zinc/43/34/04/620433404.db2.gz FUPHFMQWYVASHC-UHFFFAOYSA-N 0 0 315.325 3.141 10 5 DGBERN CCc1ccc(C(=O)O[C@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000151660090 620469150 /nfs/dbraw/zinc/46/91/50/620469150.db2.gz NNQNQUYZUKTFIH-LLVKDONJSA-N 0 0 307.346 3.129 10 5 DGBERN CCc1ccc(OC(=O)COC2CCCCC2)c([N+](=O)[O-])c1 ZINC000115926933 621163659 /nfs/dbraw/zinc/16/36/59/621163659.db2.gz VCMMQWRDSPFMCX-UHFFFAOYSA-N 0 0 307.346 3.412 10 5 DGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Oc1ccccc1F ZINC000125223776 623398452 /nfs/dbraw/zinc/39/84/52/623398452.db2.gz YQFALTHIFHRRRI-UHFFFAOYSA-N 0 0 314.272 3.363 10 5 DGBERN COc1cc(OC)cc(OC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000133503878 626793857 /nfs/dbraw/zinc/79/38/57/626793857.db2.gz XORPOXKNIOPMLA-UHFFFAOYSA-N 0 0 317.297 3.140 10 5 DGBERN CN(Cc1ccc(Cl)nc1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134389154 626875113 /nfs/dbraw/zinc/87/51/13/626875113.db2.gz JQWKUFRBAHQDEG-UHFFFAOYSA-N 0 0 323.711 3.055 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000223244904 627285447 /nfs/dbraw/zinc/28/54/47/627285447.db2.gz QDLIGKWXDHANQZ-GFCCVEGCSA-N 0 0 321.377 3.325 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Oc1ccccc1OC(F)F ZINC000105983398 631184309 /nfs/dbraw/zinc/18/43/09/631184309.db2.gz NGULTXKSOBGYLR-UHFFFAOYSA-N 0 0 324.239 3.119 10 5 DGBERN CCCn1nccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000075598184 660309260 /nfs/dbraw/zinc/30/92/60/660309260.db2.gz MHEBWNBKUNQFAY-UHFFFAOYSA-N 0 0 308.725 3.107 10 5 DGBERN O=C(NCC[C@@H]1CC1(F)F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000706506199 660861771 /nfs/dbraw/zinc/86/17/71/660861771.db2.gz CMJMFJXXQCWROA-MRVPVSSYSA-N 0 0 304.680 3.023 10 5 DGBERN CO[C@H]1C[C@@H](CNc2cccc(Br)c2[N+](=O)[O-])C1 ZINC000708967721 660923484 /nfs/dbraw/zinc/92/34/84/660923484.db2.gz KIBAEETYPCCZJJ-DTORHVGOSA-N 0 0 315.167 3.194 10 5 DGBERN COc1cccc(C(=O)OCCc2ccccc2[N+](=O)[O-])c1F ZINC000157183843 655698561 /nfs/dbraw/zinc/69/85/61/655698561.db2.gz UXTHPMIHLRKZCF-UHFFFAOYSA-N 0 0 319.288 3.142 10 5 DGBERN COc1ccc(OC(=O)CSCCC(C)C)c([N+](=O)[O-])c1 ZINC000098098041 655735333 /nfs/dbraw/zinc/73/53/33/655735333.db2.gz CLDCBRJNOBWLFT-UHFFFAOYSA-N 0 0 313.375 3.288 10 5 DGBERN CC[C@@H](NC(=O)/C=C\c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000255424992 655746664 /nfs/dbraw/zinc/74/66/64/655746664.db2.gz SNCLLPFHZREDJQ-WHLNPGIBSA-N 0 0 300.314 3.469 10 5 DGBERN CCOCC(=O)Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] ZINC000176660304 655772551 /nfs/dbraw/zinc/77/25/51/655772551.db2.gz OWPLEBFFBHSIRD-UHFFFAOYSA-N 0 0 315.325 3.128 10 5 DGBERN O=[N+]([O-])c1ccc(F)cc1OCc1nc(C2CCCC2)no1 ZINC000161840956 655822927 /nfs/dbraw/zinc/82/29/27/655822927.db2.gz XJJOIUMQVCZLFL-UHFFFAOYSA-N 0 0 307.281 3.354 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000176958249 655884472 /nfs/dbraw/zinc/88/44/72/655884472.db2.gz RWJOKCZJGMXRJE-GFCCVEGCSA-N 0 0 306.362 3.071 10 5 DGBERN C/C(=C/c1ccc(F)cc1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000255675270 655888866 /nfs/dbraw/zinc/88/88/66/655888866.db2.gz FGYPXTSUXLQNAL-BENRWUELSA-N 0 0 314.316 3.454 10 5 DGBERN CO[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000714715626 661202229 /nfs/dbraw/zinc/20/22/29/661202229.db2.gz SOKRBOJCDJATQB-CZMCAQCFSA-N 0 0 315.167 3.194 10 5 DGBERN O=C(NCC[C@@H]1CCCS1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000715971065 661215697 /nfs/dbraw/zinc/21/56/97/661215697.db2.gz CPZAOGIXKPQWNS-JTQLQIEISA-N 0 0 314.794 3.264 10 5 DGBERN COC(=O)c1ccc(OCc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000047345765 657058744 /nfs/dbraw/zinc/05/87/44/657058744.db2.gz VQQTXEKURHJFML-UHFFFAOYSA-N 0 0 305.261 3.100 10 5 DGBERN COc1ccc([N+](=O)[O-])c(C(=O)OCCCOC2CCCC2)c1 ZINC000119944249 658724866 /nfs/dbraw/zinc/72/48/66/658724866.db2.gz FOEXOVCJAXCGKE-UHFFFAOYSA-N 0 0 323.345 3.110 10 5 DGBERN C[C@H]1CCC[C@@H]1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000222037995 658918509 /nfs/dbraw/zinc/91/85/09/658918509.db2.gz ZMTHIKDASZJPDG-VHSXEESVSA-N 0 0 308.290 3.096 10 5 DGBERN O=C(CCNc1ccccc1[N+](=O)[O-])OCCCC(F)(F)F ZINC000157652465 659074405 /nfs/dbraw/zinc/07/44/05/659074405.db2.gz TWTVUMWLSRZCSD-UHFFFAOYSA-N 0 0 320.267 3.283 10 5 DGBERN COCCC1(C(=O)Oc2ccc(OC)cc2[N+](=O)[O-])CCCC1 ZINC000157639358 659074770 /nfs/dbraw/zinc/07/47/70/659074770.db2.gz UKPFEAPCEAESMV-UHFFFAOYSA-N 0 0 323.345 3.106 10 5 DGBERN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccnn1C1CCCC1 ZINC000060953580 659219512 /nfs/dbraw/zinc/21/95/12/659219512.db2.gz KOYXYLREUKBYNL-UHFFFAOYSA-N 0 0 314.345 3.088 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC(C)(C)c1ccc(F)cc1 ZINC000171260439 659271062 /nfs/dbraw/zinc/27/10/62/659271062.db2.gz RNJHERMVWKSCPR-UHFFFAOYSA-N 0 0 317.320 3.102 10 5 DGBERN Cc1ncccc1/C=C1\C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc21 ZINC000171419234 659281130 /nfs/dbraw/zinc/28/11/30/659281130.db2.gz WTBNLMZDLHCRMW-WZUFQYTHSA-N 0 0 315.716 3.444 10 5 DGBERN C[C@H](Oc1ccc([N+](=O)[O-])cc1C=O)c1nc(C(C)(C)C)no1 ZINC000174083775 659411857 /nfs/dbraw/zinc/41/18/57/659411857.db2.gz YLWGJCKZJWRSJL-VIFPVBQESA-N 0 0 319.317 3.228 10 5 DGBERN CCCOCCOC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000174226108 659421543 /nfs/dbraw/zinc/42/15/43/659421543.db2.gz XUDNPGWUOAVNQP-UHFFFAOYSA-N 0 0 321.251 3.197 10 5 DGBERN CN(CCOc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000193647003 659711200 /nfs/dbraw/zinc/71/12/00/659711200.db2.gz FOHWZHYNFCIPKC-UHFFFAOYSA-N 0 0 304.321 3.245 10 5 DGBERN C[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000194557909 659880489 /nfs/dbraw/zinc/88/04/89/659880489.db2.gz LZDQHXHEMBTFKX-JTQLQIEISA-N 0 0 307.327 3.340 10 5 DGBERN COC(=O)c1cc(F)ccc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000078412037 662065924 /nfs/dbraw/zinc/06/59/24/662065924.db2.gz CZVQDARVQCKZGL-UHFFFAOYSA-N 0 0 323.251 3.239 10 5 DGBERN CCc1ccc(C(=O)O[C@H]2CCC[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000081809948 662173095 /nfs/dbraw/zinc/17/30/95/662173095.db2.gz BZXGWRIRAFTORV-KBPBESRZSA-N 0 0 307.346 3.272 10 5 DGBERN C[C@H]1CCCCCN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000070413545 1195867788 /nfs/dbraw/zinc/86/77/88/1195867788.db2.gz BFJJZKDMKDEMRQ-VIFPVBQESA-N 0 0 311.769 3.235 10 5 DGBERN Cc1ccc2[nH]cc(CCNC(=O)c3ccccc3[N+](=O)[O-])c2c1 ZINC000059292186 1195081497 /nfs/dbraw/zinc/08/14/97/1195081497.db2.gz XTOMOWMVOHHOED-UHFFFAOYSA-N 0 0 323.352 3.357 10 5 DGBERN COc1cccc(OC)c1COC(=O)c1ccc([N+](=O)[O-])s1 ZINC000085770505 1197555336 /nfs/dbraw/zinc/55/53/36/1197555336.db2.gz OMTSJLUZYNFNJO-UHFFFAOYSA-N 0 0 323.326 3.031 10 5 DGBERN CCOCCCCNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000194073080 1201341532 /nfs/dbraw/zinc/34/15/32/1201341532.db2.gz CKPCHNJSCAUWBL-VQHVLOKHSA-N 0 0 322.361 3.010 10 5 DGBERN COCCCCCNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000255090717 1203836727 /nfs/dbraw/zinc/83/67/27/1203836727.db2.gz IQVPVMIBSKPQFG-CLFYSBASSA-N 0 0 322.361 3.010 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cn1 ZINC000588438426 1082283162 /nfs/dbraw/zinc/28/31/62/1082283162.db2.gz JBFIPWINYKUWSI-NTMALXAHSA-N 0 0 301.277 3.171 10 5 DGBERN CCN(C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000588438060 1082283180 /nfs/dbraw/zinc/28/31/80/1082283180.db2.gz GSLNQYTUUOHQEC-QBFSEMIESA-N 0 0 311.341 3.446 10 5 DGBERN COc1ccncc1NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588437906 1082283212 /nfs/dbraw/zinc/28/32/12/1082283212.db2.gz RSCZDTWDRFDINO-LUAWRHEFSA-N 0 0 313.313 3.040 10 5 DGBERN CCCCOCCCNC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588443663 1082287333 /nfs/dbraw/zinc/28/73/33/1082287333.db2.gz UXUNXNCRGFMJIR-YPKPFQOOSA-N 0 0 320.389 3.321 10 5 DGBERN Cc1cc(CNc2c(Br)cccc2[N+](=O)[O-])[nH]n1 ZINC000716463171 1084262143 /nfs/dbraw/zinc/26/21/43/1084262143.db2.gz KZRKRHJFYFSUCC-UHFFFAOYSA-N 0 0 311.139 3.001 10 5 DGBERN CC1(C)CCC[C@@H]1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000094332409 1089480045 /nfs/dbraw/zinc/48/00/45/1089480045.db2.gz HBLFXMNCZYVHMN-NSHDSACASA-N 0 0 311.769 3.139 10 5 DGBERN O=[N+]([O-])c1nn(C[C@H]2CCCC(F)(F)C2)cc1Br ZINC000306054421 231082470 /nfs/dbraw/zinc/08/24/70/231082470.db2.gz XBZTVZOXRMUDBR-ZETCQYMHSA-N 0 0 324.125 3.379 10 5 DGBERN CC[C@@H](NC(=O)C[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000087369835 185222863 /nfs/dbraw/zinc/22/28/63/185222863.db2.gz JXOVVXGCUBDLPZ-LSDHHAIUSA-N 0 0 306.362 3.121 10 5 DGBERN CCc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)oc1CC ZINC000150697757 529520846 /nfs/dbraw/zinc/52/08/46/529520846.db2.gz VMMPEBYPOQFNNK-UHFFFAOYSA-N 0 0 303.318 3.268 10 5 DGBERN C[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000181504389 199308011 /nfs/dbraw/zinc/30/80/11/199308011.db2.gz HDOUCBMXIPNJHS-QMMMGPOBSA-N 0 0 318.420 3.050 10 5 DGBERN CCCn1c(C)nnc1CN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181565198 199318598 /nfs/dbraw/zinc/31/85/98/199318598.db2.gz KBCTVBCHQCIPRP-OAHLLOKOSA-N 0 0 317.393 3.146 10 5 DGBERN CC[C@H](NCc1nnc(C(C)C)n1C)c1cccc([N+](=O)[O-])c1 ZINC000181557449 199317219 /nfs/dbraw/zinc/31/72/19/199317219.db2.gz CSOOGVULQMRBAQ-AWEZNQCLSA-N 0 0 317.393 3.088 10 5 DGBERN Cc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c(C)n1 ZINC000103377985 432007812 /nfs/dbraw/zinc/00/78/12/432007812.db2.gz ARUSLGXZMNLJOI-LLVKDONJSA-N 0 0 311.341 3.198 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(Cl)o1 ZINC000103377100 432007997 /nfs/dbraw/zinc/00/79/97/432007997.db2.gz MEEHJDGCRLMCML-QMMMGPOBSA-N 0 0 306.705 3.433 10 5 DGBERN CCCCN([C@H](C)CC)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066000460 432013785 /nfs/dbraw/zinc/01/37/85/432013785.db2.gz SKHCLAVMUBSADY-SNVBAGLBSA-N 0 0 320.436 3.246 10 5 DGBERN CC(C)COCCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000130069007 432014995 /nfs/dbraw/zinc/01/49/95/432014995.db2.gz HVUCKQNIILXESS-UHFFFAOYSA-N 0 0 317.183 3.442 10 5 DGBERN COc1cccc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1F ZINC000123743622 185838245 /nfs/dbraw/zinc/83/82/45/185838245.db2.gz OJXKFHSYHMJNPT-JTQLQIEISA-N 0 0 318.304 3.234 10 5 DGBERN Cc1c(NC(=O)c2ccccc2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000144684033 186036083 /nfs/dbraw/zinc/03/60/83/186036083.db2.gz SXRAETCQUZOMKD-UHFFFAOYSA-N 0 0 322.324 3.341 10 5 DGBERN COc1ccc(-c2nnc(-c3ccc(C)cc3)[nH]2)cc1[N+](=O)[O-] ZINC000072237731 191080542 /nfs/dbraw/zinc/08/05/42/191080542.db2.gz FDNFCBLUTXTGPW-UHFFFAOYSA-N 0 0 310.313 3.364 10 5 DGBERN C[C@H](NC(=O)NCCC1=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000164385185 186158205 /nfs/dbraw/zinc/15/82/05/186158205.db2.gz OQGUJIUNYBAMKO-LBPRGKRZSA-N 0 0 303.362 3.455 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCC(C)C)CC1 ZINC000067056802 432025496 /nfs/dbraw/zinc/02/54/96/432025496.db2.gz UPRQKWJZPQLLBA-UHFFFAOYSA-N 0 0 320.389 3.180 10 5 DGBERN Cc1cc(N2CCC[C@@H]2c2noc(C(C)C)n2)ncc1[N+](=O)[O-] ZINC000266839293 186354613 /nfs/dbraw/zinc/35/46/13/186354613.db2.gz LHZUAHUVVOOABX-LLVKDONJSA-N 0 0 317.349 3.146 10 5 DGBERN CC(C)CC[C@H](C)Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000302755037 186740968 /nfs/dbraw/zinc/74/09/68/186740968.db2.gz VNUNKYNUWPOOPM-NSHDSACASA-N 0 0 314.407 3.235 10 5 DGBERN Cc1ccnc(NCC[C@@H](C)NC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000172278154 198070335 /nfs/dbraw/zinc/07/03/35/198070335.db2.gz PRFSVJVRQJJTFJ-LLVKDONJSA-N 0 0 324.381 3.013 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCS[C@H](C(C)C)C1 ZINC000174263517 198312317 /nfs/dbraw/zinc/31/23/17/198312317.db2.gz ATMQRJKRQYBWFM-AWEZNQCLSA-N 0 0 308.403 3.117 10 5 DGBERN C[C@@H]1CC[C@@H](C)N(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000075278427 191455545 /nfs/dbraw/zinc/45/55/45/191455545.db2.gz SDYZSONKBMFBRH-ZIAGYGMSSA-N 0 0 319.405 3.434 10 5 DGBERN Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])cc1 ZINC000005109113 181204261 /nfs/dbraw/zinc/20/42/61/181204261.db2.gz ZGZOHRPRFUOPGN-LBPRGKRZSA-N 0 0 300.314 3.309 10 5 DGBERN Cc1c(NC(=O)NC[C@@](C)(O)CCC(C)C)cccc1[N+](=O)[O-] ZINC000077660921 191751497 /nfs/dbraw/zinc/75/14/97/191751497.db2.gz PJFOQIVOUQDDGU-INIZCTEOSA-N 0 0 323.393 3.212 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000005379245 181236456 /nfs/dbraw/zinc/23/64/56/181236456.db2.gz VBEVHNLDPDWSOA-UHFFFAOYSA-N 0 0 301.258 3.064 10 5 DGBERN CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000185752143 199884548 /nfs/dbraw/zinc/88/45/48/199884548.db2.gz KBWXLOWZSZNHPQ-UWVGGRQHSA-N 0 0 314.288 3.427 10 5 DGBERN CCC(C)(CC)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134681981 432083551 /nfs/dbraw/zinc/08/35/51/432083551.db2.gz MXBYFHRVKRSLHH-UHFFFAOYSA-N 0 0 303.362 3.314 10 5 DGBERN COc1cc(NCCCNc2ccccn2)c([N+](=O)[O-])cc1F ZINC000180409235 432085143 /nfs/dbraw/zinc/08/51/43/432085143.db2.gz FQSOHXXSEYKQJD-UHFFFAOYSA-N 0 0 320.324 3.052 10 5 DGBERN CO[C@H]1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC[C@@H]1C ZINC000187977279 200185085 /nfs/dbraw/zinc/18/50/85/200185085.db2.gz GPRJUAMRHSCFMV-HZMBPMFUSA-N 0 0 320.389 3.017 10 5 DGBERN CCc1n[nH]c(C(=O)N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000188264353 200218626 /nfs/dbraw/zinc/21/86/26/200218626.db2.gz HPUOKINQUNSORG-NQBHXWOUSA-N 0 0 322.409 3.071 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H](c2nccs2)C1 ZINC000170890614 432086808 /nfs/dbraw/zinc/08/68/08/432086808.db2.gz NZPKYVWOVZBQNV-SECBINFHSA-N 0 0 323.399 3.133 10 5 DGBERN Cc1cccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1 ZINC000005981725 181303453 /nfs/dbraw/zinc/30/34/53/181303453.db2.gz SXGAAFSEDLIUEC-UHFFFAOYSA-N 0 0 310.313 3.267 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(C)C)cc1 ZINC000049227555 283579947 /nfs/dbraw/zinc/57/99/47/283579947.db2.gz MQDCAXIYOKKVDL-UHFFFAOYSA-N 0 0 315.329 3.338 10 5 DGBERN C[C@H]1CC[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000075288776 283818018 /nfs/dbraw/zinc/81/80/18/283818018.db2.gz KLZLYMKXAAVLPB-QWRGUYRKSA-N 0 0 310.781 3.438 10 5 DGBERN CCc1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000080656539 283901500 /nfs/dbraw/zinc/90/15/00/283901500.db2.gz RQUFOZMKULBDIE-UHFFFAOYSA-N 0 0 306.343 3.485 10 5 DGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCCO[C@@H]1C ZINC000190009805 432113464 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/nfs/dbraw/zinc/70/48/78/400704878.db2.gz XMSZAISMBRRNHB-CYBMUJFWSA-N 0 0 306.362 3.155 10 5 DGBERN C[C@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000078369509 400793940 /nfs/dbraw/zinc/79/39/40/400793940.db2.gz WFEBTCCGRMRGTM-XHDPSFHLSA-N 0 0 317.320 3.095 10 5 DGBERN CC[C@H]1CCCCCN1C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000172440189 400827544 /nfs/dbraw/zinc/82/75/44/400827544.db2.gz MTEPKSFYLULRIZ-LBPRGKRZSA-N 0 0 306.362 3.398 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@H](C)Cc2c(C)noc2C)c1 ZINC000080645877 400972434 /nfs/dbraw/zinc/97/24/34/400972434.db2.gz LJCKJCIPOFYMEG-MRVPVSSYSA-N 0 0 323.324 3.390 10 5 DGBERN CC[C@H](NC(=O)Nc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000090090209 401254885 /nfs/dbraw/zinc/25/48/85/401254885.db2.gz GSLWMTUNQWPJET-ZDUSSCGKSA-N 0 0 300.318 3.263 10 5 DGBERN COc1ccc2c(c1)CN(c1cc(F)ccc1[N+](=O)[O-])CC2 ZINC000302821128 286399918 /nfs/dbraw/zinc/39/99/18/286399918.db2.gz QHCRLGDTANEOOC-UHFFFAOYSA-N 0 0 302.305 3.305 10 5 DGBERN O=[N+]([O-])c1cccc(CNc2cccc3c2OCC[C@@H]3O)c1 ZINC000184085715 164968773 /nfs/dbraw/zinc/96/87/73/164968773.db2.gz LTONQOXFVHFVBS-HNNXBMFYSA-N 0 0 300.314 3.023 10 5 DGBERN O=C(Nc1ccncc1[N+](=O)[O-])N1Cc2ccccc2C2(CC2)C1 ZINC000187669049 165100175 /nfs/dbraw/zinc/10/01/75/165100175.db2.gz UHFJCKKHCQQSTI-UHFFFAOYSA-N 0 0 324.340 3.069 10 5 DGBERN O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)s1 ZINC000190324588 165197165 /nfs/dbraw/zinc/19/71/65/165197165.db2.gz MODXVKBAPQISBQ-SNVBAGLBSA-N 0 0 319.342 3.122 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(C2CC2)cc1 ZINC000191197364 165236231 /nfs/dbraw/zinc/23/62/31/165236231.db2.gz ODVTXJMPWYDHSK-UHFFFAOYSA-N 0 0 311.341 3.106 10 5 DGBERN CCNc1cc(C)ccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000191397506 165248311 /nfs/dbraw/zinc/24/83/11/165248311.db2.gz GRSDAGJAXYJOCY-UHFFFAOYSA-N 0 0 314.345 3.291 10 5 DGBERN CCCN(Cc1csc([N+](=O)[O-])c1)[C@H](CC)C(=O)OCC ZINC000191672857 165265681 /nfs/dbraw/zinc/26/56/81/165265681.db2.gz 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C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccncc1Cl ZINC000174058917 274627081 /nfs/dbraw/zinc/62/70/81/274627081.db2.gz GMUHSVQRBUYNDW-VIFPVBQESA-N 0 0 317.732 3.235 10 5 DGBERN CC(=O)c1ccc(N2CC[C@@]3(C)[C@@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC000291913868 277111674 /nfs/dbraw/zinc/11/16/74/277111674.db2.gz LCBMJBSASSVRNP-KGLIPLIRSA-N 0 0 310.300 3.279 10 5 DGBERN CO[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[C@H]1C ZINC000276086732 277750267 /nfs/dbraw/zinc/75/02/67/277750267.db2.gz UYHGHBNURBYEDT-BZNIZROVSA-N 0 0 301.346 3.004 10 5 DGBERN COc1ccc2cc3c4cc5c(cc4ccn3cc-2c1=O)OCO5 ZINC000103550166 278000587 /nfs/dbraw/zinc/00/05/87/278000587.db2.gz UDPOAEFITNHCJZ-UHFFFAOYSA-O 0 0 320.324 3.175 10 5 in-vitro DGBERN COc1cccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000103377554 278007615 /nfs/dbraw/zinc/00/76/15/278007615.db2.gz INXUHGJDIDQCBP-LLVKDONJSA-N 0 0 312.325 3.195 10 5 DGBERN Cc1cc(N2CCCSCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302022085 278708955 /nfs/dbraw/zinc/70/89/55/278708955.db2.gz 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CSCCCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000123091251 431854934 /nfs/dbraw/zinc/85/49/34/431854934.db2.gz XUHUXENTBXGMNC-UHFFFAOYSA-N 0 0 309.391 3.035 10 5 DGBERN Cc1cnc(OCc2nc3cc(F)ccc3o2)c([N+](=O)[O-])c1 ZINC000123361252 431862500 /nfs/dbraw/zinc/86/25/00/431862500.db2.gz NJDOIROHJHTRBG-UHFFFAOYSA-N 0 0 303.249 3.158 10 5 DGBERN CC[C@H](NC(=O)Nc1ccc(F)cn1)c1cccc([N+](=O)[O-])c1 ZINC000122300441 431825915 /nfs/dbraw/zinc/82/59/15/431825915.db2.gz IBHXQLCVJKENGS-ZDUSSCGKSA-N 0 0 318.308 3.402 10 5 DGBERN C[C@@H](CO)CSc1ccc([N+](=O)[O-])cc1Br ZINC000085137931 431836708 /nfs/dbraw/zinc/83/67/08/431836708.db2.gz DQHWAYSWOBACSG-ZETCQYMHSA-N 0 0 306.181 3.078 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000046625535 431899117 /nfs/dbraw/zinc/89/91/17/431899117.db2.gz IOXPIWFIIJJFGI-CYBMUJFWSA-N 0 0 318.304 3.174 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000091901074 431906514 /nfs/dbraw/zinc/90/65/14/431906514.db2.gz 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/nfs/dbraw/zinc/28/37/31/432283731.db2.gz KSKFYNUJVGZLTR-HNNXBMFYSA-N 0 0 314.341 3.484 10 5 DGBERN CC[C@@H](NC(=O)[C@H]1CCO[C@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000248551699 432299555 /nfs/dbraw/zinc/29/95/55/432299555.db2.gz KQQGXAWPIUMRES-NUEKZKHPSA-N 0 0 320.389 3.367 10 5 DGBERN CCCn1nccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000102380712 431994159 /nfs/dbraw/zinc/99/41/59/431994159.db2.gz VELVOUJHNFYJRA-UHFFFAOYSA-N 0 0 308.725 3.107 10 5 DGBERN COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])s2)cc1F ZINC000061241061 432001354 /nfs/dbraw/zinc/00/13/54/432001354.db2.gz WYLJVAFUKHXYIH-QMMMGPOBSA-N 0 0 324.333 3.295 10 5 DGBERN CO[C@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC[C@H]1C ZINC000191390570 432261037 /nfs/dbraw/zinc/26/10/37/432261037.db2.gz DDAJUXUQVYMZEH-BMIGLBTASA-N 0 0 321.377 3.100 10 5 DGBERN Cc1cc(C)cc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)c1 ZINC000183749207 432321989 /nfs/dbraw/zinc/32/19/89/432321989.db2.gz ILRRBXCDSGWTCY-ZDUSSCGKSA-N 0 0 314.341 3.434 10 5 DGBERN COc1cccc(F)c1[C@@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000174504354 432351551 /nfs/dbraw/zinc/35/15/51/432351551.db2.gz YJPNCZWCOLVLOG-SNVBAGLBSA-N 0 0 318.304 3.234 10 5 DGBERN CCc1cnccc1C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000184565528 432407048 /nfs/dbraw/zinc/40/70/48/432407048.db2.gz AMRZEARGNTYDTC-INIZCTEOSA-N 0 0 313.357 3.433 10 5 DGBERN COC(C)(C)C[C@H](C)NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000184275712 432375485 /nfs/dbraw/zinc/37/54/85/432375485.db2.gz MNWUUFHAYDPTOS-XSNHNAGMSA-N 0 0 320.389 3.318 10 5 DGBERN CCCC(O)(CCC)CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000153064741 432379842 /nfs/dbraw/zinc/37/98/42/432379842.db2.gz COXGGXWURFICOB-UHFFFAOYSA-N 0 0 314.407 3.026 10 5 DGBERN CCC1(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCC1 ZINC000174930027 432379838 /nfs/dbraw/zinc/37/98/38/432379838.db2.gz KKSXHIREKBILHT-UHFFFAOYSA-N 0 0 317.389 3.258 10 5 DGBERN CCC1(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCC1 ZINC000174931483 432380464 /nfs/dbraw/zinc/38/04/64/432380464.db2.gz 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432366744 /nfs/dbraw/zinc/36/67/44/432366744.db2.gz MNULEXWPLJPQFH-CYBMUJFWSA-N 0 0 321.283 3.149 10 5 DGBERN COc1cc(CN(C)Cc2ccc(C)o2)c([N+](=O)[O-])cc1F ZINC000184233615 432370031 /nfs/dbraw/zinc/37/00/31/432370031.db2.gz VOVLKXLEOPEYGN-UHFFFAOYSA-N 0 0 308.309 3.276 10 5 DGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCS[C@@H](C)C1 ZINC000184758426 432430594 /nfs/dbraw/zinc/43/05/94/432430594.db2.gz DZTRULGRLFVPJL-JSGCOSHPSA-N 0 0 322.430 3.127 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000175452695 432437275 /nfs/dbraw/zinc/43/72/75/432437275.db2.gz HFMIKTVTGSUIKB-LSDHHAIUSA-N 0 0 320.414 3.403 10 5 DGBERN CC[C@@H](NC(=O)NCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000175187179 432409031 /nfs/dbraw/zinc/40/90/31/432409031.db2.gz IFRCRILKQMIDSJ-CQSZACIVSA-N 0 0 303.318 3.138 10 5 DGBERN O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)c(Cl)c1 ZINC000185224060 432479387 /nfs/dbraw/zinc/47/93/87/432479387.db2.gz JZCYBORSZCLQKZ-CQSZACIVSA-N 0 0 320.780 3.109 10 5 DGBERN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000262308288 432481491 /nfs/dbraw/zinc/48/14/91/432481491.db2.gz PMFARUGTHADSNC-OLZOCXBDSA-N 0 0 306.362 3.233 10 5 DGBERN CC(C)C[C@@H](C)C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000185426419 432499630 /nfs/dbraw/zinc/49/96/30/432499630.db2.gz BDAVXKNYCIAZTL-SNVBAGLBSA-N 0 0 317.349 3.001 10 5 DGBERN COc1cccc(C(=O)N[C@@H](C)c2cccs2)c1[N+](=O)[O-] ZINC000193859457 432504153 /nfs/dbraw/zinc/50/41/53/432504153.db2.gz JTJGAURJZGSACF-VIFPVBQESA-N 0 0 306.343 3.156 10 5 DGBERN C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1cccc(F)c1 ZINC000176288042 432507689 /nfs/dbraw/zinc/50/76/89/432507689.db2.gz XOHXFHQNNPHPAQ-LRDDRELGSA-N 0 0 318.352 3.014 10 5 DGBERN Cc1noc(C2CC2)c1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000156743140 432605777 /nfs/dbraw/zinc/60/57/77/432605777.db2.gz INLGDERWKOTVNE-UHFFFAOYSA-N 0 0 301.302 3.329 10 5 DGBERN Cc1ccc([C@H](C)OC(=O)CC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000176946237 432569530 /nfs/dbraw/zinc/56/95/30/432569530.db2.gz BTMKZMSVSBNCMC-STQMWFEESA-N 0 0 307.346 3.324 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000194772081 432575030 /nfs/dbraw/zinc/57/50/30/432575030.db2.gz PBLJMYCKSVQBFO-JTQLQIEISA-N 0 0 316.279 3.318 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1ccccn1)C1CC1 ZINC000194773277 432575178 /nfs/dbraw/zinc/57/51/78/432575178.db2.gz XODPXNOPTNYMLI-UHFFFAOYSA-N 0 0 311.341 3.103 10 5 DGBERN CC(C)(C)c1ncsc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000155975546 432584170 /nfs/dbraw/zinc/58/41/70/432584170.db2.gz YXNPAOOVGBSJIK-UHFFFAOYSA-N 0 0 321.358 3.307 10 5 DGBERN CCc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000195029145 432594261 /nfs/dbraw/zinc/59/42/61/432594261.db2.gz AIADTDPFYCSFOP-LLVKDONJSA-N 0 0 313.357 3.352 10 5 DGBERN O=C(NCCC1CCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195491633 432624817 /nfs/dbraw/zinc/62/48/17/432624817.db2.gz WURYQOOIIGDNCD-UHFFFAOYSA-N 0 0 301.346 3.386 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1F ZINC000195524074 432626938 /nfs/dbraw/zinc/62/69/38/432626938.db2.gz UNPSTJGJFIUJNI-UHFFFAOYSA-N 0 0 309.684 3.343 10 5 DGBERN CSc1ccc(C(=O)NC[C@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000187403707 432663211 /nfs/dbraw/zinc/66/32/11/432663211.db2.gz WMGKGSICIBORJS-LLVKDONJSA-N 0 0 324.402 3.004 10 5 DGBERN CC[C@@H](NC(=O)C(F)(F)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000177801712 432663390 /nfs/dbraw/zinc/66/33/90/432663390.db2.gz MCALVWSFXJASEL-SECBINFHSA-N 0 0 308.231 3.063 10 5 DGBERN Cc1ccc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)n1 ZINC000177838630 432667073 /nfs/dbraw/zinc/66/70/73/432667073.db2.gz QWHOPRXRLZIHCL-LBPRGKRZSA-N 0 0 313.357 3.406 10 5 DGBERN O=[N+]([O-])c1cc(Br)ccc1NOC(F)(F)F ZINC000221253453 432667352 /nfs/dbraw/zinc/66/73/52/432667352.db2.gz PCSUFDSVQSQPAS-UHFFFAOYSA-N 0 0 301.018 3.221 10 5 DGBERN C[C@H]1CC[C@@](CO)([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000187952795 432695296 /nfs/dbraw/zinc/69/52/96/432695296.db2.gz UORSZWWMUBSBOP-XHDPSFHLSA-N 0 0 312.797 3.231 10 5 DGBERN CCOc1cc(NCc2cccnc2N(C)C)ccc1[N+](=O)[O-] ZINC000178344558 432723802 /nfs/dbraw/zinc/72/38/02/432723802.db2.gz POFKRQHTRRPPDN-UHFFFAOYSA-N 0 0 316.361 3.067 10 5 DGBERN Cc1nc2cc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])ccc2o1 ZINC000131855020 292664791 /nfs/dbraw/zinc/66/47/91/292664791.db2.gz XOIKXQMJZXJGPE-UHFFFAOYSA-N 0 0 315.260 3.436 10 5 DGBERN Cc1c([C@H](C)[NH2+]Cc2ccc(CO)c(F)c2)cccc1[N+](=O)[O-] ZINC000178563617 432753005 /nfs/dbraw/zinc/75/30/05/432753005.db2.gz XZLYXBXIPUHWKI-LBPRGKRZSA-N 0 0 318.348 3.385 10 5 DGBERN CO[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[C@@H]1C ZINC000275976244 432765472 /nfs/dbraw/zinc/76/54/72/432765472.db2.gz HXAURGBESZKUBV-ZANVPECISA-N 0 0 316.304 3.057 10 5 DGBERN CC1(CNc2ncc(Br)cc2[N+](=O)[O-])CCC1 ZINC000230215776 432726956 /nfs/dbraw/zinc/72/69/56/432726956.db2.gz SKFZYGAJAMBBBZ-UHFFFAOYSA-N 0 0 300.156 3.354 10 5 DGBERN O=[N+]([O-])c1ccc(NCCc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000162142814 432813403 /nfs/dbraw/zinc/81/34/03/432813403.db2.gz OOMYAYXFRMPSOD-UHFFFAOYSA-N 0 0 309.329 3.035 10 5 DGBERN CC1(C)SC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000276516228 432815209 /nfs/dbraw/zinc/81/52/09/432815209.db2.gz UIAJNILXZNPESB-QMMMGPOBSA-N 0 0 318.196 3.058 10 5 DGBERN O=[N+]([O-])c1c(F)cccc1N1CCO[C@@H](c2cccs2)C1 ZINC000268412874 432869200 /nfs/dbraw/zinc/86/92/00/432869200.db2.gz UFCKBIQUHXNHNF-GFCCVEGCSA-N 0 0 308.334 3.373 10 5 DGBERN CC[C@@H]1C[C@H](C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)CCO1 ZINC000245662006 432854378 /nfs/dbraw/zinc/85/43/78/432854378.db2.gz FWBDBAYKJYIAGV-LALPHHSUSA-N 0 0 318.373 3.078 10 5 DGBERN CC(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000342053703 433437209 /nfs/dbraw/zinc/43/72/09/433437209.db2.gz IAVIQEFECQEUAX-LLVKDONJSA-N 0 0 312.325 3.288 10 5 DGBERN Cc1cc(NC2CCN(C(=O)OC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000301230137 433458717 /nfs/dbraw/zinc/45/87/17/433458717.db2.gz IKMNMCIRHHQONU-UHFFFAOYSA-N 0 0 321.377 3.325 10 5 DGBERN C[C@H](CCC(C)(C)C)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301274956 433479976 /nfs/dbraw/zinc/47/99/76/433479976.db2.gz LPGHAUCZGXXJKL-LLVKDONJSA-N 0 0 318.377 3.229 10 5 DGBERN C/C(=C/c1nc(C2CCOCC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000342169043 433512272 /nfs/dbraw/zinc/51/22/72/433512272.db2.gz FNPSDKCAXQLLOD-KHPPLWFESA-N 0 0 315.329 3.432 10 5 DGBERN O=[N+]([O-])c1ccc(NC[C@H](O)C2CCCC2)c2ncccc12 ZINC000301300079 433499091 /nfs/dbraw/zinc/49/90/91/433499091.db2.gz UPSJVRLRKVOHGW-HNNXBMFYSA-N 0 0 301.346 3.106 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2C[C@@](C)(OC)C2(C)C)c1 ZINC000301457243 433564071 /nfs/dbraw/zinc/56/40/71/433564071.db2.gz CJTOMAPZCKTCIE-IUODEOHRSA-N 0 0 312.341 3.358 10 5 DGBERN CO[C@@H](C)c1nc(CN(C)c2ccccc2[N+](=O)[O-])cs1 ZINC000301578460 433619926 /nfs/dbraw/zinc/61/99/26/433619926.db2.gz UBGPTJPPSADZKR-JTQLQIEISA-N 0 0 307.375 3.395 10 5 DGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCOc2cccc(F)c2C1 ZINC000373861299 293324325 /nfs/dbraw/zinc/32/43/25/293324325.db2.gz XVZMRZNBKOKGKK-UHFFFAOYSA-N 0 0 323.711 3.181 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCCC23CCC3)c1 ZINC000374048803 293346927 /nfs/dbraw/zinc/34/69/27/293346927.db2.gz FPWMEBSGPQUMQU-UHFFFAOYSA-N 0 0 318.373 3.217 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(NCc2nc(C)sc2C)c1 ZINC000301855711 433762773 /nfs/dbraw/zinc/76/27/73/433762773.db2.gz YWPLFQTYYLJAHO-UHFFFAOYSA-N 0 0 311.338 3.428 10 5 DGBERN COCCN(c1ncc([N+](=O)[O-])cc1Cl)[C@@H]1CC[C@H](C)C1 ZINC000302723727 433840082 /nfs/dbraw/zinc/84/00/82/433840082.db2.gz NKRAKQQUSNKXLH-WDEREUQCSA-N 0 0 313.785 3.285 10 5 DGBERN O=[N+]([O-])c1ccc(NCCCc2cc[nH]n2)cc1C(F)(F)F ZINC000302754567 433852309 /nfs/dbraw/zinc/85/23/09/433852309.db2.gz IDVBKUGECQUAMO-UHFFFAOYSA-N 0 0 314.267 3.381 10 5 DGBERN C[C@H]1CC(=O)Oc2cc(Oc3ncccc3[N+](=O)[O-])ccc21 ZINC000302809761 433868792 /nfs/dbraw/zinc/86/87/92/433868792.db2.gz GQSOIIXIQZTUJR-VIFPVBQESA-N 0 0 300.270 3.195 10 5 DGBERN Cn1cc([C@@H]2CCCN2c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000108946174 294279475 /nfs/dbraw/zinc/27/94/75/294279475.db2.gz WRFGLXIBUBULFK-LBPRGKRZSA-N 0 0 306.753 3.323 10 5 DGBERN O=[N+]([O-])c1ccc(NC[C@H](CO)C2CC2)cc1C(F)(F)F ZINC000357783320 434176961 /nfs/dbraw/zinc/17/69/61/434176961.db2.gz OIBFVKGZSUGSFK-SECBINFHSA-N 0 0 304.268 3.044 10 5 DGBERN CC(=O)c1nc(N[C@@H](C)c2ccccc2[N+](=O)[O-])sc1C ZINC000450419665 434166247 /nfs/dbraw/zinc/16/62/47/434166247.db2.gz IOEHAHMVZVFVGU-QMMMGPOBSA-N 0 0 305.359 3.735 10 5 DGBERN O=[N+]([O-])c1cc(Br)ccc1NCC1=CCOCC1 ZINC000397704023 434440598 /nfs/dbraw/zinc/44/05/98/434440598.db2.gz LAYBXGNBXNAMEB-UHFFFAOYSA-N 0 0 313.151 3.116 10 5 DGBERN CCOc1ccc(C(=O)NCC(C)(C)C(C)C)cc1[N+](=O)[O-] ZINC000438396996 434474647 /nfs/dbraw/zinc/47/46/47/434474647.db2.gz CCXOATXMZBLBSQ-UHFFFAOYSA-N 0 0 308.378 3.406 10 5 DGBERN Cc1cc([N+](=O)[O-])cnc1N1CCO[C@H](C2CCCCC2)C1 ZINC000408197983 434550094 /nfs/dbraw/zinc/55/00/94/434550094.db2.gz LCEKYVITDUKGGZ-HNNXBMFYSA-N 0 0 305.378 3.084 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc([C@H]2CCCOC2)no1 ZINC000445525528 434810094 /nfs/dbraw/zinc/81/00/94/434810094.db2.gz OVLKFKWWPXUHKV-FUWURINLSA-N 0 0 315.329 3.432 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1C(F)(F)F ZINC000575380091 435032393 /nfs/dbraw/zinc/03/23/93/435032393.db2.gz RAXPRJORKUNJPL-UHFFFAOYSA-N 0 0 317.141 3.419 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OCCC2 ZINC000466402406 435075211 /nfs/dbraw/zinc/07/52/11/435075211.db2.gz VTXYWWHKRVNQRL-UHFFFAOYSA-N 0 0 312.325 3.481 10 5 DGBERN CCOc1cc(OC(F)F)c(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575656342 435039953 /nfs/dbraw/zinc/03/99/53/435039953.db2.gz FQMLYMYNNFMGQU-UHFFFAOYSA-N 0 0 317.166 3.494 10 5 DGBERN CC(=O)c1cc(OC(F)F)cc(Br)c1[N+](=O)[O-] ZINC000575683201 435043854 /nfs/dbraw/zinc/04/38/54/435043854.db2.gz MKAJWYFAZVMTMH-UHFFFAOYSA-N 0 0 310.050 3.161 10 5 DGBERN COc1cc(Br)cc([N+](=O)[O-])c1Br ZINC000575694844 435045420 /nfs/dbraw/zinc/04/54/20/435045420.db2.gz MLNGHTIZYLVZKY-UHFFFAOYSA-N 0 0 310.929 3.128 10 5 DGBERN CO[C@@H](c1ccc(F)cc1)[C@@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000557154394 435046223 /nfs/dbraw/zinc/04/62/23/435046223.db2.gz BQFZQIPTSBKFIC-MEBBXXQBSA-N 0 0 305.309 3.317 10 5 DGBERN CCOC(=O)c1cc([N+](=O)[O-])c(CC)cc1Br ZINC000575698999 435047013 /nfs/dbraw/zinc/04/70/13/435047013.db2.gz GEZNAABOZZSUJP-UHFFFAOYSA-N 0 0 302.124 3.096 10 5 DGBERN O=[N+]([O-])c1cnc2c(c1)CN([C@H]1CCCc3ccccc31)CC2 ZINC000580127192 435207772 /nfs/dbraw/zinc/20/77/72/435207772.db2.gz AQBYMBVCACRGGA-SFHVURJKSA-N 0 0 309.369 3.426 10 5 DGBERN CC1(C)CCCC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000579433234 435154340 /nfs/dbraw/zinc/15/43/40/435154340.db2.gz OISCYTMQPHFBIW-GFCCVEGCSA-N 0 0 316.361 3.626 10 5 DGBERN C[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC(C)(C)O1 ZINC000570142927 435592512 /nfs/dbraw/zinc/59/25/12/435592512.db2.gz YXAOVWPCDCURLJ-NSHDSACASA-N 0 0 301.346 3.147 10 5 DGBERN CN(C[C@H]1CC=CCC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000548420700 435692582 /nfs/dbraw/zinc/69/25/82/435692582.db2.gz SSTBJWNWVPDDRZ-AWEZNQCLSA-N 0 0 317.389 3.135 10 5 DGBERN Cc1csc([C@@H]2COCCN2c2ccc([N+](=O)[O-])cc2F)n1 ZINC000189134549 302442299 /nfs/dbraw/zinc/44/22/99/302442299.db2.gz VLDZXKFDDTXUQH-ZDUSSCGKSA-N 0 0 323.349 3.077 10 5 DGBERN CC[C@H](NC(=O)[C@H]1CCC(=O)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000132899412 312654221 /nfs/dbraw/zinc/65/42/21/312654221.db2.gz XRXLAOPYLINELK-UVBJJODRSA-N 0 0 318.373 3.167 10 5 DGBERN O=C1CCN1c1ccc(Nc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000543780574 314157822 /nfs/dbraw/zinc/15/78/22/314157822.db2.gz BUORYPAYLRWMKK-UHFFFAOYSA-N 0 0 319.267 3.353 10 5 DGBERN CC(C)(C)Oc1cc(N2CCO[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000548598149 314458330 /nfs/dbraw/zinc/45/83/30/314458330.db2.gz PHXFHHXRAVHDAT-MRXNPFEDSA-N 0 0 320.389 3.387 10 5 DGBERN CC(C)(C)c1nsc(N2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000548613597 314459746 /nfs/dbraw/zinc/45/97/46/314459746.db2.gz MWUBOHPPBZBVFL-UHFFFAOYSA-N 0 0 318.402 3.307 10 5 DGBERN COc1ccc([N+](=O)[O-])c(N2CCC(C3CCOCC3)CC2)c1 ZINC000549528466 314510197 /nfs/dbraw/zinc/51/01/97/314510197.db2.gz YYEYGGYYLNQGAO-UHFFFAOYSA-N 0 0 320.389 3.246 10 5 DGBERN COc1ccc(C[C@H](C)CNc2ccc([N+](=O)[O-])nc2)cc1 ZINC000550464055 314537751 /nfs/dbraw/zinc/53/77/51/314537751.db2.gz FBIDXWHACDRZHO-LBPRGKRZSA-N 0 0 301.346 3.289 10 5 DGBERN CO[C@@H](c1ccc(F)cc1)[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000557154395 314797867 /nfs/dbraw/zinc/79/78/67/314797867.db2.gz BQFZQIPTSBKFIC-ZUZCIYMTSA-N 0 0 305.309 3.317 10 5 DGBERN CC(C)[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000563670014 315130569 /nfs/dbraw/zinc/13/05/69/315130569.db2.gz WEGQBDJHMQQGRW-CABZTGNLSA-N 0 0 318.295 3.401 10 5 DGBERN CSCCCCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184041208 323353433 /nfs/dbraw/zinc/35/34/33/323353433.db2.gz GRZUSGUAOXIQTM-JTQLQIEISA-N 0 0 314.382 3.097 10 5 DGBERN CCc1noc(C)c1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185153119 323382759 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CCCCC(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000117676988 621430076 /nfs/dbraw/zinc/43/00/76/621430076.db2.gz CSIRLYTURVEWPT-UHFFFAOYSA-N 0 0 304.302 3.483 10 5 DGBERN CCCn1cc(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000121874387 622187912 /nfs/dbraw/zinc/18/79/12/622187912.db2.gz XQDDLJYXKPCAES-UHFFFAOYSA-N 0 0 322.796 3.487 10 5 DGBERN CSCCCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000125805812 623562794 /nfs/dbraw/zinc/56/27/94/623562794.db2.gz QVXGCIJREFUNDG-UHFFFAOYSA-N 0 0 302.783 3.121 10 5 DGBERN CC[C@H]1CCCC[C@@H]1OC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000127922617 624636291 /nfs/dbraw/zinc/63/62/91/624636291.db2.gz DEGTVGJBXAMDMQ-STQMWFEESA-N 0 0 309.366 3.002 10 5 DGBERN CCOCCC1(C(=O)Oc2ccc(OC)cc2[N+](=O)[O-])CCC1 ZINC000132674166 626732885 /nfs/dbraw/zinc/73/28/85/626732885.db2.gz QDWROIPVFOVQBQ-UHFFFAOYSA-N 0 0 323.345 3.106 10 5 DGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)OC1CCCCCCC1 ZINC000102123127 629951198 /nfs/dbraw/zinc/95/11/98/629951198.db2.gz LISDEQJVIWHPNO-UHFFFAOYSA-N 0 0 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659358986 /nfs/dbraw/zinc/35/89/86/659358986.db2.gz NMKXZRHFOOWFIC-LLVKDONJSA-N 0 0 324.381 3.013 10 5 DGBERN C[C@@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000175297754 659918614 /nfs/dbraw/zinc/91/86/14/659918614.db2.gz GHWHRKRPJQTYKF-YPMHNXCESA-N 0 0 321.373 3.474 10 5 DGBERN O=C(NCCCc1cccc(F)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000068180261 659942823 /nfs/dbraw/zinc/94/28/23/659942823.db2.gz KWAHGRAVRUKMNU-UHFFFAOYSA-N 0 0 320.295 3.236 10 5 DGBERN CCCCS[C@@H](C)C(=O)Oc1ccc(OC)cc1[N+](=O)[O-] ZINC000072000230 660160642 /nfs/dbraw/zinc/16/06/42/660160642.db2.gz HUAWFFWMPCOEIH-JTQLQIEISA-N 0 0 313.375 3.431 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000072068591 660166143 /nfs/dbraw/zinc/16/61/43/660166143.db2.gz FDDKDMJEGAKZLH-UHFFFAOYSA-N 0 0 319.248 3.203 10 5 DGBERN O=C1N[C@H](c2ccccc2[N+](=O)[O-])Nc2cc(Cl)ccc21 ZINC000078542367 662074773 /nfs/dbraw/zinc/07/47/73/662074773.db2.gz MLTDYUKZSQGWFH-CYBMUJFWSA-N 0 0 303.705 3.102 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1CCCCCCC1 ZINC000193513392 662136915 /nfs/dbraw/zinc/13/69/15/662136915.db2.gz ARSBDTACAXLLJJ-UHFFFAOYSA-N 0 0 305.378 3.389 10 5 DGBERN CC(C)c1cc(C(=O)O[C@H](C)c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000081853164 662173911 /nfs/dbraw/zinc/17/39/11/662173911.db2.gz PUXRBODAGWVIEH-LLVKDONJSA-N 0 0 317.345 3.370 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C1CCCCCCC1 ZINC000195290391 662183089 /nfs/dbraw/zinc/18/30/89/662183089.db2.gz XQOALSDOEDRBII-UHFFFAOYSA-N 0 0 305.378 3.483 10 5 DGBERN Cc1ccc(OC(=O)CSCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000090447100 662263729 /nfs/dbraw/zinc/26/37/29/662263729.db2.gz JLHBIXKHROUKMW-UHFFFAOYSA-N 0 0 309.265 3.104 10 5 DGBERN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccs1 ZINC000014602871 685046788 /nfs/dbraw/zinc/04/67/88/685046788.db2.gz JPMLPXRTVIEZQQ-QMMMGPOBSA-N 0 0 321.314 3.056 10 5 DGBERN O=[N+]([O-])c1ccc(Br)cc1NCc1ccncc1 ZINC000087834144 1176951375 /nfs/dbraw/zinc/95/13/75/1176951375.db2.gz DJVVVGOSOOHQKZ-UHFFFAOYSA-N 0 0 308.135 3.364 10 5 DGBERN COC(=O)C[C@@H](C)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000388560741 1178073849 /nfs/dbraw/zinc/07/38/49/1178073849.db2.gz OYBOOBPPXCFGQS-ZCFIWIBFSA-N 0 0 307.133 3.265 10 5 DGBERN O=C(Nc1ccc(O)cc1Cl)c1cc(F)ccc1[N+](=O)[O-] ZINC000070334184 1195863185 /nfs/dbraw/zinc/86/31/85/1195863185.db2.gz IPAXOQAHEUFTRB-UHFFFAOYSA-N 0 0 310.668 3.345 10 5 DGBERN C[C@H](Cc1ccsc1)N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000081402827 1197215287 /nfs/dbraw/zinc/21/52/87/1197215287.db2.gz CJISFFIDGFWGSJ-LLVKDONJSA-N 0 0 304.371 3.360 10 5 DGBERN O=C(NCC=C(Cl)Cl)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000407121100 1199635991 /nfs/dbraw/zinc/63/59/91/1199635991.db2.gz JFUYPEMZNBPCRF-UHFFFAOYSA-N 0 0 309.536 3.297 10 5 DGBERN O=Cc1ccc([N+](=O)[O-])c(OCCOCc2ccccc2)c1 ZINC000309731506 1199708707 /nfs/dbraw/zinc/70/87/07/1199708707.db2.gz PHIDMUOQDIRSEB-UHFFFAOYSA-N 0 0 301.298 3.003 10 5 DGBERN C[C@H](CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C(C)(C)C ZINC000125980687 1200476817 /nfs/dbraw/zinc/47/68/17/1200476817.db2.gz VJNCCTNHJKPVIU-MRVPVSSYSA-N 0 0 313.785 3.242 10 5 DGBERN CCCCOCCNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000255435755 1203844323 /nfs/dbraw/zinc/84/43/23/1203844323.db2.gz OTFLLBFOOQCIFX-VURMDHGXSA-N 0 0 322.361 3.010 10 5 DGBERN COC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1Cl)c1ccncc1 ZINC000588425223 1082224457 /nfs/dbraw/zinc/22/44/57/1082224457.db2.gz AEIOUCJBBLXTAW-JYRVWZFOSA-N 0 0 318.716 3.357 10 5 DGBERN CCCn1nccc1NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588436597 1082270172 /nfs/dbraw/zinc/27/01/72/1082270172.db2.gz IWBHYSHKKGUEAP-QXMHVHEDSA-N 0 0 314.345 3.243 10 5 DGBERN CCN(C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000588438619 1082284214 /nfs/dbraw/zinc/28/42/14/1082284214.db2.gz STNNSRPFVSGYCD-SEYXRHQNSA-N 0 0 311.341 3.446 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NOCc1ccccc1 ZINC000588444780 1082289274 /nfs/dbraw/zinc/28/92/74/1082289274.db2.gz BVELYUKQIXUYPQ-ACCUITESSA-N 0 0 312.325 3.246 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCC[C@H]1CCCO1 ZINC000588447887 1082317857 /nfs/dbraw/zinc/31/78/57/1082317857.db2.gz WLROBQDCGCTANN-AYJWMTRPSA-N 0 0 305.330 3.110 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC[C@]1(C)CCCO1 ZINC000588447786 1082318013 /nfs/dbraw/zinc/31/80/13/1082318013.db2.gz ZXDBQZMKYDGKOK-DMIOIOJGSA-N 0 0 305.330 3.110 10 5 DGBERN Cc1cccnc1/C=C\C(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC000588455175 1082331704 /nfs/dbraw/zinc/33/17/04/1082331704.db2.gz JKMACDHKUFVLPZ-HJWRWDBZSA-N 0 0 312.325 3.097 10 5 DGBERN CCc1ccc(OC(=O)/C=C\c2ncccc2C)c([N+](=O)[O-])c1 ZINC000588456335 1082332927 /nfs/dbraw/zinc/33/29/27/1082332927.db2.gz NMKNWODANVRAGU-CLFYSBASSA-N 0 0 312.325 3.479 10 5 DGBERN Cn1cc(CCNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000096620790 1097512455 /nfs/dbraw/zinc/51/24/55/1097512455.db2.gz GJGCNMPSFUEMNY-UHFFFAOYSA-N 0 0 323.352 3.059 10 5 DGBERN C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000081402706 1101702523 /nfs/dbraw/zinc/70/25/23/1101702523.db2.gz DURUHJMWBTUYTO-JTQLQIEISA-N 0 0 322.361 3.499 10 5 DGBERN Cc1cc(NCCc2nc(-c3ccccc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000162141079 197547736 /nfs/dbraw/zinc/54/77/36/197547736.db2.gz WUEACCDXUDNJNS-UHFFFAOYSA-N 0 0 323.356 3.343 10 5 DGBERN CCc1ccc(-c2nc(-c3cncs3)no2)cc1[N+](=O)[O-] ZINC000445597569 529575373 /nfs/dbraw/zinc/57/53/73/529575373.db2.gz REJKATIMUOREQK-UHFFFAOYSA-N 0 0 302.315 3.331 10 5 DGBERN CCc1ccc(CCNc2cc(CO)ccc2[N+](=O)[O-])cc1 ZINC000302077431 529630322 /nfs/dbraw/zinc/63/03/22/529630322.db2.gz YUTUKVNZEZDICY-UHFFFAOYSA-N 0 0 300.358 3.304 10 5 DGBERN CC[C@H](NC(=O)Cc1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000090466288 185298033 /nfs/dbraw/zinc/29/80/33/185298033.db2.gz GRLDEPAOBBGRDI-HNNXBMFYSA-N 0 0 317.345 3.010 10 5 DGBERN CC[C@H](NC(=O)N[C@@H](C)CSC)c1cccc([N+](=O)[O-])c1 ZINC000090584501 185305027 /nfs/dbraw/zinc/30/50/27/185305027.db2.gz KUUYGKQPVXRAAW-GWCFXTLKSA-N 0 0 311.407 3.097 10 5 DGBERN CC[C@H](NC(=O)NC[C@H]1CCCS1)c1cccc([N+](=O)[O-])c1 ZINC000090611336 185306688 /nfs/dbraw/zinc/30/66/88/185306688.db2.gz BHXDDUSWCPYMAX-KGLIPLIRSA-N 0 0 323.418 3.241 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1-c1n[nH]c(-c2ccc(F)cc2)n1 ZINC000072237771 191080865 /nfs/dbraw/zinc/08/08/65/191080865.db2.gz ZRMWCDDLTOYIHJ-UHFFFAOYSA-N 0 0 314.276 3.195 10 5 DGBERN COc1ccc(-c2nc(-c3cccs3)n[nH]2)cc1[N+](=O)[O-] ZINC000072237736 191080917 /nfs/dbraw/zinc/08/09/17/191080917.db2.gz NRCLOVNBMGRZAK-UHFFFAOYSA-N 0 0 302.315 3.117 10 5 DGBERN COc1ccc(-c2nnc(-c3cccc(C)c3)[nH]2)cc1[N+](=O)[O-] ZINC000072237732 191080111 /nfs/dbraw/zinc/08/01/11/191080111.db2.gz BSGKOZCEMZQLPJ-UHFFFAOYSA-N 0 0 310.313 3.364 10 5 DGBERN O=[N+]([O-])c1ccc(Oc2c(F)c(F)nc(F)c2F)c(F)c1 ZINC000084693412 192458299 /nfs/dbraw/zinc/45/82/99/192458299.db2.gz WSAVXUQJYZOMDP-UHFFFAOYSA-N 0 0 306.146 3.478 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000152688370 186097357 /nfs/dbraw/zinc/09/73/57/186097357.db2.gz IFXFZKWCHUJZLG-ZIAGYGMSSA-N 0 0 324.764 3.032 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)[C@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000177851770 186193647 /nfs/dbraw/zinc/19/36/47/186193647.db2.gz UDCYLFZNTVPSEY-OLZOCXBDSA-N 0 0 313.357 3.279 10 5 DGBERN Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000130487554 432025645 /nfs/dbraw/zinc/02/56/45/432025645.db2.gz GXAFWNCWTLJVQE-JTQLQIEISA-N 0 0 303.366 3.423 10 5 DGBERN C[C@H]1CN(c2ncccc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000266289177 290913155 /nfs/dbraw/zinc/91/31/55/290913155.db2.gz WFEBTCCGRMRGTM-NHYWBVRUSA-N 0 0 317.320 3.095 10 5 DGBERN O=C(c1csc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nccs1 ZINC000172213005 198058634 /nfs/dbraw/zinc/05/86/34/198058634.db2.gz DASFGUPRMAORME-SNVBAGLBSA-N 0 0 323.399 3.480 10 5 DGBERN C[C@@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1C ZINC000173008421 198176439 /nfs/dbraw/zinc/17/64/39/198176439.db2.gz ANFSWVNRTNABBD-GHMZBOCLSA-N 0 0 301.346 3.337 10 5 DGBERN C[C@@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1C ZINC000173008434 198176601 /nfs/dbraw/zinc/17/66/01/198176601.db2.gz ANFSWVNRTNABBD-MNOVXSKESA-N 0 0 301.346 3.337 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCS[C@@H](C(C)C)C1 ZINC000174263530 198311971 /nfs/dbraw/zinc/31/19/71/198311971.db2.gz ATMQRJKRQYBWFM-CQSZACIVSA-N 0 0 308.403 3.117 10 5 DGBERN CC[C@H](NC(=O)Nc1nnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000175185835 198441049 /nfs/dbraw/zinc/44/10/49/198441049.db2.gz CLRSCJARBMSPFS-NSHDSACASA-N 0 0 321.362 3.028 10 5 DGBERN CCN(CCc1nccs1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000131361143 432036750 /nfs/dbraw/zinc/03/67/50/432036750.db2.gz XUYJJRVGVPVNLK-UHFFFAOYSA-N 0 0 319.386 3.065 10 5 DGBERN CC[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1nccs1 ZINC000131772317 432037558 /nfs/dbraw/zinc/03/75/58/432037558.db2.gz FMEMWQXJOLVFBK-LLVKDONJSA-N 0 0 305.359 3.241 10 5 DGBERN Cc1ccc([C@H](C)OC(=O)CC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000176946211 198641199 /nfs/dbraw/zinc/64/11/99/198641199.db2.gz BTMKZMSVSBNCMC-QWHCGFSZSA-N 0 0 307.346 3.324 10 5 DGBERN CCOc1ccc(C(=O)N2C[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000075292080 191457205 /nfs/dbraw/zinc/45/72/05/191457205.db2.gz CSDWJGPNKCAJHO-NEPJUHHUSA-N 0 0 306.362 3.254 10 5 DGBERN Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1 ZINC000005109111 181204389 /nfs/dbraw/zinc/20/43/89/181204389.db2.gz ZGZOHRPRFUOPGN-GFCCVEGCSA-N 0 0 300.314 3.309 10 5 DGBERN Cc1cc(C)cc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000005535107 181254712 /nfs/dbraw/zinc/25/47/12/181254712.db2.gz NPIIYPMGKRIVDF-UHFFFAOYSA-N 0 0 315.285 3.372 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](OCCC(C)C)C1 ZINC000081610105 192302576 /nfs/dbraw/zinc/30/25/76/192302576.db2.gz IKEVLOJSVHTZPU-OAHLLOKOSA-N 0 0 320.389 3.180 10 5 DGBERN Cc1ccc(CN(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)o1 ZINC000170639242 432074700 /nfs/dbraw/zinc/07/47/00/432074700.db2.gz WUZKTEFSFVDMBF-UHFFFAOYSA-N 0 0 315.329 3.017 10 5 DGBERN CCc1ccc([C@@H](C)NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000180597224 432091232 /nfs/dbraw/zinc/09/12/32/432091232.db2.gz CRJKJJXLYQDHEC-LLVKDONJSA-N 0 0 313.357 3.230 10 5 DGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@@H]1CCCO[C@H]1C ZINC000192235180 200839715 /nfs/dbraw/zinc/83/97/15/200839715.db2.gz JPPYPWHYORRDJA-VHSXEESVSA-N 0 0 313.737 3.277 10 5 DGBERN Cc1ccc(-n2cnnn2)cc1N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000192765470 200936811 /nfs/dbraw/zinc/93/68/11/200936811.db2.gz JDMCXXZUIOKGJT-GFCCVEGCSA-N 0 0 324.344 3.052 10 5 DGBERN CC[C@@H](NC(=O)NCC1(SC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000195013687 201327126 /nfs/dbraw/zinc/32/71/26/201327126.db2.gz ZJCLOORDHVZFQT-CYBMUJFWSA-N 0 0 323.418 3.241 10 5 DGBERN O=C1c2ccccc2N[C@H](c2ccc([N+](=O)[O-])s2)N1C1CC1 ZINC000180754539 432099480 /nfs/dbraw/zinc/09/94/80/432099480.db2.gz RXHXHKDCLHPJJD-AWEZNQCLSA-N 0 0 315.354 3.385 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(F)cc1F ZINC000195067685 201332753 /nfs/dbraw/zinc/33/27/53/201332753.db2.gz VSQJBVCUJXPDDJ-SECBINFHSA-N 0 0 321.283 3.067 10 5 DGBERN O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1F ZINC000006537191 181351328 /nfs/dbraw/zinc/35/13/28/181351328.db2.gz MDHRTYNAFQKZAM-UHFFFAOYSA-N 0 0 324.695 3.405 10 5 DGBERN CSCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000070718343 283737756 /nfs/dbraw/zinc/73/77/56/283737756.db2.gz RZVBJRIOYMLWCT-UHFFFAOYSA-N 0 0 323.399 3.410 10 5 DGBERN CC[C@@H](CSC)N(C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000091149793 193005380 /nfs/dbraw/zinc/00/53/80/193005380.db2.gz OQBUDDQXEWJZKT-VIFPVBQESA-N 0 0 302.421 3.178 10 5 DGBERN C[C@H](C1CC1)n1nccc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000077561363 283852654 /nfs/dbraw/zinc/85/26/54/283852654.db2.gz DGQFWAVFLZAJOO-SECBINFHSA-N 0 0 318.308 3.154 10 5 DGBERN Cc1sc(C(=O)N2CCc3cc(F)ccc3C2)cc1[N+](=O)[O-] ZINC000092007506 193141324 /nfs/dbraw/zinc/14/13/24/193141324.db2.gz KIZLOVLDTTYSDJ-UHFFFAOYSA-N 0 0 320.345 3.302 10 5 DGBERN Cc1sccc1CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000452185326 241343800 /nfs/dbraw/zinc/34/38/00/241343800.db2.gz LBXDQHCLPXMYHF-JTQLQIEISA-N 0 0 304.371 3.385 10 5 DGBERN Cc1ccccc1CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103377412 284028830 /nfs/dbraw/zinc/02/88/30/284028830.db2.gz JKCCQYFUCXVYLL-ZDUSSCGKSA-N 0 0 310.353 3.424 10 5 DGBERN CC(C)CCO[C@H](C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103375443 284028892 /nfs/dbraw/zinc/02/88/92/284028892.db2.gz TWAWCEXUZZZDQY-QWHCGFSZSA-N 0 0 320.389 3.324 10 5 DGBERN CCc1ccc(C(=O)N[C@@H](C(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000469934820 244133661 /nfs/dbraw/zinc/13/36/61/244133661.db2.gz YJZLEGQKPBAPRC-LBPRGKRZSA-N 0 0 318.295 3.474 10 5 DGBERN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCO[C@H](C2CC2)C1 ZINC000470217374 244159567 /nfs/dbraw/zinc/15/95/67/244159567.db2.gz YYTKPLGRRAIEAP-VEMDQMBVSA-N 0 0 302.374 3.109 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCOC1CCCCCC1 ZINC000118361270 284128354 /nfs/dbraw/zinc/12/83/54/284128354.db2.gz YVSJJNVXOKKGCR-UHFFFAOYSA-N 0 0 320.389 3.372 10 5 DGBERN Cc1csc([C@@H](C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000094771978 193396387 /nfs/dbraw/zinc/39/63/87/193396387.db2.gz WNFOWXNNSKSKMI-MRVPVSSYSA-N 0 0 303.347 3.409 10 5 DGBERN Cc1csc([C@H](C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000094771979 193396471 /nfs/dbraw/zinc/39/64/71/193396471.db2.gz WNFOWXNNSKSKMI-QMMMGPOBSA-N 0 0 303.347 3.409 10 5 DGBERN CC1(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000123337573 284236575 /nfs/dbraw/zinc/23/65/75/284236575.db2.gz ULDUSNCZVHXODO-UHFFFAOYSA-N 0 0 317.389 3.459 10 5 DGBERN O=C(N[C@H]1CCCC(F)(F)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000488960441 245254313 /nfs/dbraw/zinc/25/43/13/245254313.db2.gz KTBYDWRHDZNDRX-JTQLQIEISA-N 0 0 323.299 3.384 10 5 DGBERN CC(C)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000124542636 284260794 /nfs/dbraw/zinc/26/07/94/284260794.db2.gz KDHPVGRGYBUVGU-MRVPVSSYSA-N 0 0 304.268 3.388 10 5 DGBERN O=[N+]([O-])c1cc(F)ccc1N1CC[C@H](CNc2ccccn2)C1 ZINC000171365127 432124982 /nfs/dbraw/zinc/12/49/82/432124982.db2.gz BNBPTEBPQOZGKU-GFCCVEGCSA-N 0 0 316.336 3.067 10 5 DGBERN COc1cc([N+](=O)[O-])ccc1NC(=S)N1C[C@H](C)C[C@@H](C)C1 ZINC000013827374 181903669 /nfs/dbraw/zinc/90/36/69/181903669.db2.gz PZZAXGPXLCWCEF-GHMZBOCLSA-N 0 0 323.418 3.278 10 5 DGBERN C[C@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)O1 ZINC000127036213 284325308 /nfs/dbraw/zinc/32/53/08/284325308.db2.gz HKNPKZAZBMZJGY-STQMWFEESA-N 0 0 316.357 3.464 10 5 DGBERN CCC[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000267723764 206242160 /nfs/dbraw/zinc/24/21/60/206242160.db2.gz VCWBSKAFNSCKHJ-GXFFZTMASA-N 0 0 305.334 3.152 10 5 DGBERN CC(C)N(CCc1nccs1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000151443603 284564173 /nfs/dbraw/zinc/56/41/73/284564173.db2.gz PJQUNZLZVPIENE-UHFFFAOYSA-N 0 0 319.386 3.145 10 5 DGBERN COc1ccccc1Nc1ncnc(NC(C)(C)C)c1[N+](=O)[O-] ZINC000040581714 183105440 /nfs/dbraw/zinc/10/54/40/183105440.db2.gz QRZNSAGAOYYXMW-UHFFFAOYSA-N 0 0 317.349 3.347 10 5 DGBERN CCCCNc1ncnc(Nc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000040595219 183106831 /nfs/dbraw/zinc/10/68/31/183106831.db2.gz GUBYUQKDPNWCOV-UHFFFAOYSA-N 0 0 305.313 3.480 10 5 DGBERN CCCNc1ncnc(Nc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000040597168 183107087 /nfs/dbraw/zinc/10/70/87/183107087.db2.gz QKLLPAROTMIEAS-UHFFFAOYSA-N 0 0 309.276 3.229 10 5 DGBERN CCCNc1ncnc(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000040597171 183107409 /nfs/dbraw/zinc/10/74/09/183107409.db2.gz BTPWNEYOMLGSEB-UHFFFAOYSA-N 0 0 309.276 3.229 10 5 DGBERN CCN(CC)c1ncnc(Nc2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000040608214 183108605 /nfs/dbraw/zinc/10/86/05/183108605.db2.gz AHHRXPAQTHOPFD-UHFFFAOYSA-N 0 0 323.303 3.253 10 5 DGBERN CC(C)CN(CC(C)C)c1ncnc(N2CCCC2)c1[N+](=O)[O-] ZINC000040608924 183108848 /nfs/dbraw/zinc/10/88/48/183108848.db2.gz KMNCASRVGSCYOG-UHFFFAOYSA-N 0 0 321.425 3.103 10 5 DGBERN O=[N+]([O-])c1c(Nc2ccc(F)cc2F)ncnc1N1CCCC1 ZINC000040609305 183108866 /nfs/dbraw/zinc/10/88/66/183108866.db2.gz VDOOOSIOLSQVHU-UHFFFAOYSA-N 0 0 321.287 3.007 10 5 DGBERN O=[N+]([O-])c1c(Nc2ccccc2)ncnc1Nc1cccnc1 ZINC000040628273 183110737 /nfs/dbraw/zinc/11/07/37/183110737.db2.gz PEFSDWNKLNSWDY-UHFFFAOYSA-N 0 0 308.301 3.267 10 5 DGBERN CCOc1ccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000040869285 183145431 /nfs/dbraw/zinc/14/54/31/183145431.db2.gz RQVFSPUDOOVEGE-UHFFFAOYSA-N 0 0 316.313 3.011 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1OCc1nc(-c2ccoc2)no1 ZINC000105573472 194111371 /nfs/dbraw/zinc/11/13/71/194111371.db2.gz MAEXCSKBGXNCIH-UHFFFAOYSA-N 0 0 301.258 3.125 10 5 DGBERN C[C@@H]1CCCCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000408166122 296303909 /nfs/dbraw/zinc/30/39/09/296303909.db2.gz XBPVAMLHJPTKPE-LLVKDONJSA-N 0 0 301.346 3.481 10 5 DGBERN O=C1COc2cc([N+](=O)[O-])c(NC3CCCCCC3)cc2N1 ZINC000097027692 284830060 /nfs/dbraw/zinc/83/00/60/284830060.db2.gz SAGBRQHJLZRFTR-UHFFFAOYSA-N 0 0 305.334 3.060 10 5 DGBERN Cc1ccc(C(=O)N[C@@H]2CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000055683137 183994381 /nfs/dbraw/zinc/99/43/81/183994381.db2.gz UPGWZACHTAVRDO-OAHLLOKOSA-N 0 0 314.316 3.460 10 5 DGBERN O=C1CCN(Cc2c(F)cccc2[N+](=O)[O-])c2ccccc2N1 ZINC000118846016 296323146 /nfs/dbraw/zinc/32/31/46/296323146.db2.gz VXHDZYQHFBORNT-UHFFFAOYSA-N 0 0 315.304 3.083 10 5 DGBERN CC(=O)C[C@@H]1c2ccccc2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000064873829 184305921 /nfs/dbraw/zinc/30/59/21/184305921.db2.gz YQQIAEDZPCGEAC-MRXNPFEDSA-N 0 0 310.309 3.275 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(C)c1NCc1nc(-c2ccoc2)no1 ZINC000085288896 252596944 /nfs/dbraw/zinc/59/69/44/252596944.db2.gz QTRHZQRNKPJDIY-UHFFFAOYSA-N 0 0 314.301 3.467 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)CC[C@H]1C ZINC000091901081 252616360 /nfs/dbraw/zinc/61/63/60/252616360.db2.gz OIOBFNYHGZXTQD-WDEREUQCSA-N 0 0 307.350 3.256 10 5 DGBERN O=[N+]([O-])c1ccccc1CNCc1ccn(Cc2ccccc2)n1 ZINC000341265053 253776595 /nfs/dbraw/zinc/77/65/95/253776595.db2.gz GDPPICISIOBPCV-UHFFFAOYSA-N 0 0 322.368 3.129 10 5 DGBERN CC(=O)c1cc(N2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000342802658 254054666 /nfs/dbraw/zinc/05/46/66/254054666.db2.gz OXQVCWJXMXWHGT-ZIAGYGMSSA-N 0 0 318.373 3.050 10 5 DGBERN O=[N+]([O-])c1ccc(NCCCCOCc2ccccc2)cn1 ZINC000344444920 254271578 /nfs/dbraw/zinc/27/15/78/254271578.db2.gz WQHCXSCFPUKHLR-UHFFFAOYSA-N 0 0 301.346 3.399 10 5 DGBERN COC(=O)[C@@]12CCC[C@H]1CN(c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000302151027 533154098 /nfs/dbraw/zinc/15/40/98/533154098.db2.gz HQSRQIHCRSJGLV-ZUZCIYMTSA-N 0 0 324.764 3.028 10 5 DGBERN CCc1noc(C)c1NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000120849725 195249640 /nfs/dbraw/zinc/24/96/40/195249640.db2.gz WOZDIYURQNIVSR-UHFFFAOYSA-N 0 0 321.358 3.428 10 5 DGBERN COc1cccc(C(=O)N(C)C[C@@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000436036961 533395086 /nfs/dbraw/zinc/39/50/86/533395086.db2.gz JFMFKWKAOSJFBV-GFCCVEGCSA-N 0 0 304.346 3.032 10 5 DGBERN Cc1ccc(OCCN(C)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000016966459 400176927 /nfs/dbraw/zinc/17/69/27/400176927.db2.gz KKCVHXSZSADKNF-UHFFFAOYSA-N 0 0 314.341 3.054 10 5 DGBERN COC(=O)c1cc(C)nc(N[C@H](C)c2ccsc2)c1[N+](=O)[O-] ZINC000588043183 400183001 /nfs/dbraw/zinc/18/30/01/400183001.db2.gz UYETXWBDDLXYJU-SECBINFHSA-N 0 0 321.358 3.319 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1OCc1nc2ccccc2o1 ZINC000008225155 400121489 /nfs/dbraw/zinc/12/14/89/400121489.db2.gz MDUJVFNXQLDBLX-UHFFFAOYSA-N 0 0 300.270 3.324 10 5 DGBERN Cc1c(NCC(=O)Nc2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC000011550144 400143954 /nfs/dbraw/zinc/14/39/54/400143954.db2.gz HRDURRCBUGUDOZ-UHFFFAOYSA-N 0 0 321.283 3.232 10 5 DGBERN Cc1[nH]nc(C(=O)N(C)c2cccc3ccccc32)c1[N+](=O)[O-] ZINC000609166910 400147473 /nfs/dbraw/zinc/14/74/73/400147473.db2.gz OWLPPOPXOLBLJN-UHFFFAOYSA-N 0 0 310.313 3.056 10 5 DGBERN Cc1cnc(N2C[C@H](c3ccccc3)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000610516402 400269340 /nfs/dbraw/zinc/26/93/40/400269340.db2.gz MOELRQAKSKHHJR-XJKSGUPXSA-N 0 0 313.357 3.265 10 5 DGBERN O=[N+]([O-])c1c(Br)ccc(OC(F)(F)F)c1F ZINC000396055191 400281827 /nfs/dbraw/zinc/28/18/27/400281827.db2.gz JZYCEQAJDKBKMG-UHFFFAOYSA-N 0 0 303.993 3.395 10 5 DGBERN COc1cc(Cl)c(OC)c2c(Cl)c([N+](=O)[O-])cnc12 ZINC000098061824 400289711 /nfs/dbraw/zinc/28/97/11/400289711.db2.gz FDFXRNLPRPTRFG-UHFFFAOYSA-N 0 0 303.101 3.467 10 5 DGBERN CCOc1cccc(CCNc2ccc([N+](=O)[O-])cc2F)n1 ZINC000610755530 400302025 /nfs/dbraw/zinc/30/20/25/400302025.db2.gz OQGXAEKEMFKAEE-UHFFFAOYSA-N 0 0 305.309 3.182 10 5 DGBERN CO[C@@H](CNc1ccc([N+](=O)[O-])nc1)c1ccccc1Cl ZINC000610785776 400305689 /nfs/dbraw/zinc/30/56/89/400305689.db2.gz GRISYBQFFKQLOD-ZDUSSCGKSA-N 0 0 307.737 3.443 10 5 DGBERN O=[N+]([O-])c1cccc(Br)c1N[C@@H]1CCC[C@@H](O)C1 ZINC000596081893 400312412 /nfs/dbraw/zinc/31/24/12/400312412.db2.gz BHYISGJMXAGHJH-RKDXNWHRSA-N 0 0 315.167 3.073 10 5 DGBERN CC(C)(C)OC(=O)NCCCCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536956404 400314917 /nfs/dbraw/zinc/31/49/17/400314917.db2.gz ZHGFNJXCLCVJTH-UHFFFAOYSA-N 0 0 322.361 3.473 10 5 DGBERN CC(=O)c1ccc2c(c1)CCN(c1ccsc1[N+](=O)[O-])CC2 ZINC000611116206 400347707 /nfs/dbraw/zinc/34/77/07/400347707.db2.gz DVIXMGXAYKPCHQ-UHFFFAOYSA-N 0 0 316.382 3.464 10 5 DGBERN C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000112251340 400372298 /nfs/dbraw/zinc/37/22/98/400372298.db2.gz USZAJDQUKRCJKC-SNVBAGLBSA-N 0 0 305.378 3.334 10 5 DGBERN C[C@@H]1C[C@@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000611518052 400414074 /nfs/dbraw/zinc/41/40/74/400414074.db2.gz FDITVEIGXRUBFP-KGLIPLIRSA-N 0 0 304.390 3.374 10 5 DGBERN O=[N+]([O-])c1ccsc1NCc1ccccc1-n1cccn1 ZINC000611412468 400396191 /nfs/dbraw/zinc/39/61/91/400396191.db2.gz QXZQWSJHXCOFOR-UHFFFAOYSA-N 0 0 300.343 3.454 10 5 DGBERN CO[C@H](c1ccccc1F)[C@@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000611415327 400396888 /nfs/dbraw/zinc/39/68/88/400396888.db2.gz HSDBLXPWMWYOIY-BMIGLBTASA-N 0 0 305.309 3.317 10 5 DGBERN O=[N+]([O-])c1cccc([C@@H](NCc2cocn2)c2ccccc2)c1 ZINC000611521236 400415350 /nfs/dbraw/zinc/41/53/50/400415350.db2.gz XJZOHZOSCJROFX-KRWDZBQOSA-N 0 0 309.325 3.462 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@H]1CC=CCC1 ZINC000612144575 400499254 /nfs/dbraw/zinc/49/92/54/400499254.db2.gz HRYIFNNTRCTSEI-AWEZNQCLSA-N 0 0 317.389 3.130 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@@H]1CC=CCC1 ZINC000612144576 400499332 /nfs/dbraw/zinc/49/93/32/400499332.db2.gz HRYIFNNTRCTSEI-CQSZACIVSA-N 0 0 317.389 3.130 10 5 DGBERN Cc1ccc([C@H](C)CNC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000127521541 400503606 /nfs/dbraw/zinc/50/36/06/400503606.db2.gz STXMFFPMGIQIBC-GFCCVEGCSA-N 0 0 313.357 3.140 10 5 DGBERN COc1ccc2c(c1)CCN2c1ncc([N+](=O)[O-])cc1Cl ZINC000122709599 400464269 /nfs/dbraw/zinc/46/42/69/400464269.db2.gz GBKKRTGLANVVLF-UHFFFAOYSA-N 0 0 305.721 3.346 10 5 DGBERN Cc1ccc(OC[C@H](O)COc2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000122823707 400464496 /nfs/dbraw/zinc/46/44/96/400464496.db2.gz KZNXYOVKZKDYGC-AWEZNQCLSA-N 0 0 317.341 3.030 10 5 DGBERN Cc1ccc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)s1 ZINC000126990209 400498648 /nfs/dbraw/zinc/49/86/48/400498648.db2.gz ZMMFDAHHALZBRZ-SECBINFHSA-N 0 0 319.386 3.029 10 5 DGBERN CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1nccs1 ZINC000131621899 400552274 /nfs/dbraw/zinc/55/22/74/400552274.db2.gz HNAUWMMCURJGCE-NSHDSACASA-N 0 0 305.359 3.241 10 5 DGBERN CCOc1ccc(C(=O)NC[C@@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000358032073 285952319 /nfs/dbraw/zinc/95/23/19/285952319.db2.gz GVLAQGXCKHVBPM-NWDGAFQWSA-N 0 0 306.362 3.160 10 5 DGBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1C1CCCCC1 ZINC000151355616 400672304 /nfs/dbraw/zinc/67/23/04/400672304.db2.gz OKZYJJMNSVVDLQ-GJZGRUSLSA-N 0 0 302.374 3.427 10 5 DGBERN O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CCC[C@H](O)C1 ZINC000603865162 400726372 /nfs/dbraw/zinc/72/63/72/400726372.db2.gz CDXBTHQTSUAUCY-UWVGGRQHSA-N 0 0 315.167 3.073 10 5 DGBERN O=C(NCCCc1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000161576916 400741280 /nfs/dbraw/zinc/74/12/80/400741280.db2.gz KZRLCLQBLIUAOA-UHFFFAOYSA-N 0 0 323.352 3.439 10 5 DGBERN O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(C(F)(F)F)cc1 ZINC000169376364 400759048 /nfs/dbraw/zinc/75/90/48/400759048.db2.gz HKCGJKNZQDBZFT-UHFFFAOYSA-N 0 0 317.248 3.322 10 5 DGBERN CC[C@@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000172350737 400822835 /nfs/dbraw/zinc/82/28/35/400822835.db2.gz BHAMXTGADMIVER-LLVKDONJSA-N 0 0 320.374 3.002 10 5 DGBERN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C(C)C)cc1OC ZINC000172445823 400826947 /nfs/dbraw/zinc/82/69/47/400826947.db2.gz BUJLXDPUGFWYDM-LLVKDONJSA-N 0 0 324.377 3.024 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1NCCOc1ccc(F)cc1 ZINC000619539328 400863587 /nfs/dbraw/zinc/86/35/87/400863587.db2.gz NYZPBSOUCLPUEQ-UHFFFAOYSA-N 0 0 306.293 3.233 10 5 DGBERN CC[C@@H](NC(=O)Nc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000175187240 400865541 /nfs/dbraw/zinc/86/55/41/400865541.db2.gz GSLWMTUNQWPJET-CYBMUJFWSA-N 0 0 300.318 3.263 10 5 DGBERN Cc1csc(N2CCCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000057148344 400975060 /nfs/dbraw/zinc/97/50/60/400975060.db2.gz UALBJNPYMNRAGH-UHFFFAOYSA-N 0 0 318.402 3.076 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000088727962 401206863 /nfs/dbraw/zinc/20/68/63/401206863.db2.gz WXNOUTHZDHZUFP-LBPRGKRZSA-N 0 0 306.362 3.071 10 5 DGBERN C[C@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C[C@@H]1O ZINC000089424388 401221743 /nfs/dbraw/zinc/22/17/43/401221743.db2.gz LCJABQYGRNCPPC-UGSOOPFHSA-N 0 0 320.392 3.231 10 5 DGBERN Cc1ccccc1[C@H]1CN(c2ccc([N+](=O)[O-])nc2)[C@H](C)CO1 ZINC000359534834 286329252 /nfs/dbraw/zinc/32/92/52/286329252.db2.gz SNEGHYROPOIJFE-CZUORRHYSA-N 0 0 313.357 3.265 10 5 DGBERN Cc1cc(NCCc2cn[nH]c2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359965964 286398462 /nfs/dbraw/zinc/39/84/62/286398462.db2.gz HZJPTAWFCIHYTR-UHFFFAOYSA-N 0 0 314.267 3.300 10 5 DGBERN CCn1c(C)nc([N+](=O)[O-])c1NCc1cc(Cl)ccc1OC ZINC000360962056 286563009 /nfs/dbraw/zinc/56/30/09/286563009.db2.gz VQYLAOAGHOLDPQ-UHFFFAOYSA-N 0 0 324.768 3.394 10 5 DGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000361073782 286591167 /nfs/dbraw/zinc/59/11/67/286591167.db2.gz MRUUUVDAVKLUPH-ZIAGYGMSSA-N 0 0 318.373 3.050 10 5 DGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000173016249 164683083 /nfs/dbraw/zinc/68/30/83/164683083.db2.gz IUKZKWAFSCKSME-NVXWUHKLSA-N 0 0 310.353 3.057 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1COc2ccccc21 ZINC000183408292 164952092 /nfs/dbraw/zinc/95/20/92/164952092.db2.gz IMXLMWOFPIFPCA-YBHKSSGVSA-N 0 0 324.336 3.248 10 5 DGBERN CC(C)C[C@@H](C)C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000185324451 165000832 /nfs/dbraw/zinc/00/08/32/165000832.db2.gz MXMDMEPQZMHVTF-GFCCVEGCSA-N 0 0 316.361 3.401 10 5 DGBERN O=[N+]([O-])c1ccc(OC[C@H](O)C(F)(F)F)c2ccccc21 ZINC000185683401 165012480 /nfs/dbraw/zinc/01/24/80/165012480.db2.gz PCRPWBCREGAFJK-LBPRGKRZSA-N 0 0 301.220 3.050 10 5 DGBERN O=[N+]([O-])c1cc(CN2CCC(Nc3nccs3)CC2)cs1 ZINC000189956802 165184745 /nfs/dbraw/zinc/18/47/45/165184745.db2.gz LVKHZQGJCDSZKP-UHFFFAOYSA-N 0 0 324.431 3.189 10 5 DGBERN CC(=O)[C@H](C)CCCCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000269404890 432169106 /nfs/dbraw/zinc/16/91/06/432169106.db2.gz VNQPNYWEUUWEFV-CYBMUJFWSA-N 0 0 320.389 3.039 10 5 DGBERN Cc1ccc([C@H](C)NCc2nc3cc([N+](=O)[O-])ccc3o2)o1 ZINC000182570797 432206594 /nfs/dbraw/zinc/20/65/94/432206594.db2.gz QCUJIOKWSVAERQ-JTQLQIEISA-N 0 0 301.302 3.488 10 5 DGBERN CC[C@H](C)C(=O)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000133136988 196314810 /nfs/dbraw/zinc/31/48/10/196314810.db2.gz BQNFNFUHSPEVPD-QMMMGPOBSA-N 0 0 316.151 3.351 10 5 DGBERN CC(C)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000134212473 196371157 /nfs/dbraw/zinc/37/11/57/196371157.db2.gz MTPSCZPDXUPYSI-QMMMGPOBSA-N 0 0 315.167 3.132 10 5 DGBERN C[C@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000156004325 227120191 /nfs/dbraw/zinc/12/01/91/227120191.db2.gz WBPVOYDBQWAHHD-NSHDSACASA-N 0 0 301.346 3.338 10 5 DGBERN O=[N+]([O-])c1cccc(CN(c2nnc(C3CC3)s2)C2CC2)c1 ZINC000301778941 229888589 /nfs/dbraw/zinc/88/85/89/229888589.db2.gz RXGRWGLGOHVWPE-UHFFFAOYSA-N 0 0 316.386 3.493 10 5 DGBERN C[C@H](CNc1cc(CO)ccc1[N+](=O)[O-])Oc1ccccc1F ZINC000302028743 230046581 /nfs/dbraw/zinc/04/65/81/230046581.db2.gz JCPOSVGQDQVWRC-LLVKDONJSA-N 0 0 320.320 3.106 10 5 DGBERN Cc1cc(Nc2ccc([N+](=O)[O-])c(C)c2)ccc1OCCO ZINC000302138025 230115749 /nfs/dbraw/zinc/11/57/49/230115749.db2.gz DPQHIRGNFGOUCU-UHFFFAOYSA-N 0 0 302.330 3.326 10 5 DGBERN Cc1cc(NCC2(CCO)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302456761 230253115 /nfs/dbraw/zinc/25/31/15/230253115.db2.gz QMNMPPVXNAMGOH-UHFFFAOYSA-N 0 0 301.346 3.026 10 5 DGBERN Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)COCc1ccccc1 ZINC000172780575 432235194 /nfs/dbraw/zinc/23/51/94/432235194.db2.gz IQKHCNWNYJWOPI-ZDUSSCGKSA-N 0 0 301.346 3.315 10 5 DGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1[C@H](C)CC(O)C[C@H]1C ZINC000191271062 432242402 /nfs/dbraw/zinc/24/24/02/432242402.db2.gz JVXGBSFHSYSRPU-CHWSQXEVSA-N 0 0 322.405 3.116 10 5 DGBERN O=[N+]([O-])c1ccc(OC[C@H](O)CC2CCCC2)c2ncccc12 ZINC000191360070 432255718 /nfs/dbraw/zinc/25/57/18/432255718.db2.gz VXVMEKTUXAZQGG-CYBMUJFWSA-N 0 0 316.357 3.463 10 5 DGBERN Cc1nc(C(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)c(C)s1 ZINC000191384557 432258194 /nfs/dbraw/zinc/25/81/94/432258194.db2.gz INDBEDULASQYNJ-UHFFFAOYSA-N 0 0 321.358 3.037 10 5 DGBERN Cc1cc(C(=O)N[C@H]2CCOc3ccccc32)cc([N+](=O)[O-])c1 ZINC000147358722 274681325 /nfs/dbraw/zinc/68/13/25/274681325.db2.gz AWTVLRNRMOKHED-HNNXBMFYSA-N 0 0 312.325 3.157 10 5 DGBERN O=[N+]([O-])c1ccc2nc(NC[C@H](CO)c3ccccc3)ccc2c1 ZINC000487662424 429164599 /nfs/dbraw/zinc/16/45/99/429164599.db2.gz FRXKCRGHKWGXMA-OAHLLOKOSA-N 0 0 323.352 3.331 10 5 DGBERN CCC[C@H]1CCCC[C@@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000535046982 430161854 /nfs/dbraw/zinc/16/18/54/430161854.db2.gz VXYAEZPXDZSOCF-RYUDHWBXSA-N 0 0 303.366 3.408 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(F)c1 ZINC000103377496 279013029 /nfs/dbraw/zinc/01/30/29/279013029.db2.gz QMGICRLNIPHYLY-SNVBAGLBSA-N 0 0 300.289 3.325 10 5 DGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000480554554 279098589 /nfs/dbraw/zinc/09/85/89/279098589.db2.gz NTZHQIDFBMYQQK-HTRCEHHLSA-N 0 0 309.675 3.420 10 5 DGBERN Cc1sc(C(=O)NC[C@H](C)Oc2ccccc2)cc1[N+](=O)[O-] ZINC000070910358 431264741 /nfs/dbraw/zinc/26/47/41/431264741.db2.gz NGTAQKQEVUONIH-JTQLQIEISA-N 0 0 320.370 3.162 10 5 DGBERN CN(C)c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006949065 431326356 /nfs/dbraw/zinc/32/63/56/431326356.db2.gz HWUUMXISICINMK-UHFFFAOYSA-N 0 0 300.318 3.305 10 5 DGBERN C[C@H]1CCC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000302698371 279681438 /nfs/dbraw/zinc/68/14/38/279681438.db2.gz WVCMDDJLHXXMKE-WDEREUQCSA-N 0 0 319.361 3.306 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1-c1nc(CCc2ccccc2)no1 ZINC000113745387 431359758 /nfs/dbraw/zinc/35/97/58/431359758.db2.gz OOWGGTGOJPZIQO-UHFFFAOYSA-N 0 0 310.313 3.133 10 5 DGBERN CC(C)c1csc(NC(=O)COc2ccc([N+](=O)[O-])cc2)n1 ZINC000010636379 431467773 /nfs/dbraw/zinc/46/77/73/431467773.db2.gz XENNDHNYSOFYHE-UHFFFAOYSA-N 0 0 321.358 3.192 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116044257 431481443 /nfs/dbraw/zinc/48/14/43/431481443.db2.gz WPAKLMGGBVUTGQ-CQSZACIVSA-N 0 0 300.314 3.474 10 5 DGBERN Cc1sc(C(=O)NCCc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000116208676 431493768 /nfs/dbraw/zinc/49/37/68/431493768.db2.gz HSTZZIIUHNGSBR-UHFFFAOYSA-N 0 0 304.371 3.246 10 5 DGBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000116273957 431498519 /nfs/dbraw/zinc/49/85/19/431498519.db2.gz SVDFKSAHPLKSDU-DZGCQCFKSA-N 0 0 310.781 3.392 10 5 DGBERN O=C(NCCc1ccsc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000013698270 431566183 /nfs/dbraw/zinc/56/61/83/431566183.db2.gz VYZUBCCQGRYZLI-UHFFFAOYSA-N 0 0 310.762 3.282 10 5 DGBERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000117578582 431570740 /nfs/dbraw/zinc/57/07/40/431570740.db2.gz YYODXTUOAJJTKD-RFAUZJTJSA-N 0 0 316.288 3.237 10 5 DGBERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000117578535 431568786 /nfs/dbraw/zinc/56/87/86/431568786.db2.gz HZXGNMQDZPZLQP-VFZGTOFNSA-N 0 0 316.288 3.237 10 5 DGBERN Cc1c(Br)c(N[C@H]2CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000336685519 280199235 /nfs/dbraw/zinc/19/92/35/280199235.db2.gz DIVTYCKDEGDIFX-XPUUQOCRSA-N 0 0 300.156 3.271 10 5 DGBERN C[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000027893037 431695814 /nfs/dbraw/zinc/69/58/14/431695814.db2.gz HRIYVSWGTJYXFV-IAQYHMDHSA-N 0 0 320.389 3.190 10 5 DGBERN COCCOc1cccc(NCc2csc([N+](=O)[O-])c2)c1 ZINC000037777680 431849788 /nfs/dbraw/zinc/84/97/88/431849788.db2.gz LPLPBTKXGZIFNM-UHFFFAOYSA-N 0 0 308.359 3.294 10 5 DGBERN O=[N+]([O-])c1cnccc1NCc1ccc(Br)s1 ZINC000038018873 431853236 /nfs/dbraw/zinc/85/32/36/431853236.db2.gz ADTQLPCJTXORRY-UHFFFAOYSA-N 0 0 314.164 3.426 10 5 DGBERN C[C@H](NCc1csc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000123476595 431866405 /nfs/dbraw/zinc/86/64/05/431866405.db2.gz ZQUFCFJDIFKUON-JTQLQIEISA-N 0 0 320.370 3.278 10 5 DGBERN C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000044653057 431875823 /nfs/dbraw/zinc/87/58/23/431875823.db2.gz DIQKQSDLNYZRDS-MRVPVSSYSA-N 0 0 316.342 3.024 10 5 DGBERN O=C(c1scnc1C1CC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000089812650 431880764 /nfs/dbraw/zinc/88/07/64/431880764.db2.gz GBFDNYBDIOIMIG-UHFFFAOYSA-N 0 0 315.354 3.132 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C1CC1)C1CCC(C)CC1 ZINC000045415671 431885560 /nfs/dbraw/zinc/88/55/60/431885560.db2.gz HYFSQZJYYCHRTM-UHFFFAOYSA-N 0 0 317.389 3.482 10 5 DGBERN Cc1cc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)c(C)s1 ZINC000046240344 431896023 /nfs/dbraw/zinc/89/60/23/431896023.db2.gz HEVARVFAJLDSHD-JTQLQIEISA-N 0 0 319.386 3.468 10 5 DGBERN CCOCCC1(CNc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000127719547 431978865 /nfs/dbraw/zinc/97/88/65/431978865.db2.gz SFTLEJYQUZIIMN-UHFFFAOYSA-N 0 0 312.341 3.361 10 5 DGBERN CCc1ccc([C@@H]2COCCN2Cc2csc([N+](=O)[O-])c2)o1 ZINC000126204312 431944409 /nfs/dbraw/zinc/94/44/09/431944409.db2.gz JUWLUZRNTBIWPX-ZDUSSCGKSA-N 0 0 322.386 3.385 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@@H]2O)c(Br)c1 ZINC000052006110 431953636 /nfs/dbraw/zinc/95/36/36/431953636.db2.gz OWVOTMZCSWFWGZ-NEPJUHHUSA-N 0 0 315.167 3.073 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000101524950 431984631 /nfs/dbraw/zinc/98/46/31/431984631.db2.gz MGDAVTDJXFJYDG-UHFFFAOYSA-N 0 0 324.296 3.206 10 5 DGBERN Cc1ccc2ncnc(N3CCc4ccc([N+](=O)[O-])cc4C3)c2c1 ZINC000301617261 281173782 /nfs/dbraw/zinc/17/37/82/281173782.db2.gz WEQRUYYDRUGQNQ-UHFFFAOYSA-N 0 0 320.352 3.409 10 5 DGBERN Cc1ccc(CC(=O)N(C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000057206483 431991178 /nfs/dbraw/zinc/99/11/78/431991178.db2.gz YCMXJXFLKZABEH-UHFFFAOYSA-N 0 0 304.371 3.166 10 5 DGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCCc2ccccc21 ZINC000151739228 432271660 /nfs/dbraw/zinc/27/16/60/432271660.db2.gz ZJNXTJXBYCNVHF-KRWDZBQOSA-N 0 0 310.353 3.331 10 5 DGBERN O=[N+]([O-])c1ccc(CN2CCO[C@H]3CCCC[C@H]32)c(Cl)c1 ZINC000248417719 432288496 /nfs/dbraw/zinc/28/84/96/432288496.db2.gz JTKKNBMABMCXDD-CABCVRRESA-N 0 0 310.781 3.392 10 5 DGBERN O=[N+]([O-])c1ccc(CN2CCO[C@@H]3CCCC[C@H]32)c(Cl)c1 ZINC000248417721 432288732 /nfs/dbraw/zinc/28/87/32/432288732.db2.gz JTKKNBMABMCXDD-HUUCEWRRSA-N 0 0 310.781 3.392 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(C)(C)C)cc2)n1 ZINC000191448561 432264647 /nfs/dbraw/zinc/26/46/47/432264647.db2.gz BGYCLVKPIOJXJJ-UHFFFAOYSA-N 0 0 316.361 3.361 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2C)n1 ZINC000191448601 432265178 /nfs/dbraw/zinc/26/51/78/432265178.db2.gz GOCCECBZUJYVDC-UHFFFAOYSA-N 0 0 308.725 3.025 10 5 DGBERN C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000152500214 432336052 /nfs/dbraw/zinc/33/60/52/432336052.db2.gz ZKNUXGMJUJQHEV-JTQLQIEISA-N 0 0 320.295 3.293 10 5 DGBERN Cc1cnc([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000184043452 432348527 /nfs/dbraw/zinc/34/85/27/432348527.db2.gz FCGUZKGZQSZZSK-SNVBAGLBSA-N 0 0 319.386 3.202 10 5 DGBERN CCN(CCc1nccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000152719046 432350550 /nfs/dbraw/zinc/35/05/50/432350550.db2.gz AQPNBRCFUCWNOC-UHFFFAOYSA-N 0 0 320.374 3.148 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000184282686 432374938 /nfs/dbraw/zinc/37/49/38/432374938.db2.gz GZCRSRAAFYXQLR-OGQTVDGUSA-N 0 0 300.358 3.113 10 5 DGBERN COC(=O)c1cnc(/C=C/c2ccc([N+](=O)[O-])cc2C)s1 ZINC000184337986 432381796 /nfs/dbraw/zinc/38/17/96/432381796.db2.gz KDVCQHPWDSAVPO-GQCTYLIASA-N 0 0 304.327 3.317 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2ncccc2c1 ZINC000192549082 432387040 /nfs/dbraw/zinc/38/70/40/432387040.db2.gz SSTFFFHUERZGSM-UHFFFAOYSA-N 0 0 308.297 3.099 10 5 DGBERN CCOc1ccc([C@H](C)NCc2cscn2)cc1[N+](=O)[O-] ZINC000153409037 432406275 /nfs/dbraw/zinc/40/62/75/432406275.db2.gz RFWOSFRFCDUGJL-JTQLQIEISA-N 0 0 307.375 3.301 10 5 DGBERN CCc1cnccc1C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000184565548 432406727 /nfs/dbraw/zinc/40/67/27/432406727.db2.gz AMRZEARGNTYDTC-MRXNPFEDSA-N 0 0 313.357 3.433 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H](C)c1nccs1 ZINC000184911113 432444338 /nfs/dbraw/zinc/44/43/38/432444338.db2.gz PMJSWIIIQROGND-LLVKDONJSA-N 0 0 319.386 3.235 10 5 DGBERN Cc1ccc(OC[C@@H](O)COc2cccc(C)c2[N+](=O)[O-])cc1 ZINC000153798024 432445500 /nfs/dbraw/zinc/44/55/00/432445500.db2.gz IFFMXHKRUFMWQO-CQSZACIVSA-N 0 0 317.341 3.030 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CC2(CCCC2)OC(C)(C)C1 ZINC000192864641 432423638 /nfs/dbraw/zinc/42/36/38/432423638.db2.gz DTBSTAFCGGTSMR-UHFFFAOYSA-N 0 0 322.409 3.048 10 5 DGBERN Cn1c(CSc2ccc([N+](=O)[O-])cc2F)nnc1C1CC1 ZINC000185150620 432471108 /nfs/dbraw/zinc/47/11/08/432471108.db2.gz IMODOHIBXGSFMM-UHFFFAOYSA-N 0 0 308.338 3.032 10 5 DGBERN CCC1(CC)CN(Cc2cccc([N+](=O)[O-])c2C)CC[S@]1=O ZINC000185253613 432484461 /nfs/dbraw/zinc/48/44/61/432484461.db2.gz BDEPXUMTTOVKHN-JOCHJYFZSA-N 0 0 324.446 3.026 10 5 DGBERN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000193642688 432487977 /nfs/dbraw/zinc/48/79/77/432487977.db2.gz QZQQEQSOAWTZBA-RYUDHWBXSA-N 0 0 317.345 3.174 10 5 DGBERN COC(=O)c1cc(NC(=O)[C@H](C)CC(C)C)cc([N+](=O)[O-])c1 ZINC000185384211 432496628 /nfs/dbraw/zinc/49/66/28/432496628.db2.gz VGGMEHRBTAKOKO-SNVBAGLBSA-N 0 0 308.334 3.002 10 5 DGBERN C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000176171228 432498714 /nfs/dbraw/zinc/49/87/14/432498714.db2.gz SDOJDTLETUCZFS-LLVKDONJSA-N 0 0 304.371 3.466 10 5 DGBERN O=[N+]([O-])c1ccc(N2C[C@@H](c3ccsc3)[C@H](CO)C2)c(F)c1 ZINC000186145129 432562297 /nfs/dbraw/zinc/56/22/97/432562297.db2.gz FOLDPYMAKUVYMO-AAEUAGOBSA-N 0 0 322.361 3.008 10 5 DGBERN O=C(NC1C2CC3CC(C2)CC1C3)c1ccc([N+](=O)[O-])s1 ZINC000194083161 432523133 /nfs/dbraw/zinc/52/31/33/432523133.db2.gz PCJLUZOUDYLZEV-UHFFFAOYSA-N 0 0 306.387 3.211 10 5 DGBERN Cc1sc(C(=O)NC[C@@H]2Cc3ccccc32)cc1[N+](=O)[O-] ZINC000194083508 432523336 /nfs/dbraw/zinc/52/33/36/432523336.db2.gz IMGIWLFJXPDLQG-NSHDSACASA-N 0 0 302.355 3.034 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1CNc1cccnc1-n1cccn1 ZINC000185882365 432541285 /nfs/dbraw/zinc/54/12/85/432541285.db2.gz YDXVPNSCYHIALB-UHFFFAOYSA-N 0 0 309.329 3.096 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)[C@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000155217416 432543886 /nfs/dbraw/zinc/54/38/86/432543886.db2.gz UPIWXNKOYMLDSB-OLZOCXBDSA-N 0 0 320.389 3.143 10 5 DGBERN Cc1cc(C(=O)Nc2ccnn2[C@H](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000194382899 432546694 /nfs/dbraw/zinc/54/66/94/432546694.db2.gz NATLDZSKBNYJFI-LLVKDONJSA-N 0 0 314.345 3.323 10 5 DGBERN COc1ccc(C(=O)Nc2ccc3cc[nH]c3c2)cc1[N+](=O)[O-] ZINC000194838817 432580001 /nfs/dbraw/zinc/58/00/01/432580001.db2.gz BGCRGIUWNNFSJN-UHFFFAOYSA-N 0 0 311.297 3.337 10 5 DGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3cc[nH]c3c2)c1 ZINC000194841087 432580763 /nfs/dbraw/zinc/58/07/63/432580763.db2.gz AGMHRUXZJYURNC-UHFFFAOYSA-N 0 0 311.297 3.337 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2ccc(F)cc21 ZINC000194843467 432581606 /nfs/dbraw/zinc/58/16/06/432581606.db2.gz AIYNJYBXMDPXNT-UHFFFAOYSA-N 0 0 300.289 3.245 10 5 DGBERN Cc1c(C(=O)NCCc2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000177115067 432588094 /nfs/dbraw/zinc/58/80/94/432588094.db2.gz FWIXDXXZYWBUBS-UHFFFAOYSA-N 0 0 320.295 3.154 10 5 DGBERN Cc1sc(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)cc1[N+](=O)[O-] ZINC000186373038 432588346 /nfs/dbraw/zinc/58/83/46/432588346.db2.gz OSWSGIMODUPZNE-QMMMGPOBSA-N 0 0 320.374 3.385 10 5 DGBERN Cc1ccc([C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000158694712 432656221 /nfs/dbraw/zinc/65/62/21/432656221.db2.gz UXGPTNRMJCFWOJ-INIZCTEOSA-N 0 0 302.330 3.070 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1CCCCC1 ZINC000217605307 432656763 /nfs/dbraw/zinc/65/67/63/432656763.db2.gz RNJOTWDZWRLVAD-UHFFFAOYSA-N 0 0 307.350 3.305 10 5 DGBERN CC[C@@H](NC(=O)c1ccc2nccn2c1)c1cccc([N+](=O)[O-])c1 ZINC000177813769 432665405 /nfs/dbraw/zinc/66/54/05/432665405.db2.gz DTVHJUALDSWTQW-OAHLLOKOSA-N 0 0 324.340 3.124 10 5 DGBERN C[C@@H]1CC[C@](CO)([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000187952820 432695744 /nfs/dbraw/zinc/69/57/44/432695744.db2.gz UORSZWWMUBSBOP-ABAIWWIYSA-N 0 0 312.797 3.231 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CCO[C@H](C3CC3)C2)c1 ZINC000160372897 432717006 /nfs/dbraw/zinc/71/70/06/432717006.db2.gz NIYKRFQZBZFANM-HZMBPMFUSA-N 0 0 310.325 3.112 10 5 DGBERN Cc1cc(N[C@@H](C)[C@H](C)CO)c(Br)cc1[N+](=O)[O-] ZINC000235472024 432744810 /nfs/dbraw/zinc/74/48/10/432744810.db2.gz QRGLPBJHXJBMEM-BDAKNGLRSA-N 0 0 317.183 3.095 10 5 DGBERN CCCC(=O)N[C@H]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245201309 432824644 /nfs/dbraw/zinc/82/46/44/432824644.db2.gz PWJVHMJNFXCKKB-HIFRSBDPSA-N 0 0 319.405 3.037 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000161536805 432784781 /nfs/dbraw/zinc/78/47/81/432784781.db2.gz RUVGWTHVVMTPER-LBPRGKRZSA-N 0 0 302.330 3.225 10 5 DGBERN CSC[C@H](C)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000161767679 432796436 /nfs/dbraw/zinc/79/64/36/432796436.db2.gz MPKJVAXHMCNGFQ-VIFPVBQESA-N 0 0 319.386 3.389 10 5 DGBERN COCCCCC(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000161779079 432797385 /nfs/dbraw/zinc/79/73/85/432797385.db2.gz VBSSVBWINXFZRY-UHFFFAOYSA-N 0 0 317.345 3.207 10 5 DGBERN CC[C@@H](C)OCC(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000161755395 432797433 /nfs/dbraw/zinc/79/74/33/432797433.db2.gz DEDKFJVCJPKTDC-LLVKDONJSA-N 0 0 317.345 3.205 10 5 DGBERN O=[N+]([O-])c1c(F)cccc1N1CCO[C@H](c2cccs2)C1 ZINC000268412875 432869221 /nfs/dbraw/zinc/86/92/21/432869221.db2.gz UFCKBIQUHXNHNF-LBPRGKRZSA-N 0 0 308.334 3.373 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C(F)(F)F ZINC000297622019 433000835 /nfs/dbraw/zinc/00/08/35/433000835.db2.gz AFTBXJKAIZTHFQ-CMDGGOBGSA-N 0 0 316.279 3.455 10 5 DGBERN COc1cc(C(=O)N2CCCC23CCC3)cc([N+](=O)[O-])c1C ZINC000373063980 433082720 /nfs/dbraw/zinc/08/27/20/433082720.db2.gz RNZRRYQSGGTKCB-UHFFFAOYSA-N 0 0 304.346 3.071 10 5 DGBERN C[C@@]12CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]1C2(F)F ZINC000291858554 433377451 /nfs/dbraw/zinc/37/74/51/433377451.db2.gz VPBBHOMJJBJOJT-WCQYABFASA-N 0 0 311.288 3.104 10 5 DGBERN NC(=O)c1cc([N+](=O)[O-])cnc1SCc1cccc(Cl)c1 ZINC000301133694 433430242 /nfs/dbraw/zinc/43/02/42/433430242.db2.gz YZOYNQBLHNEVEJ-UHFFFAOYSA-N 0 0 323.761 3.034 10 5 DGBERN C[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000027893030 289920969 /nfs/dbraw/zinc/92/09/69/289920969.db2.gz HRIYVSWGTJYXFV-NHYWBVRUSA-N 0 0 320.389 3.190 10 5 DGBERN C[C@H](Sc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccc(F)cc1 ZINC000301126595 433425156 /nfs/dbraw/zinc/42/51/56/433425156.db2.gz ZMUZOCMMIGDMPC-QMMMGPOBSA-N 0 0 321.333 3.081 10 5 DGBERN C[C@H]1CC(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000179592758 290327930 /nfs/dbraw/zinc/32/79/30/290327930.db2.gz CXFIYYWTRLPRQB-RYUDHWBXSA-N 0 0 318.373 3.078 10 5 DGBERN Cc1ccc(OCc2nnc(-c3ccccc3)n2C)c([N+](=O)[O-])c1 ZINC000161000130 292825911 /nfs/dbraw/zinc/82/59/11/292825911.db2.gz TXYIXVUOKOHUOV-UHFFFAOYSA-N 0 0 324.340 3.278 10 5 DGBERN Cc1cc(NCc2nc(-c3cccs3)n[nH]2)ccc1[N+](=O)[O-] ZINC000301537035 433598340 /nfs/dbraw/zinc/59/83/40/433598340.db2.gz AUPYNYCRVMQEBF-UHFFFAOYSA-N 0 0 315.358 3.362 10 5 DGBERN O=[N+]([O-])c1c(F)cccc1NCc1nc(-c2cccs2)n[nH]1 ZINC000301535181 433600680 /nfs/dbraw/zinc/60/06/80/433600680.db2.gz AIOMJXAMWBCISQ-UHFFFAOYSA-N 0 0 319.321 3.193 10 5 DGBERN C[C@@H]1C[C@@H](c2ccccc2)N(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000376236019 433697825 /nfs/dbraw/zinc/69/78/25/433697825.db2.gz ABADGWRYCQQGKF-OCCSQVGLSA-N 0 0 323.356 3.225 10 5 DGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C(C)C)C(F)(F)F ZINC000362526922 433736594 /nfs/dbraw/zinc/73/65/94/433736594.db2.gz WPMLONJNYNBECL-LLVKDONJSA-N 0 0 304.268 3.220 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ncncc2C)no1 ZINC000356933873 433774181 /nfs/dbraw/zinc/77/41/81/433774181.db2.gz MYEREXAQJVIFTJ-JXMROGBWSA-N 0 0 323.312 3.304 10 5 DGBERN Cc1cc([N+](=O)[O-])cnc1Nc1ccc(Cn2ccnc2)cc1 ZINC000301934139 433799531 /nfs/dbraw/zinc/79/95/31/433799531.db2.gz RKUJMYWMFRXYNN-UHFFFAOYSA-N 0 0 309.329 3.287 10 5 DGBERN O=[N+]([O-])c1ccc2c(c1NCCSC(F)(F)F)CCN2 ZINC000302820888 433869510 /nfs/dbraw/zinc/86/95/10/433869510.db2.gz DDXBRAFZTDGLDG-UHFFFAOYSA-N 0 0 307.297 3.228 10 5 DGBERN CCC[C@]1(COC)CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000302808189 433870443 /nfs/dbraw/zinc/87/04/43/433870443.db2.gz GHOWVEFDBJCWIP-CQSZACIVSA-N 0 0 324.406 3.090 10 5 DGBERN CCOc1ccc(C(=O)N[C@@H](C2CC2)C2CCC2)cc1[N+](=O)[O-] ZINC000457224910 434063258 /nfs/dbraw/zinc/06/32/58/434063258.db2.gz RPDLUQNZTXIBIT-MRXNPFEDSA-N 0 0 318.373 3.302 10 5 DGBERN CCOc1cccc(NCc2ccc3cc[nH]c3n2)c1[N+](=O)[O-] ZINC000357585021 434088063 /nfs/dbraw/zinc/08/80/63/434088063.db2.gz UVWZTDGCJXGUBG-UHFFFAOYSA-N 0 0 312.329 3.482 10 5 DGBERN C[C@@H](c1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1)C1CC1 ZINC000357594663 434091719 /nfs/dbraw/zinc/09/17/19/434091719.db2.gz LOBRHXBUYRRXLC-SNVBAGLBSA-N 0 0 312.329 3.494 10 5 DGBERN C[C@H](O)[C@](C)(CNc1ccc([N+](=O)[O-])nc1)Cc1ccccc1 ZINC000357670276 434120949 /nfs/dbraw/zinc/12/09/49/434120949.db2.gz FDQNSFHZAAEACV-GUYCJALGSA-N 0 0 315.373 3.032 10 5 DGBERN C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000248662600 297077600 /nfs/dbraw/zinc/07/76/00/297077600.db2.gz YMVJYZKWYBXEIG-BMIGLBTASA-N 0 0 319.386 3.205 10 5 DGBERN COCCCCN(Cc1ccccc1)c1ccc([N+](=O)[O-])nc1 ZINC000450393711 434149278 /nfs/dbraw/zinc/14/92/78/434149278.db2.gz PHNKMRJKYRDKEU-UHFFFAOYSA-N 0 0 315.373 3.423 10 5 DGBERN COC(=O)[C@H](C)Cc1ccc(Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC000450442870 434183441 /nfs/dbraw/zinc/18/34/41/434183441.db2.gz ZFFSMLVDOBGKDR-LLVKDONJSA-N 0 0 315.329 3.085 10 5 DGBERN CCN(Cc1c[nH]c2ccccc12)c1ncc([N+](=O)[O-])c(C)n1 ZINC000450467280 434205368 /nfs/dbraw/zinc/20/53/68/434205368.db2.gz IKXZXASEDATKNI-UHFFFAOYSA-N 0 0 311.345 3.201 10 5 DGBERN CO[C@@H]1CC[C@@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000450470522 434209614 /nfs/dbraw/zinc/20/96/14/434209614.db2.gz ANRMXJFCBNEVNI-DGCLKSJQSA-N 0 0 319.386 3.698 10 5 DGBERN C[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@H]1O ZINC000408108607 434542355 /nfs/dbraw/zinc/54/23/55/434542355.db2.gz SLLACYBTRZDUJQ-WRWORJQWSA-N 0 0 305.161 3.109 10 5 DGBERN CC[C@H]1CC[C@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000408418435 434573818 /nfs/dbraw/zinc/57/38/18/434573818.db2.gz YAVKSCJZKKTNRC-JOCQHMNTSA-N 0 0 317.389 3.091 10 5 DGBERN O=C(c1cc(F)c[nH]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452843416 434735817 /nfs/dbraw/zinc/73/58/17/434735817.db2.gz IIHDZKUHSNRUNN-LBPRGKRZSA-N 0 0 317.320 3.082 10 5 DGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](COC)c1ccc(F)cc1 ZINC000361001907 434762015 /nfs/dbraw/zinc/76/20/15/434762015.db2.gz KBFXNUVRYRRCLQ-CYBMUJFWSA-N 0 0 322.340 3.058 10 5 DGBERN CCc1nc(C(C)(C)NCc2ccc(Cl)cc2[N+](=O)[O-])no1 ZINC000441252039 434762818 /nfs/dbraw/zinc/76/28/18/434762818.db2.gz IWMQTDZGIQOVAM-UHFFFAOYSA-N 0 0 324.768 3.219 10 5 DGBERN CCOc1ccc(C(=O)NC2(CC)CCCC2)cc1[N+](=O)[O-] ZINC000452954127 434765523 /nfs/dbraw/zinc/76/55/23/434765523.db2.gz GNKBTNTYQUMNRE-UHFFFAOYSA-N 0 0 306.362 3.446 10 5 DGBERN CCOc1c(OC(F)F)ccc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575658701 435039398 /nfs/dbraw/zinc/03/93/98/435039398.db2.gz UYYVPNXHEPNOTQ-UHFFFAOYSA-N 0 0 317.166 3.494 10 5 DGBERN CCOc1cc(OC(F)F)cc([N+](=O)[O-])c1OC(F)(F)F ZINC000575657492 435039913 /nfs/dbraw/zinc/03/99/13/435039913.db2.gz NMHYJBQDFROAHP-UHFFFAOYSA-N 0 0 317.166 3.494 10 5 DGBERN CCOc1cc(OC(F)(F)F)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575658062 435040052 /nfs/dbraw/zinc/04/00/52/435040052.db2.gz QHIAJAXZFUGMHU-UHFFFAOYSA-N 0 0 317.166 3.494 10 5 DGBERN CC(=O)c1c(OC(F)F)c(Br)ccc1[N+](=O)[O-] ZINC000575683479 435044346 /nfs/dbraw/zinc/04/43/46/435044346.db2.gz QEFZMAMOZKNSEY-UHFFFAOYSA-N 0 0 310.050 3.161 10 5 DGBERN CCOc1cc(I)c(CC)c([N+](=O)[O-])c1 ZINC000575694409 435045233 /nfs/dbraw/zinc/04/52/33/435045233.db2.gz DXSOYHJGHHCYOE-UHFFFAOYSA-N 0 0 321.114 3.161 10 5 DGBERN CCOc1cc(CC)cc([N+](=O)[O-])c1I ZINC000575696263 435046134 /nfs/dbraw/zinc/04/61/34/435046134.db2.gz MKEVEXAXFGLBEO-UHFFFAOYSA-N 0 0 321.114 3.161 10 5 DGBERN COC(=O)c1cc(C)nc(N(C)CC2CCCCC2)c1[N+](=O)[O-] ZINC000561100896 435199677 /nfs/dbraw/zinc/19/96/77/435199677.db2.gz KCGOSDPEPAAADG-UHFFFAOYSA-N 0 0 321.377 3.101 10 5 DGBERN Cc1scc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1C ZINC000536911850 435418490 /nfs/dbraw/zinc/41/84/90/435418490.db2.gz WAPBZUZMEIVGBH-UHFFFAOYSA-N 0 0 320.370 3.082 10 5 DGBERN C[C@H]1[C@H](C(F)(F)F)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000480554555 435384534 /nfs/dbraw/zinc/38/45/34/435384534.db2.gz NTZHQIDFBMYQQK-POYBYMJQSA-N 0 0 309.675 3.420 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(Cc2cccc(O)c2)n1 ZINC000548598080 435703357 /nfs/dbraw/zinc/70/33/57/435703357.db2.gz PWQXWZWWNNZUJK-UHFFFAOYSA-N 0 0 311.297 3.250 10 5 DGBERN Cn1cnc([N+](=O)[O-])c1N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000267292279 303020265 /nfs/dbraw/zinc/02/02/65/303020265.db2.gz RQHMYRIJDAKVPL-CYBMUJFWSA-N 0 0 304.325 3.199 10 5 DGBERN CC[C@H](NC(=O)[C@@H]1CCC(=O)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000132898978 312653957 /nfs/dbraw/zinc/65/39/57/312653957.db2.gz XRXLAOPYLINELK-XZJROXQQSA-N 0 0 318.373 3.167 10 5 DGBERN COc1ccc([N+](=O)[O-])c(N2CC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000530482268 313374650 /nfs/dbraw/zinc/37/46/50/313374650.db2.gz KPLOERZQTVLQSC-PSASIEDQSA-N 0 0 304.268 3.381 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCCN(c3ccccc3F)C2)cn1 ZINC000556596893 314764025 /nfs/dbraw/zinc/76/40/25/314764025.db2.gz UMGUAXAZYHKASL-CYBMUJFWSA-N 0 0 316.336 3.210 10 5 DGBERN O=[N+]([O-])c1cccc(F)c1N1CCC(C2CCOCC2)CC1 ZINC000561279733 314962673 /nfs/dbraw/zinc/96/26/73/314962673.db2.gz RDDKWYPWYIQMIH-UHFFFAOYSA-N 0 0 308.353 3.377 10 5 DGBERN O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1C2CCC1CC2 ZINC000566646195 315364371 /nfs/dbraw/zinc/36/43/71/315364371.db2.gz FBDRLZSAEILFTL-UHFFFAOYSA-N 0 0 314.263 3.381 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCc3cccc(F)c3C2)n1 ZINC000574476520 315970784 /nfs/dbraw/zinc/97/07/84/315970784.db2.gz KSADXUAZZLPBJG-UHFFFAOYSA-N 0 0 301.321 3.308 10 5 DGBERN CCc1ccnc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000180152045 323222433 /nfs/dbraw/zinc/22/24/33/323222433.db2.gz UHJFYRIJENPTCX-LLVKDONJSA-N 0 0 311.341 3.144 10 5 DGBERN Cc1cc([N+](=O)[O-])cn(CCCc2ccccc2Cl)c1=O ZINC000182097308 323283303 /nfs/dbraw/zinc/28/33/03/323283303.db2.gz MSYIGYYDAXOMSJ-UHFFFAOYSA-N 0 0 306.749 3.351 10 5 DGBERN COCCC(C)(C)CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000184050418 323353986 /nfs/dbraw/zinc/35/39/86/323353986.db2.gz FVVGNUVOGPTAFP-UHFFFAOYSA-N 0 0 324.377 3.164 10 5 DGBERN CCc1cnccc1C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000185145710 323382406 /nfs/dbraw/zinc/38/24/06/323382406.db2.gz NDJDQIIUHYSPCW-UHFFFAOYSA-N 0 0 311.341 3.145 10 5 DGBERN O=[N+]([O-])c1ccc(-c2ccco2)c(I)c1 ZINC000584621296 337374816 /nfs/dbraw/zinc/37/48/16/337374816.db2.gz MMSLMCAFSBGODJ-UHFFFAOYSA-N 0 0 315.066 3.459 10 5 DGBERN O=[N+]([O-])c1ccc2nc(N3CSCCSC3)sc2c1 ZINC000584621553 337374975 /nfs/dbraw/zinc/37/49/75/337374975.db2.gz BDLHFJPNIYCLKX-UHFFFAOYSA-N 0 0 313.429 3.406 10 5 DGBERN [O-][n+]1cccc2c3ccccc3cc(I)c21 ZINC000584638672 337379630 /nfs/dbraw/zinc/37/96/30/337379630.db2.gz KRTQEHCDKIMXRJ-UHFFFAOYSA-N 0 0 321.117 3.231 10 5 DGBERN CC[C@H](NC(=O)c1cc2ccccc2c2cccnc12)C(=O)OC ZINC000084372484 338001789 /nfs/dbraw/zinc/00/17/89/338001789.db2.gz LMXBPWJFXILNSF-INIZCTEOSA-N 0 0 322.364 3.069 10 5 DGBERN COC(=O)c1ccc(F)c(CNc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000302152768 534169014 /nfs/dbraw/zinc/16/90/14/534169014.db2.gz ICVCTTQEYASKJK-UHFFFAOYSA-N 0 0 318.304 3.441 10 5 DGBERN C[C@@H]1CC[C@H](C)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000175158976 534217389 /nfs/dbraw/zinc/21/73/89/534217389.db2.gz QHWOJBJFOYJTEX-NWDGAFQWSA-N 0 0 308.403 3.334 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCCc2ccccc2)c1 ZINC000302123960 534245258 /nfs/dbraw/zinc/24/52/58/534245258.db2.gz YZUVKDLCBSFTAU-UHFFFAOYSA-N 0 0 300.314 3.036 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccccc2F)c1 ZINC000302075429 534245849 /nfs/dbraw/zinc/24/58/49/534245849.db2.gz GWXKJOXKELXEBM-UHFFFAOYSA-N 0 0 304.277 3.133 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2cccc([N+](=O)[O-])c2)c1 ZINC000302115113 534247304 /nfs/dbraw/zinc/24/73/04/534247304.db2.gz VVDJHEHTWWYOQO-UHFFFAOYSA-N 0 0 318.241 3.082 10 5 DGBERN CNc1c(C(=O)N[C@H](C)c2cccs2)cccc1[N+](=O)[O-] ZINC000161434547 522539450 /nfs/dbraw/zinc/53/94/50/522539450.db2.gz BEKPNLPXVLNOIK-SECBINFHSA-N 0 0 305.359 3.189 10 5 DGBERN Cc1ccnc(NCc2ccn(C3CCCC3)n2)c1[N+](=O)[O-] ZINC000154735769 525695217 /nfs/dbraw/zinc/69/52/17/525695217.db2.gz QYELQVLEPMDJOS-UHFFFAOYSA-N 0 0 301.350 3.222 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@@H](CO)c2ccco2)cc1C(F)(F)F ZINC000301472851 534882152 /nfs/dbraw/zinc/88/21/52/534882152.db2.gz LFCNDMBSAAVSKO-JTQLQIEISA-N 0 0 316.235 3.352 10 5 DGBERN CC(C)(C)[C@@H]1OCCC[C@H]1CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302057738 526684711 /nfs/dbraw/zinc/68/47/11/526684711.db2.gz RAINEDIBHLXYJY-XJKSGUPXSA-N 0 0 322.405 3.340 10 5 DGBERN O=[N+]([O-])c1cnc(NCCC[C@@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC000154461497 527409698 /nfs/dbraw/zinc/40/96/98/527409698.db2.gz BRHFXUAOALMFOB-GWCFXTLKSA-N 0 0 313.785 3.386 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC1CC(F)(F)C1 ZINC000298240801 527526653 /nfs/dbraw/zinc/52/66/53/527526653.db2.gz JARHVQLHRKCFDB-UXBLZVDNSA-N 0 0 310.300 3.160 10 5 DGBERN CCO[C@@H]1C[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])C12CCCC2 ZINC000302067848 527847419 /nfs/dbraw/zinc/84/74/19/527847419.db2.gz USLQQZNJDUFJAC-HZPDHXFCSA-N 0 0 320.389 3.237 10 5 DGBERN CCN(Cc1ccccn1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000176146776 528846797 /nfs/dbraw/zinc/84/67/97/528846797.db2.gz RWMXCPZYFSZPLG-UHFFFAOYSA-N 0 0 324.340 3.133 10 5 DGBERN CCS(=O)(CC)=Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000536958335 563469722 /nfs/dbraw/zinc/46/97/22/563469722.db2.gz YWUKNCJFVCOGHK-UHFFFAOYSA-N 0 0 321.196 3.497 10 5 DGBERN O=C(NC(C1CCCC1)C1CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000735474244 574703278 /nfs/dbraw/zinc/70/32/78/574703278.db2.gz HUFJJJOFWGGNEW-UHFFFAOYSA-N 0 0 305.378 3.402 10 5 DGBERN O=C(Cc1c(F)cccc1F)OCCc1ccccc1[N+](=O)[O-] ZINC000151200554 620429333 /nfs/dbraw/zinc/42/93/33/620429333.db2.gz SNQJXTFLRCPWSM-UHFFFAOYSA-N 0 0 321.279 3.201 10 5 DGBERN CCCn1nccc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000153980212 620628264 /nfs/dbraw/zinc/62/82/64/620628264.db2.gz CFASPSJRPCECFD-UHFFFAOYSA-N 0 0 308.725 3.107 10 5 DGBERN O=C(/C=C/c1ccnc(Cl)c1)OCc1ccc([N+](=O)[O-])cc1 ZINC000123179599 622478907 /nfs/dbraw/zinc/47/89/07/622478907.db2.gz JONMBTCEZCWGJY-ZZXKWVIFSA-N 0 0 318.716 3.400 10 5 DGBERN CCCC[C@H](C)OC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000126524477 623891770 /nfs/dbraw/zinc/89/17/70/623891770.db2.gz DAFONYNIXVMTDY-NSHDSACASA-N 0 0 311.334 3.104 10 5 DGBERN O=C(NCC[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000706506203 660861898 /nfs/dbraw/zinc/86/18/98/660861898.db2.gz CMJMFJXXQCWROA-QMMMGPOBSA-N 0 0 304.680 3.023 10 5 DGBERN CCOc1cccnc1C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000177586290 655601671 /nfs/dbraw/zinc/60/16/71/655601671.db2.gz AQNWWKFSHQGWOY-NSHDSACASA-N 0 0 316.313 3.307 10 5 DGBERN Cc1ccc(CN(C)C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])o1 ZINC000176680342 655781257 /nfs/dbraw/zinc/78/12/57/655781257.db2.gz HZGYVLMOFPYRCE-UHFFFAOYSA-N 0 0 306.293 3.216 10 5 DGBERN CN(Cc1ccc(F)cc1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000077509663 655848128 /nfs/dbraw/zinc/84/81/28/655848128.db2.gz AUIRNUUIQULKAE-UHFFFAOYSA-N 0 0 306.268 3.145 10 5 DGBERN COCC1CC(Nc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000713928777 661195170 /nfs/dbraw/zinc/19/51/70/661195170.db2.gz QECYFWHWNDQZIX-UHFFFAOYSA-N 0 0 315.167 3.194 10 5 DGBERN Cc1ncccc1/C=C1/C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc21 ZINC000255607990 655864810 /nfs/dbraw/zinc/86/48/10/655864810.db2.gz WTBNLMZDLHCRMW-VZUCSPMQSA-N 0 0 315.716 3.444 10 5 DGBERN COC[C@H]1C[C@@H](Nc2cccc(Br)c2[N+](=O)[O-])C1 ZINC000714270819 661198368 /nfs/dbraw/zinc/19/83/68/661198368.db2.gz RTEVZRSMOVYZKJ-DTORHVGOSA-N 0 0 315.167 3.194 10 5 DGBERN Cc1nc(C)c(C(=O)O[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000176945244 655880700 /nfs/dbraw/zinc/88/07/00/655880700.db2.gz HTQUUSQHGLKGGV-SNVBAGLBSA-N 0 0 304.302 3.426 10 5 DGBERN O=C(CCc1cccs1)OCCc1ccccc1[N+](=O)[O-] ZINC000178307214 656042676 /nfs/dbraw/zinc/04/26/76/656042676.db2.gz MSBGDUYUCNJCGS-UHFFFAOYSA-N 0 0 305.355 3.375 10 5 DGBERN O=C(NCC[C@@H]1CCCS1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000715972732 661217372 /nfs/dbraw/zinc/21/73/72/661217372.db2.gz JQEIOSRSMUBSNT-JTQLQIEISA-N 0 0 314.794 3.264 10 5 DGBERN C[C@@H](OC(=O)c1cccc2c[nH]nc21)c1ccc([N+](=O)[O-])cc1 ZINC000066878648 656300457 /nfs/dbraw/zinc/30/04/57/656300457.db2.gz QOCVGWNCXFFTEH-SNVBAGLBSA-N 0 0 311.297 3.389 10 5 DGBERN O=C(Oc1cccc([N+](=O)[O-])c1)c1coc(Br)c1 ZINC000074358762 661285466 /nfs/dbraw/zinc/28/54/66/661285466.db2.gz YAAKRQAQGOHHBS-UHFFFAOYSA-N 0 0 312.075 3.170 10 5 DGBERN Cc1sc(C(=O)Nc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000074357856 661285555 /nfs/dbraw/zinc/28/55/55/661285555.db2.gz NLVNLCMXMWFNIX-UHFFFAOYSA-N 0 0 305.359 3.283 10 5 DGBERN C[C@H](CCNc1ccc([N+](=O)[O-])cc1C(F)F)[S@](C)=O ZINC000229825627 657429611 /nfs/dbraw/zinc/42/96/11/657429611.db2.gz YFHGRRWBCNNEFR-SQFXPLBJSA-N 0 0 306.334 3.101 10 5 DGBERN CC(C)(C)SCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000079631483 657962800 /nfs/dbraw/zinc/96/28/00/657962800.db2.gz GPIVHMBJWFJWCO-UHFFFAOYSA-N 0 0 310.419 3.478 10 5 DGBERN C[C@@H](OC(=O)CSc1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000098161116 657972731 /nfs/dbraw/zinc/97/27/31/657972731.db2.gz SDUIEOKMTOBAOE-LLVKDONJSA-N 0 0 318.354 3.386 10 5 DGBERN C[C@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCC1 ZINC000179148516 658337796 /nfs/dbraw/zinc/33/77/96/658337796.db2.gz GBHFJLIWNYZXRK-JTQLQIEISA-N 0 0 302.330 3.350 10 5 DGBERN O=C(NCCc1ccsc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168620255 659146589 /nfs/dbraw/zinc/14/65/89/659146589.db2.gz POFJXSKVWDZNSS-UHFFFAOYSA-N 0 0 310.762 3.282 10 5 DGBERN CC(C)(C)OC(=O)NCCCNc1c(F)cccc1[N+](=O)[O-] ZINC000227411301 659155031 /nfs/dbraw/zinc/15/50/31/659155031.db2.gz XADJGCXOOPOOQT-UHFFFAOYSA-N 0 0 313.329 3.061 10 5 DGBERN O=C1CCN(Cc2cc(F)ccc2[N+](=O)[O-])c2ccccc2N1 ZINC000172352035 659331704 /nfs/dbraw/zinc/33/17/04/659331704.db2.gz BCRBEBCXAAMEBC-UHFFFAOYSA-N 0 0 315.304 3.083 10 5 DGBERN NC(=O)c1ccc(Cl)cc1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000172872468 659360522 /nfs/dbraw/zinc/36/05/22/659360522.db2.gz UMJXNUIBXUQTPZ-UHFFFAOYSA-N 0 0 323.711 3.098 10 5 DGBERN CCc1ccc(OC(=O)CC[C@H]2CC[C@H](C)O2)c([N+](=O)[O-])c1 ZINC000174337485 659427721 /nfs/dbraw/zinc/42/77/21/659427721.db2.gz YQUMQQQHWSRNQU-WCQYABFASA-N 0 0 307.346 3.410 10 5 DGBERN Cc1ccc(CC(=O)OCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000064194496 659628599 /nfs/dbraw/zinc/62/85/99/659628599.db2.gz YYUBZSUTOVLHMP-UHFFFAOYSA-N 0 0 305.355 3.293 10 5 DGBERN C[C@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000175297737 659918659 /nfs/dbraw/zinc/91/86/59/659918659.db2.gz GHWHRKRPJQTYKF-AAEUAGOBSA-N 0 0 321.373 3.474 10 5 DGBERN CCc1ccccc1OC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000069835211 660025019 /nfs/dbraw/zinc/02/50/19/660025019.db2.gz CGXSCUYDODHJFW-UHFFFAOYSA-N 0 0 301.298 3.142 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1OCc1cc(F)ccc1[N+](=O)[O-] ZINC000047353869 661875657 /nfs/dbraw/zinc/87/56/57/661875657.db2.gz OJWDZZWDWJYAHD-UHFFFAOYSA-N 0 0 322.248 3.230 10 5 DGBERN NC(=O)c1cc(Cl)ccc1OCc1cc(F)ccc1[N+](=O)[O-] ZINC000047353931 661875721 /nfs/dbraw/zinc/87/57/21/661875721.db2.gz XTPNRZGHTSWRMX-UHFFFAOYSA-N 0 0 324.695 3.065 10 5 DGBERN CC(C)c1nnc(COc2cc(Cl)ccc2[N+](=O)[O-])n1C ZINC000194698890 662171712 /nfs/dbraw/zinc/17/17/12/662171712.db2.gz RXGJVHQOYUXBMP-UHFFFAOYSA-N 0 0 310.741 3.079 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1nccn1C(F)F ZINC000085271989 662207108 /nfs/dbraw/zinc/20/71/08/662207108.db2.gz KKVQKQPXXLFAKC-VIFPVBQESA-N 0 0 308.288 3.138 10 5 DGBERN O=C(NCC=C(Cl)Cl)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000407145163 1176932535 /nfs/dbraw/zinc/93/25/35/1176932535.db2.gz XYNGQAGZUMTZLT-UHFFFAOYSA-N 0 0 309.536 3.297 10 5 DGBERN CC(C)c1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000228364781 1177595417 /nfs/dbraw/zinc/59/54/17/1177595417.db2.gz SXVNJLUXTKUSRW-UHFFFAOYSA-N 0 0 308.725 3.347 10 5 DGBERN Nc1c(Cl)cc(C(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000050699016 1194611282 /nfs/dbraw/zinc/61/12/82/1194611282.db2.gz OMRQMPILDJHLSV-UHFFFAOYSA-N 0 0 309.684 3.222 10 5 DGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(O)cc1Cl ZINC000070333995 1195862458 /nfs/dbraw/zinc/86/24/58/1195862458.db2.gz CHGJNYHJNHCURS-UHFFFAOYSA-N 0 0 306.705 3.135 10 5 DGBERN COc1cc(NC[C@@]2(C)CCCS2)c([N+](=O)[O-])cc1OC ZINC000213857376 1201190628 /nfs/dbraw/zinc/19/06/28/1201190628.db2.gz WROCEHCUAPOERX-CQSZACIVSA-N 0 0 312.391 3.310 10 5 DGBERN Cn1cc([N+](=O)[O-])c(Oc2ccc(F)c(Br)c2)n1 ZINC000231666304 1202599815 /nfs/dbraw/zinc/59/98/15/1202599815.db2.gz NVBAZPZNOSIEPD-UHFFFAOYSA-N 0 0 316.086 3.022 10 5 DGBERN C[C@H](Cc1ccco1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000160391554 1202623464 /nfs/dbraw/zinc/62/34/64/1202623464.db2.gz DLRHUTFAPGKRLA-SECBINFHSA-N 0 0 308.721 3.202 10 5 DGBERN C[C@H](Cc1ccsc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000175110515 1203917637 /nfs/dbraw/zinc/91/76/37/1203917637.db2.gz SXBAYSBJLXAIOT-LLVKDONJSA-N 0 0 304.371 3.360 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1nccs1 ZINC000588436695 1082270204 /nfs/dbraw/zinc/27/02/04/1082270204.db2.gz VBNFDZBOAXIYOF-KTKRTIGZSA-N 0 0 303.343 3.118 10 5 DGBERN CSC(C)(C)CNC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588439254 1082284409 /nfs/dbraw/zinc/28/44/09/1082284409.db2.gz UJYIMBFFUIMSKX-LUAWRHEFSA-N 0 0 308.403 3.256 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000588525999 1082550572 /nfs/dbraw/zinc/55/05/72/1082550572.db2.gz SWQXFBZLGJJJAM-KUGGDMIFSA-N 0 0 318.373 3.072 10 5 DGBERN CCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)n1 ZINC000228084085 1092217750 /nfs/dbraw/zinc/21/77/50/1092217750.db2.gz IKXTXDIPDDPSMY-UHFFFAOYSA-N 0 0 305.721 3.458 10 5 DGBERN CC[C@H](OC(=O)Cn1ccc([N+](=O)[O-])n1)c1cccc(Cl)c1 ZINC000176618993 1093636682 /nfs/dbraw/zinc/63/66/82/1093636682.db2.gz FOXFOPWPYUOCFO-LBPRGKRZSA-N 0 0 323.736 3.139 10 5 DGBERN O=[N+]([O-])c1nn(C[C@@H]2CCCC(F)(F)C2)cc1Br ZINC000306054420 231081336 /nfs/dbraw/zinc/08/13/36/231081336.db2.gz XBZTVZOXRMUDBR-SSDOTTSWSA-N 0 0 324.125 3.379 10 5 DGBERN O=[N+]([O-])c1cc(CN2CCO[C@H](Cc3ccccc3)C2)cs1 ZINC000181525418 199310412 /nfs/dbraw/zinc/31/04/12/199310412.db2.gz MQWCOXUAWWZQES-OAHLLOKOSA-N 0 0 318.398 3.100 10 5 DGBERN CC[C@H](NCc1nc(C2CC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000181541557 199315150 /nfs/dbraw/zinc/31/51/50/199315150.db2.gz NDUSUFBRECVVGV-ZDUSSCGKSA-N 0 0 302.334 3.096 10 5 DGBERN CC[C@H](NCc1nc(CC(C)C)no1)c1cccc([N+](=O)[O-])c1 ZINC000181549953 199315421 /nfs/dbraw/zinc/31/54/21/199315421.db2.gz SXMJROVORMWTDH-AWEZNQCLSA-N 0 0 318.377 3.417 10 5 DGBERN CC(C)Cn1ccnc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139234294 186020984 /nfs/dbraw/zinc/02/09/84/186020984.db2.gz XPGUJCFBCAQQBD-UHFFFAOYSA-N 0 0 322.752 3.353 10 5 DGBERN O=[N+]([O-])c1cccc(OCc2nc(-c3cccc(F)c3)n[nH]2)c1 ZINC000072236783 191080555 /nfs/dbraw/zinc/08/05/55/191080555.db2.gz HZMVTDZVSBLRDL-UHFFFAOYSA-N 0 0 314.276 3.098 10 5 DGBERN Cc1cc(CC(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000084808727 192468898 /nfs/dbraw/zinc/46/88/98/192468898.db2.gz MGUIRHLVSMRPJL-NSHDSACASA-N 0 0 304.302 3.047 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1c1cccn1C ZINC000172252625 198065721 /nfs/dbraw/zinc/06/57/21/198065721.db2.gz YIDHGFAOZCVDQU-MRXNPFEDSA-N 0 0 313.357 3.219 10 5 DGBERN Cc1ccc(OCc2nnc(-c3ccccc3)n2C)cc1[N+](=O)[O-] ZINC000131647625 432042414 /nfs/dbraw/zinc/04/24/14/432042414.db2.gz IKDCWCLHTWCVGZ-UHFFFAOYSA-N 0 0 324.340 3.278 10 5 DGBERN CCc1cnc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000081080936 192224188 /nfs/dbraw/zinc/22/41/88/192224188.db2.gz IRSCNCOKNYEOCI-UHFFFAOYSA-N 0 0 319.386 3.194 10 5 DGBERN CCc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000005717125 181276288 /nfs/dbraw/zinc/27/62/88/181276288.db2.gz WRQPAHKJAPTIOO-UHFFFAOYSA-N 0 0 314.341 3.483 10 5 DGBERN CC(C)[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000179767311 432070350 /nfs/dbraw/zinc/07/03/50/432070350.db2.gz SDZJXEIPMCAXMI-NSHDSACASA-N 0 0 301.346 3.165 10 5 DGBERN CC(C)C[C@H](C)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000185068869 199805462 /nfs/dbraw/zinc/80/54/62/199805462.db2.gz NSFFHNRCKCISNM-NSHDSACASA-N 0 0 322.361 3.377 10 5 DGBERN CC[C@@H]1CN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000186288722 199938657 /nfs/dbraw/zinc/93/86/57/199938657.db2.gz BTGGALQIJHLNDU-UMBJVVCDSA-N 0 0 318.373 3.024 10 5 DGBERN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCC2(C)C)cc1OC ZINC000187288373 200088858 /nfs/dbraw/zinc/08/88/58/200088858.db2.gz LSSYFJRKSNMXJB-UHFFFAOYSA-N 0 0 322.361 3.017 10 5 DGBERN CC[C@H](N[C@H](C)c1nccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000188114464 200195640 /nfs/dbraw/zinc/19/56/40/200195640.db2.gz MDMJQSFWVTYBJY-DOMZBBRYSA-N 0 0 300.362 3.495 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCCc1ccccn1 ZINC000188821795 200308103 /nfs/dbraw/zinc/30/81/03/200308103.db2.gz IUDQSGNIVWQNRW-UHFFFAOYSA-N 0 0 314.345 3.053 10 5 DGBERN COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1ccc(C)cc1 ZINC000006211637 181319471 /nfs/dbraw/zinc/31/94/71/181319471.db2.gz SJBUONYTVONQKH-MDZDMXLPSA-N 0 0 313.309 3.470 10 5 DGBERN C[C@@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCS1 ZINC000191939343 200783317 /nfs/dbraw/zinc/78/33/17/200783317.db2.gz KFKMYYCHEPNPIY-SNVBAGLBSA-N 0 0 319.386 3.044 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000060635492 283657891 /nfs/dbraw/zinc/65/78/91/283657891.db2.gz BPOSEFZNMJOTJS-SNVBAGLBSA-N 0 0 302.252 3.009 10 5 DGBERN COCCSCCCOc1ccc([N+](=O)[O-])c2ncccc12 ZINC000447327719 239624824 /nfs/dbraw/zinc/62/48/24/239624824.db2.gz WAVPBYZEZFHEDS-UHFFFAOYSA-N 0 0 322.386 3.292 10 5 DGBERN COC(=O)c1cc(N[C@@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000247812712 202692106 /nfs/dbraw/zinc/69/21/06/202692106.db2.gz DKVOHCWVEWJUPK-OAHLLOKOSA-N 0 0 312.325 3.481 10 5 DGBERN Cc1ccc(NC(=O)NC[C@@](C)(O)CCC(C)C)cc1[N+](=O)[O-] ZINC000077658614 283853824 /nfs/dbraw/zinc/85/38/24/283853824.db2.gz RJMTTXGXPTYGJN-INIZCTEOSA-N 0 0 323.393 3.212 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C1C[C@H](C)O[C@@H](C)C1 ZINC000091848414 193116827 /nfs/dbraw/zinc/11/68/27/193116827.db2.gz HWUVRHJOKFFTEW-QWRGUYRKSA-N 0 0 306.362 3.354 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCSCC[C@H]1C ZINC000189997458 432110866 /nfs/dbraw/zinc/11/08/66/432110866.db2.gz ULVQOOUBAFVXMT-XZHRJIJLSA-N 0 0 320.414 3.352 10 5 DGBERN C[C@H](C1CC1)N(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000171191337 432111898 /nfs/dbraw/zinc/11/18/98/432111898.db2.gz JPQOPNPFTGXRMQ-SNVBAGLBSA-N 0 0 313.357 3.479 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(OC)c1F ZINC000090444453 283988454 /nfs/dbraw/zinc/98/84/54/283988454.db2.gz GUWXYRPBNMJLRV-UHFFFAOYSA-N 0 0 320.276 3.003 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(F)cc1F ZINC000103376601 284028748 /nfs/dbraw/zinc/02/87/48/284028748.db2.gz OPNHOXFOJFVEEP-SECBINFHSA-N 0 0 318.279 3.464 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(F)c(F)c1 ZINC000103377023 284028903 /nfs/dbraw/zinc/02/89/03/284028903.db2.gz MPBVEYFPNOBFBX-VIFPVBQESA-N 0 0 318.279 3.464 10 5 DGBERN COc1cc(C)cc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1C ZINC000470444486 244169742 /nfs/dbraw/zinc/16/97/42/244169742.db2.gz FTJPEPNOUZDQQX-UHFFFAOYSA-N 0 0 314.341 3.401 10 5 DGBERN CC[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000120786551 284178532 /nfs/dbraw/zinc/17/85/32/284178532.db2.gz BQTNHRXPLDHHAZ-KRWDZBQOSA-N 0 0 300.358 3.372 10 5 DGBERN Cn1c(=O)ccc2ccc(NCc3cccc([N+](=O)[O-])c3)cc21 ZINC000487167235 245026836 /nfs/dbraw/zinc/02/68/36/245026836.db2.gz ZINJESKYCHWSIS-UHFFFAOYSA-N 0 0 309.325 3.059 10 5 DGBERN CC(=O)c1ccc(N[C@H](CO)c2sccc2C)c([N+](=O)[O-])c1 ZINC000487687000 245093491 /nfs/dbraw/zinc/09/34/91/245093491.db2.gz GQFCDNJIZBCYRU-CYBMUJFWSA-N 0 0 320.370 3.313 10 5 DGBERN CSCCCCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000125778057 284284152 /nfs/dbraw/zinc/28/41/52/284284152.db2.gz SCTHCTYVBDMUND-UHFFFAOYSA-N 0 0 314.432 3.190 10 5 DGBERN Cc1cccc([N+](=O)[O-])c1N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000171364049 432125377 /nfs/dbraw/zinc/12/53/77/432125377.db2.gz QYKCETWFXVAPOP-LBPRGKRZSA-N 0 0 315.377 3.045 10 5 DGBERN O=[N+]([O-])c1cccc(F)c1CN1CCO[C@@H](c2ccsc2)C1 ZINC000126497168 284307096 /nfs/dbraw/zinc/30/70/96/284307096.db2.gz FCQJFIWZEUQJQA-OAHLLOKOSA-N 0 0 322.361 3.369 10 5 DGBERN COc1cc(NC[C@@H](CCO)CC(C)C)c([N+](=O)[O-])cc1F ZINC000127413539 284338739 /nfs/dbraw/zinc/33/87/39/284338739.db2.gz ZZRZZPNFMVDTLN-NSHDSACASA-N 0 0 314.357 3.199 10 5 DGBERN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1O ZINC000015773014 182015314 /nfs/dbraw/zinc/01/53/14/182015314.db2.gz VSEYMBZJMCMEAJ-UHFFFAOYSA-N 0 0 315.310 3.162 10 5 DGBERN COc1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000015990640 182027787 /nfs/dbraw/zinc/02/77/87/182027787.db2.gz DWWCYPLSXZQDMU-UHFFFAOYSA-N 0 0 318.304 3.015 10 5 DGBERN O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CCCO1 ZINC000021145250 182266602 /nfs/dbraw/zinc/26/66/02/182266602.db2.gz CHKRNJPNOCIZBU-MRXNPFEDSA-N 0 0 312.325 3.379 10 5 DGBERN COc1ccc(OC)c([C@H](C)Nc2ncc([N+](=O)[O-])s2)c1 ZINC000190306879 432141964 /nfs/dbraw/zinc/14/19/64/432141964.db2.gz CSMPPVKJICOMPN-QMMMGPOBSA-N 0 0 309.347 3.242 10 5 DGBERN CN(Cc1ccccc1)c1ncnc(NC(C)(C)C)c1[N+](=O)[O-] ZINC000040572643 183104203 /nfs/dbraw/zinc/10/42/03/183104203.db2.gz RKNAPGDHSFUUFG-UHFFFAOYSA-N 0 0 315.377 3.232 10 5 DGBERN CCN(CC)c1ncnc(N(CC)c2ccccc2)c1[N+](=O)[O-] ZINC000040573237 183104552 /nfs/dbraw/zinc/10/45/52/183104552.db2.gz JBBFMDVMHWJJLN-UHFFFAOYSA-N 0 0 315.377 3.389 10 5 DGBERN CC(C)(C)Nc1ncnc(Nc2ccccc2F)c1[N+](=O)[O-] ZINC000040581661 183105124 /nfs/dbraw/zinc/10/51/24/183105124.db2.gz TUTLGXUJWIBCCN-UHFFFAOYSA-N 0 0 305.313 3.478 10 5 DGBERN O=[N+]([O-])c1c(Nc2ccccc2Cl)ncnc1N1CCCC1 ZINC000040609072 183108554 /nfs/dbraw/zinc/10/85/54/183108554.db2.gz FVZHMQKFJLMBPO-UHFFFAOYSA-N 0 0 319.752 3.382 10 5 DGBERN O=[N+]([O-])c1c(Nc2ccc(Cl)cc2)ncnc1N1CCCC1 ZINC000040609090 183108856 /nfs/dbraw/zinc/10/88/56/183108856.db2.gz DKJKUNHWOAQOGE-UHFFFAOYSA-N 0 0 319.752 3.382 10 5 DGBERN COc1ccc2nccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000041058068 183161148 /nfs/dbraw/zinc/16/11/48/183161148.db2.gz DIEILAZPEHZBFS-UHFFFAOYSA-N 0 0 323.308 3.404 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccs3)C2)c(F)c1 ZINC000268383012 206676346 /nfs/dbraw/zinc/67/63/46/206676346.db2.gz JYYHBFUQLXPVCL-ZDUSSCGKSA-N 0 0 308.334 3.373 10 5 DGBERN CCCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000106505138 194220541 /nfs/dbraw/zinc/22/05/41/194220541.db2.gz NCRKVGDNWKLIFQ-HNNXBMFYSA-N 0 0 321.377 3.408 10 5 DGBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCO[C@@H]2CCCC[C@H]21 ZINC000109742611 194281984 /nfs/dbraw/zinc/28/19/84/194281984.db2.gz IXMACBCMUUODQD-DGCLKSJQSA-N 0 0 324.764 3.032 10 5 DGBERN CC(=O)c1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1 ZINC000110209402 194316195 /nfs/dbraw/zinc/31/61/95/194316195.db2.gz BEHOZGMBEQGDEO-NSHDSACASA-N 0 0 324.336 3.389 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCc2ccccc21 ZINC000110370568 194326760 /nfs/dbraw/zinc/32/67/60/194326760.db2.gz QLLOBQFZEORSOV-CQSZACIVSA-N 0 0 310.353 3.363 10 5 DGBERN Cc1c(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000110450474 194331546 /nfs/dbraw/zinc/33/15/46/194331546.db2.gz HCLLGTOXVLNOFC-HOCLYGCPSA-N 0 0 310.353 3.437 10 5 DGBERN CC[C@H](NC(=O)[C@H]1CCC(=O)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245927182 284854919 /nfs/dbraw/zinc/85/49/19/284854919.db2.gz XRXLAOPYLINELK-RLCCDNCMSA-N 0 0 318.373 3.167 10 5 DGBERN Cc1cccc(C(=O)N[C@@H]2CCc3c2cccc3F)c1[N+](=O)[O-] ZINC000055692196 183994804 /nfs/dbraw/zinc/99/48/04/183994804.db2.gz IGFDKFMFBRCYGV-OAHLLOKOSA-N 0 0 314.316 3.460 10 5 DGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114440141 194656458 /nfs/dbraw/zinc/65/64/58/194656458.db2.gz KBTZGFMBENHDQY-SFHVURJKSA-N 0 0 314.385 3.486 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000114440912 194656823 /nfs/dbraw/zinc/65/68/23/194656823.db2.gz CQEVBBIDJYRTHA-QGZVFWFLSA-N 0 0 315.373 3.261 10 5 DGBERN Cc1ccc(C(=O)N2CCC[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000116042348 194712468 /nfs/dbraw/zinc/71/24/68/194712468.db2.gz OFTVPMBKYWYHMR-ZDUSSCGKSA-N 0 0 300.314 3.474 10 5 DGBERN COc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000119788456 195037263 /nfs/dbraw/zinc/03/72/63/195037263.db2.gz NFIPCERCZAKDIN-UHFFFAOYSA-N 0 0 311.297 3.337 10 5 DGBERN CC(C)Cc1nsc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000302267196 252887965 /nfs/dbraw/zinc/88/79/65/252887965.db2.gz GHRZMUWKEKLKFR-UHFFFAOYSA-N 0 0 318.402 3.208 10 5 DGBERN C[C@@H]1CC(=O)Oc2cc(Oc3ccc([N+](=O)[O-])cn3)ccc21 ZINC000302837719 252889526 /nfs/dbraw/zinc/88/95/26/252889526.db2.gz XVBSCUBWHXIUAG-SECBINFHSA-N 0 0 300.270 3.195 10 5 DGBERN O=c1[nH]cnc2cc(N[C@@H]3CCc4ccccc43)c([N+](=O)[O-])cc21 ZINC000253616817 285098534 /nfs/dbraw/zinc/09/85/34/285098534.db2.gz IXSVAWCQTSUPMF-CYBMUJFWSA-N 0 0 322.324 3.343 10 5 DGBERN COc1ccc([C@@H](C)Nc2cc(CO)ccc2[N+](=O)[O-])cc1F ZINC000302066552 533118181 /nfs/dbraw/zinc/11/81/81/533118181.db2.gz UNSZMOIWHSGBMK-SNVBAGLBSA-N 0 0 320.320 3.408 10 5 DGBERN CC(=O)c1cc(N2CCC[C@@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000342802656 254054402 /nfs/dbraw/zinc/05/44/02/254054402.db2.gz OXQVCWJXMXWHGT-KGLIPLIRSA-N 0 0 318.373 3.050 10 5 DGBERN CSCC[C@@H](C)N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000120676070 195213810 /nfs/dbraw/zinc/21/38/10/195213810.db2.gz WLWJUDOCDURCHJ-SNVBAGLBSA-N 0 0 321.402 3.290 10 5 DGBERN O=[N+]([O-])c1cc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cs1 ZINC000289618372 221106493 /nfs/dbraw/zinc/10/64/93/221106493.db2.gz RHNCESOOUWENFF-GXTWGEPZSA-N 0 0 308.403 3.190 10 5 DGBERN COc1cc(NC[C@H](O)c2ccc(C)cc2)c([N+](=O)[O-])cc1F ZINC000121833918 195357506 /nfs/dbraw/zinc/35/75/06/195357506.db2.gz LNFUUTCBTXMZSW-HNNXBMFYSA-N 0 0 320.320 3.196 10 5 DGBERN O[C@H]1[C@@H]2O[C@@H]2c2c3ccc4cccc5ccc(cc2[C@@H]1O)c3c54 ZINC000005845916 285371536 /nfs/dbraw/zinc/37/15/36/285371536.db2.gz DQEPMTIXHXSFOR-NMLBUPMWSA-N 0 0 302.329 3.432 10 5 DGBERN CSCCCCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000125652994 195773287 /nfs/dbraw/zinc/77/32/87/195773287.db2.gz YCTGVYBTLQWFST-UHFFFAOYSA-N 0 0 320.212 3.307 10 5 DGBERN O=[N+]([O-])c1ccc(N2CC[C@]3(O)CCCC[C@@H]3C2)c(Cl)c1 ZINC000128313524 195954647 /nfs/dbraw/zinc/95/46/47/195954647.db2.gz ANUDIOQMBWOZIW-IAQYHMDHSA-N 0 0 310.781 3.380 10 5 DGBERN CO[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[C@H]1C ZINC000302518965 285775529 /nfs/dbraw/zinc/77/55/29/285775529.db2.gz BDGAVRUTCBVHBS-NOZJJQNGSA-N 0 0 318.295 3.475 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCc3cc(F)ccc3C2)c1 ZINC000091672012 400130380 /nfs/dbraw/zinc/13/03/80/400130380.db2.gz HJYPFOYHGWIDBO-UHFFFAOYSA-N 0 0 320.295 3.444 10 5 DGBERN O=[N+]([O-])c1ccc2nc(NC[C@H]3CCCC[C@H]3O)ccc2c1 ZINC000315924319 400147464 /nfs/dbraw/zinc/14/74/64/400147464.db2.gz QDZSQVOUOIWLPX-IUODEOHRSA-N 0 0 301.346 3.106 10 5 DGBERN Cc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])s3)ccc2o1 ZINC000015543925 400167561 /nfs/dbraw/zinc/16/75/61/400167561.db2.gz PGFCAPBXOAFSRJ-UHFFFAOYSA-N 0 0 303.299 3.358 10 5 DGBERN Cn1ccnc1C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000610282367 400234373 /nfs/dbraw/zinc/23/43/73/400234373.db2.gz OWCKCTVWROZTRR-CQSZACIVSA-N 0 0 323.356 3.119 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@@H](Cn2cccn2)c2ccccc2)cn1 ZINC000610160297 400216965 /nfs/dbraw/zinc/21/69/65/400216965.db2.gz KRUJUNYZURNFER-HNNXBMFYSA-N 0 0 309.329 3.040 10 5 DGBERN Cc1ccc(NC(=O)NC[C@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000610530229 400272999 /nfs/dbraw/zinc/27/29/99/400272999.db2.gz BNADLXSHIYVXFM-LBPRGKRZSA-N 0 0 314.345 3.223 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1CC12CCCC2 ZINC000610471651 400261450 /nfs/dbraw/zinc/26/14/50/400261450.db2.gz QNXJEQCFGDQPQW-FZMZJTMJSA-N 0 0 300.358 3.453 10 5 DGBERN Cc1c(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000110450471 400357052 /nfs/dbraw/zinc/35/70/52/400357052.db2.gz HCLLGTOXVLNOFC-GDBMZVCRSA-N 0 0 310.353 3.437 10 5 DGBERN C[C@@H](CO)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1 ZINC000611225889 400361583 /nfs/dbraw/zinc/36/15/83/400361583.db2.gz ZWRUEUXDNRLYFU-ZDUSSCGKSA-N 0 0 301.342 3.193 10 5 DGBERN CCc1ccc(OCC(=O)Nc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000115200884 400393986 /nfs/dbraw/zinc/39/39/86/400393986.db2.gz KKAFSNHGEICTGX-UHFFFAOYSA-N 0 0 314.341 3.483 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000043721954 400476690 /nfs/dbraw/zinc/47/66/90/400476690.db2.gz SERDBQVBSIUGGY-GFCCVEGCSA-N 0 0 317.345 3.399 10 5 DGBERN COc1cc(NCC[C@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000612104527 400493123 /nfs/dbraw/zinc/49/31/23/400493123.db2.gz YBZYFXBDAMXHTM-QWRGUYRKSA-N 0 0 312.341 3.360 10 5 DGBERN C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CC=CCC1 ZINC000612404386 400540600 /nfs/dbraw/zinc/54/06/00/400540600.db2.gz UVWAIAGLFVAYHV-CYBMUJFWSA-N 0 0 318.373 3.154 10 5 DGBERN CC(=O)N(C)c1cccc(Nc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000075066385 400557002 /nfs/dbraw/zinc/55/70/02/400557002.db2.gz DBPPDNXVYZJBSN-UHFFFAOYSA-N 0 0 303.293 3.460 10 5 DGBERN CCOc1cccc(N2CC[C@H](C(C)(C)C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000613048951 400647867 /nfs/dbraw/zinc/64/78/67/400647867.db2.gz GLXDJSAPFCRRFL-GXTWGEPZSA-N 0 0 322.405 3.227 10 5 DGBERN Cc1cc([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000145279035 400645354 /nfs/dbraw/zinc/64/53/54/400645354.db2.gz CGPZXHBIVPKXGM-AWEZNQCLSA-N 0 0 322.361 3.212 10 5 DGBERN O=[N+]([O-])c1ccc(NCCOCC2CCC2)c2ccncc21 ZINC000613184892 400669042 /nfs/dbraw/zinc/66/90/42/400669042.db2.gz RQOFGXIQQRHHHJ-UHFFFAOYSA-N 0 0 301.346 3.372 10 5 DGBERN O=[N+]([O-])c1ccc(N2Cc3cccc(Br)c3C2)cn1 ZINC000613704271 400778483 /nfs/dbraw/zinc/77/84/83/400778483.db2.gz ARDCVJMXWWGZNV-UHFFFAOYSA-N 0 0 320.146 3.273 10 5 DGBERN CC(=O)c1cc(N[C@@H](C2CC2)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000593492227 400864895 /nfs/dbraw/zinc/86/48/95/400864895.db2.gz UHWHJYUATNJGRN-KRWDZBQOSA-N 0 0 318.373 3.415 10 5 DGBERN CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc([N+](=O)[O-])cn1 ZINC000059241256 401089330 /nfs/dbraw/zinc/08/93/30/401089330.db2.gz QNGZRJGXJIVUEA-CYBMUJFWSA-N 0 0 307.350 3.452 10 5 DGBERN CCc1noc([C@@H](C)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000090068497 401253211 /nfs/dbraw/zinc/25/32/11/401253211.db2.gz WBBOFUWABKODKE-MFKMUULPSA-N 0 0 304.350 3.342 10 5 DGBERN CC(C)c1nn(C)cc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000361355922 286659930 /nfs/dbraw/zinc/65/99/30/286659930.db2.gz JIRJLEYKWNBXFB-UHFFFAOYSA-N 0 0 322.752 3.357 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(N[C@H](C)c2cn(-c3ccccc3)nn2)n1 ZINC000178265913 164831772 /nfs/dbraw/zinc/83/17/72/164831772.db2.gz XGDWYDLYNOEQLN-GFCCVEGCSA-N 0 0 324.344 3.052 10 5 DGBERN O=C(NCc1ccc(C(F)F)cc1)Nc1ccncc1[N+](=O)[O-] ZINC000184040083 164966279 /nfs/dbraw/zinc/96/62/79/164966279.db2.gz GAKWHISVPBQGOF-UHFFFAOYSA-N 0 0 322.271 3.249 10 5 DGBERN O=[N+]([O-])c1cnc(N2CCC(Nc3ccccc3F)CC2)s1 ZINC000192465373 165292882 /nfs/dbraw/zinc/29/28/82/165292882.db2.gz OFGJXTOGFKUHCL-UHFFFAOYSA-N 0 0 322.365 3.271 10 5 DGBERN COc1ccc([C@@H]2C[C@H](C)N(c3ncc([N+](=O)[O-])s3)C2)cc1 ZINC000192459643 165293323 /nfs/dbraw/zinc/29/33/23/165293323.db2.gz UWVNMYAIIFJYID-CMPLNLGQSA-N 0 0 319.386 3.442 10 5 DGBERN C[C@@H]1CC(=O)Oc2cc(Oc3ncc([N+](=O)[O-])s3)ccc21 ZINC000192552825 165296855 /nfs/dbraw/zinc/29/68/55/165296855.db2.gz XMDTVJYXMKZFOD-SSDOTTSWSA-N 0 0 306.299 3.256 10 5 DGBERN C[C@H]1c2cccn2CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195213829 165362501 /nfs/dbraw/zinc/36/25/01/165362501.db2.gz KWUGHIRUVWIUCT-NSHDSACASA-N 0 0 324.340 3.095 10 5 DGBERN O=C(NCc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ccco1 ZINC000172113961 432198620 /nfs/dbraw/zinc/19/86/20/432198620.db2.gz QRZMAMZBJHIHNY-AWEZNQCLSA-N 0 0 315.329 3.235 10 5 DGBERN COCc1ccsc1C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000182497013 432195991 /nfs/dbraw/zinc/19/59/91/432195991.db2.gz BOTNFYSYOTYEJH-UHFFFAOYSA-N 0 0 318.354 3.006 10 5 DGBERN C[C@H](NCc1ccccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000150882350 432198082 /nfs/dbraw/zinc/19/80/82/432198082.db2.gz ZTTKZZJRMVQYOB-ZDUSSCGKSA-N 0 0 323.356 3.026 10 5 DGBERN C[C@@H]1CCCCCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000408166440 287250489 /nfs/dbraw/zinc/25/04/89/287250489.db2.gz YMIHQZQPYDYXFQ-LLVKDONJSA-N 0 0 301.346 3.481 10 5 DGBERN O=[N+]([O-])c1ccc(-c2noc(CSC3CCOCC3)n2)cc1 ZINC000130905771 196121270 /nfs/dbraw/zinc/12/12/70/196121270.db2.gz DJOBMAJFRWEKJD-UHFFFAOYSA-N 0 0 321.358 3.057 10 5 DGBERN COc1ccc([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000134015005 196353296 /nfs/dbraw/zinc/35/32/96/196353296.db2.gz LVKVYJMFKRJEDN-JTQLQIEISA-N 0 0 315.329 3.049 10 5 DGBERN Cc1cc(C(=O)Nc2cc(C3CC3)nc(C)n2)cc([N+](=O)[O-])c1 ZINC000160310662 228246333 /nfs/dbraw/zinc/24/63/33/228246333.db2.gz IXXWRXSDPRDCQH-UHFFFAOYSA-N 0 0 312.329 3.131 10 5 DGBERN C[C@H]1CC[C@H](C)N(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000175158942 228298080 /nfs/dbraw/zinc/29/80/80/228298080.db2.gz QHWOJBJFOYJTEX-RYUDHWBXSA-N 0 0 308.403 3.334 10 5 DGBERN O=[N+]([O-])c1ccc2nc(N3CCC[C@H](n4cccn4)C3)ccc2c1 ZINC000301201043 229557419 /nfs/dbraw/zinc/55/74/19/229557419.db2.gz WMJCEYXNDXKDSH-HNNXBMFYSA-N 0 0 323.356 3.181 10 5 DGBERN C[C@H](CNc1cc(CO)ccc1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000302020454 230041609 /nfs/dbraw/zinc/04/16/09/230041609.db2.gz FCPYUKJQOSIQBF-LLVKDONJSA-N 0 0 320.320 3.106 10 5 DGBERN Cc1cnn(CCNc2cc(C)nc3c2cccc3[N+](=O)[O-])c1 ZINC000302026801 230045071 /nfs/dbraw/zinc/04/50/71/230045071.db2.gz QNAUIJVWDWNRAS-UHFFFAOYSA-N 0 0 311.345 3.068 10 5 DGBERN Cc1cc(NCc2ccnc3ccnn32)c(Cl)cc1[N+](=O)[O-] ZINC000302038348 230054364 /nfs/dbraw/zinc/05/43/64/230054364.db2.gz KTSRCNRNGWWNTQ-UHFFFAOYSA-N 0 0 317.736 3.211 10 5 DGBERN Cc1cccc(O[C@H](C)CNc2cc(CO)ccc2[N+](=O)[O-])c1 ZINC000302060914 230071922 /nfs/dbraw/zinc/07/19/22/230071922.db2.gz RZCDZEUXIYDCKA-CYBMUJFWSA-N 0 0 316.357 3.275 10 5 DGBERN CCC1(CC)CN(Cc2ccc([N+](=O)[O-])cc2C)CC[S@@]1=O ZINC000187567122 263676844 /nfs/dbraw/zinc/67/68/44/263676844.db2.gz HEDSFWNNGFQIHJ-QFIPXVFZSA-N 0 0 324.446 3.026 10 5 DGBERN C[C@H]1[C@H](C(F)(F)F)CCN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000359883985 271008948 /nfs/dbraw/zinc/00/89/48/271008948.db2.gz YIQSEAZCINQTTP-NKWVEPMBSA-N 0 0 307.247 3.093 10 5 DGBERN CC(=O)c1csc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000342066811 277117386 /nfs/dbraw/zinc/11/73/86/277117386.db2.gz TVLPOEQLBZXTMT-SECBINFHSA-N 0 0 318.354 3.350 10 5 DGBERN COC(C)(C)C[C@@H](C)NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000184275726 277177031 /nfs/dbraw/zinc/17/70/31/277177031.db2.gz MNWUUFHAYDPTOS-RSKUSDAESA-N 0 0 320.389 3.318 10 5 DGBERN CO[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[C@@H]1C ZINC000302551053 277300405 /nfs/dbraw/zinc/30/04/05/277300405.db2.gz JXRMTMXVGBCBGH-XHDPSFHLSA-N 0 0 301.346 3.004 10 5 DGBERN COc1cc([N+](=O)[O-])c(Br)cc1Br ZINC000031777080 277389141 /nfs/dbraw/zinc/38/91/41/277389141.db2.gz LLYFTAQHQDLPIT-UHFFFAOYSA-N 0 0 310.929 3.128 10 5 DGBERN CC[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)C1CCCCC1 ZINC000611240365 430567833 /nfs/dbraw/zinc/56/78/33/430567833.db2.gz AWWQGOFRKQBCEQ-LBPRGKRZSA-N 0 0 303.366 3.408 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1COc2ccccc21 ZINC000113025414 278503355 /nfs/dbraw/zinc/50/33/55/278503355.db2.gz RUMOZBREOMADIW-XHDPSFHLSA-N 0 0 324.336 3.049 10 5 DGBERN O=C(NCCCc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000068181178 431115029 /nfs/dbraw/zinc/11/50/29/431115029.db2.gz OJOCWEPAMUDTCM-UHFFFAOYSA-N 0 0 320.295 3.236 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1cccc(F)c1 ZINC000068178618 431115284 /nfs/dbraw/zinc/11/52/84/431115284.db2.gz YATQEJTZSXGQGZ-UHFFFAOYSA-N 0 0 316.332 3.405 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccncc1Cl ZINC000174058857 279013141 /nfs/dbraw/zinc/01/31/41/279013141.db2.gz GMUHSVQRBUYNDW-SECBINFHSA-N 0 0 317.732 3.235 10 5 DGBERN Cc1sc(C(=O)N2CCCc3c(N)cccc32)cc1[N+](=O)[O-] ZINC000237722975 279282135 /nfs/dbraw/zinc/28/21/35/279282135.db2.gz PMFVGIFNJBGHDO-UHFFFAOYSA-N 0 0 317.370 3.140 10 5 DGBERN C[C@H]1CCCC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301113444 279657680 /nfs/dbraw/zinc/65/76/80/279657680.db2.gz LIBYBOPMRLMZEW-QWRGUYRKSA-N 0 0 319.361 3.164 10 5 DGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@]2(CC=CCC2)C1 ZINC000114436756 431388017 /nfs/dbraw/zinc/38/80/17/431388017.db2.gz STWKEAFMAFKHPK-GOSISDBHSA-N 0 0 314.385 3.486 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1c1cn[nH]c1 ZINC000114484329 431395629 /nfs/dbraw/zinc/39/56/29/431395629.db2.gz PCRXXWKHYIFWHI-HNNXBMFYSA-N 0 0 316.361 3.054 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(C)C)CC1 ZINC000114665708 431403626 /nfs/dbraw/zinc/40/36/26/431403626.db2.gz RRLANSKGRNOWHJ-ZDUSSCGKSA-N 0 0 305.378 3.197 10 5 DGBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000116273953 431500288 /nfs/dbraw/zinc/50/02/88/431500288.db2.gz SVDFKSAHPLKSDU-ZFWWWQNUSA-N 0 0 310.781 3.392 10 5 DGBERN CC[C@@H]1CCCCN1c1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000301735313 280255298 /nfs/dbraw/zinc/25/52/98/280255298.db2.gz UTSWWJXZMVHUNM-GFCCVEGCSA-N 0 0 306.362 3.459 10 5 DGBERN C[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000027893043 431695923 /nfs/dbraw/zinc/69/59/23/431695923.db2.gz HRIYVSWGTJYXFV-XHDPSFHLSA-N 0 0 320.389 3.190 10 5 DGBERN Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1 ZINC000078783998 431708746 /nfs/dbraw/zinc/70/87/46/431708746.db2.gz SPKCDOCNDCNRRH-UHFFFAOYSA-N 0 0 322.324 3.341 10 5 DGBERN COC(=O)c1ccc(F)c(NCc2csc([N+](=O)[O-])c2)c1 ZINC000037562812 431847401 /nfs/dbraw/zinc/84/74/01/431847401.db2.gz XJPXHHPBKQPUGZ-UHFFFAOYSA-N 0 0 310.306 3.194 10 5 DGBERN NC(=O)c1cc(NCc2csc([N+](=O)[O-])c2)ccc1Cl ZINC000037562915 431847946 /nfs/dbraw/zinc/84/79/46/431847946.db2.gz PAQQGBOXKYJNHC-UHFFFAOYSA-N 0 0 311.750 3.021 10 5 DGBERN Cc1ccc(NC(=O)CN(C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000047265314 431908186 /nfs/dbraw/zinc/90/81/86/431908186.db2.gz PGUCBEYLEPUOEI-UHFFFAOYSA-N 0 0 319.386 3.035 10 5 DGBERN CCN(CCc1ccccc1)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000045488594 431886510 /nfs/dbraw/zinc/88/65/10/431886510.db2.gz LGJKLLOJERTLRP-UHFFFAOYSA-N 0 0 313.357 3.003 10 5 DGBERN O=[N+]([O-])c1c(NCCCCC(F)(F)F)nc2sccn21 ZINC000125850454 431937145 /nfs/dbraw/zinc/93/71/45/431937145.db2.gz QWLLRZSBPCRSEN-UHFFFAOYSA-N 0 0 308.285 3.449 10 5 DGBERN CC(C)[C@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050288154 431947643 /nfs/dbraw/zinc/94/76/43/431947643.db2.gz NMQOTVYXCPAGME-JTQLQIEISA-N 0 0 319.386 3.493 10 5 DGBERN O=[N+]([O-])c1ccccc1CN1CCO[C@H](c2ccsc2)C1 ZINC000126570385 431953089 /nfs/dbraw/zinc/95/30/89/431953089.db2.gz LJYGOSFGYBFSHP-HNNXBMFYSA-N 0 0 304.371 3.230 10 5 DGBERN Cc1ccccc1N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054153027 431968340 /nfs/dbraw/zinc/96/83/40/431968340.db2.gz YLWXFPADPOJHDH-UHFFFAOYSA-N 0 0 317.414 3.287 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccccc1Cl ZINC000127910636 431984025 /nfs/dbraw/zinc/98/40/25/431984025.db2.gz HUTRFXLOYDRENF-SNVBAGLBSA-N 0 0 319.748 3.443 10 5 DGBERN Cc1cccc(NC2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000301289522 281243767 /nfs/dbraw/zinc/24/37/67/281243767.db2.gz NDBISWNGCVWXJC-UHFFFAOYSA-N 0 0 312.373 3.379 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)n1 ZINC000191501175 432271310 /nfs/dbraw/zinc/27/13/10/432271310.db2.gz GSLLHCXOYUAMRV-NWDGAFQWSA-N 0 0 322.409 3.146 10 5 DGBERN Cc1ccc([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3C)CCO2)o1 ZINC000183389612 432289451 /nfs/dbraw/zinc/28/94/51/432289451.db2.gz LQUDGIUJCATFEY-QGZVFWFLSA-N 0 0 316.357 3.378 10 5 DGBERN Cc1sc(C(=O)NCCC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000183480535 432297397 /nfs/dbraw/zinc/29/73/97/432297397.db2.gz DVVCZYOFJCELQO-LLVKDONJSA-N 0 0 312.391 3.044 10 5 DGBERN CC(C)(C)C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173785515 432299713 /nfs/dbraw/zinc/29/97/13/432299713.db2.gz XDDYWBWMLBPWKP-UHFFFAOYSA-N 0 0 304.390 3.422 10 5 DGBERN COc1ccc2c(c1)CCN2c1nc2sccn2c1[N+](=O)[O-] ZINC000058544212 431997113 /nfs/dbraw/zinc/99/71/13/431997113.db2.gz CSVJMMZDKBFDDV-UHFFFAOYSA-N 0 0 316.342 3.007 10 5 DGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000249019362 432334657 /nfs/dbraw/zinc/33/46/57/432334657.db2.gz JVXGBSFHSYSRPU-YWVIFJGQSA-N 0 0 322.405 3.116 10 5 DGBERN COc1cccc(F)c1[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000174504370 432352409 /nfs/dbraw/zinc/35/24/09/432352409.db2.gz QFZYAWGZUPFXJC-JTQLQIEISA-N 0 0 318.304 3.234 10 5 DGBERN CC[C@H](NC(=O)c1ncc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000192371722 432366562 /nfs/dbraw/zinc/36/65/62/432366562.db2.gz MNULEXWPLJPQFH-ZDUSSCGKSA-N 0 0 321.283 3.149 10 5 DGBERN CC[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1cccc([N+](=O)[O-])c1 ZINC000175456855 432438176 /nfs/dbraw/zinc/43/81/76/432438176.db2.gz ZUUVMTLXRGAWSV-AWEZNQCLSA-N 0 0 324.340 3.352 10 5 DGBERN COc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000153915615 432456388 /nfs/dbraw/zinc/45/63/88/432456388.db2.gz GSPRUZWEDKOMTJ-UHFFFAOYSA-N 0 0 304.277 3.303 10 5 DGBERN Cc1cccc(NC(=O)COc2c(F)cccc2[N+](=O)[O-])c1 ZINC000185031863 432458700 /nfs/dbraw/zinc/45/87/00/432458700.db2.gz AAHUTEXZNNCFPS-UHFFFAOYSA-N 0 0 304.277 3.060 10 5 DGBERN CCOCCCCNC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000175904829 432477770 /nfs/dbraw/zinc/47/77/70/432477770.db2.gz NQUUADLDPJXMDR-OAHLLOKOSA-N 0 0 323.393 3.162 10 5 DGBERN COc1cccc(NCCCc2nc(C(C)C)no2)c1[N+](=O)[O-] ZINC000185252796 432484853 /nfs/dbraw/zinc/48/48/53/432484853.db2.gz ZKLIHKIPAOBLMC-UHFFFAOYSA-N 0 0 320.349 3.155 10 5 DGBERN Cc1ccc(OC[C@H](O)COc2cccc([N+](=O)[O-])c2C)cc1 ZINC000154025216 432464285 /nfs/dbraw/zinc/46/42/85/432464285.db2.gz QOTOPTLNJKUGNS-AWEZNQCLSA-N 0 0 317.341 3.030 10 5 DGBERN Cc1ccc(N2C[C@@H](c3ccsc3)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000186148920 432561902 /nfs/dbraw/zinc/56/19/02/432561902.db2.gz WCHBGYBEHVIHSF-KBPBESRZSA-N 0 0 318.398 3.177 10 5 DGBERN CC(=O)c1ccc(N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000272569657 432526934 /nfs/dbraw/zinc/52/69/34/432526934.db2.gz SWZBWTCITOYJJN-CJNGLKHVSA-N 0 0 320.389 3.031 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N([C@@H](C)c1ccco1)C1CC1 ZINC000194234481 432535710 /nfs/dbraw/zinc/53/57/10/432535710.db2.gz CTIKCKZONCWFLJ-NSHDSACASA-N 0 0 315.329 3.257 10 5 DGBERN C[C@@H](c1ccccn1)N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195193568 432611445 /nfs/dbraw/zinc/61/14/45/432611445.db2.gz WUTPHIYLCUYWNL-NSHDSACASA-N 0 0 324.340 3.304 10 5 DGBERN COc1cc(C(=O)N[C@@H](C)c2cccs2)ccc1[N+](=O)[O-] ZINC000195229763 432611882 /nfs/dbraw/zinc/61/18/82/432611882.db2.gz NBAFFISFYCMGFR-VIFPVBQESA-N 0 0 306.343 3.156 10 5 DGBERN COc1ccc2c(c1)CCN2C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000194837856 432579294 /nfs/dbraw/zinc/57/92/94/432579294.db2.gz ZZFCWNDVSXMWQK-UHFFFAOYSA-N 0 0 312.325 3.115 10 5 DGBERN CN(CC(=O)Nc1ccc2cc[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC000194846555 432581004 /nfs/dbraw/zinc/58/10/04/432581004.db2.gz VFUKQGYYSUDAOG-UHFFFAOYSA-N 0 0 324.340 3.151 10 5 DGBERN CC(C)(C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000155963656 432583335 /nfs/dbraw/zinc/58/33/35/432583335.db2.gz LEOBRGNUIQKLTH-UHFFFAOYSA-N 0 0 318.304 3.356 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000177197969 432596753 /nfs/dbraw/zinc/59/67/53/432596753.db2.gz SUZQXMIIXXUUHV-RYUDHWBXSA-N 0 0 313.357 3.220 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000177197953 432597742 /nfs/dbraw/zinc/59/77/42/432597742.db2.gz SUZQXMIIXXUUHV-VXGBXAGGSA-N 0 0 313.357 3.220 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc2cccnc21 ZINC000195063470 432598453 /nfs/dbraw/zinc/59/84/53/432598453.db2.gz XBXDXRNPEMZGPM-UHFFFAOYSA-N 0 0 308.297 3.099 10 5 DGBERN COc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000195519562 432625840 /nfs/dbraw/zinc/62/58/40/432625840.db2.gz WEBSCZMNMSNIQA-UHFFFAOYSA-N 0 0 321.720 3.213 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000195523360 432627032 /nfs/dbraw/zinc/62/70/32/432627032.db2.gz MXJZOVIGWWSLIX-UHFFFAOYSA-N 0 0 309.684 3.343 10 5 DGBERN O=[N+]([O-])c1ccc(CCN2CCO[C@@H](c3cccs3)C2)cc1 ZINC000157392498 432618863 /nfs/dbraw/zinc/61/88/63/432618863.db2.gz RFRAOCSVOITXAB-OAHLLOKOSA-N 0 0 318.398 3.272 10 5 DGBERN CC[C@@H](NC(=O)CCc1cscn1)c1cccc([N+](=O)[O-])c1 ZINC000177787764 432661901 /nfs/dbraw/zinc/66/19/01/432661901.db2.gz QZTARGLUCCWXNT-CQSZACIVSA-N 0 0 319.386 3.251 10 5 DGBERN CSc1ccc(C(=O)NC[C@@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000187403728 432662692 /nfs/dbraw/zinc/66/26/92/432662692.db2.gz WMGKGSICIBORJS-NSHDSACASA-N 0 0 324.402 3.004 10 5 DGBERN CC[C@@H](NC(=O)c1cc(Cl)c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000177806959 432663215 /nfs/dbraw/zinc/66/32/15/432663215.db2.gz RDBDTMJGAMGDJU-GFCCVEGCSA-N 0 0 307.737 3.457 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000160373165 432717171 /nfs/dbraw/zinc/71/71/71/432717171.db2.gz NIYKRFQZBZFANM-IINYFYTJSA-N 0 0 310.325 3.112 10 5 DGBERN Cc1c(CC(=O)N[C@H](C)c2cccs2)cccc1[N+](=O)[O-] ZINC000178552490 432751943 /nfs/dbraw/zinc/75/19/43/432751943.db2.gz QMTZDTYJYXOVDD-LLVKDONJSA-N 0 0 304.371 3.385 10 5 DGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCC1=CCCC1 ZINC000178834308 432781360 /nfs/dbraw/zinc/78/13/60/432781360.db2.gz WBTDCCUCLXQTTC-UHFFFAOYSA-N 0 0 303.362 3.237 10 5 DGBERN CCC[C@H]1C[C@H]1Nc1c(Br)cncc1[N+](=O)[O-] ZINC000231630389 432732368 /nfs/dbraw/zinc/73/23/68/432732368.db2.gz ODURQCHPKJWJKQ-IONNQARKSA-N 0 0 300.156 3.353 10 5 DGBERN CN(Cc1csc([N+](=O)[O-])c1)Cc1ccc([S@@](C)=O)cc1 ZINC000178428825 432735268 /nfs/dbraw/zinc/73/52/68/432735268.db2.gz LEFFLOMMLPFRHB-OAQYLSRUSA-N 0 0 324.427 3.026 10 5 DGBERN CC(C)[C@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000162269007 432818341 /nfs/dbraw/zinc/81/83/41/432818341.db2.gz OYPRMASDFMGQAB-LBPRGKRZSA-N 0 0 305.378 3.313 10 5 DGBERN Cc1cnc(CCN(C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000178934453 432789250 /nfs/dbraw/zinc/78/92/50/432789250.db2.gz ISDDVEHRFLMHTP-UHFFFAOYSA-N 0 0 320.374 3.066 10 5 DGBERN CS[C@H](C)C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000161744881 432795563 /nfs/dbraw/zinc/79/55/63/432795563.db2.gz QCXHLNUTRHZSTI-SECBINFHSA-N 0 0 305.359 3.141 10 5 DGBERN O=C(CN1CCCC12CCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000373101556 433091692 /nfs/dbraw/zinc/09/16/92/433091692.db2.gz WLKOCURWFVEBCY-UHFFFAOYSA-N 0 0 323.780 3.205 10 5 DGBERN C[C@@H]1C[C@H]1CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454274634 433356379 /nfs/dbraw/zinc/35/63/79/433356379.db2.gz RCQJVASRYHQGMQ-SNPRPXQTSA-N 0 0 317.389 3.140 10 5 DGBERN Cc1ccnc(N2CCO[C@H](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000408197934 292775229 /nfs/dbraw/zinc/77/52/29/292775229.db2.gz KMRQSQXAEVXXJP-AWEZNQCLSA-N 0 0 305.378 3.084 10 5 DGBERN C[C@]12CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)C[C@H]1C2(F)F ZINC000291981050 433416067 /nfs/dbraw/zinc/41/60/67/433416067.db2.gz PUEQLRNFGXXDGL-OCCSQVGLSA-N 0 0 309.316 3.044 10 5 DGBERN C[C@@H](CCC(C)(C)C)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301274957 433482782 /nfs/dbraw/zinc/48/27/82/433482782.db2.gz LPGHAUCZGXXJKL-NSHDSACASA-N 0 0 318.377 3.229 10 5 DGBERN CC(C)CC[C@](C)(O)CNc1ncc([N+](=O)[O-])cc1Cl ZINC000301341403 433516327 /nfs/dbraw/zinc/51/63/27/433516327.db2.gz IEIVSSCNKDIGQF-ZDUSSCGKSA-N 0 0 301.774 3.242 10 5 DGBERN CC(=O)c1ccc(N(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000301346602 433518070 /nfs/dbraw/zinc/51/80/70/433518070.db2.gz JWLXDAKIGAVCKD-APHBMKBZSA-N 0 0 318.373 3.047 10 5 DGBERN CC(=O)N(C)c1cccc(Nc2ncc([N+](=O)[O-])cc2Cl)c1 ZINC000301427433 433549953 /nfs/dbraw/zinc/54/99/53/433549953.db2.gz MIUSRWITGNDUHD-UHFFFAOYSA-N 0 0 320.736 3.370 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@H]2C[C@@](C)(OC)C2(C)C)c1 ZINC000301457244 433565324 /nfs/dbraw/zinc/56/53/24/433565324.db2.gz CJTOMAPZCKTCIE-SWLSCSKDSA-N 0 0 312.341 3.358 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CC[C@@H](SC)C2)c1 ZINC000301470233 433569232 /nfs/dbraw/zinc/56/92/32/433569232.db2.gz ISAQVUUYOFLRDE-PSASIEDQSA-N 0 0 300.355 3.439 10 5 DGBERN CO[C@@H](C)c1nc(CN(C)c2nccc(C)c2[N+](=O)[O-])cs1 ZINC000301557399 433612245 /nfs/dbraw/zinc/61/22/45/433612245.db2.gz NSIGFMOTXYFMCG-JTQLQIEISA-N 0 0 322.390 3.099 10 5 DGBERN CC(C)C[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1cccs1 ZINC000301566504 433616249 /nfs/dbraw/zinc/61/62/49/433616249.db2.gz QCZZWLJEOMHNOD-SECBINFHSA-N 0 0 307.379 3.228 10 5 DGBERN COC(=O)c1cc(N2CC[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000301576358 433618928 /nfs/dbraw/zinc/61/89/28/433618928.db2.gz NSLXOUYDSNLPOX-FZMZJTMJSA-N 0 0 304.346 3.150 10 5 DGBERN Cc1nc(N[C@H](C)c2cn(-c3ccccc3)nn2)ccc1[N+](=O)[O-] ZINC000301662828 433661285 /nfs/dbraw/zinc/66/12/85/433661285.db2.gz NFCNCVYUBKGUFH-LLVKDONJSA-N 0 0 324.344 3.052 10 5 DGBERN CSCCN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000301675982 433668308 /nfs/dbraw/zinc/66/83/08/433668308.db2.gz PUESTUFWWZMQLS-UHFFFAOYSA-N 0 0 305.197 3.157 10 5 DGBERN C[C@H](Nc1ccccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000301678559 433675097 /nfs/dbraw/zinc/67/50/97/433675097.db2.gz UCSPTHZJXCVBTD-LBPRGKRZSA-N 0 0 309.329 3.349 10 5 DGBERN CCS[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1 ZINC000301702969 433688284 /nfs/dbraw/zinc/68/82/84/433688284.db2.gz FEBQKLFJYUSNJD-JSGCOSHPSA-N 0 0 324.402 3.468 10 5 DGBERN Cc1ccnc(C2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)n1 ZINC000374923277 293462081 /nfs/dbraw/zinc/46/20/81/293462081.db2.gz DKNOYTWJZBFHTR-UHFFFAOYSA-N 0 0 312.373 3.386 10 5 DGBERN C[C@@H]1C[C@H](c2ccccc2)N(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000376236020 293630320 /nfs/dbraw/zinc/63/03/20/293630320.db2.gz ABADGWRYCQQGKF-TZMCWYRMSA-N 0 0 323.356 3.225 10 5 DGBERN O=[N+]([O-])c1ccc(NC[C@H](CO)C2CC2)c(C(F)(F)F)c1 ZINC000357776078 434173498 /nfs/dbraw/zinc/17/34/98/434173498.db2.gz RZEVCRUBFNJMFD-SECBINFHSA-N 0 0 304.268 3.044 10 5 DGBERN CCc1ccc(OCC(=O)c2cccc(OC)c2)c([N+](=O)[O-])c1 ZINC000391332546 434379104 /nfs/dbraw/zinc/37/91/04/434379104.db2.gz VSIFSCUJKCIXIZ-UHFFFAOYSA-N 0 0 315.325 3.428 10 5 DGBERN CCOc1ccc(C(=O)N(CC)CC2CCC2)cc1[N+](=O)[O-] ZINC000358145378 434350210 /nfs/dbraw/zinc/35/02/10/434350210.db2.gz HVLIPOYHMUYBGE-UHFFFAOYSA-N 0 0 306.362 3.256 10 5 DGBERN COc1cccc(N2CC[C@@H](C(F)(F)F)[C@@H]2C)c1[N+](=O)[O-] ZINC000480556234 295306105 /nfs/dbraw/zinc/30/61/05/295306105.db2.gz QGSNMPFVRVCHQL-DTWKUNHWSA-N 0 0 304.268 3.381 10 5 DGBERN COc1cccc(N2CC[C@H](C(F)(F)F)[C@@H]2C)c1[N+](=O)[O-] ZINC000480556235 295306175 /nfs/dbraw/zinc/30/61/75/295306175.db2.gz QGSNMPFVRVCHQL-IUCAKERBSA-N 0 0 304.268 3.381 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2CCCOC2)no1 ZINC000445525529 434808615 /nfs/dbraw/zinc/80/86/15/434808615.db2.gz OVLKFKWWPXUHKV-PRWOLLLXSA-N 0 0 315.329 3.432 10 5 DGBERN COC(=O)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1C(F)(F)F ZINC000575379368 435031698 /nfs/dbraw/zinc/03/16/98/435031698.db2.gz HTPDDNQRSBPXQZ-UHFFFAOYSA-N 0 0 317.141 3.419 10 5 DGBERN CCOc1c(OC(F)F)cc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575657498 435039550 /nfs/dbraw/zinc/03/95/50/435039550.db2.gz NQVJYRUUNUVGPL-UHFFFAOYSA-N 0 0 317.166 3.494 10 5 DGBERN CCOc1c(OC(F)(F)F)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575657595 435039753 /nfs/dbraw/zinc/03/97/53/435039753.db2.gz OPANCCAQFVDCEJ-UHFFFAOYSA-N 0 0 317.166 3.494 10 5 DGBERN COc1cc(OC(F)F)cc([N+](=O)[O-])c1OC(F)(F)F ZINC000575667177 435041645 /nfs/dbraw/zinc/04/16/45/435041645.db2.gz KSNSCXAEPJKPEZ-UHFFFAOYSA-N 0 0 303.139 3.103 10 5 DGBERN CC(=O)c1cc(OC(F)F)c([N+](=O)[O-])cc1Br ZINC000575683248 435043805 /nfs/dbraw/zinc/04/38/05/435043805.db2.gz NRZYCWUJRUIGMP-UHFFFAOYSA-N 0 0 310.050 3.161 10 5 DGBERN CC(=O)c1c(OC(F)F)ccc(Br)c1[N+](=O)[O-] ZINC000575683860 435044386 /nfs/dbraw/zinc/04/43/86/435044386.db2.gz SYGBYVVGKOUTON-UHFFFAOYSA-N 0 0 310.050 3.161 10 5 DGBERN CCOC(=O)c1c(CC)ccc([N+](=O)[O-])c1Br ZINC000575698953 435046218 /nfs/dbraw/zinc/04/62/18/435046218.db2.gz FNONRKNNTAEXIL-UHFFFAOYSA-N 0 0 302.124 3.096 10 5 DGBERN CCOC(=O)Cc1c(Br)cc([N+](=O)[O-])cc1CC ZINC000575700918 435047652 /nfs/dbraw/zinc/04/76/52/435047652.db2.gz YKJABYOODGESKS-UHFFFAOYSA-N 0 0 316.151 3.025 10 5 DGBERN CCOC(=O)c1cc(Cl)cc(Br)c1[N+](=O)[O-] ZINC000575700731 435047734 /nfs/dbraw/zinc/04/77/34/435047734.db2.gz WKSHVLRJRVQXCA-UHFFFAOYSA-N 0 0 308.515 3.187 10 5 DGBERN CCOC(=O)c1cc(Br)c([N+](=O)[O-])c(CC)c1 ZINC000575700857 435047906 /nfs/dbraw/zinc/04/79/06/435047906.db2.gz WNRITOULRFVSQM-UHFFFAOYSA-N 0 0 302.124 3.096 10 5 DGBERN COc1ccc([C@H](OC)[C@H](C)Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC000560839520 435193060 /nfs/dbraw/zinc/19/30/60/435193060.db2.gz UVSOBCUHLMHBSS-MEDUHNTESA-N 0 0 317.345 3.187 10 5 DGBERN COc1cc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000579430442 435153436 /nfs/dbraw/zinc/15/34/36/435153436.db2.gz KXTGQQHWPGTHRV-SNVBAGLBSA-N 0 0 316.313 3.051 10 5 DGBERN C[C@@H](Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])[C@H](C)O ZINC000550206853 435797947 /nfs/dbraw/zinc/79/79/47/435797947.db2.gz UIDKUNHUTZETNN-QWHCGFSZSA-N 0 0 301.342 3.334 10 5 DGBERN Cc1ccnc(N2CCO[C@@H](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000408197935 302272816 /nfs/dbraw/zinc/27/28/16/302272816.db2.gz KMRQSQXAEVXXJP-CQSZACIVSA-N 0 0 305.378 3.084 10 5 DGBERN Cc1cnc(N2CCO[C@H](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000408198380 302351592 /nfs/dbraw/zinc/35/15/92/302351592.db2.gz MTRPEMCZSSOIJQ-HNNXBMFYSA-N 0 0 305.378 3.084 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000052895512 302705109 /nfs/dbraw/zinc/70/51/09/302705109.db2.gz VMPGJQPZUOHFKA-WFASDCNBSA-N 0 0 303.362 3.093 10 5 DGBERN CCc1noc(C)c1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000132836606 312652046 /nfs/dbraw/zinc/65/20/46/312652046.db2.gz YZDJRZVHXWEVOY-UHFFFAOYSA-N 0 0 303.318 3.025 10 5 DGBERN CC(C)[C@@H](C)CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000172448055 312748825 /nfs/dbraw/zinc/74/88/25/312748825.db2.gz IRLGPZGJOAOFGJ-NWDGAFQWSA-N 0 0 310.419 3.484 10 5 DGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)n1nc(-c2cccs2)oc1=O ZINC000179724451 312814235 /nfs/dbraw/zinc/81/42/35/312814235.db2.gz ASTMJDZWQSQSAS-VIFPVBQESA-N 0 0 317.326 3.082 10 5 DGBERN CCC(=O)c1ccc(N2CCC[C@@H]2c2cc[nH]n2)c([N+](=O)[O-])c1 ZINC000376485547 312954707 /nfs/dbraw/zinc/95/47/07/312954707.db2.gz FAEXJVNUWAYJFV-CYBMUJFWSA-N 0 0 314.345 3.252 10 5 DGBERN CCOc1cc(N2CCC[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000530669235 313394839 /nfs/dbraw/zinc/39/48/39/313394839.db2.gz WAKXLIQRSKQFAX-QGZVFWFLSA-N 0 0 320.389 3.391 10 5 DGBERN Cc1ccc(-c2noc(CCOCC(C)C)n2)cc1[N+](=O)[O-] ZINC000546270909 314298781 /nfs/dbraw/zinc/29/87/81/314298781.db2.gz FGSJZDLXVSKWGM-UHFFFAOYSA-N 0 0 305.334 3.168 10 5 DGBERN Cc1cc(N2CCC[C@H](C(F)(F)F)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000548483426 314452342 /nfs/dbraw/zinc/45/23/42/314452342.db2.gz IAKOURLKEWZBTE-UWVGGRQHSA-N 0 0 303.284 3.465 10 5 DGBERN O=C(N[C@@H]1C=CCCC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000564324804 315169496 /nfs/dbraw/zinc/16/94/96/315169496.db2.gz IKQVOHQNTMFITE-SECBINFHSA-N 0 0 314.263 3.452 10 5 DGBERN Cc1cnc(N[C@@H]2CCc3cnn(C(C)C)c3C2)c([N+](=O)[O-])c1 ZINC000569899797 315610429 /nfs/dbraw/zinc/61/04/29/315610429.db2.gz HSBUKSHIVIKZPH-CYBMUJFWSA-N 0 0 315.377 3.045 10 5 DGBERN Cc1csc([C@@H](C)NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000574808787 316002759 /nfs/dbraw/zinc/00/27/59/316002759.db2.gz ICHUDJDHVRQPNH-WDEREUQCSA-N 0 0 319.386 3.341 10 5 DGBERN Cc1csc([C@H](C)NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000574808783 316002976 /nfs/dbraw/zinc/00/29/76/316002976.db2.gz ICHUDJDHVRQPNH-MNOVXSKESA-N 0 0 319.386 3.341 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H](C)C(=O)OC(C)(C)C ZINC000183372805 323335191 /nfs/dbraw/zinc/33/51/91/323335191.db2.gz UCWYEMMLCGGLET-GFCCVEGCSA-N 0 0 308.378 3.065 10 5 DGBERN CCCNc1ccccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000183592300 323342716 /nfs/dbraw/zinc/34/27/16/323342716.db2.gz QJUDGWWTFLFINO-UHFFFAOYSA-N 0 0 314.345 3.372 10 5 DGBERN C[C@H](C(=O)N1C[C@H](C)CC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000184335098 323362346 /nfs/dbraw/zinc/36/23/46/323362346.db2.gz GYJQVBQNIUKKDS-UTUOFQBUSA-N 0 0 308.353 3.484 10 5 DGBERN Cc1ccc(CN(C)C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000184725962 323372744 /nfs/dbraw/zinc/37/27/44/323372744.db2.gz CXKNNINNYZCTLX-NSHDSACASA-N 0 0 320.320 3.397 10 5 DGBERN COc1cccc(N2CCC[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000185096386 323381817 /nfs/dbraw/zinc/38/18/17/323381817.db2.gz XEVQOVFMWNSFCD-VIFPVBQESA-N 0 0 304.268 3.382 10 5 DGBERN COc1cccc(N2CCC[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000185096406 323381822 /nfs/dbraw/zinc/38/18/22/323381822.db2.gz XEVQOVFMWNSFCD-SECBINFHSA-N 0 0 304.268 3.382 10 5 DGBERN CN(CCOc1ccccc1Cl)c1ccc([N+](=O)[O-])nc1 ZINC000580665705 324024586 /nfs/dbraw/zinc/02/45/86/324024586.db2.gz IIZGTXPSTHFTQW-UHFFFAOYSA-N 0 0 307.737 3.158 10 5 DGBERN O=c1c(O)cc2c3cc(O)c(=O)c4cccc(c5cccc1c52)c43 ZINC000584630731 337376803 /nfs/dbraw/zinc/37/68/03/337376803.db2.gz BAPKMGARUPLMML-UHFFFAOYSA-N 0 0 314.296 3.307 10 5 DGBERN COc1cccc([C@@H]2Sc3ccccc3[C@@H](O)[C@H]2[N+](=O)[O-])c1 ZINC000584654256 337377714 /nfs/dbraw/zinc/37/77/14/337377714.db2.gz TXHRISINDABPOV-OAGGEKHMSA-N 0 0 317.366 3.221 10 5 DGBERN CC(=O)c1ccc(N[C@H](C2CC2)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000593491382 500592399 /nfs/dbraw/zinc/59/23/99/500592399.db2.gz ICRXLEKABDDJRS-QGZVFWFLSA-N 0 0 318.373 3.415 10 5 DGBERN C[C@@H]1CC[C@@H](C)N(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000075288211 500897256 /nfs/dbraw/zinc/89/72/56/500897256.db2.gz RPJGSYGVVGROMC-GHMZBOCLSA-N 0 0 301.346 3.337 10 5 DGBERN COC(=O)c1cc(N2CC[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000301576359 533851153 /nfs/dbraw/zinc/85/11/53/533851153.db2.gz NSLXOUYDSNLPOX-RISCZKNCSA-N 0 0 304.346 3.150 10 5 DGBERN COC(=O)c1cc(N[C@@H]2CCC[C@H](OC)C2)cc(C)c1[N+](=O)[O-] ZINC000301780415 533893654 /nfs/dbraw/zinc/89/36/54/533893654.db2.gz NCNMTWXGAXQUAV-YPMHNXCESA-N 0 0 322.361 3.059 10 5 DGBERN C[C@@H](C[C@@H](O)c1cccs1)Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302073975 534201203 /nfs/dbraw/zinc/20/12/03/534201203.db2.gz WZIFGSVLLKQVFX-IINYFYTJSA-N 0 0 322.386 3.073 10 5 DGBERN COc1cc(N2CCCC[C@H](SC)C2)c([N+](=O)[O-])cc1F ZINC000154636965 522632111 /nfs/dbraw/zinc/63/21/11/522632111.db2.gz VOTWTUTVUDVHMD-JTQLQIEISA-N 0 0 314.382 3.464 10 5 DGBERN O=[N+]([O-])c1ccc2c(c1)CN(Cc1ccc(-c3cc[nH]n3)o1)CC2 ZINC000435126942 534883945 /nfs/dbraw/zinc/88/39/45/534883945.db2.gz SLPKOZZTKBDFCI-UHFFFAOYSA-N 0 0 324.340 3.136 10 5 DGBERN CC1(C)CCCC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000467990544 535295101 /nfs/dbraw/zinc/29/51/01/535295101.db2.gz NBEOCXDZYIJEJD-AWEZNQCLSA-N 0 0 304.390 3.470 10 5 DGBERN CC(=O)c1ccc(Nc2cnn3c2CCCC3)c([N+](=O)[O-])c1 ZINC000601231513 547036822 /nfs/dbraw/zinc/03/68/22/547036822.db2.gz GSIWDADRWQDAGQ-UHFFFAOYSA-N 0 0 300.318 3.074 10 5 DGBERN O=C(OCc1ccccc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000735353581 574699565 /nfs/dbraw/zinc/69/95/65/574699565.db2.gz LIEHTXCIELGDPX-UHFFFAOYSA-N 0 0 324.292 3.206 10 5 DGBERN CCCCCCOCC(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000736018627 574727263 /nfs/dbraw/zinc/72/72/63/574727263.db2.gz LEFWLXFVTYJKKL-UHFFFAOYSA-N 0 0 320.389 3.471 10 5 DGBERN Cc1ccc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])nc3)C2)cc1 ZINC000742420496 574998879 /nfs/dbraw/zinc/99/88/79/574998879.db2.gz INIGDDBFLNVENQ-OAHLLOKOSA-N 0 0 312.373 3.379 10 5 DGBERN O=C(OCC(F)(F)F)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000154910857 620738333 /nfs/dbraw/zinc/73/83/33/620738333.db2.gz BLRYQNUNANZPRA-UHFFFAOYSA-N 0 0 317.141 3.333 10 5 DGBERN Cc1ccc(C(=O)N(C)Cc2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000023890691 617828029 /nfs/dbraw/zinc/82/80/29/617828029.db2.gz OHOCEOPLJNXXRN-UHFFFAOYSA-N 0 0 319.748 3.224 10 5 DGBERN CN(Cc1ccc(F)cc1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000137647429 619093148 /nfs/dbraw/zinc/09/31/48/619093148.db2.gz XYSYQMZAAWHVLA-UHFFFAOYSA-N 0 0 300.293 3.018 10 5 DGBERN CC[C@@H](OC1CCCC1)C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000151187514 620428859 /nfs/dbraw/zinc/42/88/59/620428859.db2.gz VODPCNFCAILTTL-MRXNPFEDSA-N 0 0 321.373 3.418 10 5 DGBERN CCCc1ncc(C(=O)OCCc2ccccc2[N+](=O)[O-])s1 ZINC000151269712 620434995 /nfs/dbraw/zinc/43/49/95/620434995.db2.gz QUXDXJQBEYSSRS-UHFFFAOYSA-N 0 0 320.370 3.403 10 5 DGBERN Cc1cc(OC[C@H](O)c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000153621115 620586815 /nfs/dbraw/zinc/58/68/15/620586815.db2.gz IBBFFHYVTMUCCV-HNNXBMFYSA-N 0 0 309.268 3.294 10 5 DGBERN O=[N+]([O-])c1cc(F)ccc1OC[C@H](O)c1cc(F)ccc1F ZINC000153894408 620621421 /nfs/dbraw/zinc/62/14/21/620621421.db2.gz FFUDBLCDDKERBR-ZDUSSCGKSA-N 0 0 313.231 3.125 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1OC[C@@H](O)c1cc(F)ccc1F ZINC000154011434 620631535 /nfs/dbraw/zinc/63/15/35/620631535.db2.gz XPSFNWIRJFYQPG-CQSZACIVSA-N 0 0 309.268 3.294 10 5 DGBERN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1ccco1 ZINC000119647842 621711510 /nfs/dbraw/zinc/71/15/10/621711510.db2.gz ZSAYKXOJYHYVDU-UHFFFAOYSA-N 0 0 311.091 3.203 10 5 DGBERN CCc1noc(C)c1NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000120916566 622047741 /nfs/dbraw/zinc/04/77/41/622047741.db2.gz MSDBAFFRQSQZPX-UHFFFAOYSA-N 0 0 307.281 3.153 10 5 DGBERN C[C@H](OC(=O)c1cnn2c1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000125670990 623510110 /nfs/dbraw/zinc/51/01/10/623510110.db2.gz OUEHSCPQRYIPDE-NSHDSACASA-N 0 0 315.329 3.046 10 5 DGBERN CC(=O)[C@H](C)CCCCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000126129044 623694617 /nfs/dbraw/zinc/69/46/17/623694617.db2.gz GEKHJOSFJWFSCU-GFCCVEGCSA-N 0 0 307.346 3.424 10 5 DGBERN Cc1ccc(OC(=O)CCOCc2ccccc2)cc1[N+](=O)[O-] ZINC000131863816 626685068 /nfs/dbraw/zinc/68/50/68/626685068.db2.gz LKTCIAQUJHTZNA-UHFFFAOYSA-N 0 0 315.325 3.416 10 5 DGBERN CC(C)(C)[C@@H](O)COc1cc([N+](=O)[O-])ccc1Br ZINC000302392453 627319878 /nfs/dbraw/zinc/31/98/78/627319878.db2.gz NHFIWKFZDCHNHY-NSHDSACASA-N 0 0 318.167 3.143 10 5 DGBERN O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000110442022 632567834 /nfs/dbraw/zinc/56/78/34/632567834.db2.gz TVPKSXJVCNKCIO-JSGCOSHPSA-N 0 0 314.316 3.267 10 5 DGBERN O=[N+]([O-])c1cnc2ccccc2c1NC[C@H]1CSCCS1 ZINC000229620029 660608932 /nfs/dbraw/zinc/60/89/32/660608932.db2.gz JMFHSGSYPBRVKE-JTQLQIEISA-N 0 0 321.427 3.404 10 5 DGBERN O=C(NCC[C@@H]1CC1(F)F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000701990266 660696555 /nfs/dbraw/zinc/69/65/55/660696555.db2.gz BUJZXFJOASNRLN-SSDOTTSWSA-N 0 0 304.680 3.023 10 5 DGBERN C[C@@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC1 ZINC000083149419 655585156 /nfs/dbraw/zinc/58/51/56/655585156.db2.gz RJQFCLHMGWILNQ-LLVKDONJSA-N 0 0 315.329 3.126 10 5 DGBERN O=c1c2ccsc2ccn1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000166438648 655797237 /nfs/dbraw/zinc/79/72/37/655797237.db2.gz GJZGIPZOAPTEDC-UHFFFAOYSA-N 0 0 304.302 3.159 10 5 DGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000062514748 655920548 /nfs/dbraw/zinc/92/05/48/655920548.db2.gz GWOWRHDRRMFYTL-DLBZAZTESA-N 0 0 310.353 3.057 10 5 DGBERN CC[C@@H](NC(=O)/C=C/c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000177791059 655947024 /nfs/dbraw/zinc/94/70/24/655947024.db2.gz UPYYJELNDKGRMR-ROJDOSBLSA-N 0 0 311.341 3.271 10 5 DGBERN O=C(NC/C=C\c1ccccc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000255898064 655960058 /nfs/dbraw/zinc/96/00/58/655960058.db2.gz CXAZBXLPJRHJRX-DAXSKMNVSA-N 0 0 300.289 3.177 10 5 DGBERN COCc1ccc(C(=O)O[C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000098161172 657972377 /nfs/dbraw/zinc/97/23/77/657972377.db2.gz ZKTQQCNSSYVRCI-SNVBAGLBSA-N 0 0 305.286 3.252 10 5 DGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccs1 ZINC000014602870 657985653 /nfs/dbraw/zinc/98/56/53/657985653.db2.gz JPMLPXRTVIEZQQ-MRVPVSSYSA-N 0 0 321.314 3.056 10 5 DGBERN C[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000165078325 658963337 /nfs/dbraw/zinc/96/33/37/658963337.db2.gz WOCRCNSQYXPCHH-SECBINFHSA-N 0 0 312.753 3.249 10 5 DGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC/C=C/c1ccccc1 ZINC000171994164 659309773 /nfs/dbraw/zinc/30/97/73/659309773.db2.gz ROYMJHHGGAPMJR-NJPWYCGFSA-N 0 0 308.337 3.438 10 5 DGBERN CCOCCCCOC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000174561387 659438797 /nfs/dbraw/zinc/43/87/97/659438797.db2.gz MRBGQHHBTLPFNQ-UHFFFAOYSA-N 0 0 301.726 3.222 10 5 DGBERN CO[C@@H](C)CCOC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000174834749 659860952 /nfs/dbraw/zinc/86/09/52/659860952.db2.gz ZMDQVFUUXDEZPF-QWRGUYRKSA-N 0 0 313.375 3.044 10 5 DGBERN O=C(N[C@H]1C[C@H]1c1ccccc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000069286729 659985441 /nfs/dbraw/zinc/98/54/41/659985441.db2.gz IRNCIPPCMOATGU-JSGCOSHPSA-N 0 0 300.289 3.020 10 5 DGBERN C[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000182278433 660040049 /nfs/dbraw/zinc/04/00/49/660040049.db2.gz OIGWHLPDNQPQOG-SNVBAGLBSA-N 0 0 318.304 3.313 10 5 DGBERN C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CCOC1 ZINC000079187734 662103190 /nfs/dbraw/zinc/10/31/90/662103190.db2.gz GNGGUNRLKPSQHN-UWVGGRQHSA-N 0 0 321.354 3.391 10 5 DGBERN O=[N+]([O-])c1c(NCc2cnc(Cl)s2)nc2sccn21 ZINC000718153119 662233417 /nfs/dbraw/zinc/23/34/17/662233417.db2.gz LHZCMEAVFPKPCK-UHFFFAOYSA-N 0 0 315.767 3.026 10 5 DGBERN C[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000719025061 662266867 /nfs/dbraw/zinc/26/68/67/662266867.db2.gz SQBVUZDUABBXHJ-ZETCQYMHSA-N 0 0 314.135 3.313 10 5 DGBERN O=C(NCC=C(Cl)Cl)c1cc([N+](=O)[O-])ccc1Cl ZINC000407137581 1176734471 /nfs/dbraw/zinc/73/44/71/1176734471.db2.gz UQUKTDQWKBMYAP-UHFFFAOYSA-N 0 0 309.536 3.297 10 5 DGBERN CCc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Cl)n1 ZINC000130408666 1200955818 /nfs/dbraw/zinc/95/58/18/1200955818.db2.gz FXBKNRWVMVEVOB-UHFFFAOYSA-N 0 0 305.721 3.458 10 5 DGBERN O=C(N[C@H](CC1CCCCC1)c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000247415133 1203774268 /nfs/dbraw/zinc/77/42/68/1203774268.db2.gz QCVDPEREVWDEHX-BRWVUGGUSA-N 0 0 316.401 3.480 10 5 DGBERN O=[N+]([O-])c1cccc(Cn2cc(C3CC3)cn2)c1Br ZINC000402093199 1081595797 /nfs/dbraw/zinc/59/57/97/1081595797.db2.gz MQOWHDFZIJMRLZ-UHFFFAOYSA-N 0 0 322.162 3.480 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCS1 ZINC000588440253 1082285035 /nfs/dbraw/zinc/28/50/35/1082285035.db2.gz NARAIGMWVNKPHT-FPAJZGIOSA-N 0 0 306.387 3.010 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(C)s1 ZINC000588435526 1087447933 /nfs/dbraw/zinc/44/79/33/1087447933.db2.gz AJECVXRLMRYLGM-CLFYSBASSA-N 0 0 303.343 3.402 10 5 DGBERN C[C@H]1C[C@@H](O)CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000401482515 1093951682 /nfs/dbraw/zinc/95/16/82/1093951682.db2.gz ASZMLXJEHDGKRM-IONNQARKSA-N 0 0 305.161 3.109 10 5 DGBERN CC(=O)c1ccc(NCC2(CO)CC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000278570404 214244469 /nfs/dbraw/zinc/24/44/69/214244469.db2.gz BQLAOPSPLTVGAZ-UHFFFAOYSA-N 0 0 318.373 3.152 10 5 DGBERN CC[C@@H](NC(=O)c1ccc(O)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000181253218 529670312 /nfs/dbraw/zinc/67/03/12/529670312.db2.gz BEDSSPOXTCEUIL-OAHLLOKOSA-N 0 0 318.304 3.321 10 5 DGBERN CSCCCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000129619113 432006944 /nfs/dbraw/zinc/00/69/44/432006944.db2.gz PBPDDHWRHFSIAS-UHFFFAOYSA-N 0 0 308.403 3.229 10 5 DGBERN CCCc1nc(CN[C@H](CC)c2cccc([N+](=O)[O-])c2)no1 ZINC000181537855 199313771 /nfs/dbraw/zinc/31/37/71/199313771.db2.gz KBFIZXCDFXFZIH-CYBMUJFWSA-N 0 0 304.350 3.171 10 5 DGBERN Cc1ccc([C@@H](C)NCc2nnc(C(C)C)n2C)cc1[N+](=O)[O-] ZINC000181836948 199359864 /nfs/dbraw/zinc/35/98/64/199359864.db2.gz UJIHYSIBQONPSH-GFCCVEGCSA-N 0 0 317.393 3.006 10 5 DGBERN O=C(Cc1cnc2ccccc2c1)NCc1cccc([N+](=O)[O-])c1 ZINC000130179406 432016765 /nfs/dbraw/zinc/01/67/65/432016765.db2.gz GBMLSFCEIQZVCF-UHFFFAOYSA-N 0 0 321.336 3.002 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1-c1nc(-c2cccc(F)c2)n[nH]1 ZINC000072237800 191081375 /nfs/dbraw/zinc/08/13/75/191081375.db2.gz BDTIMYRFTVIDPZ-UHFFFAOYSA-N 0 0 314.276 3.195 10 5 DGBERN Cc1cccc(-c2nnc(COc3cccc([N+](=O)[O-])c3)[nH]2)c1 ZINC000072236782 191080010 /nfs/dbraw/zinc/08/00/10/191080010.db2.gz JTJVXEMAHYGHDE-UHFFFAOYSA-N 0 0 310.313 3.267 10 5 DGBERN Cc1cnc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000177871076 186196573 /nfs/dbraw/zinc/19/65/73/186196573.db2.gz BAYXIEYBLIUELX-JTQLQIEISA-N 0 0 305.359 3.159 10 5 DGBERN Cc1ccccc1SCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067071900 432026403 /nfs/dbraw/zinc/02/64/03/432026403.db2.gz HCUOFHBDGVPIPU-UHFFFAOYSA-N 0 0 316.382 3.312 10 5 DGBERN COC(=O)c1cnc(N[C@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC000302758924 186742212 /nfs/dbraw/zinc/74/22/12/186742212.db2.gz JOEDJLLOOARBSC-MRVPVSSYSA-N 0 0 307.331 3.011 10 5 DGBERN CC[C@@H](NC(=O)N[C@H](C)CSC)c1cccc([N+](=O)[O-])c1 ZINC000176265758 198565996 /nfs/dbraw/zinc/56/59/96/198565996.db2.gz KUUYGKQPVXRAAW-ZWNOBZJWSA-N 0 0 311.407 3.097 10 5 DGBERN CC[C@@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])c1nccs1 ZINC000131457338 432039253 /nfs/dbraw/zinc/03/92/53/432039253.db2.gz KJRKKFQISHAEDY-LLVKDONJSA-N 0 0 305.359 3.241 10 5 DGBERN Cc1csc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000067857483 432043743 /nfs/dbraw/zinc/04/37/43/432043743.db2.gz TVOLTOSZZCHCIR-JTQLQIEISA-N 0 0 305.359 3.159 10 5 DGBERN Cc1cccc(Cn2nc(-c3ccc([N+](=O)[O-])cc3)ccc2=O)c1 ZINC000005400403 181239636 /nfs/dbraw/zinc/23/96/36/181239636.db2.gz AFUZVBRPVFZXOR-UHFFFAOYSA-N 0 0 321.336 3.175 10 5 DGBERN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c([N+](=O)[O-])c1 ZINC000005542875 181255203 /nfs/dbraw/zinc/25/52/03/181255203.db2.gz MDJWABLCQPHDAX-UHFFFAOYSA-N 0 0 315.285 3.372 10 5 DGBERN CC[C@@H](NC(=O)c1csnc1C)c1cccc([N+](=O)[O-])c1 ZINC000179700267 199073769 /nfs/dbraw/zinc/07/37/69/199073769.db2.gz SZIVZDKLSURRKI-CYBMUJFWSA-N 0 0 305.359 3.241 10 5 DGBERN Cc1cccc(C(=O)Nc2cccc(-c3ncon3)c2)c1[N+](=O)[O-] ZINC000170632476 432074412 /nfs/dbraw/zinc/07/44/12/432074412.db2.gz HHGBZURJPYLKHZ-UHFFFAOYSA-N 0 0 324.296 3.206 10 5 DGBERN Cc1nc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cs1 ZINC000187013477 200047638 /nfs/dbraw/zinc/04/76/38/200047638.db2.gz UTMHCNBFAPCVEO-SNVBAGLBSA-N 0 0 323.399 3.399 10 5 DGBERN Cc1nn(C)c(C(=O)Nc2cccc(C(C)(F)F)c2)c1[N+](=O)[O-] ZINC000187368639 200102244 /nfs/dbraw/zinc/10/22/44/200102244.db2.gz DIGVHJQAWZMPBI-UHFFFAOYSA-N 0 0 324.287 3.001 10 5 DGBERN CCOc1cc(C(=O)N2CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000187287237 200088964 /nfs/dbraw/zinc/08/89/64/200088964.db2.gz HYGQFANLPHKELK-UHFFFAOYSA-N 0 0 322.361 3.017 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@@H]2Cc3ccccc3[C@H]2O)c2ccncc21 ZINC000170982138 432090996 /nfs/dbraw/zinc/09/09/96/432090996.db2.gz DCIWFOPMIMXPIC-SJLPKXTDSA-N 0 0 321.336 3.213 10 5 DGBERN C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccncc1 ZINC000006125074 181314664 /nfs/dbraw/zinc/31/46/64/181314664.db2.gz PPDSCRVLJRWSDZ-VIFPVBQESA-N 0 0 305.721 3.134 10 5 DGBERN Cc1ccc(CN(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000193613034 201085669 /nfs/dbraw/zinc/08/56/69/201085669.db2.gz WGWGGRAMLXUAKI-UHFFFAOYSA-N 0 0 305.290 3.036 10 5 DGBERN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C(C)C)cs2)c1 ZINC000067541829 283701328 /nfs/dbraw/zinc/70/13/28/283701328.db2.gz QEDVHZLYBXMAGP-UHFFFAOYSA-N 0 0 321.358 3.436 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1c2ccccc2OC[C@H]1C ZINC000072531946 283749718 /nfs/dbraw/zinc/74/97/18/283749718.db2.gz XZMWQGASJHWKFO-GFCCVEGCSA-N 0 0 312.325 3.331 10 5 DGBERN Cc1nc(N2CCC[C@H]2Cc2cccc(F)c2)ncc1[N+](=O)[O-] ZINC000450264638 240625996 /nfs/dbraw/zinc/62/59/96/240625996.db2.gz USURMRXNUHNKBS-AWEZNQCLSA-N 0 0 316.336 3.044 10 5 DGBERN Cc1n[nH]c2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)ccc12 ZINC000091826962 193112905 /nfs/dbraw/zinc/11/29/05/193112905.db2.gz VTFGEUCIFLITSN-UHFFFAOYSA-N 0 0 324.340 3.269 10 5 DGBERN Cc1n[nH]c2cc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc12 ZINC000091827735 193113409 /nfs/dbraw/zinc/11/34/09/193113409.db2.gz NWBQFXUCCLWKMJ-UHFFFAOYSA-N 0 0 310.313 3.340 10 5 DGBERN Cc1n[nH]c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3C)ccc12 ZINC000091835356 193115478 /nfs/dbraw/zinc/11/54/78/193115478.db2.gz FFIWQINOJVVARH-UHFFFAOYSA-N 0 0 310.313 3.340 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C1C[C@@H](C)O[C@H](C)C1 ZINC000091848413 193117105 /nfs/dbraw/zinc/11/71/05/193117105.db2.gz HWUVRHJOKFFTEW-GHMZBOCLSA-N 0 0 306.362 3.354 10 5 DGBERN Cn1c(COc2c(Cl)cccc2[N+](=O)[O-])nnc1C1CCC1 ZINC000181127918 432115430 /nfs/dbraw/zinc/11/54/30/432115430.db2.gz FTHYHHDEUFLUSX-UHFFFAOYSA-N 0 0 322.752 3.223 10 5 DGBERN Cc1cccc(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)n1 ZINC000094020886 284015536 /nfs/dbraw/zinc/01/55/36/284015536.db2.gz RCOIDIPRBXIVAZ-UHFFFAOYSA-N 0 0 313.357 3.153 10 5 DGBERN CC(C)CCO[C@@H](C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103375447 284028867 /nfs/dbraw/zinc/02/88/67/284028867.db2.gz TWAWCEXUZZZDQY-STQMWFEESA-N 0 0 320.389 3.324 10 5 DGBERN C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C)O1 ZINC000127036483 284325314 /nfs/dbraw/zinc/32/53/14/284325314.db2.gz HKNPKZAZBMZJGY-CHWSQXEVSA-N 0 0 316.357 3.464 10 5 DGBERN CNc1ccc(C(=O)N[C@@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000017842014 182087010 /nfs/dbraw/zinc/08/70/10/182087010.db2.gz DYZOSLQHDIGQRW-VIFPVBQESA-N 0 0 305.359 3.189 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000160228029 197394230 /nfs/dbraw/zinc/39/42/30/197394230.db2.gz YZZJAPUQSVPQJD-ZDUSSCGKSA-N 0 0 318.373 3.125 10 5 DGBERN CC(C)[C@@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000135045554 284458914 /nfs/dbraw/zinc/45/89/14/284458914.db2.gz WLZOPAVECURWRN-SECBINFHSA-N 0 0 314.183 3.235 10 5 DGBERN CCC[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000267723766 206242043 /nfs/dbraw/zinc/24/20/43/206242043.db2.gz VCWBSKAFNSCKHJ-MFKMUULPSA-N 0 0 305.334 3.152 10 5 DGBERN CC[C@@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000138489705 284524887 /nfs/dbraw/zinc/52/48/87/284524887.db2.gz CAZRXKVMUYXRCE-CYBMUJFWSA-N 0 0 316.361 3.001 10 5 DGBERN Cc1ccc(NC(=O)C2=Cc3ccccc3OC2)c([N+](=O)[O-])c1 ZINC000040180027 183044957 /nfs/dbraw/zinc/04/49/57/183044957.db2.gz IHXJUVQEKPMCBR-UHFFFAOYSA-N 0 0 310.309 3.318 10 5 DGBERN CCOc1ncnc(NCc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040657104 183114871 /nfs/dbraw/zinc/11/48/71/183114871.db2.gz BVAAAGBESKBLFL-UHFFFAOYSA-N 0 0 308.725 3.049 10 5 DGBERN COc1cccc(Nc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])c1 ZINC000040581487 183105284 /nfs/dbraw/zinc/10/52/84/183105284.db2.gz RLKZUKYZSVHGII-UHFFFAOYSA-N 0 0 317.349 3.347 10 5 DGBERN Cc1cc(Cl)ccc1Nc1ncnc(N(C)C)c1[N+](=O)[O-] ZINC000040590370 183105964 /nfs/dbraw/zinc/10/59/64/183105964.db2.gz WCSSCSIEXJEUGQ-UHFFFAOYSA-N 0 0 307.741 3.156 10 5 DGBERN CCOc1ncnc(Nc2cccc(Cl)c2C)c1[N+](=O)[O-] ZINC000040588533 183106068 /nfs/dbraw/zinc/10/60/68/183106068.db2.gz KEIJOZKHIJCRJU-UHFFFAOYSA-N 0 0 308.725 3.489 10 5 DGBERN CCNc1ncnc(Oc2cccc3cccnc32)c1[N+](=O)[O-] ZINC000040596175 183106924 /nfs/dbraw/zinc/10/69/24/183106924.db2.gz KSXCQBPERRSRQZ-UHFFFAOYSA-N 0 0 311.301 3.157 10 5 DGBERN CCN(CC)c1ncnc(N(CC(C)C)CC(C)C)c1[N+](=O)[O-] ZINC000040607941 183108017 /nfs/dbraw/zinc/10/80/17/183108017.db2.gz VDPQWHBRNAJGRW-UHFFFAOYSA-N 0 0 323.441 3.349 10 5 DGBERN CC(C)CCNc1ncnc(N2CCCCCC2)c1[N+](=O)[O-] ZINC000040610118 183108837 /nfs/dbraw/zinc/10/88/37/183108837.db2.gz KSGLYBOBAGUXDR-UHFFFAOYSA-N 0 0 307.398 3.223 10 5 DGBERN Cc1ccc(Oc2ncnc(N3CCCC3)c2[N+](=O)[O-])cc1 ZINC000040609231 183109053 /nfs/dbraw/zinc/10/90/53/183109053.db2.gz HCATWLMKNMJECC-UHFFFAOYSA-N 0 0 300.318 3.086 10 5 DGBERN COc1cc(C)ccc1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000153608365 284680497 /nfs/dbraw/zinc/68/04/97/284680497.db2.gz JJHHANYWQSLWAL-UHFFFAOYSA-N 0 0 314.341 3.150 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])cc1NCc1nc(-c2ccoc2)no1 ZINC000105606261 194114162 /nfs/dbraw/zinc/11/41/62/194114162.db2.gz OSZWHYYMOPVZMU-UHFFFAOYSA-N 0 0 314.301 3.467 10 5 DGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1ccccc1F ZINC000105712982 194120898 /nfs/dbraw/zinc/12/08/98/194120898.db2.gz ZSBUYIDTWJNFDV-NSHDSACASA-N 0 0 323.345 3.410 10 5 DGBERN Cc1cccc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000110441892 194330481 /nfs/dbraw/zinc/33/04/81/194330481.db2.gz YHXCIYLITKHPRX-HOCLYGCPSA-N 0 0 310.353 3.437 10 5 DGBERN Cc1sc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000110455601 194330867 /nfs/dbraw/zinc/33/08/67/194330867.db2.gz TWRKCZNENUSKDN-STQMWFEESA-N 0 0 316.382 3.498 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]1c1ccco1 ZINC000116041526 194712551 /nfs/dbraw/zinc/71/25/51/194712551.db2.gz RBBMPHIPKJYWAC-ZDUSSCGKSA-N 0 0 304.277 3.304 10 5 DGBERN Cc1sc(C(=O)NCCc2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000087403138 252605503 /nfs/dbraw/zinc/60/55/03/252605503.db2.gz PGDITYGRTKGCSM-UHFFFAOYSA-N 0 0 322.361 3.385 10 5 DGBERN CCc1ccc(C(=O)NCCc2ccsc2)cc1[N+](=O)[O-] ZINC000173297771 252654956 /nfs/dbraw/zinc/65/49/56/252654956.db2.gz NMCJCGMNOCTZEZ-UHFFFAOYSA-N 0 0 304.371 3.191 10 5 DGBERN CC[C@@H](NC(=O)CCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000177808886 252724669 /nfs/dbraw/zinc/72/46/69/252724669.db2.gz AYWXYVOBBWAGKK-MRXNPFEDSA-N 0 0 320.389 3.369 10 5 DGBERN CSCCC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000182285066 252746006 /nfs/dbraw/zinc/74/60/06/252746006.db2.gz YOPYCNBFUPJCGQ-UHFFFAOYSA-N 0 0 319.180 3.049 10 5 DGBERN CSCCCCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000119973384 195073132 /nfs/dbraw/zinc/07/31/32/195073132.db2.gz RIAJZVHTKWFQDW-UHFFFAOYSA-N 0 0 311.407 3.476 10 5 DGBERN O=C(C/C=C\c1ccc(F)cc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000254949312 285114254 /nfs/dbraw/zinc/11/42/54/285114254.db2.gz IWAPTKGXFXNFCS-UPHRSURJSA-N 0 0 314.316 3.454 10 5 DGBERN O=[N+]([O-])c1ccc(CN2CCO[C@@H](c3cccs3)C2)cc1 ZINC000157477987 197190367 /nfs/dbraw/zinc/19/03/67/197190367.db2.gz QAWNHPBHPDJIFB-CQSZACIVSA-N 0 0 304.371 3.230 10 5 DGBERN C[C@@H](Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)c1ccccc1 ZINC000122823385 195506967 /nfs/dbraw/zinc/50/69/67/195506967.db2.gz FRPXXGXPURMRCM-LLVKDONJSA-N 0 0 320.370 3.171 10 5 DGBERN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1noc(C2CC2)n1 ZINC000449296352 533384420 /nfs/dbraw/zinc/38/44/20/533384420.db2.gz AVEPAKMHAWPGDS-XFFZJAGNSA-N 0 0 314.345 3.048 10 5 DGBERN C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000172184172 533644959 /nfs/dbraw/zinc/64/49/59/533644959.db2.gz HIKACUBFKBBZMD-LBPRGKRZSA-N 0 0 305.378 3.015 10 5 DGBERN CO[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[C@H]1C ZINC000276086728 285775531 /nfs/dbraw/zinc/77/55/31/285775531.db2.gz UYHGHBNURBYEDT-BDJLRTHQSA-N 0 0 301.346 3.004 10 5 DGBERN CC(=O)c1cc(N2CCC[C@H](OC(F)F)C2)ccc1[N+](=O)[O-] ZINC000588014254 400180541 /nfs/dbraw/zinc/18/05/41/400180541.db2.gz OLMGDAPSKNEMNG-NSHDSACASA-N 0 0 314.288 3.005 10 5 DGBERN CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1nnc2ccccn21 ZINC000091485462 400123788 /nfs/dbraw/zinc/12/37/88/400123788.db2.gz LQNJTZOUJDAQCE-OAHLLOKOSA-N 0 0 311.345 3.447 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCc2ccccc2C1 ZINC000316266664 400148825 /nfs/dbraw/zinc/14/88/25/400148825.db2.gz GLLFBBSBYFGEIS-AWEZNQCLSA-N 0 0 300.362 3.089 10 5 DGBERN C[C@@H]1CCCN(c2ccc(C(=O)NC3CCC3)cc2[N+](=O)[O-])C1 ZINC000609333237 400160794 /nfs/dbraw/zinc/16/07/94/400160794.db2.gz HJLYNDSNBMOZBH-GFCCVEGCSA-N 0 0 317.389 3.113 10 5 DGBERN Cc1csc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000067861210 400210090 /nfs/dbraw/zinc/21/00/90/400210090.db2.gz ZVFUDJJUXRTNRQ-SSDOTTSWSA-N 0 0 311.388 3.221 10 5 DGBERN Cc1cnc(N2C[C@H](c3ccccc3)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000610516400 400269479 /nfs/dbraw/zinc/26/94/79/400269479.db2.gz MOELRQAKSKHHJR-CZUORRHYSA-N 0 0 313.357 3.265 10 5 DGBERN C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccncc1 ZINC000610526416 400271826 /nfs/dbraw/zinc/27/18/26/400271826.db2.gz QRJGYXQMAIBKJH-NSHDSACASA-N 0 0 324.340 3.005 10 5 DGBERN CCc1ccc(C(=O)NC[C@@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000610526088 400271978 /nfs/dbraw/zinc/27/19/78/400271978.db2.gz FEVMGTAOPJWZIN-GFCCVEGCSA-N 0 0 313.357 3.086 10 5 DGBERN C[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccncc1 ZINC000610526415 400272072 /nfs/dbraw/zinc/27/20/72/400272072.db2.gz QRJGYXQMAIBKJH-LLVKDONJSA-N 0 0 324.340 3.005 10 5 DGBERN O=[N+]([O-])c1cnc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)c(Br)c1 ZINC000403529646 400293930 /nfs/dbraw/zinc/29/39/30/400293930.db2.gz NTJPLKIRJGQJGE-IWSPIJDZSA-N 0 0 312.167 3.353 10 5 DGBERN C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CCCO1 ZINC000029958656 400319044 /nfs/dbraw/zinc/31/90/44/400319044.db2.gz ISCJSCGYFXMSCK-BXKDBHETSA-N 0 0 320.370 3.107 10 5 DGBERN CCOc1cccc(CCNc2ncc(Cl)cc2[N+](=O)[O-])n1 ZINC000610930128 400325996 /nfs/dbraw/zinc/32/59/96/400325996.db2.gz WJMBEUZHEAQNRF-UHFFFAOYSA-N 0 0 322.752 3.092 10 5 DGBERN Cc1cc(N2CCCC[C@@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000589101214 400258486 /nfs/dbraw/zinc/25/84/86/400258486.db2.gz FQYSLPATAXUAJL-MRXNPFEDSA-N 0 0 300.362 3.368 10 5 DGBERN Cn1cc([C@@H]2CCCCN2c2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000589101253 400258538 /nfs/dbraw/zinc/25/85/38/400258538.db2.gz KSKNYHIFCYYYSU-ZDUSSCGKSA-N 0 0 304.325 3.199 10 5 DGBERN CC(C)(C)OC(=O)N1CC=C(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000114215431 400385438 /nfs/dbraw/zinc/38/54/38/400385438.db2.gz PSMPZLUJGSPPNV-UHFFFAOYSA-N 0 0 305.334 3.014 10 5 DGBERN CCOC(=O)c1oc(-c2ccc([N+](=O)[O-])cc2)cc1N(C)C ZINC000114770222 400390373 /nfs/dbraw/zinc/39/03/73/400390373.db2.gz NMBZFDMFGCNDSP-UHFFFAOYSA-N 0 0 304.302 3.098 10 5 DGBERN CC(C)Cn1nnnc1S[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000030398403 400326877 /nfs/dbraw/zinc/32/68/77/400326877.db2.gz CKMCOCOHPZOMRG-JTQLQIEISA-N 0 0 307.379 3.091 10 5 DGBERN CC(=O)C(C)(C)CCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610945988 400327222 /nfs/dbraw/zinc/32/72/22/400327222.db2.gz CJYGJFUCEZWFIX-UHFFFAOYSA-N 0 0 320.389 3.342 10 5 DGBERN C[C@@H]1C[C@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000611518054 400413708 /nfs/dbraw/zinc/41/37/08/400413708.db2.gz FDITVEIGXRUBFP-ZIAGYGMSSA-N 0 0 304.390 3.374 10 5 DGBERN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000611415527 400397213 /nfs/dbraw/zinc/39/72/13/400397213.db2.gz CLKJBTODBJMZCB-LLVKDONJSA-N 0 0 322.752 3.308 10 5 DGBERN C[C@@H]1CC[C@@]2(CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C2)C1 ZINC000611696436 400438065 /nfs/dbraw/zinc/43/80/65/400438065.db2.gz KZOFZNOPNIYNRK-CXAGYDPISA-N 0 0 317.389 3.045 10 5 DGBERN O=[N+]([O-])c1ccc2ncnc(Nc3cccc(CCCO)c3)c2c1 ZINC000611714360 400440924 /nfs/dbraw/zinc/44/09/24/400440924.db2.gz PFQPCFADHCDGAW-UHFFFAOYSA-N 0 0 324.340 3.207 10 5 DGBERN CC(C)(C)OC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000124036608 400473094 /nfs/dbraw/zinc/47/30/94/400473094.db2.gz DNNMXSXRBJESFN-UHFFFAOYSA-N 0 0 302.124 3.313 10 5 DGBERN CCOc1cccc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000044640599 400498850 /nfs/dbraw/zinc/49/88/50/400498850.db2.gz ZRNXIFXYDNIUIP-UHFFFAOYSA-N 0 0 320.370 3.293 10 5 DGBERN CCCC[C@@H](N[C@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000135240570 400584656 /nfs/dbraw/zinc/58/46/56/400584656.db2.gz FTJWOCCAHFZHBD-HUUCEWRRSA-N 0 0 308.378 3.367 10 5 DGBERN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(F)F ZINC000592671555 400682804 /nfs/dbraw/zinc/68/28/04/400682804.db2.gz HTCXBGHNQPLZOL-ZETCQYMHSA-N 0 0 306.696 3.269 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1(c2ccccc2)CCC1 ZINC000054277678 400816947 /nfs/dbraw/zinc/81/69/47/400816947.db2.gz OXEMVEMTBUGAJE-UHFFFAOYSA-N 0 0 311.341 3.107 10 5 DGBERN COc1ccc(CN2C(=O)CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000167655870 400756759 /nfs/dbraw/zinc/75/67/59/400756759.db2.gz WADZQBPUZWZBNP-UHFFFAOYSA-N 0 0 312.325 3.083 10 5 DGBERN CC(C)(C)OC(=O)Nc1ncc([N+](=O)[O-])cc1Br ZINC000168710056 400757678 /nfs/dbraw/zinc/75/76/78/400757678.db2.gz ZYQVCODBOCMORH-UHFFFAOYSA-N 0 0 318.127 3.099 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000170731561 400772517 /nfs/dbraw/zinc/77/25/17/400772517.db2.gz IBTSOIUACZVOII-UHFFFAOYSA-N 0 0 324.296 3.206 10 5 DGBERN Cc1cn(-c2cccc([N+](=O)[O-])c2)c(=O)n1CCc1ccccc1 ZINC000619571122 400868335 /nfs/dbraw/zinc/86/83/35/400868335.db2.gz NEGZQEZPLKETNR-UHFFFAOYSA-N 0 0 323.352 3.098 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)NCc2ccc([N+](=O)[O-])cc2)o1 ZINC000057006279 400964083 /nfs/dbraw/zinc/96/40/83/400964083.db2.gz MDVAOEOMDDWVHM-LLVKDONJSA-N 0 0 303.318 3.057 10 5 DGBERN Cc1ccccc1[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)[C@H](C)CO1 ZINC000359534832 286329254 /nfs/dbraw/zinc/32/92/54/286329254.db2.gz SNEGHYROPOIJFE-CJNGLKHVSA-N 0 0 313.357 3.265 10 5 DGBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2nccnc21 ZINC000362342459 286804043 /nfs/dbraw/zinc/80/40/43/286804043.db2.gz AFKULLFYFOVIJY-UHFFFAOYSA-N 0 0 322.324 3.353 10 5 DGBERN O=[N+]([O-])c1ccc(OC[C@@H](O)C(F)(F)F)c2ccccc21 ZINC000185683423 165012189 /nfs/dbraw/zinc/01/21/89/165012189.db2.gz PCRPWBCREGAFJK-GFCCVEGCSA-N 0 0 301.220 3.050 10 5 DGBERN O=[N+]([O-])c1ccc(NCc2ncc(-c3ccccc3)cn2)nc1 ZINC000185996893 165024486 /nfs/dbraw/zinc/02/44/86/165024486.db2.gz COJFXFHEZNUJPP-UHFFFAOYSA-N 0 0 307.313 3.059 10 5 DGBERN COc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1F ZINC000186027661 165025626 /nfs/dbraw/zinc/02/56/26/165025626.db2.gz YHKRYQJHSWVZMX-UHFFFAOYSA-N 0 0 319.292 3.007 10 5 DGBERN Cc1cc(OCC(=O)Nc2ccccc2F)c(F)cc1[N+](=O)[O-] ZINC000186729563 165056039 /nfs/dbraw/zinc/05/60/39/165056039.db2.gz CULMEMIVNDODJK-UHFFFAOYSA-N 0 0 322.267 3.199 10 5 DGBERN CCc1noc(C)c1NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000189763963 165176152 /nfs/dbraw/zinc/17/61/52/165176152.db2.gz LEMOHTKDJDTWLS-UHFFFAOYSA-N 0 0 319.317 3.023 10 5 DGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000191349642 165244713 /nfs/dbraw/zinc/24/47/13/165244713.db2.gz GBJHRWYICFVEEQ-LBPRGKRZSA-N 0 0 321.377 3.291 10 5 DGBERN O=[N+]([O-])c1cnc(N2CCC[C@H]2C[C@H](O)c2ccccc2)s1 ZINC000192471780 165292223 /nfs/dbraw/zinc/29/22/23/165292223.db2.gz KMNBKTHVBPXMAT-STQMWFEESA-N 0 0 319.386 3.144 10 5 DGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCc2cccnc21 ZINC000193868509 165332377 /nfs/dbraw/zinc/33/23/77/165332377.db2.gz IWVRJBZQIKEXTM-GFCCVEGCSA-N 0 0 315.304 3.188 10 5 DGBERN O=[N+]([O-])c1cnc(N2CCC[C@H]2Cc2cccc(F)c2)s1 ZINC000195509693 165371807 /nfs/dbraw/zinc/37/18/07/165371807.db2.gz PXXPBXLCNSANJB-LBPRGKRZSA-N 0 0 307.350 3.402 10 5 DGBERN CCC1CCC(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000129409028 196046156 /nfs/dbraw/zinc/04/61/56/196046156.db2.gz OATDUGACVSHRCO-UHFFFAOYSA-N 0 0 306.362 3.302 10 5 DGBERN Cc1cccc([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000129526554 196055653 /nfs/dbraw/zinc/05/56/53/196055653.db2.gz KJAYHZPTUZHNOQ-LBPRGKRZSA-N 0 0 313.357 3.140 10 5 DGBERN CC(C)c1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000190674863 432181441 /nfs/dbraw/zinc/18/14/41/432181441.db2.gz OUUBJNHOYLXFPZ-ABAIWWIYSA-N 0 0 306.362 3.016 10 5 DGBERN CC[C@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000138489591 432182605 /nfs/dbraw/zinc/18/26/05/432182605.db2.gz CAZRXKVMUYXRCE-ZDUSSCGKSA-N 0 0 316.361 3.001 10 5 DGBERN CCC(CC)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)C1 ZINC000150930356 432203315 /nfs/dbraw/zinc/20/33/15/432203315.db2.gz LDLVJTALQPVJRK-ZDUSSCGKSA-N 0 0 319.405 3.217 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(Cl)cn1 ZINC000182757066 432226405 /nfs/dbraw/zinc/22/64/05/432226405.db2.gz ZFEXMBYQZAVWFO-UHFFFAOYSA-N 0 0 320.736 3.273 10 5 DGBERN Cc1ccn(-c2ccccc2CNc2nccc(C)c2[N+](=O)[O-])n1 ZINC000132152220 196230141 /nfs/dbraw/zinc/23/01/41/196230141.db2.gz UMEBIUDVOSRFFR-UHFFFAOYSA-N 0 0 323.356 3.404 10 5 DGBERN CCOc1c(F)cccc1C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000133808879 196337430 /nfs/dbraw/zinc/33/74/30/196337430.db2.gz NXFLXROOGJKHBH-UHFFFAOYSA-N 0 0 319.292 3.088 10 5 DGBERN O=[N+]([O-])c1cn(Cc2ncc(-c3ccccc3Cl)o2)cn1 ZINC000150859978 196595555 /nfs/dbraw/zinc/59/55/55/196595555.db2.gz LVXVXGFNWFXZIQ-UHFFFAOYSA-N 0 0 304.693 3.148 10 5 DGBERN COCc1nc(CS[C@@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000182875647 432237956 /nfs/dbraw/zinc/23/79/56/432237956.db2.gz XPULUTBQUKXVOC-VIFPVBQESA-N 0 0 309.347 3.119 10 5 DGBERN Cc1cc(N2CCS[C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000182930071 432243576 /nfs/dbraw/zinc/24/35/76/432243576.db2.gz MQGOCZRLGOWHKJ-NSHDSACASA-N 0 0 303.387 3.393 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C2CC2)C1 ZINC000370323379 271352541 /nfs/dbraw/zinc/35/25/41/271352541.db2.gz GNNZOBYYNVCBQO-HBIYDYFMSA-N 0 0 300.358 3.257 10 5 DGBERN COC(=O)c1cc(N[C@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000247812708 432251594 /nfs/dbraw/zinc/25/15/94/432251594.db2.gz DKVOHCWVEWJUPK-HNNXBMFYSA-N 0 0 312.325 3.481 10 5 DGBERN CC[C@@H](NCc1ncnn1CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000183112093 432260120 /nfs/dbraw/zinc/26/01/20/432260120.db2.gz KNVDGPKBFXOSSH-OAHLLOKOSA-N 0 0 317.393 3.083 10 5 DGBERN O=[N+]([O-])c1cccc2c1ccnc2N1CCC(c2ncc[nH]2)CC1 ZINC000450294610 275039643 /nfs/dbraw/zinc/03/96/43/275039643.db2.gz PNUKPMSVNDOJGA-UHFFFAOYSA-N 0 0 323.356 3.250 10 5 DGBERN CCOC(=O)c1cnc(-c2ccccc2)c([N+](=O)[O-])c1Cl ZINC000136385759 276301155 /nfs/dbraw/zinc/30/11/55/276301155.db2.gz MKPJBYGDPMRACZ-UHFFFAOYSA-N 0 0 306.705 3.487 10 5 DGBERN C[C@@H]1CCC[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@H]1C ZINC000481092992 429722260 /nfs/dbraw/zinc/72/22/60/429722260.db2.gz SMHGYHIWEDTZBL-GRYCIOLGSA-N 0 0 303.366 3.122 10 5 DGBERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000117587941 278108913 /nfs/dbraw/zinc/10/89/13/278108913.db2.gz QTXLAKONZVQVQG-DIFFPNOSSA-N 0 0 324.336 3.049 10 5 DGBERN C[C@@H]1COCC[C@H]1Nc1cc(Br)ccc1[N+](=O)[O-] ZINC000277631104 278855193 /nfs/dbraw/zinc/85/51/93/278855193.db2.gz MZASRBBSISLXCI-PSASIEDQSA-N 0 0 315.167 3.194 10 5 DGBERN Cc1cnn(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000108948897 431162844 /nfs/dbraw/zinc/16/28/44/431162844.db2.gz VGFRVPGOWQQRDP-UHFFFAOYSA-N 0 0 314.267 3.231 10 5 DGBERN Cc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2C)c1 ZINC000001284278 431216165 /nfs/dbraw/zinc/21/61/65/431216165.db2.gz AXFXMOCBOGXPPD-UHFFFAOYSA-N 0 0 300.314 3.229 10 5 DGBERN Cc1cccc([N+](=O)[O-])c1NCCCc1nc(C(C)C)no1 ZINC000112077044 431245376 /nfs/dbraw/zinc/24/53/76/431245376.db2.gz ZMGAGBKOCJLTGR-UHFFFAOYSA-N 0 0 304.350 3.454 10 5 DGBERN O=C(NCCc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000070451372 431252413 /nfs/dbraw/zinc/25/24/13/431252413.db2.gz PHYBHLMITRBHML-UHFFFAOYSA-N 0 0 303.293 3.098 10 5 DGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@]2(CC=CCC2)C1 ZINC000114440143 431386707 /nfs/dbraw/zinc/38/67/07/431386707.db2.gz KBTZGFMBENHDQY-GOSISDBHSA-N 0 0 314.385 3.486 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1c1ccco1 ZINC000116044260 431480259 /nfs/dbraw/zinc/48/02/59/431480259.db2.gz WPAKLMGGBVUTGQ-AWEZNQCLSA-N 0 0 300.314 3.474 10 5 DGBERN O=C(C[C@H]1CCOc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000117578704 431569490 /nfs/dbraw/zinc/56/94/90/431569490.db2.gz ZHTBJTRFNRNTRZ-GFCCVEGCSA-N 0 0 312.325 3.490 10 5 DGBERN O=[N+]([O-])c1ccc(F)cc1N1CCN(c2ccccc2F)CC1 ZINC000302845806 280365185 /nfs/dbraw/zinc/36/51/85/280365185.db2.gz GITHFXAFPDXMIQ-UHFFFAOYSA-N 0 0 319.311 3.200 10 5 DGBERN O=C(NCc1ccccc1OC1CCC1)c1ccc([N+](=O)[O-])o1 ZINC000118265596 431595359 /nfs/dbraw/zinc/59/53/59/431595359.db2.gz NICCYPODJUTHJB-UHFFFAOYSA-N 0 0 316.313 3.049 10 5 DGBERN Cc1oc2ncnc(NC(=O)c3ccc([N+](=O)[O-])s3)c2c1C ZINC000118202215 431590343 /nfs/dbraw/zinc/59/03/43/431590343.db2.gz PEYLFVYTWXMVFW-UHFFFAOYSA-N 0 0 318.314 3.062 10 5 DGBERN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000014575367 431591733 /nfs/dbraw/zinc/59/17/33/431591733.db2.gz HFDONXWYKORPGQ-VIFPVBQESA-N 0 0 306.268 3.364 10 5 DGBERN CCCC[C@@H](COC)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000119597620 431709578 /nfs/dbraw/zinc/70/95/78/431709578.db2.gz SPODDGOFSYPEGN-NSHDSACASA-N 0 0 319.361 3.011 10 5 DGBERN CCCC[C@H](COC)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000119597776 431709869 /nfs/dbraw/zinc/70/98/69/431709869.db2.gz SPODDGOFSYPEGN-LLVKDONJSA-N 0 0 319.361 3.011 10 5 DGBERN C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000121289355 431767620 /nfs/dbraw/zinc/76/76/20/431767620.db2.gz QSRIZSKEIQCQKB-VXGBXAGGSA-N 0 0 313.357 3.404 10 5 DGBERN CCc1noc(CC)c1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000087431433 431855278 /nfs/dbraw/zinc/85/52/78/431855278.db2.gz KWGKFDFTFCRFAT-UHFFFAOYSA-N 0 0 323.374 3.008 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2N)cc1F ZINC000088352708 431857253 /nfs/dbraw/zinc/85/72/53/431857253.db2.gz NZMZRHBPWHOBNC-SNVBAGLBSA-N 0 0 317.320 3.116 10 5 DGBERN Cc1noc(C)c1CC(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084808405 431833359 /nfs/dbraw/zinc/83/33/59/431833359.db2.gz IUCLAFRCXOOXFR-LLVKDONJSA-N 0 0 318.329 3.355 10 5 DGBERN CC(C)[C@H](C)CNc1ncc([N+](=O)[O-])cc1Br ZINC000093434164 431914310 /nfs/dbraw/zinc/91/43/10/431914310.db2.gz QVQORMDGXCWFQK-MRVPVSSYSA-N 0 0 302.172 3.456 10 5 DGBERN O=C(CSc1ccc([N+](=O)[O-])cc1)NCCC1CCCC1 ZINC000044705370 431876690 /nfs/dbraw/zinc/87/66/90/431876690.db2.gz VWXNELHKHXWNJF-UHFFFAOYSA-N 0 0 308.403 3.383 10 5 DGBERN CCN(Cc1ccccc1C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000045488759 431886650 /nfs/dbraw/zinc/88/66/50/431886650.db2.gz KSXFMKYKBBGRSW-UHFFFAOYSA-N 0 0 313.357 3.269 10 5 DGBERN COc1cc(NC[C@]2(C)CCCC[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000127626240 431976984 /nfs/dbraw/zinc/97/69/84/431976984.db2.gz NTZSYWOUTLGSQF-GJZGRUSLSA-N 0 0 312.341 3.096 10 5 DGBERN O=[N+]([O-])c1cc(CN2CCO[C@H](c3ccsc3)C2)cs1 ZINC000125645319 431931724 /nfs/dbraw/zinc/93/17/24/431931724.db2.gz RLYWWMUZJWQKBH-LBPRGKRZSA-N 0 0 310.400 3.291 10 5 DGBERN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H](C)C2 ZINC000181219864 281089118 /nfs/dbraw/zinc/08/91/18/281089118.db2.gz KGIYHVQJNFRLBX-BONVTDFDSA-N 0 0 300.314 3.160 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCCCc1ccncc1 ZINC000102123667 431991630 /nfs/dbraw/zinc/99/16/30/431991630.db2.gz MZCKNJFNQYTTMA-UHFFFAOYSA-N 0 0 300.314 3.088 10 5 DGBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]2CCCC[C@H]21 ZINC000248384367 432284012 /nfs/dbraw/zinc/28/40/12/432284012.db2.gz DPXVBVJTEODQTI-IFUGULHKSA-N 0 0 306.337 3.385 10 5 DGBERN Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000192532895 432384970 /nfs/dbraw/zinc/38/49/70/432384970.db2.gz DCCSDTZYDALHKM-QMMMGPOBSA-N 0 0 309.395 3.484 10 5 DGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCS[C@@H](C)C1 ZINC000184758448 432430643 /nfs/dbraw/zinc/43/06/43/432430643.db2.gz DZTRULGRLFVPJL-GXTWGEPZSA-N 0 0 322.430 3.127 10 5 DGBERN COC(=O)c1cc(F)ccc1COc1c(F)cccc1[N+](=O)[O-] ZINC000185028616 432456958 /nfs/dbraw/zinc/45/69/58/432456958.db2.gz ALKHLKUGUFHFOQ-UHFFFAOYSA-N 0 0 323.251 3.239 10 5 DGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C)CCC1 ZINC000185453827 432503005 /nfs/dbraw/zinc/50/30/05/432503005.db2.gz DRJJMMKCWWMKHD-CQSZACIVSA-N 0 0 304.390 3.470 10 5 DGBERN O=C(NCCc1cc(F)ccc1F)Nc1cccc([N+](=O)[O-])c1 ZINC000176248386 432504750 /nfs/dbraw/zinc/50/47/50/432504750.db2.gz WQSDPLKLXLITFE-UHFFFAOYSA-N 0 0 321.283 3.237 10 5 DGBERN CC(C)[C@@H]1C[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000185516581 432507907 /nfs/dbraw/zinc/50/79/07/432507907.db2.gz PGXHFPSUUTWSIX-HOTGVXAUSA-N 0 0 304.390 3.326 10 5 DGBERN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000193380032 432470813 /nfs/dbraw/zinc/47/08/13/432470813.db2.gz BVFLLWQIGUENDA-MRVPVSSYSA-N 0 0 308.281 3.071 10 5 DGBERN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000177054413 432579394 /nfs/dbraw/zinc/57/93/94/432579394.db2.gz SSJORMJBRZAGMM-VXGBXAGGSA-N 0 0 311.345 3.049 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1c2ccccc2CC[C@@H]1C ZINC000194926543 432587188 /nfs/dbraw/zinc/58/71/88/432587188.db2.gz CRANWBBCDPQHDU-NSHDSACASA-N 0 0 311.341 3.280 10 5 DGBERN O=C(Cc1ccccc1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000194951473 432588767 /nfs/dbraw/zinc/58/87/67/432588767.db2.gz FMRQXMVNWAJKJN-UHFFFAOYSA-N 0 0 322.324 3.166 10 5 DGBERN O=c1cc(C2CC2)nc(SCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000188130932 432707221 /nfs/dbraw/zinc/70/72/21/432707221.db2.gz UVAKUQWXFHHMRV-UHFFFAOYSA-N 0 0 303.343 3.260 10 5 DGBERN CC(=O)N(C)c1cccc(Nc2nc(C)ccc2[N+](=O)[O-])c1 ZINC000178243563 432709920 /nfs/dbraw/zinc/70/99/20/432709920.db2.gz DYFHCVCFEMVOFQ-UHFFFAOYSA-N 0 0 300.318 3.025 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC2(SC)CCC2)c1 ZINC000227988641 432717036 /nfs/dbraw/zinc/71/70/36/432717036.db2.gz GMMSWWTZZAMHPY-UHFFFAOYSA-N 0 0 310.375 3.079 10 5 DGBERN COC(=O)c1csc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000131963169 292666480 /nfs/dbraw/zinc/66/64/80/292666480.db2.gz MVQLDGRUDWCHOP-UHFFFAOYSA-N 0 0 320.326 3.004 10 5 DGBERN C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@H](c2ccc(F)cc2)O1 ZINC000266308896 432756101 /nfs/dbraw/zinc/75/61/01/432756101.db2.gz ZXQAISAETZIQKC-XHDPSFHLSA-N 0 0 317.320 3.095 10 5 DGBERN Cc1c(CC(=O)NC/C=C/c2ccccc2)cccc1[N+](=O)[O-] ZINC000178707068 432768768 /nfs/dbraw/zinc/76/87/68/432768768.db2.gz YXYDDOLBFUBLAD-RMKNXTFCSA-N 0 0 310.353 3.275 10 5 DGBERN CSc1cccc(C(=O)NC[C@@H]2CCC(C)(C)O2)c1[N+](=O)[O-] ZINC000189679078 432810988 /nfs/dbraw/zinc/81/09/88/432810988.db2.gz LQEFIEGLFRYZRT-JTQLQIEISA-N 0 0 324.402 3.004 10 5 DGBERN O=[N+]([O-])c1ccc(Cl)c(CNc2cnc3c(c2)COCC3)c1 ZINC000375052475 433345900 /nfs/dbraw/zinc/34/59/00/433345900.db2.gz YZJALXRPQBJFGJ-UHFFFAOYSA-N 0 0 319.748 3.328 10 5 DGBERN C[C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CCS1 ZINC000292015664 433428515 /nfs/dbraw/zinc/42/85/15/433428515.db2.gz SIJRRVIOKMVSDD-LLVKDONJSA-N 0 0 303.387 3.475 10 5 DGBERN CC(C)(C)[C@@H](O)CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000301238584 433464595 /nfs/dbraw/zinc/46/45/95/433464595.db2.gz NGGGLLOEDMRCHG-NSHDSACASA-N 0 0 317.183 3.176 10 5 DGBERN CC(=O)c1ccc(N(C)Cc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000301253324 433472272 /nfs/dbraw/zinc/47/22/72/433472272.db2.gz APFIEFHDYLDNTH-UHFFFAOYSA-N 0 0 305.359 3.199 10 5 DGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NC/C=C/c1ccccc1 ZINC000301268667 433482177 /nfs/dbraw/zinc/48/21/77/433482177.db2.gz XIKOYEYFAKQSIN-VMPITWQZSA-N 0 0 311.341 3.080 10 5 DGBERN CC(=O)N(C)c1ccccc1NCCc1ccc([N+](=O)[O-])cc1 ZINC000351478056 433519986 /nfs/dbraw/zinc/51/99/86/433519986.db2.gz OOSRQOZBRUQCLU-UHFFFAOYSA-N 0 0 313.357 3.232 10 5 DGBERN CC(C)(C)[C@H](O)CNc1cc(Br)ccc1[N+](=O)[O-] ZINC000301654396 433657936 /nfs/dbraw/zinc/65/79/36/433657936.db2.gz HMCQKZYEJDAGAY-LLVKDONJSA-N 0 0 317.183 3.176 10 5 DGBERN Cc1c([C@H]2CCCN2c2ncc(Cl)cc2[N+](=O)[O-])cnn1C ZINC000301900318 433784464 /nfs/dbraw/zinc/78/44/64/433784464.db2.gz UPUISNOQEIIBFB-GFCCVEGCSA-N 0 0 321.768 3.027 10 5 DGBERN CCC1(CC)CN(c2c(C)cccc2[N+](=O)[O-])CC[S@@]1=O ZINC000302214165 433817047 /nfs/dbraw/zinc/81/70/47/433817047.db2.gz GGSYKWMSNAEKPH-NRFANRHFSA-N 0 0 310.419 3.031 10 5 DGBERN Cc1ccccc1C[C@@H](CO)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000302816909 433869529 /nfs/dbraw/zinc/86/95/29/433869529.db2.gz MEUKDPCMYAGSLM-CYBMUJFWSA-N 0 0 318.348 3.305 10 5 DGBERN CCOc1ccc(C(=O)N2CCC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000377542253 433905547 /nfs/dbraw/zinc/90/55/47/433905547.db2.gz GDWRWYQBLQVDCE-CYBMUJFWSA-N 0 0 304.346 3.008 10 5 DGBERN CCOC(=O)c1ccnc(Oc2ccc(C)c(F)c2)c1[N+](=O)[O-] ZINC000302851426 433883665 /nfs/dbraw/zinc/88/36/65/433883665.db2.gz IXXINFQTLLCNKT-UHFFFAOYSA-N 0 0 320.276 3.406 10 5 DGBERN CCOc1ccc(C(=O)N[C@H](C2CC2)C2CCC2)cc1[N+](=O)[O-] ZINC000457224909 434061831 /nfs/dbraw/zinc/06/18/31/434061831.db2.gz RPDLUQNZTXIBIT-INIZCTEOSA-N 0 0 318.373 3.302 10 5 DGBERN Cn1cc([C@H]2CCCN2c2ccc3ncccc3c2[N+](=O)[O-])cn1 ZINC000174727411 294298512 /nfs/dbraw/zinc/29/85/12/294298512.db2.gz HXXVLLXEHHAFQL-OAHLLOKOSA-N 0 0 323.356 3.218 10 5 DGBERN COC[C@H](c1ccc(Cl)cc1)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000450482265 434217042 /nfs/dbraw/zinc/21/70/42/434217042.db2.gz GJLMUZYYDBZPHP-CQSZACIVSA-N 0 0 321.764 3.467 10 5 DGBERN Cc1cnc(C)c(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000450749867 434385910 /nfs/dbraw/zinc/38/59/10/434385910.db2.gz AHOWKDXIBIOCPK-HNNXBMFYSA-N 0 0 312.373 3.386 10 5 DGBERN CC(C)c1n[nH]c(C(=O)N2CCCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000408414456 434571699 /nfs/dbraw/zinc/57/16/99/434571699.db2.gz GYWLZQIEBIURQJ-UHFFFAOYSA-N 0 0 308.382 3.094 10 5 DGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000184408794 295357063 /nfs/dbraw/zinc/35/70/63/295357063.db2.gz HTFAJDCWIIHICT-QGZVFWFLSA-N 0 0 315.373 3.140 10 5 DGBERN C[C@@H]1C[C@@H](c2ccccc2)CN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000360454290 434612580 /nfs/dbraw/zinc/61/25/80/434612580.db2.gz HUCJCBLFPNSFJF-TZMCWYRMSA-N 0 0 323.356 3.020 10 5 DGBERN C/C(=C\c1ccccc1)CN(C)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000491812046 434865923 /nfs/dbraw/zinc/86/59/23/434865923.db2.gz KVSHBBXTPQVVEV-JLHYYAGUSA-N 0 0 323.356 3.177 10 5 DGBERN COC(=O)c1cc(C)nc(N[C@H]2CC23CCCCC3)c1[N+](=O)[O-] ZINC000557646691 435062015 /nfs/dbraw/zinc/06/20/15/435062015.db2.gz NWEXGQQYMGFDHQ-LBPRGKRZSA-N 0 0 319.361 3.220 10 5 DGBERN COc1cc(OC(F)F)cc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575666428 435040452 /nfs/dbraw/zinc/04/04/52/435040452.db2.gz IQBMZDLVLJPDKM-UHFFFAOYSA-N 0 0 303.139 3.103 10 5 DGBERN CC(=O)c1cc([N+](=O)[O-])cc(OC(F)F)c1OC(F)(F)F ZINC000575669021 435042351 /nfs/dbraw/zinc/04/23/51/435042351.db2.gz XGBIPYAJJCHCFE-UHFFFAOYSA-N 0 0 315.150 3.297 10 5 DGBERN CCOC(=O)Cc1c(CC)ccc([N+](=O)[O-])c1Br ZINC000575698810 435046409 /nfs/dbraw/zinc/04/64/09/435046409.db2.gz APYXEAWIDLIAGX-UHFFFAOYSA-N 0 0 316.151 3.025 10 5 DGBERN CCOC(=O)Cc1cc(CC)cc([N+](=O)[O-])c1Br ZINC000575699249 435046434 /nfs/dbraw/zinc/04/64/34/435046434.db2.gz ILDFXJJSIAQZNP-UHFFFAOYSA-N 0 0 316.151 3.025 10 5 DGBERN CSc1ccc(F)c([N+](=O)[O-])c1I ZINC000575706906 435047892 /nfs/dbraw/zinc/04/78/92/435047892.db2.gz AHTGJLTYXCTERN-UHFFFAOYSA-N 0 0 313.091 3.060 10 5 DGBERN CSc1c(I)cc(F)cc1[N+](=O)[O-] ZINC000575707207 435048843 /nfs/dbraw/zinc/04/88/43/435048843.db2.gz PDYXAUXFIWEDFN-UHFFFAOYSA-N 0 0 313.091 3.060 10 5 DGBERN COc1ccc(F)c(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000558691719 435106721 /nfs/dbraw/zinc/10/67/21/435106721.db2.gz FNWGIFGOARSQGJ-SNVBAGLBSA-N 0 0 318.304 3.485 10 5 DGBERN COc1ccc(CC[C@H](C)Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC000567787456 435355637 /nfs/dbraw/zinc/35/56/37/435355637.db2.gz ZORNECQYHOTZSM-LBPRGKRZSA-N 0 0 301.346 3.432 10 5 DGBERN Cc1cccc(C)c1OC[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000517777903 435612732 /nfs/dbraw/zinc/61/27/32/435612732.db2.gz NFVIHDMSUXDHCT-ZDUSSCGKSA-N 0 0 301.346 3.486 10 5 DGBERN O=[N+]([O-])c1ccc(CO)cc1N1CCC[C@]2(CC=CCC2)C1 ZINC000302056387 304802260 /nfs/dbraw/zinc/80/22/60/304802260.db2.gz QRNQMNRTALRNDX-QGZVFWFLSA-N 0 0 302.374 3.414 10 5 DGBERN CSc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000170850927 312703296 /nfs/dbraw/zinc/70/32/96/312703296.db2.gz HPRSIZDABJTNGG-UHFFFAOYSA-N 0 0 303.343 3.272 10 5 DGBERN CCOc1cc(N2CC[C@@H](C(C)(C)C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000541575941 314024008 /nfs/dbraw/zinc/02/40/08/314024008.db2.gz MLLKRAYUQGSSDS-UKRRQHHQSA-N 0 0 322.405 3.227 10 5 DGBERN CN(C[C@@H]1CC=CCC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000548420701 314445908 /nfs/dbraw/zinc/44/59/08/314445908.db2.gz SSTBJWNWVPDDRZ-CQSZACIVSA-N 0 0 317.389 3.135 10 5 DGBERN COC(=O)c1cc(C)nc(Sc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000561098299 314953372 /nfs/dbraw/zinc/95/33/72/314953372.db2.gz ZYGHINKHXLQSGD-UHFFFAOYSA-N 0 0 322.317 3.375 10 5 DGBERN CCCn1nccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000182655715 323307553 /nfs/dbraw/zinc/30/75/53/323307553.db2.gz WKRZMALNBJFKMK-SNVBAGLBSA-N 0 0 320.324 3.083 10 5 DGBERN CCc1noc(C)c1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185153137 323382527 /nfs/dbraw/zinc/38/25/27/323382527.db2.gz CLVQNGGUAGMYTQ-MRVPVSSYSA-N 0 0 321.308 3.335 10 5 DGBERN CCCN(CC(=O)OC(C)(C)C)Cc1csc([N+](=O)[O-])c1 ZINC000186301366 323403155 /nfs/dbraw/zinc/40/31/55/323403155.db2.gz NOMDVGNOOKWMPP-UHFFFAOYSA-N 0 0 314.407 3.210 10 5 DGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000580619082 324019458 /nfs/dbraw/zinc/01/94/58/324019458.db2.gz BUWHEGFGBVTSAW-VTXSZYRJSA-N 0 0 304.394 3.135 10 5 DGBERN CCC[C@H]1CCCCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000582292663 324213378 /nfs/dbraw/zinc/21/33/78/324213378.db2.gz GOTUVTYEZSRTGO-LBPRGKRZSA-N 0 0 321.377 3.244 10 5 DGBERN O=CN[C@@H](Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000584604315 337371309 /nfs/dbraw/zinc/37/13/09/337371309.db2.gz YIIKWLQEDODGKX-AWEZNQCLSA-N 0 0 304.733 3.278 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(C)cc2)c1 ZINC000302084031 534246339 /nfs/dbraw/zinc/24/63/39/534246339.db2.gz KFRFFFKXYUNTIN-UHFFFAOYSA-N 0 0 300.314 3.302 10 5 DGBERN CCOC(=O)c1cnc2c(Cl)cc([N+](=O)[O-])cc2c1N(C)C ZINC000026463258 521575185 /nfs/dbraw/zinc/57/51/85/521575185.db2.gz KYSQTGRVYYGUGK-UHFFFAOYSA-N 0 0 323.736 3.039 10 5 DGBERN Cc1cc([N+](=O)[O-])cn(Cc2csc(C3CCCC3)n2)c1=O ZINC000155844512 525573914 /nfs/dbraw/zinc/57/39/14/525573914.db2.gz YBSFTEPALCHJRT-UHFFFAOYSA-N 0 0 319.386 3.227 10 5 DGBERN O=[N+]([O-])c1ccc(CO)cc1NCCc1cc2ccccc2[nH]1 ZINC000302032416 534881828 /nfs/dbraw/zinc/88/18/28/534881828.db2.gz KNNBIWKTPCKSRB-UHFFFAOYSA-N 0 0 311.341 3.223 10 5 DGBERN C/C(=C\c1nc(-c2nccc(C)n2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000432694566 527537375 /nfs/dbraw/zinc/53/73/75/527537375.db2.gz WBHWVXMXBRDXMS-MDZDMXLPSA-N 0 0 323.312 3.304 10 5 DGBERN CCCOc1ccc2c(c1)CCN(c1ccc([N+](=O)[O-])nc1)C2 ZINC000434959229 528730734 /nfs/dbraw/zinc/73/07/34/528730734.db2.gz KPHPQSQNAZMIKN-UHFFFAOYSA-N 0 0 313.357 3.341 10 5 DGBERN CCCC[C@@H](CCC)CNC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191663342 528786372 /nfs/dbraw/zinc/78/63/72/528786372.db2.gz KOEGMFIHWSERQL-GFCCVEGCSA-N 0 0 310.398 3.148 10 5 DGBERN CCC(CC)[C@H]1C[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])CCO1 ZINC000302018279 528872654 /nfs/dbraw/zinc/87/26/54/528872654.db2.gz CTNCEMZZSGRBML-RHSMWYFYSA-N 0 0 322.405 3.483 10 5 DGBERN O=C(NCc1ccc(C(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000184591540 546184082 /nfs/dbraw/zinc/18/40/82/546184082.db2.gz AYUBNBZQFYMLEH-UHFFFAOYSA-N 0 0 306.268 3.462 10 5 DGBERN O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000734884644 574681886 /nfs/dbraw/zinc/68/18/86/574681886.db2.gz XUTYKMWPLPMWRG-UHFFFAOYSA-N 0 0 307.689 3.311 10 5 DGBERN Cc1ccc(OC[C@H](O)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000154059052 620636944 /nfs/dbraw/zinc/63/69/44/620636944.db2.gz TUSPXWXVKFYCSK-HNNXBMFYSA-N 0 0 309.268 3.294 10 5 DGBERN Cc1ccc(CN(C)C(=O)c2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000035122129 619155425 /nfs/dbraw/zinc/15/54/25/619155425.db2.gz XVGUNRGVGKDOGQ-UHFFFAOYSA-N 0 0 308.721 3.422 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1C(=O)OCCSC(C)(C)C ZINC000112763499 620851818 /nfs/dbraw/zinc/85/18/18/620851818.db2.gz NHIZDQBMNZOSPB-UHFFFAOYSA-N 0 0 313.375 3.292 10 5 DGBERN CCc1ccc(OC(=O)CC[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000115926877 621163921 /nfs/dbraw/zinc/16/39/21/621163921.db2.gz CBPUGCQIPGNMBO-CYBMUJFWSA-N 0 0 307.346 3.412 10 5 DGBERN CCc1cc(C(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000119047730 621612073 /nfs/dbraw/zinc/61/20/73/621612073.db2.gz RPAAAXZKOUPSPR-JTQLQIEISA-N 0 0 303.318 3.107 10 5 DGBERN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1ccccn1 ZINC000119595494 621700224 /nfs/dbraw/zinc/70/02/24/621700224.db2.gz VUHPJXGGHRCGEJ-UHFFFAOYSA-N 0 0 322.118 3.005 10 5 DGBERN O=Cc1ccc([N+](=O)[O-])c(OCc2nc3cc(F)ccc3o2)c1 ZINC000121919026 622190895 /nfs/dbraw/zinc/19/08/95/622190895.db2.gz CAONRLOKTDWUEO-UHFFFAOYSA-N 0 0 316.244 3.267 10 5 DGBERN COC(=O)/C=C/c1ccc(NCCCCSC)c([N+](=O)[O-])c1 ZINC000123098913 622463539 /nfs/dbraw/zinc/46/35/39/622463539.db2.gz KSRXKOHKFLTKPO-SOFGYWHQSA-N 0 0 324.402 3.336 10 5 DGBERN O=[N+]([O-])c1ccc(Cl)cc1N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000123127459 622469124 /nfs/dbraw/zinc/46/91/24/622469124.db2.gz BFUBCPSEQDCZNE-ABAIWWIYSA-N 0 0 310.781 3.380 10 5 DGBERN Cc1ccc(OC(=O)C[C@@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000131957136 626689204 /nfs/dbraw/zinc/68/92/04/626689204.db2.gz PDMAVGGERQPKHL-LLVKDONJSA-N 0 0 313.400 3.047 10 5 DGBERN Cc1nn(CCC(=O)OC2CCCCCCC2)c(C)c1[N+](=O)[O-] ZINC000102596405 630160528 /nfs/dbraw/zinc/16/05/28/630160528.db2.gz PNVSHSCKQIWSQW-UHFFFAOYSA-N 0 0 323.393 3.454 10 5 DGBERN Cc1cccc(CCCOC(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000073076572 660238869 /nfs/dbraw/zinc/23/88/69/660238869.db2.gz JIADNVIZLAWTLD-UHFFFAOYSA-N 0 0 300.314 3.088 10 5 DGBERN Cc1cccc(CCCOC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000073001546 660235129 /nfs/dbraw/zinc/23/51/29/660235129.db2.gz GMLXKVRZONRTBF-UHFFFAOYSA-N 0 0 314.341 3.396 10 5 DGBERN O=C(NCC[C@H]1CCSC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000704850193 660822734 /nfs/dbraw/zinc/82/27/34/660822734.db2.gz VTQKSGPZAZIGOL-VIFPVBQESA-N 0 0 314.794 3.121 10 5 DGBERN CO[C@H](C)CCOC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000157789936 655669491 /nfs/dbraw/zinc/66/94/91/655669491.db2.gz ZKACUOKTVFAILB-MRVPVSSYSA-N 0 0 321.251 3.195 10 5 DGBERN O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)/C=C\c1ccccc1 ZINC000255301753 655694363 /nfs/dbraw/zinc/69/43/63/655694363.db2.gz ISIWOZAUBYKBHC-HJWRWDBZSA-N 0 0 323.301 3.113 10 5 DGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCOc2ccccc21 ZINC000071499573 655694534 /nfs/dbraw/zinc/69/45/34/655694534.db2.gz JNXCGINUVPEZQG-JXMROGBWSA-N 0 0 310.309 3.034 10 5 DGBERN O=Cc1ccc(OCc2nc(C3CCCC3)no2)c([N+](=O)[O-])c1 ZINC000162030487 655843005 /nfs/dbraw/zinc/84/30/05/655843005.db2.gz LMEZLYFDLZEFQP-UHFFFAOYSA-N 0 0 317.301 3.027 10 5 DGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)OC1(C2CC2)CC1 ZINC000176923819 655868782 /nfs/dbraw/zinc/86/87/82/655868782.db2.gz ATGCNAJOJYUWPL-UHFFFAOYSA-N 0 0 304.346 3.273 10 5 DGBERN O=[N+]([O-])c1ccc(F)cc1CN1CCO[C@H](c2ccsc2)C1 ZINC000176966253 655885169 /nfs/dbraw/zinc/88/51/69/655885169.db2.gz STSGVWHVPUZDTI-HNNXBMFYSA-N 0 0 322.361 3.369 10 5 DGBERN Cc1n[nH]c2cc(NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)ccc12 ZINC000255831674 655908576 /nfs/dbraw/zinc/90/85/76/655908576.db2.gz YQEXVEHZWTVXCY-WTKPLQERSA-N 0 0 322.324 3.431 10 5 DGBERN O=C(Cc1cccc(F)c1F)OCCc1ccccc1[N+](=O)[O-] ZINC000181257943 655976049 /nfs/dbraw/zinc/97/60/49/655976049.db2.gz VKCAIMMTGJSBEA-UHFFFAOYSA-N 0 0 321.279 3.201 10 5 DGBERN O=[N+]([O-])c1cc2c(ncnc2NCC[C@@H]2CCCS2)s1 ZINC000715606642 661213213 /nfs/dbraw/zinc/21/32/13/661213213.db2.gz ZPAIPAATVAZJKN-QMMMGPOBSA-N 0 0 310.404 3.297 10 5 DGBERN Cc1cccc(CCCOC(=O)c2cccc(C)c2[N+](=O)[O-])n1 ZINC000066780799 656048701 /nfs/dbraw/zinc/04/87/01/656048701.db2.gz ULUJEOYVIBKRKA-UHFFFAOYSA-N 0 0 314.341 3.396 10 5 DGBERN O=C(NCC[C@@H]1CCCS1)c1cc([N+](=O)[O-])ccc1Cl ZINC000715972694 661217613 /nfs/dbraw/zinc/21/76/13/661217613.db2.gz JFLABLLIBLWURB-JTQLQIEISA-N 0 0 314.794 3.264 10 5 DGBERN COc1cccc(C(=O)OCCc2ccc([N+](=O)[O-])cc2)c1F ZINC000179172126 658375077 /nfs/dbraw/zinc/37/50/77/658375077.db2.gz OKPDBFOGXNLFGP-UHFFFAOYSA-N 0 0 319.288 3.142 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1C(=O)OCCCC(F)(F)F ZINC000157356897 659051529 /nfs/dbraw/zinc/05/15/29/659051529.db2.gz FYPUCCBFOPHWAP-UHFFFAOYSA-N 0 0 307.224 3.103 10 5 DGBERN Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000172093751 659316488 /nfs/dbraw/zinc/31/64/88/659316488.db2.gz JPAGIFVMROXXCZ-JTQLQIEISA-N 0 0 321.333 3.120 10 5 DGBERN O=[N+]([O-])c1ccc(Cl)cc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000174833512 659859625 /nfs/dbraw/zinc/85/96/25/659859625.db2.gz WHHBXPZLJZVQGI-GJZGRUSLSA-N 0 0 310.781 3.392 10 5 DGBERN C[C@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000182278413 660039946 /nfs/dbraw/zinc/03/99/46/660039946.db2.gz OIGWHLPDNQPQOG-JTQLQIEISA-N 0 0 318.304 3.313 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072068593 660166077 /nfs/dbraw/zinc/16/60/77/660166077.db2.gz CHTMGGHEDYUBFO-UHFFFAOYSA-N 0 0 301.258 3.064 10 5 DGBERN CC[C@H]1CCCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000155616515 661850014 /nfs/dbraw/zinc/85/00/14/661850014.db2.gz SNDCNOHNXGAYCV-LBPRGKRZSA-N 0 0 321.333 3.298 10 5 DGBERN CC[C@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000077942214 662047641 /nfs/dbraw/zinc/04/76/41/662047641.db2.gz PDJFRFYONIAYSC-AWEZNQCLSA-N 0 0 321.308 3.015 10 5 DGBERN C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CCOC1 ZINC000079187731 662103144 /nfs/dbraw/zinc/10/31/44/662103144.db2.gz GNGGUNRLKPSQHN-VHSXEESVSA-N 0 0 321.354 3.391 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1cccc(F)c1 ZINC000194192529 662159854 /nfs/dbraw/zinc/15/98/54/662159854.db2.gz HMTJMINEEWKCSH-SNVBAGLBSA-N 0 0 304.277 3.355 10 5 DGBERN CCc1ccc(C(=O)O[C@H]2CCC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000081809953 662173557 /nfs/dbraw/zinc/17/35/57/662173557.db2.gz BZXGWRIRAFTORV-KGLIPLIRSA-N 0 0 307.346 3.272 10 5 DGBERN O=Cc1ccc([N+](=O)[O-])c(OCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000195083464 662177698 /nfs/dbraw/zinc/17/76/98/662177698.db2.gz SZJRLRWQBPLKBR-UHFFFAOYSA-N 0 0 320.232 3.034 10 5 DGBERN CC(C)(C)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000195134441 662178989 /nfs/dbraw/zinc/17/89/89/662178989.db2.gz JMHRXGUZJRFHNY-UHFFFAOYSA-N 0 0 305.378 3.075 10 5 DGBERN C[C@H](OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC1 ZINC000083149418 662194040 /nfs/dbraw/zinc/19/40/40/662194040.db2.gz RJQFCLHMGWILNQ-NSHDSACASA-N 0 0 315.329 3.126 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1F ZINC000088353493 662230729 /nfs/dbraw/zinc/23/07/29/662230729.db2.gz XMLQYKFJQSMYJZ-JTQLQIEISA-N 0 0 317.320 3.116 10 5 DGBERN O=[N+]([O-])c1ccc(NCc2cnc(Cl)s2)c([N+](=O)[O-])c1 ZINC000718168667 662244767 /nfs/dbraw/zinc/24/47/67/662244767.db2.gz MRTLTLDFXMQYQK-UHFFFAOYSA-N 0 0 314.710 3.225 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000246490587 662261682 /nfs/dbraw/zinc/26/16/82/662261682.db2.gz DLCUGASNHWQIQZ-RRFJBIMHSA-N 0 0 319.357 3.264 10 5 DGBERN C[C@@H]1CCCCCN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000070413544 1195867149 /nfs/dbraw/zinc/86/71/49/1195867149.db2.gz BFJJZKDMKDEMRQ-SECBINFHSA-N 0 0 311.769 3.235 10 5 DGBERN COc1cccc(C(=O)Nc2ccc3cc[nH]c3c2)c1[N+](=O)[O-] ZINC000194838630 1201414372 /nfs/dbraw/zinc/41/43/72/1201414372.db2.gz VHQJZRFEHLXWQB-UHFFFAOYSA-N 0 0 311.297 3.337 10 5 DGBERN COc1cc(NCCCCSC)c([N+](=O)[O-])cc1OC ZINC000229298036 1202547935 /nfs/dbraw/zinc/54/79/35/1202547935.db2.gz GEONLCKTCSSMEN-UHFFFAOYSA-N 0 0 300.380 3.167 10 5 DGBERN CC[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])CC(F)(F)F ZINC000402584210 1082157457 /nfs/dbraw/zinc/15/74/57/1082157457.db2.gz WDJMLRIDZPRLRW-SSDOTTSWSA-N 0 0 311.691 3.456 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc(C)cs1 ZINC000588443884 1082288432 /nfs/dbraw/zinc/28/84/32/1082288432.db2.gz TUORGFHSUWWFJI-YFHOEESVSA-N 0 0 317.370 3.079 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC(F)(F)C(F)F ZINC000588445253 1082289926 /nfs/dbraw/zinc/28/99/26/1082289926.db2.gz XIFLSPJCLAIQTF-VURMDHGXSA-N 0 0 321.226 3.442 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCOCCC(C)C ZINC000588445586 1082291259 /nfs/dbraw/zinc/29/12/59/1082291259.db2.gz TTWCWKSQNPIICQ-OWBHPGMISA-N 0 0 320.389 3.177 10 5 DGBERN COC(C)(C)CCOC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588562360 1082637693 /nfs/dbraw/zinc/63/76/93/1082637693.db2.gz GYWKKEASURXUSG-QXMHVHEDSA-N 0 0 307.346 3.356 10 5 DGBERN Cc1cccc(CNc2ncc([N+](=O)[O-])cc2Br)n1 ZINC000081941433 192344597 /nfs/dbraw/zinc/34/45/97/192344597.db2.gz KKDXLFUHWMCCOI-UHFFFAOYSA-N 0 0 323.150 3.068 10 5 DGBERN Cc1ccc([C@H](C)OC(=O)C[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000087378054 185223012 /nfs/dbraw/zinc/22/30/12/185223012.db2.gz RTHWFSZBZINDHR-GXTWGEPZSA-N 0 0 307.346 3.467 10 5 DGBERN Cc1ccc([C@H](C)OC(=O)C[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000087378049 185223224 /nfs/dbraw/zinc/22/32/24/185223224.db2.gz RTHWFSZBZINDHR-JSGCOSHPSA-N 0 0 307.346 3.467 10 5 DGBERN COc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1 ZINC000103377604 432007869 /nfs/dbraw/zinc/00/78/69/432007869.db2.gz DTJKOSMAJKWGOJ-NSHDSACASA-N 0 0 312.325 3.195 10 5 DGBERN CCc1ccc(OCc2nc(-c3ccoc3)no2)c([N+](=O)[O-])c1 ZINC000115200423 185667328 /nfs/dbraw/zinc/66/73/28/185667328.db2.gz LXEYFOHYFSCLMA-UHFFFAOYSA-N 0 0 315.285 3.379 10 5 DGBERN COc1ccccc1CCN(C)c1cccc(F)c1[N+](=O)[O-] ZINC000301217279 229565127 /nfs/dbraw/zinc/56/51/27/229565127.db2.gz ZXCACJSHTQLXMT-UHFFFAOYSA-N 0 0 304.321 3.421 10 5 DGBERN O=C(NC[C@@H]1C[C@@H]1c1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000130005808 185928080 /nfs/dbraw/zinc/92/80/80/185928080.db2.gz LEVJWEMLKLJVLB-SWLSCSKDSA-N 0 0 314.316 3.267 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1-c1n[nH]c(-c2ccc(C)cc2)n1 ZINC000072237798 191080739 /nfs/dbraw/zinc/08/07/39/191080739.db2.gz VBGKCMATJPYEMO-UHFFFAOYSA-N 0 0 310.313 3.364 10 5 DGBERN O=C(NCc1cccc([N+](=O)[O-])c1)C1(c2ccc(F)cc2)CC1 ZINC000067073664 432026231 /nfs/dbraw/zinc/02/62/31/432026231.db2.gz QRKVPEGJCNGUFT-UHFFFAOYSA-N 0 0 314.316 3.082 10 5 DGBERN C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000172102340 198039949 /nfs/dbraw/zinc/03/99/49/198039949.db2.gz INFDRVCMBIJXEY-GFCCVEGCSA-N 0 0 306.362 3.059 10 5 DGBERN Cc1ccc(Cn2nc(-c3ccc([N+](=O)[O-])cc3)ccc2=O)cc1 ZINC000005400580 181239571 /nfs/dbraw/zinc/23/95/71/181239571.db2.gz PLENUZAWOYVIST-UHFFFAOYSA-N 0 0 321.336 3.175 10 5 DGBERN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C ZINC000005417305 181240660 /nfs/dbraw/zinc/24/06/60/181240660.db2.gz PCQFHIYOYKOCEW-UHFFFAOYSA-N 0 0 315.285 3.372 10 5 DGBERN CCC[NH+](CCC)CCCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166156933 432058352 /nfs/dbraw/zinc/05/83/52/432058352.db2.gz VOSXIJVZCQGTAL-UHFFFAOYSA-N 0 0 323.393 3.141 10 5 DGBERN CC[C@@H](NC(=O)Cc1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000177790524 198777113 /nfs/dbraw/zinc/77/71/13/198777113.db2.gz GRLDEPAOBBGRDI-OAHLLOKOSA-N 0 0 317.345 3.010 10 5 DGBERN CCC(C)(C)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000133378929 432062505 /nfs/dbraw/zinc/06/25/05/432062505.db2.gz TVXUZBQBUHJSIJ-AWEZNQCLSA-N 0 0 305.378 3.339 10 5 DGBERN CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000178036012 198807461 /nfs/dbraw/zinc/80/74/61/198807461.db2.gz LHMWMMPCPYCTFR-ZIAGYGMSSA-N 0 0 308.403 3.307 10 5 DGBERN COc1cc(NCc2ccc([C@@H](C)O)cc2)c([N+](=O)[O-])cc1F ZINC000180428256 199157823 /nfs/dbraw/zinc/15/78/23/199157823.db2.gz NTKFQLOVFUVCSP-SNVBAGLBSA-N 0 0 320.320 3.408 10 5 DGBERN COCc1noc(CS[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000180602592 199183143 /nfs/dbraw/zinc/18/31/43/199183143.db2.gz JOGGXTIOEHKFQP-VIFPVBQESA-N 0 0 309.347 3.119 10 5 DGBERN CC[C@H](N[C@@H](C)c1nccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000188114417 200195571 /nfs/dbraw/zinc/19/55/71/200195571.db2.gz MDMJQSFWVTYBJY-WFASDCNBSA-N 0 0 300.362 3.495 10 5 DGBERN Cn1cnc([N+](=O)[O-])c1N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000435572998 238319315 /nfs/dbraw/zinc/31/93/15/238319315.db2.gz DQQCTDXEJUBNQL-LSDHHAIUSA-N 0 0 308.341 3.450 10 5 DGBERN CSC1(CNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000194527572 201244280 /nfs/dbraw/zinc/24/42/80/201244280.db2.gz ATCJZOMHCWHRGW-PKNBQFBNSA-N 0 0 306.387 3.010 10 5 DGBERN CC[C@H](NC(=O)c1ccc(C)c(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000180846072 432102696 /nfs/dbraw/zinc/10/26/96/432102696.db2.gz YTDUJIRNQXQRTK-HNNXBMFYSA-N 0 0 314.341 3.490 10 5 DGBERN C[C@@H]1CC[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000075288779 283818006 /nfs/dbraw/zinc/81/80/06/283818006.db2.gz KLZLYMKXAAVLPB-GHMZBOCLSA-N 0 0 310.781 3.438 10 5 DGBERN C[C@@H]1C[C@@H]1CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454274637 241908035 /nfs/dbraw/zinc/90/80/35/241908035.db2.gz RCQJVASRYHQGMQ-VHDGCEQUSA-N 0 0 317.389 3.140 10 5 DGBERN COc1cccc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1F ZINC000090459495 283989355 /nfs/dbraw/zinc/98/93/55/283989355.db2.gz FMZHHNMBJMEXBK-UHFFFAOYSA-N 0 0 304.277 3.019 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1cc2ccccc2[nH]1 ZINC000119844266 284153594 /nfs/dbraw/zinc/15/35/94/284153594.db2.gz HNZCKBFLRYEGBN-UHFFFAOYSA-N 0 0 323.352 3.357 10 5 DGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccco2)C1 ZINC000246342287 432122221 /nfs/dbraw/zinc/12/22/21/432122221.db2.gz FJYMBIMUDZZNFP-MLGOLLRUSA-N 0 0 302.330 3.322 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)CCOCC(C)C)cc1[N+](=O)[O-] ZINC000488047613 245139009 /nfs/dbraw/zinc/13/90/09/245139009.db2.gz WLMJJIFQFHFSQU-CYBMUJFWSA-N 0 0 308.378 3.143 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)c1ccc(F)c(F)c1 ZINC000125044773 284268822 /nfs/dbraw/zinc/26/88/22/284268822.db2.gz CDRMSHFIYBRVQX-UHFFFAOYSA-N 0 0 306.268 3.458 10 5 DGBERN CCc1noc(C)c1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000127015988 284323960 /nfs/dbraw/zinc/32/39/60/284323960.db2.gz MAMSAOCDZUOXCK-UHFFFAOYSA-N 0 0 314.301 3.187 10 5 DGBERN CCc1n[nH]c(C(=O)N[C@H](C)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000171368005 432128000 /nfs/dbraw/zinc/12/80/00/432128000.db2.gz CIIOKZJULYBOIV-MRVPVSSYSA-N 0 0 322.752 3.025 10 5 DGBERN C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)NC1CCCCCC1 ZINC000015682996 182012418 /nfs/dbraw/zinc/01/24/18/182012418.db2.gz VCJCCSZAGTWLMS-GFCCVEGCSA-N 0 0 306.362 3.201 10 5 DGBERN CC[C@@H](NC(=O)c1c(O)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000128393244 284373976 /nfs/dbraw/zinc/37/39/76/284373976.db2.gz FNVHFMLMOQFLBH-CYBMUJFWSA-N 0 0 318.304 3.321 10 5 DGBERN O=C(Nc1cccc(O)c1F)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000128397831 284374244 /nfs/dbraw/zinc/37/42/44/284374244.db2.gz AXNKGXNOBGRLRQ-UHFFFAOYSA-N 0 0 315.260 3.173 10 5 DGBERN CCc1cccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000019162044 182105943 /nfs/dbraw/zinc/10/59/43/182105943.db2.gz FLFUDLBSVVRBDP-UHFFFAOYSA-N 0 0 314.341 3.483 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000135222787 284466404 /nfs/dbraw/zinc/46/64/04/284466404.db2.gz IHKLAYNSHPDUCX-HCKVZZMMSA-N 0 0 303.362 3.091 10 5 DGBERN O=[N+]([O-])c1ccc(NC2CCC(O)CC2)cc1C(F)(F)F ZINC000035084463 182751651 /nfs/dbraw/zinc/75/16/51/182751651.db2.gz BMZBLAAHJGEMLV-UHFFFAOYSA-N 0 0 304.268 3.329 10 5 DGBERN Cc1nn(Cc2ccc(Br)c(F)c2)cc1[N+](=O)[O-] ZINC000181811643 432144831 /nfs/dbraw/zinc/14/48/31/432144831.db2.gz XUTNYLAKRQPIKJ-UHFFFAOYSA-N 0 0 314.114 3.050 10 5 DGBERN O=[N+]([O-])c1cccc(-c2cn3cc(Br)cnc3n2)c1 ZINC000039325743 183017076 /nfs/dbraw/zinc/01/70/76/183017076.db2.gz NDXKWWQVZSSAHI-UHFFFAOYSA-N 0 0 319.118 3.067 10 5 DGBERN O=c1[nH]cnc(Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-] ZINC000040659873 183114804 /nfs/dbraw/zinc/11/48/04/183114804.db2.gz YOANGRMIGZCRDC-UHFFFAOYSA-N 0 0 324.296 3.214 10 5 DGBERN CC(C)(C)Nc1ncnc(NCc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000040581878 183104989 /nfs/dbraw/zinc/10/49/89/183104989.db2.gz VCYPLYVBKQXREA-UHFFFAOYSA-N 0 0 319.340 3.346 10 5 DGBERN CCN(c1cccc2ccccc21)c1ncnc(N)c1[N+](=O)[O-] ZINC000040589042 183105722 /nfs/dbraw/zinc/10/57/22/183105722.db2.gz NVOVLKSXEIBFNI-UHFFFAOYSA-N 0 0 309.329 3.278 10 5 DGBERN CCCNc1ncnc(N(CC(C)C)CC(C)C)c1[N+](=O)[O-] ZINC000040596767 183107101 /nfs/dbraw/zinc/10/71/01/183107101.db2.gz MWGRKPBZHRYPRV-UHFFFAOYSA-N 0 0 309.414 3.325 10 5 DGBERN CC(C)Nc1ncnc(Nc2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000040597761 183107563 /nfs/dbraw/zinc/10/75/63/183107563.db2.gz ZRYPUJCIBPMKEU-UHFFFAOYSA-N 0 0 309.276 3.227 10 5 DGBERN Cc1cnn([C@@H]2CCCN(Cc3c(F)cccc3[N+](=O)[O-])C2)c1 ZINC000105901894 194167365 /nfs/dbraw/zinc/16/73/65/194167365.db2.gz XMNQYVIITZZYIM-CYBMUJFWSA-N 0 0 318.352 3.076 10 5 DGBERN Cc1nn(C)c(NCCCCOCc2ccccc2)c1[N+](=O)[O-] ZINC000050933187 183808720 /nfs/dbraw/zinc/80/87/20/183808720.db2.gz BFKFQFKQBCQSFZ-UHFFFAOYSA-N 0 0 318.377 3.046 10 5 DGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cccc2ncccc21 ZINC000065124007 184311319 /nfs/dbraw/zinc/31/13/19/184311319.db2.gz NJOMITXIVGTANB-UHFFFAOYSA-N 0 0 321.336 3.116 10 5 DGBERN CCc1ccc(C(=O)N(C(C)C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000173458833 252657907 /nfs/dbraw/zinc/65/79/07/252657907.db2.gz UHRZWXHDZGYIRS-UHFFFAOYSA-N 0 0 320.389 3.187 10 5 DGBERN O=[N+]([O-])c1ccc(CO)cc1N1CCc2c(Cl)cccc2C1 ZINC000302025520 285116414 /nfs/dbraw/zinc/11/64/14/285116414.db2.gz HPWKCRCGBZDVOE-UHFFFAOYSA-N 0 0 318.760 3.303 10 5 DGBERN O=[N+]([O-])c1ccc2c(c1)C(F)(F)O[C@](F)(C(F)(F)F)O2 ZINC000091252478 285142040 /nfs/dbraw/zinc/14/20/40/285142040.db2.gz IEXPAKCUULBXMM-VIFPVBQESA-N 0 0 303.114 3.239 10 5 DGBERN O=[N+]([O-])c1cccc(Cl)c1CN1CCC(c2ncc[nH]2)CC1 ZINC000493339462 285153228 /nfs/dbraw/zinc/15/32/28/285153228.db2.gz SYHVYJACMXQSTM-UHFFFAOYSA-N 0 0 320.780 3.351 10 5 DGBERN C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000172184179 533169394 /nfs/dbraw/zinc/16/93/94/533169394.db2.gz HIKACUBFKBBZMD-GFCCVEGCSA-N 0 0 305.378 3.015 10 5 DGBERN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CSc1ncccc1[N+](=O)[O-] ZINC000120440917 195166573 /nfs/dbraw/zinc/16/65/73/195166573.db2.gz PHQZVTDWRVJXCV-NEPJUHHUSA-N 0 0 323.418 3.119 10 5 DGBERN CCO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C12CCC2 ZINC000152310150 196804798 /nfs/dbraw/zinc/80/47/98/196804798.db2.gz UTGCIKYOZZFFEL-QWHCGFSZSA-N 0 0 324.402 3.042 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000072064364 184928454 /nfs/dbraw/zinc/92/84/54/184928454.db2.gz YXTZPLJHXOAKGS-UHFFFAOYSA-N 0 0 322.324 3.341 10 5 DGBERN Cc1sc(C(=O)N2CCc3ccc(F)cc3C2)cc1[N+](=O)[O-] ZINC000121814829 195353274 /nfs/dbraw/zinc/35/32/74/195353274.db2.gz LJAQLPGUTQKTRZ-UHFFFAOYSA-N 0 0 320.345 3.302 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(NCCOc2ccc(F)cc2F)n1 ZINC000125022546 195703779 /nfs/dbraw/zinc/70/37/79/195703779.db2.gz MRNJUTCXEXAGHM-UHFFFAOYSA-N 0 0 309.272 3.067 10 5 DGBERN COc1ccc(CCNc2ncc([N+](=O)[O-])s2)c(Cl)c1 ZINC000192490080 533503624 /nfs/dbraw/zinc/50/36/24/533503624.db2.gz UPSAFCQIJORSBY-UHFFFAOYSA-N 0 0 313.766 3.368 10 5 DGBERN C[C@@H](Nc1cc(CO)ccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000302073904 533551968 /nfs/dbraw/zinc/55/19/68/533551968.db2.gz WWFYNMSGPWYCED-BXUZGUMPSA-N 0 0 314.341 3.064 10 5 DGBERN COc1cccc(Cn2nc(C3CC3)c3c2cccc3[N+](=O)[O-])n1 ZINC000616220733 400102637 /nfs/dbraw/zinc/10/26/37/400102637.db2.gz VMXHPGDTXBDPPO-UHFFFAOYSA-N 0 0 324.340 3.274 10 5 DGBERN O=C(Nc1ccc2nccn2c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609619411 400181321 /nfs/dbraw/zinc/18/13/21/400181321.db2.gz KVSWINZERMHCCT-UHFFFAOYSA-N 0 0 316.704 3.148 10 5 DGBERN Cc1cc(NCc2ccnc(OC(C)(C)C)c2)ncc1[N+](=O)[O-] ZINC000091674878 400130706 /nfs/dbraw/zinc/13/07/06/400130706.db2.gz QXNXIDHMXCGHCP-UHFFFAOYSA-N 0 0 316.361 3.483 10 5 DGBERN Cc1c(C(=O)NCCCc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000068177434 400240921 /nfs/dbraw/zinc/24/09/21/400240921.db2.gz DKBVUWPNVCJUDW-UHFFFAOYSA-N 0 0 316.332 3.405 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1 ZINC000092684814 400194837 /nfs/dbraw/zinc/19/48/37/400194837.db2.gz AJVIUNQDXAXVED-UHOFOFEASA-N 0 0 314.316 3.493 10 5 DGBERN O=[N+]([O-])c1cnc(Br)c(SC(F)(F)F)c1 ZINC000396153756 400281391 /nfs/dbraw/zinc/28/13/91/400281391.db2.gz OILYEDXKRDRRRD-UHFFFAOYSA-N 0 0 303.059 3.364 10 5 DGBERN O=[N+]([O-])c1c(F)cc(Br)cc1OC(F)(F)F ZINC000396046472 400281698 /nfs/dbraw/zinc/28/16/98/400281698.db2.gz ANXKLABYANSYPD-UHFFFAOYSA-N 0 0 303.993 3.395 10 5 DGBERN Cc1cc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)[nH]1 ZINC000610620766 400283549 /nfs/dbraw/zinc/28/35/49/400283549.db2.gz SFCFZKVDTMHKQM-LLVKDONJSA-N 0 0 301.346 3.339 10 5 DGBERN COc1ccc(-c2nnc(-c3ccc(F)cc3)[nH]2)cc1[N+](=O)[O-] ZINC000072237705 400376075 /nfs/dbraw/zinc/37/60/75/400376075.db2.gz LJORGGXPMJPEFP-UHFFFAOYSA-N 0 0 314.276 3.195 10 5 DGBERN CO[C@@H](c1ccccc1F)[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000611415330 400397016 /nfs/dbraw/zinc/39/70/16/400397016.db2.gz HSDBLXPWMWYOIY-ZUZCIYMTSA-N 0 0 305.309 3.317 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1OC(C)C ZINC000042919396 400446058 /nfs/dbraw/zinc/44/60/58/400446058.db2.gz HVNZIHIYQXSXSK-UHFFFAOYSA-N 0 0 315.329 3.338 10 5 DGBERN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c2cccnc12 ZINC000043506553 400469551 /nfs/dbraw/zinc/46/95/51/400469551.db2.gz DWZQEMAQJDCECB-UHFFFAOYSA-N 0 0 322.324 3.407 10 5 DGBERN C/C(=C\c1nc(C[C@H]2CCCO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000612002960 400472475 /nfs/dbraw/zinc/47/24/75/400472475.db2.gz UGHYPNWXFNNARF-CFRMROPGSA-N 0 0 315.329 3.260 10 5 DGBERN CSCCCCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000125798691 400485395 /nfs/dbraw/zinc/48/53/95/400485395.db2.gz LMBXUJVTOSNXDI-UHFFFAOYSA-N 0 0 314.432 3.190 10 5 DGBERN CC(=O)N(C)c1cccc(Nc2cc(C)c([N+](=O)[O-])cn2)c1 ZINC000074769626 400534365 /nfs/dbraw/zinc/53/43/65/400534365.db2.gz ZCANTVZQJJXGRI-UHFFFAOYSA-N 0 0 300.318 3.025 10 5 DGBERN O=[N+]([O-])c1ccc(NCCOCC2CCC2)cc1OC(F)F ZINC000613185133 400670086 /nfs/dbraw/zinc/67/00/86/400670086.db2.gz VZMFNXWRMCSRDR-UHFFFAOYSA-N 0 0 316.304 3.425 10 5 DGBERN CC[C@H]1CCCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000155755826 400704810 /nfs/dbraw/zinc/70/48/10/400704810.db2.gz XMSZAISMBRRNHB-ZDUSSCGKSA-N 0 0 306.362 3.155 10 5 DGBERN CCOCc1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000171470285 400799813 /nfs/dbraw/zinc/79/98/13/400799813.db2.gz GXJDDGFBQVJYAM-UHFFFAOYSA-N 0 0 315.329 3.087 10 5 DGBERN CC[C@@H]1CCCCCN1C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000172440187 400827506 /nfs/dbraw/zinc/82/75/06/400827506.db2.gz MTEPKSFYLULRIZ-GFCCVEGCSA-N 0 0 306.362 3.398 10 5 DGBERN CN(c1ccccc1)C1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000078882395 400831414 /nfs/dbraw/zinc/83/14/14/400831414.db2.gz GTWAQAHGOYPMLD-UHFFFAOYSA-N 0 0 312.373 3.095 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)NCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000054645503 400832479 /nfs/dbraw/zinc/83/24/79/400832479.db2.gz GGGTUQRRDZOBEW-LBPRGKRZSA-N 0 0 317.345 3.099 10 5 DGBERN COc1c(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)cccc1[N+](=O)[O-] ZINC000619442451 400849740 /nfs/dbraw/zinc/84/97/40/400849740.db2.gz VJXMUQZPPHNFAV-SJKOYZFVSA-N 0 0 318.373 3.256 10 5 DGBERN O=C(c1ccccc1[N+](=O)[O-])N(C[C@H]1CCCO1)C1CCCC1 ZINC000174543770 400859462 /nfs/dbraw/zinc/85/94/62/400859462.db2.gz IDUYLJMXAYDJPZ-CQSZACIVSA-N 0 0 318.373 3.159 10 5 DGBERN O=C(c1csc([N+](=O)[O-])c1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000174537458 400859687 /nfs/dbraw/zinc/85/96/87/400859687.db2.gz JICGKOLDQZCFPV-ZDUSSCGKSA-N 0 0 324.402 3.220 10 5 DGBERN CC(=O)N(C)c1cccc(Nc2nccc(C)c2[N+](=O)[O-])c1 ZINC000080707564 400984575 /nfs/dbraw/zinc/98/45/75/400984575.db2.gz JSQMIZPMWVAWQC-UHFFFAOYSA-N 0 0 300.318 3.025 10 5 DGBERN CCOc1ccc(CNc2cc(C)c([N+](=O)[O-])cn2)cc1F ZINC000080601163 400966276 /nfs/dbraw/zinc/96/62/76/400966276.db2.gz XACLPYMGFXMAHM-UHFFFAOYSA-N 0 0 305.309 3.448 10 5 DGBERN CC(C)N(C)c1ccc([N+](=O)[O-])c(I)c1 ZINC000232635703 400971848 /nfs/dbraw/zinc/97/18/48/400971848.db2.gz OXFIIIUFJLUWKQ-UHFFFAOYSA-N 0 0 320.130 3.044 10 5 DGBERN Cc1nn(C)c(C)c1C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C ZINC000080650427 400974794 /nfs/dbraw/zinc/97/47/94/400974794.db2.gz QKLCPOUITXDVSV-LLVKDONJSA-N 0 0 302.378 3.297 10 5 DGBERN COc1cc(N2CCC[C@]3(CCCOC3)C2)c(F)cc1[N+](=O)[O-] ZINC000408067543 286229477 /nfs/dbraw/zinc/22/94/77/286229477.db2.gz MEFJJSUMPRSSRK-INIZCTEOSA-N 0 0 324.352 3.140 10 5 DGBERN Cc1ccccc1[C@H]1CN(c2ccc([N+](=O)[O-])nc2)[C@@H](C)CO1 ZINC000359534837 286329323 /nfs/dbraw/zinc/32/93/23/286329323.db2.gz SNEGHYROPOIJFE-XJKSGUPXSA-N 0 0 313.357 3.265 10 5 DGBERN COc1ccc([N+](=O)[O-])c(N2CCC[C@@]3(CCCOC3)C2)c1 ZINC000407987105 286382511 /nfs/dbraw/zinc/38/25/11/286382511.db2.gz OCQYXFONYGAGDV-MRXNPFEDSA-N 0 0 306.362 3.000 10 5 DGBERN O=C(NC[C@@H]1C[C@@H]1c1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000171890916 164641492 /nfs/dbraw/zinc/64/14/92/164641492.db2.gz YTOGRVZQIOFKRL-WCQYABFASA-N 0 0 302.355 3.190 10 5 DGBERN CC(C)NC(=O)c1ccccc1NCc1cccc([N+](=O)[O-])c1 ZINC000172873424 164674820 /nfs/dbraw/zinc/67/48/20/164674820.db2.gz HWXSHLCGTXTABN-UHFFFAOYSA-N 0 0 313.357 3.345 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000177197940 164801897 /nfs/dbraw/zinc/80/18/97/164801897.db2.gz SUZQXMIIXXUUHV-NEPJUHHUSA-N 0 0 313.357 3.220 10 5 DGBERN COc1cccc(NCc2nccn2CC(C)C)c1[N+](=O)[O-] ZINC000185474433 165005780 /nfs/dbraw/zinc/00/57/80/165005780.db2.gz ZAWOKHNSIXFDGZ-UHFFFAOYSA-N 0 0 304.350 3.068 10 5 DGBERN Cc1ccnc(NCc2ncc(-c3ccccc3)cn2)c1[N+](=O)[O-] ZINC000185999521 165024550 /nfs/dbraw/zinc/02/45/50/165024550.db2.gz YGGQRBLLPIDWIW-UHFFFAOYSA-N 0 0 321.340 3.367 10 5 DGBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1csc(C(F)(F)F)n1 ZINC000187908542 165105100 /nfs/dbraw/zinc/10/51/00/165105100.db2.gz VRICNRJCBYLUKH-UHFFFAOYSA-N 0 0 317.248 3.322 10 5 DGBERN O=[N+]([O-])c1ccc(CN2CCC(Nc3nccs3)CC2)cc1 ZINC000189951572 165183885 /nfs/dbraw/zinc/18/38/85/165183885.db2.gz VDPOYYFZTOBFAD-UHFFFAOYSA-N 0 0 318.402 3.128 10 5 DGBERN O=C(NCc1ccc(C2CC2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000191187073 165235145 /nfs/dbraw/zinc/23/51/45/165235145.db2.gz NPJQNDKCSVXNMO-UHFFFAOYSA-N 0 0 302.355 3.464 10 5 DGBERN CC(=O)c1ccc(OC[C@H](O)CC2CCCC2)c([N+](=O)[O-])c1 ZINC000191365298 165245707 /nfs/dbraw/zinc/24/57/07/165245707.db2.gz YVJYRYNLPLYGLL-CQSZACIVSA-N 0 0 307.346 3.117 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1Oc1cccc(-n2cccn2)c1 ZINC000192609969 165298391 /nfs/dbraw/zinc/29/83/91/165298391.db2.gz NSIGYODJJNQJRM-UHFFFAOYSA-N 0 0 313.317 3.098 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nccnc2c1 ZINC000195299521 165364250 /nfs/dbraw/zinc/36/42/50/165364250.db2.gz YWMVTLFKTHOKMQ-UHFFFAOYSA-N 0 0 308.297 3.099 10 5 DGBERN Cn1nccc1C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000195498575 165371537 /nfs/dbraw/zinc/37/15/37/165371537.db2.gz VIVZVGFUYMXNGV-UHFFFAOYSA-N 0 0 320.780 3.366 10 5 DGBERN O=C(NC[C@H]1C[C@@H]1c1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000171890914 432181745 /nfs/dbraw/zinc/18/17/45/432181745.db2.gz YTOGRVZQIOFKRL-DGCLKSJQSA-N 0 0 302.355 3.190 10 5 DGBERN O=C(NC[C@H]1C[C@H]1c1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000171890913 432182773 /nfs/dbraw/zinc/18/27/73/432182773.db2.gz YTOGRVZQIOFKRL-YPMHNXCESA-N 0 0 302.355 3.190 10 5 DGBERN C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000172100624 432195706 /nfs/dbraw/zinc/19/57/06/432195706.db2.gz RLKUWYFHUOPYDQ-LBPRGKRZSA-N 0 0 305.378 3.092 10 5 DGBERN O=[N+]([O-])c1ccc(-c2nnc(CSC3CCOCC3)o2)cc1 ZINC000131087272 196138210 /nfs/dbraw/zinc/13/82/10/196138210.db2.gz AYDFWQNRBVIZQN-UHFFFAOYSA-N 0 0 321.358 3.057 10 5 DGBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1nnc2n1CCCC2 ZINC000131194293 196148858 /nfs/dbraw/zinc/14/88/58/196148858.db2.gz NFARGZQFHLKUFK-VIFPVBQESA-N 0 0 321.768 3.349 10 5 DGBERN Cc1c(NC(=O)NCc2ccc(Cl)cn2)cccc1[N+](=O)[O-] ZINC000182771556 432226620 /nfs/dbraw/zinc/22/66/20/432226620.db2.gz SWFDAPNPROEDFC-UHFFFAOYSA-N 0 0 320.736 3.273 10 5 DGBERN CC[C@@H](C)C(=O)COc1c(Br)cccc1[N+](=O)[O-] ZINC000133761524 196335070 /nfs/dbraw/zinc/33/50/70/196335070.db2.gz FXCGJWQXSFXQCT-MRVPVSSYSA-N 0 0 316.151 3.351 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1ccoc1 ZINC000177123346 228325744 /nfs/dbraw/zinc/32/57/44/228325744.db2.gz BPGBYQVAXCAQIM-NSHDSACASA-N 0 0 300.314 3.098 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1CNc1ncn(-c2ccccc2)n1 ZINC000195048136 228605401 /nfs/dbraw/zinc/60/54/01/228605401.db2.gz RIVNBVQXDBJGAO-UHFFFAOYSA-N 0 0 309.329 3.096 10 5 DGBERN O=[N+]([O-])c1ccc(NCC2(CCO)CC2)nc1-c1ccccc1 ZINC000302457951 230252472 /nfs/dbraw/zinc/25/24/72/230252472.db2.gz QTGRTGSICCOPFL-UHFFFAOYSA-N 0 0 313.357 3.231 10 5 DGBERN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCOCC2(CC2)C1 ZINC000347370623 264208589 /nfs/dbraw/zinc/20/85/89/264208589.db2.gz BEBMARKGHNCQKF-NTEUORMPSA-N 0 0 302.374 3.111 10 5 DGBERN Cc1cc([N+](=O)[O-])cnc1N[C@H](C)COCc1ccccc1 ZINC000172780583 432235813 /nfs/dbraw/zinc/23/58/13/432235813.db2.gz IQKHCNWNYJWOPI-CYBMUJFWSA-N 0 0 301.346 3.315 10 5 DGBERN O=[N+]([O-])c1ccc(-c2nccn2C[C@H](O)C2CCCCC2)cc1 ZINC000191310155 432248055 /nfs/dbraw/zinc/24/80/55/432248055.db2.gz OLMJVPNUSUWUKL-INIZCTEOSA-N 0 0 315.373 3.400 10 5 DGBERN C[C@H]1[C@H](C(F)(F)F)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000359875980 271005428 /nfs/dbraw/zinc/00/54/28/271005428.db2.gz MBIVCYUFTDVFCC-NKWVEPMBSA-N 0 0 320.296 3.081 10 5 DGBERN O=C(Nc1cccc2c1OCCC2)c1csc([N+](=O)[O-])c1 ZINC000370487807 271363931 /nfs/dbraw/zinc/36/39/31/271363931.db2.gz HZKOQSYBZHZVKS-UHFFFAOYSA-N 0 0 304.327 3.234 10 5 DGBERN CCOC(=O)[C@@]1(C)CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000154911614 276290827 /nfs/dbraw/zinc/29/08/27/276290827.db2.gz MAXWQENPDDHKCR-AWEZNQCLSA-N 0 0 312.753 3.028 10 5 DGBERN CCN(C[C@H]1CCCO1)C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000185432718 276352941 /nfs/dbraw/zinc/35/29/41/276352941.db2.gz CKPYQOSZZVMQQB-SICOMBFOSA-N 0 0 318.373 3.026 10 5 DGBERN CC(C)(C)SCC(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000120988717 277221887 /nfs/dbraw/zinc/22/18/87/277221887.db2.gz OUVNWDGZKXUIEK-UHFFFAOYSA-N 0 0 308.403 3.406 10 5 DGBERN CO[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000302575251 277666231 /nfs/dbraw/zinc/66/62/31/277666231.db2.gz RKYGRHSAWQRXGE-TVQRCGJNSA-N 0 0 318.295 3.475 10 5 DGBERN O=[N+]([O-])c1cc2ccccc2nc1NCCOCC1CCC1 ZINC000616061901 430583307 /nfs/dbraw/zinc/58/33/07/430583307.db2.gz REBNXLCPUKJIAK-UHFFFAOYSA-N 0 0 301.346 3.372 10 5 DGBERN C[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@H]1O ZINC000408108606 277913905 /nfs/dbraw/zinc/91/39/05/277913905.db2.gz SLLACYBTRZDUJQ-RDDDGLTNSA-N 0 0 305.161 3.109 10 5 DGBERN O=C(NCCCc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000068178388 431115861 /nfs/dbraw/zinc/11/58/61/431115861.db2.gz JGKPAFDUFMETLC-UHFFFAOYSA-N 0 0 302.305 3.097 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1cccs1 ZINC000103377634 279012896 /nfs/dbraw/zinc/01/28/96/279012896.db2.gz QEEROTKMGGSGDR-SNVBAGLBSA-N 0 0 302.355 3.177 10 5 DGBERN C[C@@H]1[C@H](C(F)(F)F)CCN1c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000480562965 279098777 /nfs/dbraw/zinc/09/87/77/279098777.db2.gz KOMPILOPGCNFIN-PSASIEDQSA-N 0 0 315.295 3.340 10 5 DGBERN CCC(C)(CC)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000112828157 431307953 /nfs/dbraw/zinc/30/79/53/431307953.db2.gz WQKGQJZNKCRXBC-UHFFFAOYSA-N 0 0 309.322 3.120 10 5 DGBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1coc(Br)c1 ZINC000074354786 431416496 /nfs/dbraw/zinc/41/64/96/431416496.db2.gz YPTONPRCBJTUJW-UHFFFAOYSA-N 0 0 311.091 3.203 10 5 DGBERN Cc1nc(CN(C)Cc2ccccc2[N+](=O)[O-])nc2ccccc12 ZINC000073616242 431374305 /nfs/dbraw/zinc/37/43/05/431374305.db2.gz GDQNXXUDPOTPNP-UHFFFAOYSA-N 0 0 322.368 3.478 10 5 DGBERN Nc1ccc(C(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1[N+](=O)[O-] ZINC000114437481 431388567 /nfs/dbraw/zinc/38/85/67/431388567.db2.gz DFNHQDNETKNVHO-KRWDZBQOSA-N 0 0 315.373 3.140 10 5 DGBERN Cc1cccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)c1C ZINC000115288139 431446818 /nfs/dbraw/zinc/44/68/18/431446818.db2.gz OQLSBSJLNKTLEB-CYBMUJFWSA-N 0 0 313.357 3.406 10 5 DGBERN Cc1cc(C(=O)N2CCC[C@H]2c2ccco2)cc([N+](=O)[O-])c1 ZINC000116045834 431483377 /nfs/dbraw/zinc/48/33/77/431483377.db2.gz XCNDFMKHMOBHMZ-AWEZNQCLSA-N 0 0 300.314 3.474 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cn2ccnc2s1 ZINC000188171227 280401255 /nfs/dbraw/zinc/40/12/55/280401255.db2.gz QYCWJESDABMURS-UHFFFAOYSA-N 0 0 316.342 3.173 10 5 DGBERN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000014575366 431591995 /nfs/dbraw/zinc/59/19/95/431591995.db2.gz HFDONXWYKORPGQ-SECBINFHSA-N 0 0 306.268 3.364 10 5 DGBERN Cc1cccc(NC(=O)COc2cc(C)ccc2[N+](=O)[O-])c1 ZINC000021614036 431629990 /nfs/dbraw/zinc/62/99/90/431629990.db2.gz IJWRIXYUSOPMFF-UHFFFAOYSA-N 0 0 300.314 3.229 10 5 DGBERN O=C(N[C@@H]1COc2ccccc21)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000119574615 431710205 /nfs/dbraw/zinc/71/02/05/431710205.db2.gz ABXMTJXRMOEMMC-CYBMUJFWSA-N 0 0 318.716 3.112 10 5 DGBERN Cc1sc(C(=O)Nc2ccn(CCC(C)C)n2)cc1[N+](=O)[O-] ZINC000122680033 431842068 /nfs/dbraw/zinc/84/20/68/431842068.db2.gz RGVJXXCQSSRMIF-UHFFFAOYSA-N 0 0 322.390 3.460 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000087104803 431850353 /nfs/dbraw/zinc/85/03/53/431850353.db2.gz JPZZLAGVEYCUAR-GFCCVEGCSA-N 0 0 302.330 3.306 10 5 DGBERN Cc1c(CC(=O)N2CCC[C@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000123547225 431868153 /nfs/dbraw/zinc/86/81/53/431868153.db2.gz TWYYBBHKXATRGP-HNNXBMFYSA-N 0 0 314.341 3.402 10 5 DGBERN Cc1ccc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c(C)n1 ZINC000084776291 431832974 /nfs/dbraw/zinc/83/29/74/431832974.db2.gz MTGYVNACAZMCRL-UHFFFAOYSA-N 0 0 322.324 3.407 10 5 DGBERN Cc1noc(C)c1C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084809899 431833355 /nfs/dbraw/zinc/83/33/55/431833355.db2.gz UMMURDSCXDWMRH-SNVBAGLBSA-N 0 0 304.302 3.426 10 5 DGBERN Cc1cc(C)n(CC(=O)O[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000084808897 431833474 /nfs/dbraw/zinc/83/34/74/431833474.db2.gz HZSQRQXBFTVNSB-CYBMUJFWSA-N 0 0 317.345 3.021 10 5 DGBERN CC(C)[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047864477 431916459 /nfs/dbraw/zinc/91/64/59/431916459.db2.gz CPYYZGSNIBIPQK-MRVPVSSYSA-N 0 0 317.292 3.362 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(OC(F)F)c1 ZINC000048259458 431921380 /nfs/dbraw/zinc/92/13/80/431921380.db2.gz NOWVBOFARSCAQI-UHFFFAOYSA-N 0 0 323.255 3.152 10 5 DGBERN COC(=O)CCCCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000046228555 431896148 /nfs/dbraw/zinc/89/61/48/431896148.db2.gz LJOXFEMJGKBLRL-UHFFFAOYSA-N 0 0 317.345 3.288 10 5 DGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)NCCC1CCCC1 ZINC000054645126 431971979 /nfs/dbraw/zinc/97/19/79/431971979.db2.gz BZLFPUCPULECOZ-UHFFFAOYSA-N 0 0 305.378 3.017 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCS[C@@H](C)C1 ZINC000127672671 431978319 /nfs/dbraw/zinc/97/83/19/431978319.db2.gz FGJLJSVEDPJYBN-JTQLQIEISA-N 0 0 309.391 3.181 10 5 DGBERN Cc1cc([N+](=O)[O-])cn(Cc2ccc(Cl)c(Cl)c2)c1=O ZINC000096778353 431956082 /nfs/dbraw/zinc/95/60/82/431956082.db2.gz MYMGMUJZHFCFMP-UHFFFAOYSA-N 0 0 313.140 3.420 10 5 DGBERN CNC(=O)c1ccc(N[C@@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC000053550788 431964329 /nfs/dbraw/zinc/96/43/29/431964329.db2.gz DMNMPHIHABBGSI-VIFPVBQESA-N 0 0 305.359 3.189 10 5 DGBERN CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1ncccc1[N+](=O)[O-] ZINC000127868207 431982829 /nfs/dbraw/zinc/98/28/29/431982829.db2.gz WTMDPRVZWNQUBH-VXGBXAGGSA-N 0 0 323.418 3.262 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccccc1Cl ZINC000127910417 431983948 /nfs/dbraw/zinc/98/39/48/431983948.db2.gz HUTRFXLOYDRENF-JTQLQIEISA-N 0 0 319.748 3.443 10 5 DGBERN CSc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000055747389 431985179 /nfs/dbraw/zinc/98/51/79/431985179.db2.gz YFPKSSKZTGVDGH-UHFFFAOYSA-N 0 0 302.355 3.247 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1 ZINC000191530687 432274636 /nfs/dbraw/zinc/27/46/36/432274636.db2.gz KSVLSAOSFVNIQB-YNEHKIRRSA-N 0 0 322.409 3.002 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)C2CCCCC2)n1 ZINC000191693542 432291509 /nfs/dbraw/zinc/29/15/09/432291509.db2.gz OUVLDRYJOSTJLK-UHFFFAOYSA-N 0 0 322.409 3.148 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000060635805 432000526 /nfs/dbraw/zinc/00/05/26/432000526.db2.gz RZCSIBOWPJQALK-SSDOTTSWSA-N 0 0 308.281 3.071 10 5 DGBERN Cc1cc(NC(=O)Cc2cccnc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000183678699 432316592 /nfs/dbraw/zinc/31/65/92/432316592.db2.gz LNMPJTRFSXGSRB-UHFFFAOYSA-N 0 0 322.324 3.028 10 5 DGBERN CN(Cc1ccc(Cl)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000152272653 432319799 /nfs/dbraw/zinc/31/97/99/432319799.db2.gz LKEUDNFWMRSXKM-UHFFFAOYSA-N 0 0 318.760 3.449 10 5 DGBERN CCN(CCc1nccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000152720887 432350850 /nfs/dbraw/zinc/35/08/50/432350850.db2.gz HTNMODJREKTMGM-UHFFFAOYSA-N 0 0 320.374 3.148 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC(C)C)CC(C)(C)C ZINC000153095745 432383923 /nfs/dbraw/zinc/38/39/23/432383923.db2.gz VAXJNNJJGQFSFH-UHFFFAOYSA-N 0 0 307.394 3.443 10 5 DGBERN COc1cc([N+](=O)[O-])c(C(=O)NCC2(C)CCC2)cc1SC ZINC000175072122 432394476 /nfs/dbraw/zinc/39/44/76/432394476.db2.gz WIRGJRRDEBEYCS-UHFFFAOYSA-N 0 0 324.402 3.245 10 5 DGBERN CC[C@@H](NC(=O)c1c[nH]nc1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000184479446 432396800 /nfs/dbraw/zinc/39/68/00/432396800.db2.gz GNADGNKDVRXQNZ-CQSZACIVSA-N 0 0 314.345 3.076 10 5 DGBERN COc1cc(C)ccc1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000153721429 432436292 /nfs/dbraw/zinc/43/62/92/432436292.db2.gz NUDOITWBEYHBEI-UHFFFAOYSA-N 0 0 320.370 3.212 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc2ncccc2c1 ZINC000193964921 432512283 /nfs/dbraw/zinc/51/22/83/432512283.db2.gz DFMALOQADKZMJD-UHFFFAOYSA-N 0 0 321.336 3.381 10 5 DGBERN CC(C)c1nnc(CSc2ccc([N+](=O)[O-])cc2F)n1C ZINC000193506546 432477778 /nfs/dbraw/zinc/47/77/78/432477778.db2.gz LRLOZCUWBIYRTA-UHFFFAOYSA-N 0 0 310.354 3.278 10 5 DGBERN C[C@@H](N(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1(C)CC1 ZINC000176248659 432504317 /nfs/dbraw/zinc/50/43/17/432504317.db2.gz AFVODYJIVYUHKE-SNVBAGLBSA-N 0 0 301.346 3.337 10 5 DGBERN O=C(NCCC1=CCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154835507 432523845 /nfs/dbraw/zinc/52/38/45/432523845.db2.gz SAKHBUUGEJEAKU-UHFFFAOYSA-N 0 0 311.341 3.373 10 5 DGBERN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCCO1 ZINC000154931024 432529041 /nfs/dbraw/zinc/52/90/41/432529041.db2.gz YUYFTQWUURRBHN-UHFFFAOYSA-N 0 0 313.313 3.116 10 5 DGBERN CC(C)[C@H]1C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000185752209 432530100 /nfs/dbraw/zinc/53/01/00/432530100.db2.gz KBWXLOWZSZNHPQ-NXEZZACHSA-N 0 0 314.288 3.427 10 5 DGBERN CCn1c(C)nnc1COc1ccc([N+](=O)[O-])c2ccccc12 ZINC000176645794 432540625 /nfs/dbraw/zinc/54/06/25/432540625.db2.gz GYVLKQHQNGLWEY-UHFFFAOYSA-N 0 0 312.329 3.247 10 5 DGBERN CC[C@H](NC(=O)N1CCSC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000176704127 432545522 /nfs/dbraw/zinc/54/55/22/432545522.db2.gz PLKLNOFHKABVLT-RISCZKNCSA-N 0 0 323.418 3.193 10 5 DGBERN Cc1cccc([N+](=O)[O-])c1N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000176952148 432569292 /nfs/dbraw/zinc/56/92/92/432569292.db2.gz XKSXNNUPBVTDCD-LBPRGKRZSA-N 0 0 306.362 3.071 10 5 DGBERN Cc1cc([N+](=O)[O-])cn(Cc2cc(Cl)ccc2Cl)c1=O ZINC000155821819 432574491 /nfs/dbraw/zinc/57/44/91/432574491.db2.gz ZZQBUDQOKVPAGS-UHFFFAOYSA-N 0 0 313.140 3.420 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000194772097 432575334 /nfs/dbraw/zinc/57/53/34/432575334.db2.gz PBLJMYCKSVQBFO-SNVBAGLBSA-N 0 0 316.279 3.318 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nccc2sccc21 ZINC000156099579 432587142 /nfs/dbraw/zinc/58/71/42/432587142.db2.gz BBQLSSZRXUADJH-UHFFFAOYSA-N 0 0 314.326 3.160 10 5 DGBERN Cc1cc(C(=O)NCCc2cc(F)ccc2F)cc([N+](=O)[O-])c1 ZINC000177113022 432588062 /nfs/dbraw/zinc/58/80/62/432588062.db2.gz SQQWWDOISLXQAH-UHFFFAOYSA-N 0 0 320.295 3.154 10 5 DGBERN COc1cccc(Cl)c1CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000156182601 432591729 /nfs/dbraw/zinc/59/17/29/432591729.db2.gz HHODUMLEQMPRDI-UHFFFAOYSA-N 0 0 320.732 3.438 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1CNc1ccc(C(=O)N(C)C)cc1 ZINC000195065233 432599016 /nfs/dbraw/zinc/59/90/16/432599016.db2.gz HBQSFBOWQROXGI-UHFFFAOYSA-N 0 0 313.357 3.217 10 5 DGBERN Cc1csc([C@@H]2COCCN2c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000189133958 432765330 /nfs/dbraw/zinc/76/53/30/432765330.db2.gz BQPHMPKFLRKZHV-ZDUSSCGKSA-N 0 0 323.349 3.077 10 5 DGBERN O=[N+]([O-])c1ccc(NC[C@H]2CCCC[C@H]2O)c2ncccc12 ZINC000265812432 432733943 /nfs/dbraw/zinc/73/39/43/432733943.db2.gz FYBOTTNRTZNULF-IAQYHMDHSA-N 0 0 301.346 3.106 10 5 DGBERN Cc1cnc(N(C)Cc2nc3c(s2)CCCC3)c([N+](=O)[O-])c1 ZINC000267011704 432806562 /nfs/dbraw/zinc/80/65/62/432806562.db2.gz GVDRSYNFBAMTNA-UHFFFAOYSA-N 0 0 318.402 3.270 10 5 DGBERN CCc1cc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n[nH]1 ZINC000189679061 432810700 /nfs/dbraw/zinc/81/07/00/432810700.db2.gz YWXYWCHPQTWURC-UHFFFAOYSA-N 0 0 302.334 3.256 10 5 DGBERN COc1cc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000268387276 432868226 /nfs/dbraw/zinc/86/82/26/432868226.db2.gz LCLQKGHDWLBSEC-PXWWUCIGSA-N 0 0 310.325 3.112 10 5 DGBERN CC(=O)[C@@H](C)CCCCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000279491551 432974704 /nfs/dbraw/zinc/97/47/04/432974704.db2.gz PGUNRNBYPVWQMP-ZDUSSCGKSA-N 0 0 320.389 3.039 10 5 DGBERN O=[N+]([O-])c1ccc(CNCc2ccn(Cc3ccccc3)n2)cc1 ZINC000341252780 433006174 /nfs/dbraw/zinc/00/61/74/433006174.db2.gz FXNMRHDKGCEPMD-UHFFFAOYSA-N 0 0 322.368 3.129 10 5 DGBERN CC(=O)c1c(C)cccc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000157717922 292751237 /nfs/dbraw/zinc/75/12/37/292751237.db2.gz DKMXVXXARTYABH-UHFFFAOYSA-N 0 0 312.325 3.287 10 5 DGBERN Cc1nc(NC(=O)Cc2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000448254264 433380568 /nfs/dbraw/zinc/38/05/68/433380568.db2.gz COMSCWKKYYDXQC-UHFFFAOYSA-N 0 0 323.711 3.272 10 5 DGBERN COC(=O)/C=C/c1ccc(N[C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000301354110 433518718 /nfs/dbraw/zinc/51/87/18/433518718.db2.gz XGLXQXGRLCBOSF-FROQITRMSA-N 0 0 302.330 3.302 10 5 DGBERN CCC[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000301438900 433555794 /nfs/dbraw/zinc/55/57/94/433555794.db2.gz LMRDKBXWFXMFIQ-IUODEOHRSA-N 0 0 317.389 3.431 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](O)c2ccccc2F)c1 ZINC000301519568 433591934 /nfs/dbraw/zinc/59/19/34/433591934.db2.gz KXESLIHHTURZKZ-CQSZACIVSA-N 0 0 324.283 3.027 10 5 DGBERN CCO[C@@H]1C[C@@H](N(C)c2cc(C)c([N+](=O)[O-])cn2)C12CCCC2 ZINC000301420715 433545095 /nfs/dbraw/zinc/54/50/95/433545095.db2.gz DWPPNIMHJKTBOU-HUUCEWRRSA-N 0 0 319.405 3.472 10 5 DGBERN COc1cc(NCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1F ZINC000301612913 433639666 /nfs/dbraw/zinc/63/96/66/433639666.db2.gz GMWYAKGZOCFBTC-UHFFFAOYSA-N 0 0 321.264 3.263 10 5 DGBERN Cc1noc(C)c1CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301560247 433610017 /nfs/dbraw/zinc/61/00/17/433610017.db2.gz KANQARMSROOAQY-UHFFFAOYSA-N 0 0 320.305 3.153 10 5 DGBERN CO[C@@H](C)c1nc(CN(C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000301577885 433617915 /nfs/dbraw/zinc/61/79/15/433617915.db2.gz TXSPUUCLWYUJIQ-JTQLQIEISA-N 0 0 307.375 3.395 10 5 DGBERN CCS[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1 ZINC000301702603 433687741 /nfs/dbraw/zinc/68/77/41/433687741.db2.gz FEBQKLFJYUSNJD-GXTWGEPZSA-N 0 0 324.402 3.468 10 5 DGBERN COC(=O)c1cc(N[C@@H]2CCC[C@@H](OC)C2)cc(C)c1[N+](=O)[O-] ZINC000301780413 433718376 /nfs/dbraw/zinc/71/83/76/433718376.db2.gz NCNMTWXGAXQUAV-DGCLKSJQSA-N 0 0 322.361 3.059 10 5 DGBERN CSc1ccc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)nn1 ZINC000301805208 433733759 /nfs/dbraw/zinc/73/37/59/433733759.db2.gz XYEPZTGRSSFKDV-UHFFFAOYSA-N 0 0 316.386 3.276 10 5 DGBERN CO[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[C@H]1C ZINC000302549191 433825560 /nfs/dbraw/zinc/82/55/60/433825560.db2.gz JNNRQNZEQHMFHE-RNCFNFMXSA-N 0 0 318.295 3.475 10 5 DGBERN CCC1(CC)[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C[C@@H]1OC ZINC000301983186 433806333 /nfs/dbraw/zinc/80/63/33/433806333.db2.gz ASDODXTZPNMLRH-CABCVRRESA-N 0 0 308.378 3.093 10 5 DGBERN COC(=O)c1cc(N2C[C@H](C)[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000302134616 433813030 /nfs/dbraw/zinc/81/30/30/433813030.db2.gz CXEWTJSZCUIVLC-NJZAAPMLSA-N 0 0 318.373 3.396 10 5 DGBERN O=[N+]([O-])c1ccc(F)cc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000302824349 433874003 /nfs/dbraw/zinc/87/40/03/433874003.db2.gz WQTVMXRPWXHERB-INIZCTEOSA-N 0 0 320.295 3.451 10 5 DGBERN COc1cc(NCC2(SC)CCC2)c([N+](=O)[O-])cc1F ZINC000302826120 433874627 /nfs/dbraw/zinc/87/46/27/433874627.db2.gz AICKWSDALYGDDX-UHFFFAOYSA-N 0 0 300.355 3.440 10 5 DGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN2CCCC[C@H]2C1 ZINC000302680317 433828032 /nfs/dbraw/zinc/82/80/32/433828032.db2.gz OPXYRSAFDJEFPK-LBPRGKRZSA-N 0 0 309.797 3.231 10 5 DGBERN COc1cc(N2CC(C)(C)OC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000302705846 433833316 /nfs/dbraw/zinc/83/33/16/433833316.db2.gz YJWGMOTYRJZSNU-UHFFFAOYSA-N 0 0 312.341 3.136 10 5 DGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCc1cc[nH]n1 ZINC000302743358 433849244 /nfs/dbraw/zinc/84/92/44/433849244.db2.gz DMEQGTSPIQDPLL-UHFFFAOYSA-N 0 0 314.267 3.381 10 5 DGBERN O=[N+]([O-])c1ccc(NCCc2nc3ccccc3s2)cn1 ZINC000436194317 433899201 /nfs/dbraw/zinc/89/92/01/433899201.db2.gz OGLLLQQDIIUJHT-UHFFFAOYSA-N 0 0 300.343 3.254 10 5 DGBERN Cn1c2ccc(Nc3ccc([N+](=O)[O-])nc3)cc2nc1C1CC1 ZINC000450414297 434160682 /nfs/dbraw/zinc/16/06/82/434160682.db2.gz XPZGGVFCOWIVIE-UHFFFAOYSA-N 0 0 309.329 3.498 10 5 DGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000286444037 434268958 /nfs/dbraw/zinc/26/89/58/434268958.db2.gz IZWAWEOHXVHROZ-GDBMZVCRSA-N 0 0 320.389 3.031 10 5 DGBERN O=[N+]([O-])c1cc(Br)cnc1NCCC1(F)CCC1 ZINC000340964776 434459475 /nfs/dbraw/zinc/45/94/75/434459475.db2.gz MPQJGCZNIITSLB-UHFFFAOYSA-N 0 0 318.146 3.447 10 5 DGBERN Cc1cc(N2CC[C@@H](CCO)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360075638 434507928 /nfs/dbraw/zinc/50/79/28/434507928.db2.gz VCRSWUQNIQSYKJ-JTQLQIEISA-N 0 0 318.295 3.131 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(C)(C)C)C1 ZINC000408327766 434563792 /nfs/dbraw/zinc/56/37/92/434563792.db2.gz UWWQVODQENUFLE-GFCCVEGCSA-N 0 0 305.378 3.197 10 5 DGBERN Cc1ccnc(C2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)n1 ZINC000371807625 434754910 /nfs/dbraw/zinc/75/49/10/434754910.db2.gz CCCTZQXBLLWXFP-UHFFFAOYSA-N 0 0 316.336 3.216 10 5 DGBERN CC(=O)c1c(C)cccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000446314124 434857851 /nfs/dbraw/zinc/85/78/51/434857851.db2.gz VHLRBSIPZKLSKR-UHFFFAOYSA-N 0 0 316.288 3.497 10 5 DGBERN COC(=O)c1c([N+](=O)[O-])ccc(C(F)(F)F)c1C(F)(F)F ZINC000575381130 435032874 /nfs/dbraw/zinc/03/28/74/435032874.db2.gz XQHAIARRCGNDOT-UHFFFAOYSA-N 0 0 317.141 3.419 10 5 DGBERN CCOc1c(OC(F)F)cc([N+](=O)[O-])cc1OC(F)(F)F ZINC000575656738 435039461 /nfs/dbraw/zinc/03/94/61/435039461.db2.gz JTOCKEIEBJOFGU-UHFFFAOYSA-N 0 0 317.166 3.494 10 5 DGBERN CC(=O)c1cc(OC(F)F)c([N+](=O)[O-])c(OC(F)(F)F)c1 ZINC000575668926 435042035 /nfs/dbraw/zinc/04/20/35/435042035.db2.gz VYUOIBGFVCVFAP-UHFFFAOYSA-N 0 0 315.150 3.297 10 5 DGBERN CC(=O)c1cc(Br)c([N+](=O)[O-])cc1OC(F)F ZINC000575684407 435043723 /nfs/dbraw/zinc/04/37/23/435043723.db2.gz VDZPLWLZDFFREP-UHFFFAOYSA-N 0 0 310.050 3.161 10 5 DGBERN CCOc1cc([N+](=O)[O-])cc(CC)c1I ZINC000575696413 435046598 /nfs/dbraw/zinc/04/65/98/435046598.db2.gz PEVLWXRUQBFJJB-UHFFFAOYSA-N 0 0 321.114 3.161 10 5 DGBERN CCOC(=O)c1c(Br)cc([N+](=O)[O-])cc1CC ZINC000575699772 435047518 /nfs/dbraw/zinc/04/75/18/435047518.db2.gz MJJIODYGMWBOII-UHFFFAOYSA-N 0 0 302.124 3.096 10 5 DGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@H]1C ZINC000537134196 435425489 /nfs/dbraw/zinc/42/54/89/435425489.db2.gz VVBZXRCSJKCNAS-WDEREUQCSA-N 0 0 308.403 3.481 10 5 DGBERN COCCOc1ccc(Nc2ccc([N+](=O)[O-])nc2)cc1Cl ZINC000569406796 435530350 /nfs/dbraw/zinc/53/03/50/435530350.db2.gz FQCGVJLGGSMWNV-UHFFFAOYSA-N 0 0 323.736 3.412 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1ccco1 ZINC000171447456 312720164 /nfs/dbraw/zinc/72/01/64/312720164.db2.gz AJGVKWKPPMGICU-NSHDSACASA-N 0 0 300.314 3.098 10 5 DGBERN CC(C)(C)C1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000172296835 312744991 /nfs/dbraw/zinc/74/49/91/312744991.db2.gz RVSQRRFRCTXEAQ-UHFFFAOYSA-N 0 0 320.389 3.258 10 5 DGBERN CCc1noc(C)c1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000179434481 312806456 /nfs/dbraw/zinc/80/64/56/312806456.db2.gz FKQZKZGVPXRWBE-UHFFFAOYSA-N 0 0 318.333 3.118 10 5 DGBERN O=[N+]([O-])c1cccc2ncnc(Nc3cccc(CCCO)c3)c21 ZINC000542505525 314080672 /nfs/dbraw/zinc/08/06/72/314080672.db2.gz AGCHDTNDXDJWPX-UHFFFAOYSA-N 0 0 324.340 3.207 10 5 DGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC1CC1 ZINC000545908876 314274436 /nfs/dbraw/zinc/27/44/36/314274436.db2.gz KXNVDDNETNSJTM-OAHLLOKOSA-N 0 0 304.390 3.470 10 5 DGBERN CCc1nc(C)c(NC(=O)NCc2cccc([N+](=O)[O-])c2)s1 ZINC000548012125 314412578 /nfs/dbraw/zinc/41/25/78/314412578.db2.gz KDZUPTPKYATDKI-UHFFFAOYSA-N 0 0 320.374 3.244 10 5 DGBERN COC(=O)c1cc(C)nc(N(C)[C@@H]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000561141188 314955954 /nfs/dbraw/zinc/95/59/54/314955954.db2.gz FHNRLTDUJCWMBF-CMPLNLGQSA-N 0 0 321.377 3.100 10 5 DGBERN CC[C@H]1CCN(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000563482436 315119194 /nfs/dbraw/zinc/11/91/94/315119194.db2.gz MJHJXAPWJOWMPK-VIFPVBQESA-N 0 0 316.279 3.486 10 5 DGBERN C[C@@H](C(=O)N[C@H]1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000568826501 315538518 /nfs/dbraw/zinc/53/85/18/315538518.db2.gz DUDONKPRONJGSM-PWSUYJOCSA-N 0 0 312.316 3.392 10 5 DGBERN CC[C@H](C)NC(=O)c1ccc(Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC000569528142 315586524 /nfs/dbraw/zinc/58/65/24/315586524.db2.gz IFAOAVGMLDTNSX-NSHDSACASA-N 0 0 314.345 3.262 10 5 DGBERN O=[N+]([O-])c1ccc(N2CC[C@H](Cc3ccc(F)cc3)C2)cn1 ZINC000570725961 315670626 /nfs/dbraw/zinc/67/06/26/315670626.db2.gz XQJFVDGMGPSLDM-CYBMUJFWSA-N 0 0 301.321 3.198 10 5 DGBERN CSCC(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000180294119 323226167 /nfs/dbraw/zinc/22/61/67/323226167.db2.gz KVZKIWDSEHZFEY-UHFFFAOYSA-N 0 0 323.399 3.044 10 5 DGBERN COc1ccc(CN(C)Cc2ccc([N+](=O)[O-])cc2C)cc1O ZINC000183295098 323332286 /nfs/dbraw/zinc/33/22/86/323332286.db2.gz LXYKUKFMIDVDSM-UHFFFAOYSA-N 0 0 316.357 3.249 10 5 DGBERN CC(=O)[C@H](C)CCCCc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351141504 323554736 /nfs/dbraw/zinc/55/47/36/323554736.db2.gz CNOSEBFQKYEBAM-SECBINFHSA-N 0 0 307.306 3.176 10 5 DGBERN CCOC(=O)c1cccc([N+](=O)[O-])c1NNc1ccccc1 ZINC000584599071 337370569 /nfs/dbraw/zinc/37/05/69/337370569.db2.gz VMEPYJLZAQXFLM-UHFFFAOYSA-N 0 0 301.302 3.211 10 5 DGBERN O=[N+]([O-])c1ccc(S(=O)(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000584650939 337380861 /nfs/dbraw/zinc/38/08/61/337380861.db2.gz INOZHGSUIRITTJ-UHFFFAOYSA-N 0 0 321.398 3.337 10 5 DGBERN COc1cccc2c1CC[C@@H]2Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302053962 533869210 /nfs/dbraw/zinc/86/92/10/533869210.db2.gz PZCFRQDJHFFKRP-AWEZNQCLSA-N 0 0 314.341 3.195 10 5 DGBERN Cc1cc(Nc2ncc(Cl)cc2[N+](=O)[O-])ccc1OCCO ZINC000302149380 534006606 /nfs/dbraw/zinc/00/66/06/534006606.db2.gz HKVILBYHKAEHSQ-UHFFFAOYSA-N 0 0 323.736 3.066 10 5 DGBERN C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000174326097 534046958 /nfs/dbraw/zinc/04/69/58/534046958.db2.gz LXGOAOJDHKRSLH-JTQLQIEISA-N 0 0 320.295 3.407 10 5 DGBERN COC(=O)c1ccc(F)c(CNc2ccccc2[N+](=O)[O-])c1 ZINC000302156106 534170425 /nfs/dbraw/zinc/17/04/25/534170425.db2.gz IUJOGUYYRVVEOR-UHFFFAOYSA-N 0 0 304.277 3.133 10 5 DGBERN O=C(NCCCc1ccccn1)c1ccc([N+](=O)[O-])cc1Cl ZINC000179072540 534851790 /nfs/dbraw/zinc/85/17/90/534851790.db2.gz DNZRVAVHVDTBDO-UHFFFAOYSA-N 0 0 319.748 3.006 10 5 DGBERN CC(=O)NCc1ccc(Nc2ncc(Cl)cc2[N+](=O)[O-])cc1 ZINC000434957433 526812047 /nfs/dbraw/zinc/81/20/47/526812047.db2.gz DHKPRACKUHOCKK-UHFFFAOYSA-N 0 0 320.736 3.023 10 5 DGBERN CC(=O)c1c(C)cccc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000188677551 527171363 /nfs/dbraw/zinc/17/13/63/527171363.db2.gz GESHQLUTZQSRQM-UHFFFAOYSA-N 0 0 304.327 3.420 10 5 DGBERN CC(=O)c1ccc(N(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000301346604 527287964 /nfs/dbraw/zinc/28/79/64/527287964.db2.gz JWLXDAKIGAVCKD-WQVCFCJDSA-N 0 0 318.373 3.047 10 5 DGBERN CC(=O)c1ccc2c(c1)CN(c1nc(C)cc(C)c1[N+](=O)[O-])C2 ZINC000413499676 527347436 /nfs/dbraw/zinc/34/74/36/527347436.db2.gz DJRQDZDBRZIOJW-UHFFFAOYSA-N 0 0 311.341 3.329 10 5 DGBERN CCOc1cc(N[C@H](CC)c2cccc([N+](=O)[O-])c2)ncn1 ZINC000302322861 528331106 /nfs/dbraw/zinc/33/11/06/528331106.db2.gz XAQWTDYBAWRQOF-CYBMUJFWSA-N 0 0 302.334 3.347 10 5 DGBERN CC[C@](C)(O)CN(Cc1ccccc1)c1ccc([N+](=O)[O-])nc1 ZINC000450469500 535842998 /nfs/dbraw/zinc/84/29/98/535842998.db2.gz GWNYJKSZKYKOCL-KRWDZBQOSA-N 0 0 315.373 3.157 10 5 DGBERN CC[C@H](C)[C@H](Nc1ccc([N+](=O)[O-])nc1)C(=O)OC(C)(C)C ZINC000450438364 535985270 /nfs/dbraw/zinc/98/52/70/535985270.db2.gz MLULZFOGZHVLHK-GWCFXTLKSA-N 0 0 309.366 3.158 10 5 DGBERN Cc1nc2ncc([N+](=O)[O-])c(Cl)c2cc1Br ZINC000584881919 563337306 /nfs/dbraw/zinc/33/73/06/563337306.db2.gz HGEBTOSEDRUTAN-UHFFFAOYSA-N 0 0 302.515 3.262 10 5 DGBERN Cn1c(C(=O)NC(C2CCCC2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000735446550 574702107 /nfs/dbraw/zinc/70/21/07/574702107.db2.gz FJAHMZYBSNLOJZ-UHFFFAOYSA-N 0 0 319.405 3.412 10 5 DGBERN O=C(CCc1ccsc1)OCCc1ccccc1[N+](=O)[O-] ZINC000151228216 620431740 /nfs/dbraw/zinc/43/17/40/620431740.db2.gz YQIUYCZYAVGPMH-UHFFFAOYSA-N 0 0 305.355 3.375 10 5 DGBERN CCc1ccc(C(=O)O[C@@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000151660027 620469032 /nfs/dbraw/zinc/46/90/32/620469032.db2.gz NNQNQUYZUKTFIH-NSHDSACASA-N 0 0 307.346 3.129 10 5 DGBERN CC(=O)Nc1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000032426583 620581806 /nfs/dbraw/zinc/58/18/06/620581806.db2.gz YVFMXEOJMKQUAA-UHFFFAOYSA-N 0 0 320.326 3.142 10 5 DGBERN Cc1c(OC[C@@H](O)c2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000154020692 620632703 /nfs/dbraw/zinc/63/27/03/620632703.db2.gz LSUDMBAWAVWEIA-CQSZACIVSA-N 0 0 309.268 3.294 10 5 DGBERN CCc1ccc(OC(=O)CC[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000115926874 621163648 /nfs/dbraw/zinc/16/36/48/621163648.db2.gz CBPUGCQIPGNMBO-ZDUSSCGKSA-N 0 0 307.346 3.412 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Oc1ccc(OC(C)C)cc1 ZINC000117150823 621357078 /nfs/dbraw/zinc/35/70/78/621357078.db2.gz WPPGYCZGLUFQAW-UHFFFAOYSA-N 0 0 316.313 3.305 10 5 DGBERN CCc1ccc(OC(=O)C2(CCOC)CCC2)c([N+](=O)[O-])c1 ZINC000120616551 621948295 /nfs/dbraw/zinc/94/82/95/621948295.db2.gz AKZSXKNCYOAOER-UHFFFAOYSA-N 0 0 307.346 3.269 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)CCCC[C@@H](C)C(C)=O ZINC000122713082 622390080 /nfs/dbraw/zinc/39/00/80/622390080.db2.gz UVHUDMIKZJRYEI-LLVKDONJSA-N 0 0 323.345 3.294 10 5 DGBERN COCCC1(C(=O)O[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000124905901 623250316 /nfs/dbraw/zinc/25/03/16/623250316.db2.gz FNDFYAJYHNOZCH-GFCCVEGCSA-N 0 0 307.346 3.324 10 5 DGBERN Cc1ncsc1CCOC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000103642523 626397854 /nfs/dbraw/zinc/39/78/54/626397854.db2.gz ZZIAUJYIOPQCAN-UHFFFAOYSA-N 0 0 306.343 3.068 10 5 DGBERN CC(=O)CCN(C)C(=O)c1cc2ccccc2c2cccnc12 ZINC000135184534 626914603 /nfs/dbraw/zinc/91/46/03/626914603.db2.gz CPNVHCVUCXJSLL-UHFFFAOYSA-N 0 0 306.365 3.439 10 5 DGBERN C[C@H]1CCC[C@H](C)N1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000105580203 627541145 /nfs/dbraw/zinc/54/11/45/627541145.db2.gz CVXVKPHUXRMMEA-UWVGGRQHSA-N 0 0 311.769 3.156 10 5 DGBERN C[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000102128400 629952726 /nfs/dbraw/zinc/95/27/26/629952726.db2.gz XMSAHUVOAIFLJY-SNVBAGLBSA-N 0 0 311.297 3.389 10 5 DGBERN CCCOCCOC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000107413160 631620260 /nfs/dbraw/zinc/62/02/60/631620260.db2.gz KKPADEYYYQYOAQ-NSHDSACASA-N 0 0 313.375 3.045 10 5 DGBERN Cc1c(C(=O)N2C[C@@H](C)CC[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000072544343 660201015 /nfs/dbraw/zinc/20/10/15/660201015.db2.gz ICOSHOSKPUILAY-UWVGGRQHSA-N 0 0 321.333 3.072 10 5 DGBERN Cc1cccc(CCCOC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000073023769 660236179 /nfs/dbraw/zinc/23/61/79/660236179.db2.gz VXUNYOOJABGGQS-UHFFFAOYSA-N 0 0 300.314 3.088 10 5 DGBERN C[C@]1(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1(F)F ZINC000701743259 660681860 /nfs/dbraw/zinc/68/18/60/660681860.db2.gz WIIGEWODNATUPY-LLVKDONJSA-N 0 0 304.680 3.023 10 5 DGBERN COc1cc(NCC[C@H]2CCSC2)c(F)cc1[N+](=O)[O-] ZINC000704869109 660823033 /nfs/dbraw/zinc/82/30/33/660823033.db2.gz UJRRZRNGMFIJSP-VIFPVBQESA-N 0 0 300.355 3.298 10 5 DGBERN CC(C)(C)[S@@](C)(=O)=NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000710157022 660932776 /nfs/dbraw/zinc/93/27/76/660932776.db2.gz XRICKGNUXJXHII-HXUWFJFHSA-N 0 0 318.782 3.285 10 5 DGBERN O=C(NCCc1ccsc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013698265 655644206 /nfs/dbraw/zinc/64/42/06/655644206.db2.gz NIDGEOFODYDUQS-UHFFFAOYSA-N 0 0 310.762 3.282 10 5 DGBERN O=C(COc1cc(Cl)ccc1[N+](=O)[O-])Nc1ccccc1F ZINC000121291980 655684756 /nfs/dbraw/zinc/68/47/56/655684756.db2.gz LQSLZYKVOUAJJU-UHFFFAOYSA-N 0 0 324.695 3.405 10 5 DGBERN C[C@H](OC(=O)/C=C\c1cncc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000255473062 655758290 /nfs/dbraw/zinc/75/82/90/655758290.db2.gz NECDUMPKDPYKIE-JNWMYZIBSA-N 0 0 316.288 3.447 10 5 DGBERN COCC1CC(Nc2cccc(Br)c2[N+](=O)[O-])C1 ZINC000713956878 661195229 /nfs/dbraw/zinc/19/52/29/661195229.db2.gz RTEVZRSMOVYZKJ-UHFFFAOYSA-N 0 0 315.167 3.194 10 5 DGBERN O=[N+]([O-])c1ccc(F)cc1CN(Cc1ccccn1)C1CC1 ZINC000180865222 655969715 /nfs/dbraw/zinc/96/97/15/655969715.db2.gz PYTWIDFNAPLSNZ-UHFFFAOYSA-N 0 0 301.321 3.294 10 5 DGBERN C[C@@H]1COCC[C@H]1Nc1cccc(Br)c1[N+](=O)[O-] ZINC000311242332 655987633 /nfs/dbraw/zinc/98/76/33/655987633.db2.gz XIUOCHSBSLXURU-PSASIEDQSA-N 0 0 315.167 3.194 10 5 DGBERN CCc1nn(C)cc1C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000092715883 656610139 /nfs/dbraw/zinc/61/01/39/656610139.db2.gz UFUNZLMMVMNSSV-LLVKDONJSA-N 0 0 317.345 3.117 10 5 DGBERN Cc1cccc(C(=O)OCCCOC2CCCC2)c1[N+](=O)[O-] ZINC000127210341 657675792 /nfs/dbraw/zinc/67/57/92/657675792.db2.gz WVXFNTPQTMDDLS-UHFFFAOYSA-N 0 0 307.346 3.409 10 5 DGBERN O=[N+]([O-])c1c(Br)cccc1NCC[C@H]1CCOC1 ZINC000311184024 659175625 /nfs/dbraw/zinc/17/56/25/659175625.db2.gz BGWCLDXSWVUTKV-VIFPVBQESA-N 0 0 315.167 3.196 10 5 DGBERN Cc1c(C(=O)Nc2ccnn2C2CCCC2)cccc1[N+](=O)[O-] ZINC000060953570 659219859 /nfs/dbraw/zinc/21/98/59/659219859.db2.gz CPBJSNORVLAZJS-UHFFFAOYSA-N 0 0 314.345 3.467 10 5 DGBERN COc1cc(C(=O)OCCOC2CCCCC2)ccc1[N+](=O)[O-] ZINC000171331151 659273837 /nfs/dbraw/zinc/27/38/37/659273837.db2.gz HBYYSIMJNSOTTQ-UHFFFAOYSA-N 0 0 323.345 3.110 10 5 DGBERN CSCC(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000063449689 659385661 /nfs/dbraw/zinc/38/56/61/659385661.db2.gz ZAATUEGKHJJQOV-UHFFFAOYSA-N 0 0 314.794 3.354 10 5 DGBERN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F)c1cccnc1 ZINC000174028916 659409154 /nfs/dbraw/zinc/40/91/54/659409154.db2.gz KQVYURXUZOXLHJ-MRVPVSSYSA-N 0 0 307.256 3.010 10 5 DGBERN CCc1ccc(OC(=O)CCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000174337623 659428269 /nfs/dbraw/zinc/42/82/69/659428269.db2.gz WPCREYNRMJHPRM-UHFFFAOYSA-N 0 0 307.346 3.269 10 5 DGBERN O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cccc(Cl)c2)s1 ZINC000064240456 659877208 /nfs/dbraw/zinc/87/72/08/659877208.db2.gz DEZZSFINIUDNCH-UHFFFAOYSA-N 0 0 319.747 3.077 10 5 DGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1cccc(Cl)c1 ZINC000195130133 659907914 /nfs/dbraw/zinc/90/79/14/659907914.db2.gz PJSFUXMQMSBSLN-SECBINFHSA-N 0 0 319.748 3.321 10 5 DGBERN CO[C@@H](C)c1nc(C)c(C(=O)Oc2cccc([N+](=O)[O-])c2)s1 ZINC000175225500 659917658 /nfs/dbraw/zinc/91/76/58/659917658.db2.gz LCQAQPIFTZQPIV-VIFPVBQESA-N 0 0 322.342 3.286 10 5 DGBERN C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CCOC1 ZINC000079187736 662103142 /nfs/dbraw/zinc/10/31/42/662103142.db2.gz GNGGUNRLKPSQHN-ZJUUUORDSA-N 0 0 321.354 3.391 10 5 DGBERN COc1ccc(OCc2cc(F)ccc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000192774597 662110844 /nfs/dbraw/zinc/11/08/44/662110844.db2.gz HCSNHUYYKJJDLV-UHFFFAOYSA-N 0 0 322.248 3.230 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)OCCCc1ccccc1 ZINC000192807071 662111805 /nfs/dbraw/zinc/11/18/05/662111805.db2.gz QSAPPNIFSFZQGH-UHFFFAOYSA-N 0 0 300.314 3.088 10 5 DGBERN CCOC(=O)c1cccc(OC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000193360220 662131538 /nfs/dbraw/zinc/13/15/38/662131538.db2.gz NDQAEAHOOCTYMS-UHFFFAOYSA-N 0 0 321.310 3.052 10 5 DGBERN CCCOc1ccc(OC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000194683799 662171516 /nfs/dbraw/zinc/17/15/16/662171516.db2.gz WRLYRMWJJJNOMW-UHFFFAOYSA-N 0 0 316.313 3.306 10 5 DGBERN C[C@@H](C1CC1)n1nccc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000195227797 662180529 /nfs/dbraw/zinc/18/05/29/662180529.db2.gz CQEICEXWSIXIHM-VIFPVBQESA-N 0 0 318.308 3.154 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1nccn1C(F)F ZINC000085271987 662207146 /nfs/dbraw/zinc/20/71/46/662207146.db2.gz KKVQKQPXXLFAKC-SECBINFHSA-N 0 0 308.288 3.138 10 5 DGBERN O=[N+]([O-])c1ccc(Br)cc1NCC[C@@H]1CCCO1 ZINC000087834255 662228203 /nfs/dbraw/zinc/22/82/03/662228203.db2.gz HPDIQBCZLBCMLV-JTQLQIEISA-N 0 0 315.167 3.338 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)CCc1ccc(C)cc1 ZINC000247857625 662329207 /nfs/dbraw/zinc/32/92/07/662329207.db2.gz DNVNDJJHDWGRAM-UHFFFAOYSA-N 0 0 315.325 3.450 10 5 DGBERN CCOCc1nc(Cl)cc(Oc2ccccc2[N+](=O)[O-])n1 ZINC000129589072 1176450447 /nfs/dbraw/zinc/45/04/47/1176450447.db2.gz OYCKKYMEGSYQGS-UHFFFAOYSA-N 0 0 309.709 3.367 10 5 DGBERN COc1cccc(OC)c1COC(=O)c1csc([N+](=O)[O-])c1 ZINC000085770115 1176615707 /nfs/dbraw/zinc/61/57/07/1176615707.db2.gz BPQLXBONBZTMSS-UHFFFAOYSA-N 0 0 323.326 3.031 10 5 DGBERN CS[C@@H]1CCCC[C@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000218945606 1202563863 /nfs/dbraw/zinc/56/38/63/1202563863.db2.gz MUIKCHQVGKNQQZ-RKDXNWHRSA-N 0 0 312.420 3.390 10 5 DGBERN O=[N+]([O-])c1ccc(OCc2ccc(Cl)nn2)c(Cl)c1 ZINC000167296198 1203818103 /nfs/dbraw/zinc/81/81/03/1203818103.db2.gz HDIASXQJMWZGHA-UHFFFAOYSA-N 0 0 300.101 3.271 10 5 DGBERN CCCC[C@H](COC)NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588439039 1082283680 /nfs/dbraw/zinc/28/36/80/1082283680.db2.gz XQAHPGCOAXVHGE-BMOGTNHUSA-N 0 0 320.389 3.320 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1ncccc1F ZINC000588440517 1082285403 /nfs/dbraw/zinc/28/54/03/1082285403.db2.gz QHYMGGYUXATHCT-KHPPLWFESA-N 0 0 315.304 3.195 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCCOC(C)(C)C ZINC000588445114 1082290228 /nfs/dbraw/zinc/29/02/28/1082290228.db2.gz HJBTZLHWRRYFPW-QXMHVHEDSA-N 0 0 307.346 3.356 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1cccnc1 ZINC000588444878 1082290671 /nfs/dbraw/zinc/29/06/71/1082290671.db2.gz SAFYUXDAOOAEAN-KXXVWKPMSA-N 0 0 311.341 3.271 10 5 DGBERN C[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccns1 ZINC000716335473 1092103238 /nfs/dbraw/zinc/10/32/38/1092103238.db2.gz CKQQFMXRRDOJCI-ZETCQYMHSA-N 0 0 311.750 3.196 10 5 DGBERN CC(C)(NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(C)(F)F ZINC000407194782 1094777642 /nfs/dbraw/zinc/77/76/42/1094777642.db2.gz CSNYSRFROHFKOF-UHFFFAOYSA-N 0 0 306.696 3.412 10 5 DGBERN CC(C)CC[C@H](C)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000069236109 1099096693 /nfs/dbraw/zinc/09/66/93/1099096693.db2.gz KMTMJFIKLNIJOU-VIFPVBQESA-N 0 0 313.785 3.385 10 5 DGBERN C[C@@H]1C[C@H](C)CCN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC000157800217 1100451538 /nfs/dbraw/zinc/45/15/38/1100451538.db2.gz XXMZMYJRQALUQS-NXEZZACHSA-N 0 0 312.316 3.381 10 5 DGBERN Cc1cc([N+](=O)[O-])cn(CC(=O)c2ccc(C(C)C)cc2)c1=O ZINC000096778406 185387259 /nfs/dbraw/zinc/38/72/59/185387259.db2.gz WDNZLEZCFSUJOM-UHFFFAOYSA-N 0 0 314.341 3.071 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000174010951 282167466 /nfs/dbraw/zinc/16/74/66/282167466.db2.gz XBNOYQULFZPEBQ-BDJLRTHQSA-N 0 0 311.341 3.131 10 5 DGBERN CC[C@@H](NC(=O)C[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000087369841 185222872 /nfs/dbraw/zinc/22/28/72/185222872.db2.gz JXOVVXGCUBDLPZ-HUUCEWRRSA-N 0 0 306.362 3.121 10 5 DGBERN Cc1cc([N+](=O)[O-])cn(CCCSCc2ccccc2)c1=O ZINC000090192557 185286410 /nfs/dbraw/zinc/28/64/10/185286410.db2.gz KMVOBQWXCSJXEV-UHFFFAOYSA-N 0 0 318.398 3.388 10 5 DGBERN CC[C@H](NC(=O)NCCCOC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090512047 185299758 /nfs/dbraw/zinc/29/97/58/185299758.db2.gz BQBYMKAWULWASV-HNNXBMFYSA-N 0 0 323.393 3.160 10 5 DGBERN CCCc1noc(CN[C@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000181525356 199310755 /nfs/dbraw/zinc/31/07/55/199310755.db2.gz BZJRIBLZOWBRFY-CYBMUJFWSA-N 0 0 304.350 3.171 10 5 DGBERN CN(Cc1cc2ccccc2o1)c1cc(CO)ccc1[N+](=O)[O-] ZINC000302026748 529981206 /nfs/dbraw/zinc/98/12/06/529981206.db2.gz 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305.313 3.114 10 5 DGBERN Cc1ccc(OCCN(C)c2ncc([N+](=O)[O-])cc2C)cc1 ZINC000111176639 194399420 /nfs/dbraw/zinc/39/94/20/194399420.db2.gz PJLHVGUOFJTLSW-UHFFFAOYSA-N 0 0 301.346 3.122 10 5 DGBERN Cc1ccccc1[C@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000056459799 184012620 /nfs/dbraw/zinc/01/26/20/184012620.db2.gz JWMSQCLRWCPICT-ZDUSSCGKSA-N 0 0 313.357 3.464 10 5 DGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(F)c(Cl)c1 ZINC000056353341 184011062 /nfs/dbraw/zinc/01/10/62/184011062.db2.gz GSTDYSPDNWPJCR-SSDOTTSWSA-N 0 0 312.684 3.471 10 5 DGBERN Cc1cc(C)c(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)c1 ZINC000060102833 184144330 /nfs/dbraw/zinc/14/43/30/184144330.db2.gz MISJQQFIBVNSCY-UHFFFAOYSA-N 0 0 324.336 3.316 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCOc2ccccc21 ZINC000067030619 184446418 /nfs/dbraw/zinc/44/64/18/184446418.db2.gz FQNJCHMEQFEOOG-HNNXBMFYSA-N 0 0 312.325 3.157 10 5 DGBERN CS[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000117224333 194803358 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COc1ccc([N+](=O)[O-])cc1C(=O)NC/C=C\c1ccccc1 ZINC000255889685 285184980 /nfs/dbraw/zinc/18/49/80/285184980.db2.gz JEEFOMULTWURRT-YVMONPNESA-N 0 0 312.325 3.047 10 5 DGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@H]1CC=CCC1 ZINC000444897005 533139631 /nfs/dbraw/zinc/13/96/31/533139631.db2.gz DWUIYZUGAWGXFS-LBPRGKRZSA-N 0 0 319.361 3.423 10 5 DGBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)COCc1ccccc1 ZINC000289038351 220642109 /nfs/dbraw/zinc/64/21/09/220642109.db2.gz ZARSPEXLMJBSSP-GFCCVEGCSA-N 0 0 318.377 3.137 10 5 DGBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1cccc(Cl)c1 ZINC000178148749 533298841 /nfs/dbraw/zinc/29/88/41/533298841.db2.gz AYTHVEMWHOYWGX-SECBINFHSA-N 0 0 319.748 3.321 10 5 DGBERN O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@H](n2cccn2)C1 ZINC000301196501 296499101 /nfs/dbraw/zinc/49/91/01/296499101.db2.gz UOCUPRRSXAJRJN-LBPRGKRZSA-N 0 0 306.753 3.286 10 5 DGBERN COC(=O)c1sccc1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000088494249 292042655 /nfs/dbraw/zinc/04/26/55/292042655.db2.gz 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/nfs/dbraw/zinc/27/15/25/400271525.db2.gz JAKQSMKJYUGIQD-JTQLQIEISA-N 0 0 319.748 3.177 10 5 DGBERN COc1cc(C(=O)NCc2csc(C)c2C)ccc1[N+](=O)[O-] ZINC000096555992 400275576 /nfs/dbraw/zinc/27/55/76/400275576.db2.gz AXZAUOFFSPGSPR-UHFFFAOYSA-N 0 0 320.370 3.212 10 5 DGBERN O=[N+]([O-])c1cc(Br)ncc1SC(F)(F)F ZINC000396149325 400281540 /nfs/dbraw/zinc/28/15/40/400281540.db2.gz IJAWZYUIBCGGSW-UHFFFAOYSA-N 0 0 303.059 3.364 10 5 DGBERN C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CCCO1 ZINC000029958658 400319288 /nfs/dbraw/zinc/31/92/88/400319288.db2.gz ISCJSCGYFXMSCK-JOYOIKCWSA-N 0 0 320.370 3.107 10 5 DGBERN O=[N+]([O-])[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1F ZINC000113877274 400382173 /nfs/dbraw/zinc/38/21/73/400382173.db2.gz JGEJNSUYFKBRNM-WBVHZDCISA-N 0 0 300.333 3.070 10 5 DGBERN O=[N+]([O-])c1ccccc1COc1cncc(Br)c1 ZINC000070486770 400353274 /nfs/dbraw/zinc/35/32/74/400353274.db2.gz XSIGWDFVTMAMDX-UHFFFAOYSA-N 0 0 309.119 3.331 10 5 DGBERN O=[N+]([O-])c1ccc(COc2cncc(Br)c2)cc1 ZINC000070486512 400353369 /nfs/dbraw/zinc/35/33/69/400353369.db2.gz OBNXFYBTXZJQPM-UHFFFAOYSA-N 0 0 309.119 3.331 10 5 DGBERN Cc1cc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000110450777 400356354 /nfs/dbraw/zinc/35/63/54/400356354.db2.gz IEJPRHWRRIKFLO-NVXWUHKLSA-N 0 0 310.353 3.437 10 5 DGBERN C[C@H]1C[C@@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000611518049 400414286 /nfs/dbraw/zinc/41/42/86/400414286.db2.gz FDITVEIGXRUBFP-KBPBESRZSA-N 0 0 304.390 3.374 10 5 DGBERN COC(=O)c1cccc(OC)c1Oc1ccccc1[N+](=O)[O-] ZINC000115904911 400402779 /nfs/dbraw/zinc/40/27/79/400402779.db2.gz KGMAZYOLFCZHKS-UHFFFAOYSA-N 0 0 303.270 3.182 10 5 DGBERN CC1(C)CC(OC(=O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)N1O ZINC000117567613 400418969 /nfs/dbraw/zinc/41/89/69/400418969.db2.gz XTIGNKARWVLRNV-UHFFFAOYSA-N 0 0 321.353 3.119 10 5 DGBERN COc1ccc2oc3ccc(-c4cncnc4)cc3c(=O)c2c1 ZINC000118748292 400431093 /nfs/dbraw/zinc/43/10/93/400431093.db2.gz MMYLZVKMMBIJQC-UHFFFAOYSA-N 0 0 304.305 3.412 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCc3ccc(F)c(F)c3C2)n1 ZINC000611617138 400429132 /nfs/dbraw/zinc/42/91/32/400429132.db2.gz JICVZMAVRPEBER-UHFFFAOYSA-N 0 0 319.311 3.448 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCc3cc(F)ccc3C2)n1 ZINC000611617353 400429207 /nfs/dbraw/zinc/42/92/07/400429207.db2.gz HQXXMOJIBXFIBB-UHFFFAOYSA-N 0 0 301.321 3.308 10 5 DGBERN C[C@@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000617746071 400444902 /nfs/dbraw/zinc/44/49/02/400444902.db2.gz YINKQISSFKVBQV-QWHCGFSZSA-N 0 0 313.357 3.013 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1)C1CC1 ZINC000043506577 400469683 /nfs/dbraw/zinc/46/96/83/400469683.db2.gz LMGPRYAMFRJACL-UHFFFAOYSA-N 0 0 311.341 3.103 10 5 DGBERN COc1cc(NCC[C@@H]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000612104522 400493133 /nfs/dbraw/zinc/49/31/33/400493133.db2.gz YBZYFXBDAMXHTM-GHMZBOCLSA-N 0 0 312.341 3.360 10 5 DGBERN C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CC=CCC1 ZINC000612404387 400540895 /nfs/dbraw/zinc/54/08/95/400540895.db2.gz UVWAIAGLFVAYHV-ZDUSSCGKSA-N 0 0 318.373 3.154 10 5 DGBERN Cc1sc(C(=O)Nc2cc(CO)ccc2C)cc1[N+](=O)[O-] ZINC000132179696 400556750 /nfs/dbraw/zinc/55/67/50/400556750.db2.gz NQFNZGWDQJAHQY-UHFFFAOYSA-N 0 0 306.343 3.018 10 5 DGBERN Cc1cnc(CCN(C)Cc2c(F)cccc2[N+](=O)[O-])s1 ZINC000157788696 400719874 /nfs/dbraw/zinc/71/98/74/400719874.db2.gz JMDOXQXDDPGNEC-UHFFFAOYSA-N 0 0 309.366 3.173 10 5 DGBERN Cc1csc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000161570437 400741655 /nfs/dbraw/zinc/74/16/55/400741655.db2.gz ZMRQMEKTDUIZAS-UHFFFAOYSA-N 0 0 302.315 3.093 10 5 DGBERN CC[C@@H]1CCCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000155748585 400704796 /nfs/dbraw/zinc/70/47/96/400704796.db2.gz IXQKNUBZTNCWBW-CYBMUJFWSA-N 0 0 306.362 3.155 10 5 DGBERN COc1ccc2nc(C(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000054277373 400816249 /nfs/dbraw/zinc/81/62/49/400816249.db2.gz FSIOFPQLKXONQY-UHFFFAOYSA-N 0 0 323.308 3.404 10 5 DGBERN CCCC[C@@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000171176004 400788590 /nfs/dbraw/zinc/78/85/90/400788590.db2.gz PPZNORYMFDNANJ-IUODEOHRSA-N 0 0 305.378 3.387 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCC(Nc3ccccc3F)CC2)nc1 ZINC000078370282 400794616 /nfs/dbraw/zinc/79/46/16/400794616.db2.gz GKLYKBYMPVUNGV-UHFFFAOYSA-N 0 0 316.336 3.210 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(NCc2ccc(O)c(F)c2)c1 ZINC000080657044 400974804 /nfs/dbraw/zinc/97/48/04/400974804.db2.gz BHRGKKYKWKCLDH-UHFFFAOYSA-N 0 0 310.256 3.199 10 5 DGBERN CCOc1cccc(NCCc2cccc(OC)n2)c1[N+](=O)[O-] ZINC000358281627 286019672 /nfs/dbraw/zinc/01/96/72/286019672.db2.gz RORWADVJQWHJAA-UHFFFAOYSA-N 0 0 317.345 3.052 10 5 DGBERN CC[C@H](N[C@@H](C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090068501 401253238 /nfs/dbraw/zinc/25/32/38/401253238.db2.gz VMHKOXGXELYNNT-FZMZJTMJSA-N 0 0 308.378 3.366 10 5 DGBERN COc1cc(CSCc2ccnc(C)n2)c([N+](=O)[O-])cc1F ZINC000359147631 286248374 /nfs/dbraw/zinc/24/83/74/286248374.db2.gz SPYCJABZYPFSSU-UHFFFAOYSA-N 0 0 323.349 3.274 10 5 DGBERN O=C1CCN1c1ccc(Nc2ncc(Cl)cc2[N+](=O)[O-])cc1 ZINC000359310357 286280576 /nfs/dbraw/zinc/28/05/76/286280576.db2.gz SBEQKUGLVHZBME-UHFFFAOYSA-N 0 0 318.720 3.124 10 5 DGBERN COc1ccc([N+](=O)[O-])c(N2CCC[C@]3(CCCOC3)C2)c1 ZINC000407987103 286382325 /nfs/dbraw/zinc/38/23/25/286382325.db2.gz OCQYXFONYGAGDV-INIZCTEOSA-N 0 0 306.362 3.000 10 5 DGBERN C[C@@H]1CC[C@H](C)N(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000408025023 296690175 /nfs/dbraw/zinc/69/01/75/296690175.db2.gz MQXKVHNKBWCNFR-MNOVXSKESA-N 0 0 301.346 3.337 10 5 DGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000361046872 286585031 /nfs/dbraw/zinc/58/50/31/286585031.db2.gz STIMMOBBAZGHJO-GOEBONIOSA-N 0 0 320.389 3.031 10 5 DGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000361046873 286585077 /nfs/dbraw/zinc/58/50/77/286585077.db2.gz STIMMOBBAZGHJO-HOCLYGCPSA-N 0 0 320.389 3.031 10 5 DGBERN Cc1cnn(C2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000363000832 286886503 /nfs/dbraw/zinc/88/65/03/286886503.db2.gz QIPSYPUEGONSMK-UHFFFAOYSA-N 0 0 304.325 3.080 10 5 DGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000173760526 164705905 /nfs/dbraw/zinc/70/59/05/164705905.db2.gz SVMUEXKXDIXOPN-GOSISDBHSA-N 0 0 314.385 3.486 10 5 DGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000173760510 164706692 /nfs/dbraw/zinc/70/66/92/164706692.db2.gz SVMUEXKXDIXOPN-SFHVURJKSA-N 0 0 314.385 3.486 10 5 DGBERN O=C(Nc1ccc(O)cc1F)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000183283806 164949677 /nfs/dbraw/zinc/94/96/77/164949677.db2.gz KCXNLTQCAYNZMB-UHFFFAOYSA-N 0 0 315.260 3.173 10 5 DGBERN CC(C)[C@H]1C[C@@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000185352271 165001886 /nfs/dbraw/zinc/00/18/86/165001886.db2.gz GIAIGMICKCLVOD-OLZOCXBDSA-N 0 0 314.345 3.216 10 5 DGBERN CC(C)[C@H]1C[C@H]1C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000186714087 165056647 /nfs/dbraw/zinc/05/66/47/165056647.db2.gz GLUFVMNBGLRONP-ZIAGYGMSSA-N 0 0 314.345 3.011 10 5 DGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000188525874 165126587 /nfs/dbraw/zinc/12/65/87/165126587.db2.gz DRSKXXHXAXEYSL-UHFFFAOYSA-N 0 0 323.352 3.107 10 5 DGBERN O=[N+]([O-])c1ccccc1CN1CCC(Nc2nccs2)CC1 ZINC000189955907 165184119 /nfs/dbraw/zinc/18/41/19/165184119.db2.gz JQNKUVFFYPPEOX-UHFFFAOYSA-N 0 0 318.402 3.128 10 5 DGBERN Cc1cccc2c1OCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000190128971 165190216 /nfs/dbraw/zinc/19/02/16/165190216.db2.gz QNARCSHSWUXVKG-LLVKDONJSA-N 0 0 318.354 3.218 10 5 DGBERN CCOc1cc(O)ccc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000191007095 165225453 /nfs/dbraw/zinc/22/54/53/165225453.db2.gz VOSMWDATMNCZGX-UHFFFAOYSA-N 0 0 322.342 3.321 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000194988796 165359210 /nfs/dbraw/zinc/35/92/10/165359210.db2.gz PIABRWFPPBWWSY-SECBINFHSA-N 0 0 319.748 3.443 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000195342829 165367304 /nfs/dbraw/zinc/36/73/04/165367304.db2.gz LPMHLKXOABNCGT-VIFPVBQESA-N 0 0 318.333 3.021 10 5 DGBERN Cc1ccc2c(c1)[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)C2 ZINC000182217042 432168786 /nfs/dbraw/zinc/16/87/86/432168786.db2.gz VUSKWHZREPJMDF-ORAYPTAESA-N 0 0 324.380 3.495 10 5 DGBERN C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000182294559 432175695 /nfs/dbraw/zinc/17/56/95/432175695.db2.gz WNTLBDMAOLDZDU-SNVBAGLBSA-N 0 0 318.304 3.313 10 5 DGBERN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[C@@H]1C(F)(F)F ZINC000190709448 432183331 /nfs/dbraw/zinc/18/33/31/432183331.db2.gz VOKZBMMYTRJHCO-VIFPVBQESA-N 0 0 320.267 3.238 10 5 DGBERN CC(C)C[C@H](CO)N(C)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000190807731 432190415 /nfs/dbraw/zinc/19/04/15/432190415.db2.gz DZZYQBLHQBNOTI-CQSZACIVSA-N 0 0 322.405 3.197 10 5 DGBERN CCN(CCc1nccs1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000131525131 196176860 /nfs/dbraw/zinc/17/68/60/196176860.db2.gz WNBKLMBBQOTSBP-UHFFFAOYSA-N 0 0 319.386 3.065 10 5 DGBERN COc1cc(NC[C@H](O)c2cccc(C)c2)c([N+](=O)[O-])cc1F ZINC000132550401 196264267 /nfs/dbraw/zinc/26/42/67/196264267.db2.gz ZTDTVZCNNIPMCS-HNNXBMFYSA-N 0 0 320.320 3.196 10 5 DGBERN CC(C)=C(F)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000133891845 196343568 /nfs/dbraw/zinc/34/35/68/196343568.db2.gz BQCHYTZIXJALCP-UHFFFAOYSA-N 0 0 322.336 3.228 10 5 DGBERN CSCC[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000134362345 196382155 /nfs/dbraw/zinc/38/21/55/196382155.db2.gz IYTOCJIQRFGFOM-QMMMGPOBSA-N 0 0 302.421 3.178 10 5 DGBERN O=C1CCc2cc([N+](=O)[O-])c(NCCC3=CCCC3)cc2N1 ZINC000157438363 228234058 /nfs/dbraw/zinc/23/40/58/228234058.db2.gz PIFZTNRGNMUVLL-UHFFFAOYSA-N 0 0 301.346 3.392 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H](C(C)C)CC2)n1 ZINC000191713363 228531431 /nfs/dbraw/zinc/53/14/31/228531431.db2.gz NSAWPHCTNMTXNH-QWHCGFSZSA-N 0 0 322.409 3.146 10 5 DGBERN Cc1ccc([C@H](C)Nc2ccc3ncc([N+](=O)[O-])n3n2)cc1F ZINC000301968027 230010129 /nfs/dbraw/zinc/01/01/29/230010129.db2.gz PDPXCAVZEWIDEX-JTQLQIEISA-N 0 0 315.308 3.258 10 5 DGBERN Cc1cc(Nc2ccc(F)cc2[N+](=O)[O-])ccc1OCCO ZINC000302066141 230074542 /nfs/dbraw/zinc/07/45/42/230074542.db2.gz AXLFCUVDOUIAME-UHFFFAOYSA-N 0 0 306.293 3.157 10 5 DGBERN Cc1cc(NCCC2(C)OCCO2)c(Cl)cc1[N+](=O)[O-] ZINC000302150809 230126102 /nfs/dbraw/zinc/12/61/02/230126102.db2.gz KFPBMFVCLBSYHO-UHFFFAOYSA-N 0 0 300.742 3.122 10 5 DGBERN O=[N+]([O-])c1cnc(N2CCC([C@H]3CCCO3)CC2)c(Cl)c1 ZINC000302584832 230309598 /nfs/dbraw/zinc/30/95/98/230309598.db2.gz UYBVYXMCJBRGKX-CYBMUJFWSA-N 0 0 311.769 3.039 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000194805637 263820790 /nfs/dbraw/zinc/82/07/90/263820790.db2.gz XWPPEDWCUCUQRY-WBMJQRKESA-N 0 0 320.389 3.228 10 5 DGBERN CC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)ccc1F ZINC000355981212 266247404 /nfs/dbraw/zinc/24/74/04/266247404.db2.gz LAVAWCUNLQSBSS-UHFFFAOYSA-N 0 0 316.288 3.497 10 5 DGBERN COc1ccccc1CN(C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000045128654 270950533 /nfs/dbraw/zinc/95/05/33/270950533.db2.gz AAMQIMICEJOEFU-UHFFFAOYSA-N 0 0 320.370 3.246 10 5 DGBERN C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@H](C)[C@@H](C)O1 ZINC000408442729 278804798 /nfs/dbraw/zinc/80/47/98/278804798.db2.gz KYBYVGIEJKAVLG-IJLUTSLNSA-N 0 0 301.346 3.145 10 5 DGBERN Cc1cn2c(n1)CC[C@H](Nc1ccc3ncccc3c1[N+](=O)[O-])C2 ZINC000112078599 431245482 /nfs/dbraw/zinc/24/54/82/431245482.db2.gz CNQDHIBFSJMKCJ-LBPRGKRZSA-N 0 0 323.356 3.075 10 5 DGBERN CCCC(=O)Nc1c(C)cc(Br)cc1[N+](=O)[O-] ZINC000071973491 431322606 /nfs/dbraw/zinc/32/26/06/431322606.db2.gz MISFQOYTYFBWAC-UHFFFAOYSA-N 0 0 301.140 3.404 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1COc2ccccc21 ZINC000113025410 431326405 /nfs/dbraw/zinc/32/64/05/431326405.db2.gz RUMOZBREOMADIW-IAQYHMDHSA-N 0 0 324.336 3.049 10 5 DGBERN Cc1c(NCC(=O)Nc2ccccc2F)cccc1[N+](=O)[O-] ZINC000007975202 431374405 /nfs/dbraw/zinc/37/44/05/431374405.db2.gz KOGSLCVVYIYXJC-UHFFFAOYSA-N 0 0 303.293 3.093 10 5 DGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1ccco1 ZINC000116048262 431483112 /nfs/dbraw/zinc/48/31/12/431483112.db2.gz OXQMUGUATZFIJP-CQSZACIVSA-N 0 0 300.314 3.094 10 5 DGBERN COc1cc(C(=O)N2CCC[C@@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000116045703 431483268 /nfs/dbraw/zinc/48/32/68/431483268.db2.gz QZUHQYHESPMTTK-GFCCVEGCSA-N 0 0 316.313 3.174 10 5 DGBERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000117585929 431570623 /nfs/dbraw/zinc/57/06/23/431570623.db2.gz BDGSQKZLJKRPDJ-BDJLRTHQSA-N 0 0 312.325 3.122 10 5 DGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000014575397 431592837 /nfs/dbraw/zinc/59/28/37/431592837.db2.gz FKXYXPPMELUZGI-VIFPVBQESA-N 0 0 306.268 3.364 10 5 DGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@]2(CCCOC2)C1 ZINC000408402531 280358917 /nfs/dbraw/zinc/35/89/17/280358917.db2.gz OEXCPCLGZRKREV-CQSZACIVSA-N 0 0 311.769 3.040 10 5 DGBERN C[C@H](Nc1ccccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000025372642 431654365 /nfs/dbraw/zinc/65/43/65/431654365.db2.gz STLZRZHEVMCPLB-LBPRGKRZSA-N 0 0 309.329 3.349 10 5 DGBERN Cc1cc(NC(=O)c2cccnc2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000161727847 280622462 /nfs/dbraw/zinc/62/24/62/280622462.db2.gz WSGGKDLOBDPNFE-UHFFFAOYSA-N 0 0 322.324 3.407 10 5 DGBERN Cc1noc(CCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000122947988 431849869 /nfs/dbraw/zinc/84/98/69/431849869.db2.gz OEUHTUUUZKMYML-UHFFFAOYSA-N 0 0 317.132 3.248 10 5 DGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@H]1CCC[C@@H]1O ZINC000089167732 431861108 /nfs/dbraw/zinc/86/11/08/431861108.db2.gz AWFDWXSEZAMMRS-PELKAZGASA-N 0 0 304.268 3.187 10 5 DGBERN CCc1cc(C)c(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)o1 ZINC000089204806 431861238 /nfs/dbraw/zinc/86/12/38/431861238.db2.gz IFBGXPRCPRMWFX-UHFFFAOYSA-N 0 0 314.301 3.187 10 5 DGBERN CC(C)(C)c1nc(Sc2ncc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000122597943 431839700 /nfs/dbraw/zinc/83/97/00/431839700.db2.gz MPROPBRRYDKPGT-UHFFFAOYSA-N 0 0 313.770 3.210 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1OCc1nnc(-c2ccccc2)n1C ZINC000089684482 431874623 /nfs/dbraw/zinc/87/46/23/431874623.db2.gz VHBUJYIGAAGHLB-UHFFFAOYSA-N 0 0 324.340 3.278 10 5 DGBERN CCOC[C@H](C)Nc1ccc([N+](=O)[O-])cc1Br ZINC000044725932 431876779 /nfs/dbraw/zinc/87/67/79/431876779.db2.gz DNQGPOZWFUNLOQ-QMMMGPOBSA-N 0 0 303.156 3.194 10 5 DGBERN CN(CCc1ccc(F)cc1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000123875558 431876839 /nfs/dbraw/zinc/87/68/39/431876839.db2.gz NMBSRPJAPUPQTP-UHFFFAOYSA-N 0 0 320.295 3.188 10 5 DGBERN Cc1c(Oc2ncncc2Br)cccc1[N+](=O)[O-] ZINC000090782998 431894981 /nfs/dbraw/zinc/89/49/81/431894981.db2.gz BYUAUPVAVSJDCT-UHFFFAOYSA-N 0 0 310.107 3.248 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)CC[C@H]1C ZINC000091901079 431906016 /nfs/dbraw/zinc/90/60/16/431906016.db2.gz OIOBFNYHGZXTQD-GHMZBOCLSA-N 0 0 307.350 3.256 10 5 DGBERN COC(=O)CCCCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000051448994 431952210 /nfs/dbraw/zinc/95/22/10/431952210.db2.gz FWYTWWKWRLYRJV-UHFFFAOYSA-N 0 0 300.742 3.394 10 5 DGBERN Cc1cccc(CNc2ncc(Br)cc2[N+](=O)[O-])n1 ZINC000051576885 431952233 /nfs/dbraw/zinc/95/22/33/431952233.db2.gz BIQAAJHRLNXWCW-UHFFFAOYSA-N 0 0 323.150 3.068 10 5 DGBERN COc1cc(OC)cc(Oc2ccc([N+](=O)[O-])cc2C=O)c1 ZINC000098179811 431980358 /nfs/dbraw/zinc/98/03/58/431980358.db2.gz QNRPUYIPJQFJKZ-UHFFFAOYSA-N 0 0 303.270 3.217 10 5 DGBERN CC(C)c1csc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000052772758 431958413 /nfs/dbraw/zinc/95/84/13/431958413.db2.gz PERNEKNEQFEKKU-UHFFFAOYSA-N 0 0 305.359 3.356 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000052895513 431959334 /nfs/dbraw/zinc/95/93/34/431959334.db2.gz VMPGJQPZUOHFKA-IUODEOHRSA-N 0 0 303.362 3.093 10 5 DGBERN CN(CCc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000056502150 431988037 /nfs/dbraw/zinc/98/80/37/431988037.db2.gz NWXOIXWEVHTGID-UHFFFAOYSA-N 0 0 317.320 3.440 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H](c2ccccc2)C1 ZINC000183251664 432275155 /nfs/dbraw/zinc/27/51/55/432275155.db2.gz RJOGRVRJDXWSHY-GOSISDBHSA-N 0 0 312.369 3.477 10 5 DGBERN O=C(c1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1c1nccs1 ZINC000173381720 432275995 /nfs/dbraw/zinc/27/59/95/432275995.db2.gz VYYLIORPSLMUBK-CYBMUJFWSA-N 0 0 317.370 3.419 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1CNc1nncn1-c1ccccc1 ZINC000191581951 432279885 /nfs/dbraw/zinc/27/98/85/432279885.db2.gz BQPFPQXHUZNDQP-UHFFFAOYSA-N 0 0 309.329 3.096 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C)cccc2Cl)n1 ZINC000191644168 432285725 /nfs/dbraw/zinc/28/57/25/432285725.db2.gz UECHMKZCNOFJII-UHFFFAOYSA-N 0 0 308.725 3.025 10 5 DGBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128478926 431994994 /nfs/dbraw/zinc/99/49/94/431994994.db2.gz LNRQPIAFLUPQAO-CJNGLKHVSA-N 0 0 324.808 3.375 10 5 DGBERN CCCc1[nH]nc(C(=O)Nc2ccc(C)c(CC)c2)c1[N+](=O)[O-] ZINC000183199264 432268113 /nfs/dbraw/zinc/26/81/13/432268113.db2.gz VOEDSRYELZDDBH-UHFFFAOYSA-N 0 0 316.361 3.394 10 5 DGBERN CCC1(CC)CN([C@H](C)c2cccc([N+](=O)[O-])c2)CC[S@]1=O ZINC000249031180 432334368 /nfs/dbraw/zinc/33/43/68/432334368.db2.gz SODIKGVFIGFHSP-MCMMXHMISA-N 0 0 324.446 3.279 10 5 DGBERN Cc1cc(N[C@H](C)COCc2ccccc2)ncc1[N+](=O)[O-] ZINC000173916940 432308224 /nfs/dbraw/zinc/30/82/24/432308224.db2.gz OXXJPSUTTWUZHF-CYBMUJFWSA-N 0 0 301.346 3.315 10 5 DGBERN CCc1[nH]nc(C(=O)Nc2ccc(C)c(CC)c2)c1[N+](=O)[O-] ZINC000183609005 432308666 /nfs/dbraw/zinc/30/86/66/432308666.db2.gz MSDZINDIEFLAGL-UHFFFAOYSA-N 0 0 302.334 3.003 10 5 DGBERN CCc1noc(C)c1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000153102929 432383268 /nfs/dbraw/zinc/38/32/68/432383268.db2.gz KXISTRBYKQSMGM-UHFFFAOYSA-N 0 0 320.305 3.106 10 5 DGBERN CCCC[C@@H](Nc1ncc([N+](=O)[O-])s1)C(=O)OC(C)(C)C ZINC000192531192 432385567 /nfs/dbraw/zinc/38/55/67/432385567.db2.gz RUZMFEGAWAYOFO-SECBINFHSA-N 0 0 315.395 3.364 10 5 DGBERN COc1ccccc1[C@H](O)CNc1ccc([N+](=O)[O-])cc1C ZINC000175010365 432389173 /nfs/dbraw/zinc/38/91/73/432389173.db2.gz NZCVWESAZYZNAM-OAHLLOKOSA-N 0 0 302.330 3.057 10 5 DGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C)CCC1 ZINC000175108655 432398473 /nfs/dbraw/zinc/39/84/73/432398473.db2.gz XXHIBKRFPROVQD-NSHDSACASA-N 0 0 308.403 3.382 10 5 DGBERN CC[C@@H](NC(=O)Cc1cccc(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000175457880 432437892 /nfs/dbraw/zinc/43/78/92/432437892.db2.gz ALPJNWSGRMMQTP-MRXNPFEDSA-N 0 0 314.341 3.110 10 5 DGBERN Cc1ccc(-n2cnnn2)cc1N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000192765126 432411724 /nfs/dbraw/zinc/41/17/24/432411724.db2.gz PCIRLXRTQRRHDU-LBPRGKRZSA-N 0 0 324.344 3.052 10 5 DGBERN COC(=O)c1cnc(/C=C\c2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000255670636 432412398 /nfs/dbraw/zinc/41/23/98/432412398.db2.gz CALXRGGJZLOAFL-XQRVVYSFSA-N 0 0 320.326 3.017 10 5 DGBERN CC[C@H](NC(=O)NCc1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC000175992938 432484915 /nfs/dbraw/zinc/48/49/15/432484915.db2.gz MPYFANMZHIEFFM-AWEZNQCLSA-N 0 0 303.318 3.138 10 5 DGBERN CCC1CCC(NC(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000193968596 432513891 /nfs/dbraw/zinc/51/38/91/432513891.db2.gz CZHOXXZBWDSGOB-UHFFFAOYSA-N 0 0 306.362 3.302 10 5 DGBERN Cc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000194068413 432522191 /nfs/dbraw/zinc/52/21/91/432522191.db2.gz SNZZKVDCIIBFID-NSHDSACASA-N 0 0 316.279 3.318 10 5 DGBERN CC(C)[C@H]1C[C@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000185780075 432532413 /nfs/dbraw/zinc/53/24/13/432532413.db2.gz RHSGHMROWWAFKJ-HUUCEWRRSA-N 0 0 302.374 3.378 10 5 DGBERN CC(=O)c1c(C)cccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000157656054 432627547 /nfs/dbraw/zinc/62/75/47/432627547.db2.gz VMIHCPMNAFYEQY-UHFFFAOYSA-N 0 0 304.327 3.420 10 5 DGBERN CCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)C1CCC1 ZINC000158696607 432654618 /nfs/dbraw/zinc/65/46/18/432654618.db2.gz FNMNYFOFAZRDOG-OAHLLOKOSA-N 0 0 305.378 3.387 10 5 DGBERN Cc1ccc([C@H]2CN(Cc3cccc([N+](=O)[O-])c3C)CCO2)o1 ZINC000158827854 432659037 /nfs/dbraw/zinc/65/90/37/432659037.db2.gz ZBIRUGCAIIVDBU-QGZVFWFLSA-N 0 0 316.357 3.378 10 5 DGBERN CC[C@@H](NC(=O)CSC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000177799447 432663467 /nfs/dbraw/zinc/66/34/67/432663467.db2.gz VISSAYLNGGACPS-SNVBAGLBSA-N 0 0 322.308 3.415 10 5 DGBERN CCC[C@H](Nc1cc(C)c([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000159986141 432703802 /nfs/dbraw/zinc/70/38/02/432703802.db2.gz ZFAGKPAREOWCLM-NSHDSACASA-N 0 0 309.366 3.221 10 5 DGBERN Cc1nc(N[C@H](C)COCc2ccccc2)ccc1[N+](=O)[O-] ZINC000178050877 432689934 /nfs/dbraw/zinc/68/99/34/432689934.db2.gz SEZCFGSBSAUIMK-GFCCVEGCSA-N 0 0 301.346 3.315 10 5 DGBERN CC[C@@H](N[C@@H](C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178673992 432764871 /nfs/dbraw/zinc/76/48/71/432764871.db2.gz VMHKOXGXELYNNT-SMDDNHRTSA-N 0 0 308.378 3.366 10 5 DGBERN CO[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[C@H]1C ZINC000189334166 432777767 /nfs/dbraw/zinc/77/77/67/432777767.db2.gz VRECYKDYMWPNBZ-DYVFJYSZSA-N 0 0 322.405 3.239 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]2Cn2ccnc2)c(Cl)c1 ZINC000267345360 432833956 /nfs/dbraw/zinc/83/39/56/432833956.db2.gz FKYNBSPOIFYGHK-GFCCVEGCSA-N 0 0 306.753 3.114 10 5 DGBERN C[C@H]1COCC[C@@H]1Nc1cc(Br)ccc1[N+](=O)[O-] ZINC000277631117 432866229 /nfs/dbraw/zinc/86/62/29/432866229.db2.gz MZASRBBSISLXCI-WPRPVWTQSA-N 0 0 315.167 3.194 10 5 DGBERN COc1cc(N2CCO[C@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000268391363 432868141 /nfs/dbraw/zinc/86/81/41/432868141.db2.gz MJOSUMWFCDKFMX-AWEZNQCLSA-N 0 0 320.370 3.243 10 5 DGBERN O=[N+]([O-])c1cc(F)ccc1N1CCO[C@@H](c2cccs2)C1 ZINC000268402530 432868913 /nfs/dbraw/zinc/86/89/13/432868913.db2.gz QKPSICYWEZWLMU-CYBMUJFWSA-N 0 0 308.334 3.373 10 5 DGBERN CC1(C)C[C@H]1NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454300521 433363960 /nfs/dbraw/zinc/36/39/60/433363960.db2.gz ZGHDYHMPZMEYNJ-DZGCQCFKSA-N 0 0 317.389 3.282 10 5 DGBERN CC1(C)C[C@H]1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454300522 433365345 /nfs/dbraw/zinc/36/53/45/433365345.db2.gz ZGHDYHMPZMEYNJ-UKRRQHHQSA-N 0 0 317.389 3.282 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H](n3cccn3)C2)c(Cl)c1 ZINC000301150868 433431768 /nfs/dbraw/zinc/43/17/68/433431768.db2.gz DBLBJQAMABVGSG-GFCCVEGCSA-N 0 0 306.753 3.286 10 5 DGBERN COC(=O)c1cc(N[C@H]2C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301113331 433421512 /nfs/dbraw/zinc/42/15/12/433421512.db2.gz LEGBCAUZLOTPHR-HIFRSBDPSA-N 0 0 312.325 3.349 10 5 DGBERN CC(=O)c1cc(N2CC[C@]3(C)[C@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000292049889 433441168 /nfs/dbraw/zinc/44/11/68/433441168.db2.gz VXZZASGSFLMJCL-UONOGXRCSA-N 0 0 310.300 3.279 10 5 DGBERN O=[N+]([O-])c1c(NC/C=C/c2ccccc2)nc2sccn21 ZINC000301242831 433466951 /nfs/dbraw/zinc/46/69/51/433466951.db2.gz OVAWORNTHYVBFY-QPJJXVBHSA-N 0 0 300.343 3.429 10 5 DGBERN C[C@@H](Cc1cccs1)N(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000301492236 433579877 /nfs/dbraw/zinc/57/98/77/433579877.db2.gz OZXSILLKEGPVDO-VIFPVBQESA-N 0 0 322.415 3.433 10 5 DGBERN CCOc1ccc(C(=O)N2CCC3(CCC3)CC2)cc1[N+](=O)[O-] ZINC000375857238 433594472 /nfs/dbraw/zinc/59/44/72/433594472.db2.gz MXDRUIZBLXIJOS-UHFFFAOYSA-N 0 0 318.373 3.400 10 5 DGBERN COC(=O)C(C)(C)C(C)(C)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000301547104 433607826 /nfs/dbraw/zinc/60/78/26/433607826.db2.gz FMXVSMGSPSEPLO-UHFFFAOYSA-N 0 0 322.361 3.187 10 5 DGBERN O=C(Nc1cccc2c1OCCC2)c1ccc([N+](=O)[O-])cc1F ZINC000366169801 292921082 /nfs/dbraw/zinc/92/10/82/292921082.db2.gz DRDGCPXTGKLAAV-UHFFFAOYSA-N 0 0 316.288 3.311 10 5 DGBERN CC(C)[C@H](O)CCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000301658598 433662498 /nfs/dbraw/zinc/66/24/98/433662498.db2.gz IPEVEGQGUXPXQY-GFCCVEGCSA-N 0 0 317.183 3.176 10 5 DGBERN C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000301669557 433666495 /nfs/dbraw/zinc/66/64/95/433666495.db2.gz YIOHLWIUHSIHHX-LBPRGKRZSA-N 0 0 309.329 3.349 10 5 DGBERN C[C@H]1C[C@H](c2ccccc2)N(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000376236017 433699124 /nfs/dbraw/zinc/69/91/24/433699124.db2.gz ABADGWRYCQQGKF-GXTWGEPZSA-N 0 0 323.356 3.225 10 5 DGBERN Cc1nc(NCc2cccc(-c3cnn(C)c3)c2)ccc1[N+](=O)[O-] ZINC000301863403 433766726 /nfs/dbraw/zinc/76/67/26/433766726.db2.gz GLHLGSWPNUEWLW-UHFFFAOYSA-N 0 0 323.356 3.311 10 5 DGBERN O=[N+]([O-])c1cccc(F)c1CN1CCN(c2ccccc2)CC1 ZINC000505597533 294243856 /nfs/dbraw/zinc/24/38/56/294243856.db2.gz RQIBSWPAWKLCTQ-UHFFFAOYSA-N 0 0 315.348 3.056 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@H](CO)CC2CCCC2)c2ccncc21 ZINC000509528815 294355461 /nfs/dbraw/zinc/35/54/61/294355461.db2.gz WQRWLKXPKZYROE-ZDUSSCGKSA-N 0 0 315.373 3.496 10 5 DGBERN Cn1c2ccccc2nc1[C@@H]1CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000450372901 434135197 /nfs/dbraw/zinc/13/51/97/434135197.db2.gz BENPEVFJMXKGFV-HNNXBMFYSA-N 0 0 323.356 3.218 10 5 DGBERN CC(=O)c1cc(NCCCC2CCOCC2)ccc1[N+](=O)[O-] ZINC000450553619 434263942 /nfs/dbraw/zinc/26/39/42/434263942.db2.gz KFMQQQQCLOHCCV-UHFFFAOYSA-N 0 0 306.362 3.416 10 5 DGBERN O=[N+]([O-])c1cnc2ccccc2c1NCCOCc1ccccc1 ZINC000390072849 434357884 /nfs/dbraw/zinc/35/78/84/434357884.db2.gz NTQNGDGTWCAQSQ-UHFFFAOYSA-N 0 0 323.352 3.194 10 5 DGBERN C[C@@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000408109860 434543403 /nfs/dbraw/zinc/54/34/03/434543403.db2.gz ZQKPZYRYMZQIPQ-HQJQHLMTSA-N 0 0 305.161 3.109 10 5 DGBERN C[C@@H](O)CCSc1ccc(Br)cc1[N+](=O)[O-] ZINC000439281639 434586039 /nfs/dbraw/zinc/58/60/39/434586039.db2.gz GPHBDSNMXMOUPM-SSDOTTSWSA-N 0 0 306.181 3.220 10 5 DGBERN COc1cccc(N2CC[C@H](C(F)(F)F)[C@H]2C)c1[N+](=O)[O-] ZINC000480556233 295305953 /nfs/dbraw/zinc/30/59/53/295305953.db2.gz QGSNMPFVRVCHQL-BDAKNGLRSA-N 0 0 304.268 3.381 10 5 DGBERN Nc1ccc([N+](=O)[O-])c(N2CCc3[nH]c4ccccc4c3C2)c1 ZINC000192769810 295356717 /nfs/dbraw/zinc/35/67/17/295356717.db2.gz QSEVYKCEHSNVTN-UHFFFAOYSA-N 0 0 308.341 3.221 10 5 DGBERN Nc1cccc2c1CCN(c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000038032946 295364367 /nfs/dbraw/zinc/36/43/67/295364367.db2.gz XIDAPGMGESGBLY-UHFFFAOYSA-N 0 0 303.749 3.393 10 5 DGBERN COc1cc(CN(C)c2c(F)cccc2[N+](=O)[O-])cc(OC)c1 ZINC000553331195 434886285 /nfs/dbraw/zinc/88/62/85/434886285.db2.gz ZIKCNMCDNLHBJP-UHFFFAOYSA-N 0 0 320.320 3.388 10 5 DGBERN COC(=O)c1cc([N+](=O)[O-])c(C(F)(F)F)c(C(F)(F)F)c1 ZINC000575381153 435032922 /nfs/dbraw/zinc/03/29/22/435032922.db2.gz YIBXCIVEALVFNM-UHFFFAOYSA-N 0 0 317.141 3.419 10 5 DGBERN COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1C(F)(F)F ZINC000575380767 435033105 /nfs/dbraw/zinc/03/31/05/435033105.db2.gz RMLXTUHOMAQBDL-UHFFFAOYSA-N 0 0 317.141 3.419 10 5 DGBERN CCOc1cc([N+](=O)[O-])c(OC(F)(F)F)cc1OC(F)F ZINC000575655811 435039357 /nfs/dbraw/zinc/03/93/57/435039357.db2.gz BEZRFKYAGSBTII-UHFFFAOYSA-N 0 0 317.166 3.494 10 5 DGBERN COc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1OC(F)F ZINC000575668369 435041614 /nfs/dbraw/zinc/04/16/14/435041614.db2.gz VMFNESTVOZBJLV-UHFFFAOYSA-N 0 0 303.139 3.103 10 5 DGBERN CC(=O)c1c(OC(F)F)cc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575668327 435041694 /nfs/dbraw/zinc/04/16/94/435041694.db2.gz VBCWPRJNSILYLV-UHFFFAOYSA-N 0 0 315.150 3.297 10 5 DGBERN CC(=O)c1cc([N+](=O)[O-])cc(OC(F)F)c1Br ZINC000575682811 435043861 /nfs/dbraw/zinc/04/38/61/435043861.db2.gz CTHDRHWLXXRQFV-UHFFFAOYSA-N 0 0 310.050 3.161 10 5 DGBERN CC(=O)c1cc(Br)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575682930 435044328 /nfs/dbraw/zinc/04/43/28/435044328.db2.gz GQQHNPWWKAPRDY-UHFFFAOYSA-N 0 0 310.050 3.161 10 5 DGBERN COc1cc(Br)c([N+](=O)[O-])c(Br)c1 ZINC000575693710 435044934 /nfs/dbraw/zinc/04/49/34/435044934.db2.gz BQVNCDRJCMYIPI-UHFFFAOYSA-N 0 0 310.929 3.128 10 5 DGBERN CCOC(=O)Cc1cc(Br)c([N+](=O)[O-])cc1CC ZINC000575699015 435046823 /nfs/dbraw/zinc/04/68/23/435046823.db2.gz AHNQVWFXOBGYLA-UHFFFAOYSA-N 0 0 316.151 3.025 10 5 DGBERN CCOC(=O)Cc1cc(Cl)c(Br)cc1[N+](=O)[O-] ZINC000575699871 435047676 /nfs/dbraw/zinc/04/76/76/435047676.db2.gz MCVSFLWRLUTUHV-UHFFFAOYSA-N 0 0 322.542 3.116 10 5 DGBERN CCOC(=O)Cc1c(Cl)ccc([N+](=O)[O-])c1Br ZINC000575699662 435048048 /nfs/dbraw/zinc/04/80/48/435048048.db2.gz JZCDKPMQTDUJFA-UHFFFAOYSA-N 0 0 322.542 3.116 10 5 DGBERN CCOC(=O)c1c(Cl)cc(Br)cc1[N+](=O)[O-] ZINC000575700930 435048411 /nfs/dbraw/zinc/04/84/11/435048411.db2.gz ZGXPLJYIPJQOHK-UHFFFAOYSA-N 0 0 308.515 3.187 10 5 DGBERN CSc1c(I)ccc(F)c1[N+](=O)[O-] ZINC000575706967 435049313 /nfs/dbraw/zinc/04/93/13/435049313.db2.gz DBRHHXASTRTUDU-UHFFFAOYSA-N 0 0 313.091 3.060 10 5 DGBERN CS[C@H](C)CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000570856748 435656396 /nfs/dbraw/zinc/65/63/96/435656396.db2.gz FLEAYFGQIRZIHL-SSDOTTSWSA-N 0 0 322.308 3.095 10 5 DGBERN CC1(C)CCCC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000572543891 435837700 /nfs/dbraw/zinc/83/77/00/435837700.db2.gz UZXTZYDSFCAMHG-OAHLLOKOSA-N 0 0 320.389 3.306 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@]3(CCCOC3)C2)n1 ZINC000408172178 301204151 /nfs/dbraw/zinc/20/41/51/301204151.db2.gz SYBLRHSQZDFDKW-INIZCTEOSA-N 0 0 305.378 3.004 10 5 DGBERN Cn1cnc([N+](=O)[O-])c1N1CCCC[C@H]1c1ccc(F)cc1 ZINC000267292281 303020395 /nfs/dbraw/zinc/02/03/95/303020395.db2.gz RQHMYRIJDAKVPL-ZDUSSCGKSA-N 0 0 304.325 3.199 10 5 DGBERN COc1cc(C(=O)N(C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000133427037 312668009 /nfs/dbraw/zinc/66/80/09/312668009.db2.gz VDFLZFGRFWCGRZ-UHFFFAOYSA-N 0 0 318.304 3.015 10 5 DGBERN O=C(NC/C=C/c1ccccc1)NCc1ccccc1[N+](=O)[O-] ZINC000171850087 312732410 /nfs/dbraw/zinc/73/24/10/312732410.db2.gz GWHUUNCHLWNPEQ-RMKNXTFCSA-N 0 0 311.341 3.107 10 5 DGBERN CN(C[C@@H]1CC=CCC1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000541331054 314008563 /nfs/dbraw/zinc/00/85/63/314008563.db2.gz WHFWDIINWCDGJU-CYBMUJFWSA-N 0 0 303.362 3.093 10 5 DGBERN CO[C@H](c1ccc(F)cc1)[C@@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000557154392 314798127 /nfs/dbraw/zinc/79/81/27/314798127.db2.gz BQFZQIPTSBKFIC-BMIGLBTASA-N 0 0 305.309 3.317 10 5 DGBERN CC[C@H]1CCCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000565791746 315288003 /nfs/dbraw/zinc/28/80/03/315288003.db2.gz GHIBAFDIDBHKRX-LBPRGKRZSA-N 0 0 321.377 3.101 10 5 DGBERN COC(=O)[C@H](C)c1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000584595674 337374100 /nfs/dbraw/zinc/37/41/00/337374100.db2.gz XMEHVOKTMYHGOZ-SNVBAGLBSA-N 0 0 301.302 3.010 10 5 DGBERN COC(=O)c1cc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000302134610 533851424 /nfs/dbraw/zinc/85/14/24/533851424.db2.gz CXEWTJSZCUIVLC-CORIIIEPSA-N 0 0 318.373 3.396 10 5 DGBERN COC(=O)c1ccc(F)c(CNc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000302204168 534169135 /nfs/dbraw/zinc/16/91/35/534169135.db2.gz WICLURBVLKJYAY-UHFFFAOYSA-N 0 0 322.267 3.272 10 5 DGBERN CN(C)c1cccc(CN(C)c2ncc([N+](=O)[O-])cc2Cl)c1 ZINC000154710382 522266220 /nfs/dbraw/zinc/26/62/20/522266220.db2.gz JRXHFTSAGKFLBW-UHFFFAOYSA-N 0 0 320.780 3.346 10 5 DGBERN Cc1cc(Cl)c([N+](=O)[O-])c(=O)n1Cc1cccc(Cl)c1 ZINC000095098126 524850825 /nfs/dbraw/zinc/85/08/25/524850825.db2.gz KAIKNOBMKKCCCD-UHFFFAOYSA-N 0 0 313.140 3.420 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC2(CCCCC2)C1 ZINC000174461098 525558368 /nfs/dbraw/zinc/55/83/68/525558368.db2.gz CTTJGWRZZCZIHI-UHFFFAOYSA-N 0 0 318.373 3.079 10 5 DGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000488443299 534879962 /nfs/dbraw/zinc/87/99/62/534879962.db2.gz GMZCGCDBKWQJPH-KGLIPLIRSA-N 0 0 310.300 3.279 10 5 DGBERN CC(C)(NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(F)(F)F ZINC000294389869 527283234 /nfs/dbraw/zinc/28/32/34/527283234.db2.gz JNINEHXOJWEDIR-UHFFFAOYSA-N 0 0 310.659 3.319 10 5 DGBERN C/C(=C/c1nc([C@@H]2CCCOC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445528269 527509926 /nfs/dbraw/zinc/50/99/26/527509926.db2.gz KXRXWZNUFPNEFF-PRWOLLLXSA-N 0 0 315.329 3.432 10 5 DGBERN CCCN(C(=O)[C@@H]1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000194134452 527776688 /nfs/dbraw/zinc/77/66/88/527776688.db2.gz CFQVKXCPEATWLS-SWLSCSKDSA-N 0 0 306.362 3.010 10 5 DGBERN CCC1(CC)CN(c2ccc(C)cc2[N+](=O)[O-])CC[S@]1=O ZINC000302229878 529085602 /nfs/dbraw/zinc/08/56/02/529085602.db2.gz WIURVRLUQKVRMU-NRFANRHFSA-N 0 0 310.419 3.031 10 5 DGBERN COC(=O)c1cnc(N[C@H](C)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000302749993 546436700 /nfs/dbraw/zinc/43/67/00/546436700.db2.gz GVOJYAOGODMTGV-LLVKDONJSA-N 0 0 315.329 3.258 10 5 DGBERN O=[N+]([O-])c1ccc(F)cc1NCCN1CCc2sccc2C1 ZINC000302788007 546437797 /nfs/dbraw/zinc/43/77/97/546437797.db2.gz BPIHJXLIGKZBRD-UHFFFAOYSA-N 0 0 321.377 3.266 10 5 DGBERN O=[N+]([O-])c1c(N2CCC3(C2)CCCCC3)nc2ccccn21 ZINC000742416690 574998787 /nfs/dbraw/zinc/99/87/87/574998787.db2.gz BRJJTGFVTDTSBM-UHFFFAOYSA-N 0 0 300.362 3.403 10 5 DGBERN O=C(CC[C@H]1CCCCO1)OCCc1ccccc1[N+](=O)[O-] ZINC000151201089 620429517 /nfs/dbraw/zinc/42/95/17/620429517.db2.gz LYPNVBSJUIWURA-CQSZACIVSA-N 0 0 307.346 3.030 10 5 DGBERN O=C(Cc1ccc(F)cc1)OCCc1ccccc1[N+](=O)[O-] ZINC000151199360 620429545 /nfs/dbraw/zinc/42/95/45/620429545.db2.gz AYITYSPYPXQVAH-UHFFFAOYSA-N 0 0 303.289 3.062 10 5 DGBERN Cc1ccc(CCC(=O)OCCc2ccccc2[N+](=O)[O-])o1 ZINC000151217051 620431077 /nfs/dbraw/zinc/43/10/77/620431077.db2.gz ONJUJUFLFYBIDM-UHFFFAOYSA-N 0 0 303.314 3.215 10 5 DGBERN Cc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000152552686 620512811 /nfs/dbraw/zinc/51/28/11/620512811.db2.gz IUQPDIBYPYMGQY-UHFFFAOYSA-N 0 0 308.721 3.422 10 5 DGBERN Cc1cc(C)cc([C@H](O)COc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000153900277 620621525 /nfs/dbraw/zinc/62/15/25/620621525.db2.gz KSQBKTLWTGSSGO-OAHLLOKOSA-N 0 0 305.305 3.463 10 5 DGBERN CC(C)c1csc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000010557232 620932703 /nfs/dbraw/zinc/93/27/03/620932703.db2.gz YAYDWNCDJWXWIX-UHFFFAOYSA-N 0 0 306.347 3.009 10 5 DGBERN CCc1ccc(OC(=O)[C@H]2CC2(Cl)Cl)c([N+](=O)[O-])c1 ZINC000115927325 621163965 /nfs/dbraw/zinc/16/39/65/621163965.db2.gz SXEXLAJLNSFIOI-MRVPVSSYSA-N 0 0 304.129 3.256 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(Cl)nc1 ZINC000103377441 621356296 /nfs/dbraw/zinc/35/62/96/621356296.db2.gz BJGGZNXUALXEJV-VIFPVBQESA-N 0 0 317.732 3.235 10 5 DGBERN COc1cc(NC[C@@H](O)c2cccc(F)c2)c([N+](=O)[O-])cc1F ZINC000122964566 622437822 /nfs/dbraw/zinc/43/78/22/622437822.db2.gz JJQPIAMMXNOAFJ-CQSZACIVSA-N 0 0 324.283 3.027 10 5 DGBERN COC(=O)CCCCCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000123130174 622469190 /nfs/dbraw/zinc/46/91/90/622469190.db2.gz LRDSDSQOUDYTOM-UHFFFAOYSA-N 0 0 300.742 3.394 10 5 DGBERN CC[C@@H]1CCCC[C@@H]1OC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000127922417 624636629 /nfs/dbraw/zinc/63/66/29/624636629.db2.gz DEGTVGJBXAMDMQ-OLZOCXBDSA-N 0 0 309.366 3.002 10 5 DGBERN CC1(C)CCC(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000128053273 624708898 /nfs/dbraw/zinc/70/88/98/624708898.db2.gz VNJQZWJGPIOEJZ-UHFFFAOYSA-N 0 0 321.333 3.202 10 5 DGBERN Cc1nc(COc2cc(C=O)ccc2[N+](=O)[O-])nc2ccccc12 ZINC000129663083 625719833 /nfs/dbraw/zinc/71/98/33/625719833.db2.gz BGERKPFAKMTLNV-UHFFFAOYSA-N 0 0 323.308 3.238 10 5 DGBERN COC(C)(C)CCOC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000230421096 659329334 /nfs/dbraw/zinc/32/93/34/659329334.db2.gz FOLAEYXRKBLVAF-UHFFFAOYSA-N 0 0 301.726 3.220 10 5 DGBERN O=C(NCC[C@H]1CCSC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000704850841 660822759 /nfs/dbraw/zinc/82/27/59/660822759.db2.gz ZFBZHRXRHSTNCI-VIFPVBQESA-N 0 0 314.794 3.121 10 5 DGBERN CSC1CC(Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000708259442 660919532 /nfs/dbraw/zinc/91/95/32/660919532.db2.gz BSYJMYNZZUGCDU-UHFFFAOYSA-N 0 0 318.196 3.058 10 5 DGBERN Cc1cccc(OS(=O)(=O)/C=C\c2ccccc2)c1[N+](=O)[O-] ZINC000255058778 655588167 /nfs/dbraw/zinc/58/81/67/655588167.db2.gz SVIPZCFNJJMENV-KHPPLWFESA-N 0 0 319.338 3.283 10 5 DGBERN Cc1ccc([C@@H](C)OC(=O)c2cc(C3CC3)[nH]n2)cc1[N+](=O)[O-] ZINC000177617656 655602763 /nfs/dbraw/zinc/60/27/63/655602763.db2.gz OJVNZVSVHWQVQC-SNVBAGLBSA-N 0 0 315.329 3.422 10 5 DGBERN O=[N+]([O-])c1cccc(OS(=O)(=O)/C=C\c2ccc(F)cc2)c1 ZINC000255502457 655774967 /nfs/dbraw/zinc/77/49/67/655774967.db2.gz DAEOISCMHZJSMY-HJWRWDBZSA-N 0 0 323.301 3.113 10 5 DGBERN Cc1nc(C(=O)OCCc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000178774824 655804415 /nfs/dbraw/zinc/80/44/15/655804415.db2.gz KTZFPMBHADSEJI-UHFFFAOYSA-N 0 0 306.343 3.068 10 5 DGBERN C[C@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CCC1 ZINC000179662470 655910931 /nfs/dbraw/zinc/91/09/31/655910931.db2.gz ONZJKCCKIPRJEU-NSHDSACASA-N 0 0 315.329 3.126 10 5 DGBERN O=[N+]([O-])c1c(Br)cccc1NCC[C@@H]1CCOC1 ZINC000311184022 655982416 /nfs/dbraw/zinc/98/24/16/655982416.db2.gz BGWCLDXSWVUTKV-SECBINFHSA-N 0 0 315.167 3.196 10 5 DGBERN O=C(Nc1ccnn1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000020011709 656069253 /nfs/dbraw/zinc/06/92/53/656069253.db2.gz KBFVLINHXZSOJG-UHFFFAOYSA-N 0 0 300.318 3.159 10 5 DGBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC(F)(F)F ZINC000072575727 656077062 /nfs/dbraw/zinc/07/70/62/656077062.db2.gz KQPWOZBRBMDSDZ-SSDOTTSWSA-N 0 0 309.265 3.181 10 5 DGBERN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000047176390 656211496 /nfs/dbraw/zinc/21/14/96/656211496.db2.gz UTBWFLUZEPEADG-SNVBAGLBSA-N 0 0 316.269 3.421 10 5 DGBERN Cc1nc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)c(C)s1 ZINC000179239937 658389620 /nfs/dbraw/zinc/38/96/20/658389620.db2.gz OMKOHXSCYPXXLH-UHFFFAOYSA-N 0 0 313.285 3.199 10 5 DGBERN CCc1ccc(OC(=O)CC[C@H]2CC[C@@H](C)O2)c([N+](=O)[O-])c1 ZINC000174337507 659428010 /nfs/dbraw/zinc/42/80/10/659428010.db2.gz YQUMQQQHWSRNQU-DGCLKSJQSA-N 0 0 307.346 3.410 10 5 DGBERN CC(=O)C1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000232456662 659433216 /nfs/dbraw/zinc/43/32/16/659433216.db2.gz GWNAEZWNPIJJAX-UHFFFAOYSA-N 0 0 300.717 3.193 10 5 DGBERN CO[C@H](C)CCOC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000174834736 659860676 /nfs/dbraw/zinc/86/06/76/659860676.db2.gz ZMDQVFUUXDEZPF-GHMZBOCLSA-N 0 0 313.375 3.044 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)o1 ZINC000069725326 660017573 /nfs/dbraw/zinc/01/75/73/660017573.db2.gz CDPRXDBCLJXEFN-LLVKDONJSA-N 0 0 317.345 3.053 10 5 DGBERN O=c1ccc2ccc(OCc3cc(F)ccc3[N+](=O)[O-])cc2o1 ZINC000042110068 661837794 /nfs/dbraw/zinc/83/77/94/661837794.db2.gz ANAAIKGGFCGYPY-UHFFFAOYSA-N 0 0 315.256 3.419 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)/C=C\c1ccccc1 ZINC000215211004 661886544 /nfs/dbraw/zinc/88/65/44/661886544.db2.gz HPALQAQKYICCJA-KTKRTIGZSA-N 0 0 318.354 3.316 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(C(=O)OCCCOC2CCCC2)c1 ZINC000076874888 662003862 /nfs/dbraw/zinc/00/38/62/662003862.db2.gz SQCQQWYUKIESFY-UHFFFAOYSA-N 0 0 307.346 3.409 10 5 DGBERN COc1ccc([N+](=O)[O-])c(OCc2cnc(Cl)s2)c1 ZINC000224833296 1176553024 /nfs/dbraw/zinc/55/30/24/1176553024.db2.gz LTMUYOAYLXXWIW-UHFFFAOYSA-N 0 0 300.723 3.292 10 5 DGBERN CC1(C)CCC(O)(CNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000148544719 1176558069 /nfs/dbraw/zinc/55/80/69/1176558069.db2.gz LYZQYMZFZCSVEG-UHFFFAOYSA-N 0 0 313.785 3.386 10 5 DGBERN C[C@H]1CCCC[C@H]1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000050699219 1194612306 /nfs/dbraw/zinc/61/23/06/1194612306.db2.gz PMDJSUBGSYPJNQ-GZMMTYOYSA-N 0 0 311.769 3.139 10 5 DGBERN O=[N+]([O-])c1cc2c(ncnc2NCC=C(Cl)Cl)s1 ZINC000407108442 1199635273 /nfs/dbraw/zinc/63/52/73/1199635273.db2.gz FICSWJZMNOJERU-UHFFFAOYSA-N 0 0 305.146 3.330 10 5 DGBERN CO[C@@H]1CCC[C@H](OC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000588435193 1082265832 /nfs/dbraw/zinc/26/58/32/1082265832.db2.gz HASOQQMWSPVIJZ-QLZIMGNHSA-N 0 0 319.357 3.499 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cscn1 ZINC000588437432 1082283466 /nfs/dbraw/zinc/28/34/66/1082283466.db2.gz IMUSRELPKBEEEI-XFFZJAGNSA-N 0 0 317.370 3.113 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCS1 ZINC000588440254 1082285063 /nfs/dbraw/zinc/28/50/63/1082285063.db2.gz NARAIGMWVNKPHT-RBJHHQRMSA-N 0 0 306.387 3.010 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCC[C@@H]1CCCO1 ZINC000588447888 1082317670 /nfs/dbraw/zinc/31/76/70/1082317670.db2.gz WLROBQDCGCTANN-RUMSDORHSA-N 0 0 305.330 3.110 10 5 DGBERN COC(=O)/C=C\c1ccc(SC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000588589749 1082821967 /nfs/dbraw/zinc/82/19/67/1082821967.db2.gz WZRCMZHWSOEBAE-HWPRWLFBSA-N 0 0 323.370 3.052 10 5 DGBERN COC(=O)/C=C\c1ccc(SC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000588589750 1082822261 /nfs/dbraw/zinc/82/22/61/1082822261.db2.gz WZRCMZHWSOEBAE-SMYYYNMVSA-N 0 0 323.370 3.052 10 5 DGBERN CC[C@H](C)CN(CC)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000093265382 1087077931 /nfs/dbraw/zinc/07/79/31/1087077931.db2.gz LFERSUAZTXWRJR-VIFPVBQESA-N 0 0 313.785 3.339 10 5 DGBERN C[C@@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C1CCCC1 ZINC000070309356 1099335610 /nfs/dbraw/zinc/33/56/10/1099335610.db2.gz KCUAVMGOHWIFIC-MRVPVSSYSA-N 0 0 311.769 3.139 10 5 DGBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCO[C@@H]2CCCC[C@H]21 ZINC000079314460 185164750 /nfs/dbraw/zinc/16/47/50/185164750.db2.gz HQMSDFJWSLZWRM-ZIAGYGMSSA-N 0 0 324.764 3.032 10 5 DGBERN CC(C)NC(=O)c1ccccc1NCc1ccccc1[N+](=O)[O-] ZINC000083133182 185213791 /nfs/dbraw/zinc/21/37/91/185213791.db2.gz OBYZDLUCGLWMOC-UHFFFAOYSA-N 0 0 313.357 3.345 10 5 DGBERN O=c1ccc([N+](=O)[O-])cn1CCSCc1cccc(Cl)c1 ZINC000090199224 185286717 /nfs/dbraw/zinc/28/67/17/185286717.db2.gz DBXQMKHRMXNKMT-UHFFFAOYSA-N 0 0 324.789 3.343 10 5 DGBERN CC[C@H](NCc1nnc(C(C)C)o1)c1cccc([N+](=O)[O-])c1 ZINC000181538101 199313584 /nfs/dbraw/zinc/31/35/84/199313584.db2.gz GNBRLMTYODRSJS-ZDUSSCGKSA-N 0 0 304.350 3.342 10 5 DGBERN O=[N+]([O-])c1ccc(N2CC[C@@]3(O)CCCC[C@H]3C2)c(Cl)c1 ZINC000227373022 201800261 /nfs/dbraw/zinc/80/02/61/201800261.db2.gz ANUDIOQMBWOZIW-NHYWBVRUSA-N 0 0 310.781 3.380 10 5 DGBERN O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000130005625 432013266 /nfs/dbraw/zinc/01/32/66/432013266.db2.gz LEVJWEMLKLJVLB-WFASDCNBSA-N 0 0 314.316 3.267 10 5 DGBERN CCC[C@@H]1C[C@H]1Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000230215523 201873606 /nfs/dbraw/zinc/87/36/06/201873606.db2.gz CQDYJOUSQDPWPL-VXNVDRBHSA-N 0 0 300.156 3.353 10 5 DGBERN Cn1nccc1CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000121351568 185786203 /nfs/dbraw/zinc/78/62/03/185786203.db2.gz NXOQNHRKVOHLKB-UHFFFAOYSA-N 0 0 301.133 3.247 10 5 DGBERN C[C@@H](CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[S@](C)=O ZINC000130316644 185955743 /nfs/dbraw/zinc/95/57/43/185955743.db2.gz PHQSPDWIIBLZLR-HXNGOWOSSA-N 0 0 324.324 3.183 10 5 DGBERN C[C@@H]1CCC[C@@H](NC(=O)CSc2ncccc2[N+](=O)[O-])[C@H]1C ZINC000253358260 186301159 /nfs/dbraw/zinc/30/11/59/186301159.db2.gz NWTAJWUOSGWREG-GRYCIOLGSA-N 0 0 323.418 3.023 10 5 DGBERN Cc1cnc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 ZINC000173030986 198178807 /nfs/dbraw/zinc/17/88/07/198178807.db2.gz COOXAKMGTYAANF-UHFFFAOYSA-N 0 0 302.208 3.489 10 5 DGBERN O=C(N[C@H]1CCCOC1)c1cc2ccccc2c2cccnc12 ZINC000171683900 295857818 /nfs/dbraw/zinc/85/78/18/295857818.db2.gz NJQBOSDAQIFZCI-AWEZNQCLSA-N 0 0 306.365 3.297 10 5 DGBERN O=C(COc1ccc([N+](=O)[O-])cc1Cl)NC1CCCCC1 ZINC000003606470 181039519 /nfs/dbraw/zinc/03/95/19/181039519.db2.gz CBVHEDVPHDUUHH-UHFFFAOYSA-N 0 0 312.753 3.076 10 5 DGBERN O=C(c1cccc2ncccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000073314132 191304044 /nfs/dbraw/zinc/30/40/44/191304044.db2.gz AOZDTBPPZVDMDL-UHFFFAOYSA-N 0 0 319.320 3.346 10 5 DGBERN Cc1nc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c(C)s1 ZINC000179257143 432051513 /nfs/dbraw/zinc/05/15/13/432051513.db2.gz GQLXWDOMSAHUIU-MRVPVSSYSA-N 0 0 317.370 3.260 10 5 DGBERN COc1cc(NC(=O)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000005320466 181228617 /nfs/dbraw/zinc/22/86/17/181228617.db2.gz XIYJGFWUGXHUOI-UHFFFAOYSA-N 0 0 320.276 3.003 10 5 DGBERN COC(=O)c1ccccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005329493 181230494 /nfs/dbraw/zinc/23/04/94/181230494.db2.gz FXWKYOBJVSYGGS-UHFFFAOYSA-N 0 0 317.257 3.033 10 5 DGBERN COc1ccccc1CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000005515068 181252676 /nfs/dbraw/zinc/25/26/76/181252676.db2.gz LRFVCKWMXCIZBF-UHFFFAOYSA-N 0 0 320.732 3.438 10 5 DGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1scnc1C1CC1 ZINC000179329747 432053761 /nfs/dbraw/zinc/05/37/61/432053761.db2.gz JXTDPRUMJNYPQD-UHFFFAOYSA-N 0 0 317.370 3.201 10 5 DGBERN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000005583759 181260771 /nfs/dbraw/zinc/26/07/71/181260771.db2.gz TVJCCGYEZUREGY-UHFFFAOYSA-N 0 0 321.676 3.409 10 5 DGBERN O=C(COc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005684261 181272292 /nfs/dbraw/zinc/27/22/92/181272292.db2.gz UKZPRIZSUDWBOE-UHFFFAOYSA-N 0 0 306.705 3.266 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H](C)C1CCOCC1 ZINC000165760293 432057004 /nfs/dbraw/zinc/05/70/04/432057004.db2.gz KDCRDGOIVXUNCT-NSHDSACASA-N 0 0 306.362 3.213 10 5 DGBERN Cc1c(CN(C)[C@@H](C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000081567010 192293020 /nfs/dbraw/zinc/29/30/20/192293020.db2.gz DITUNBSHCNZNJL-LBPRGKRZSA-N 0 0 308.378 3.065 10 5 DGBERN Cc1ccc(CN(C)C(=O)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000086994982 192607809 /nfs/dbraw/zinc/60/78/09/192607809.db2.gz IIXOXDUZXSWLLS-UHFFFAOYSA-N 0 0 302.330 3.087 10 5 DGBERN Cc1ccc([C@H](C)N[C@@H](C)c2nccnc2C)cc1[N+](=O)[O-] ZINC000188225047 200212288 /nfs/dbraw/zinc/21/22/88/200212288.db2.gz QXCOYSGPEORWAY-AAEUAGOBSA-N 0 0 300.362 3.413 10 5 DGBERN COc1cc(C(=O)N2C[C@@H](C)CC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000188528712 200261607 /nfs/dbraw/zinc/26/16/07/200261607.db2.gz JCQUKXSLWOOYRU-WDEREUQCSA-N 0 0 306.362 3.172 10 5 DGBERN COc1ccccc1C[C@H]1CCCN1c1ncc([N+](=O)[O-])s1 ZINC000190322550 200517982 /nfs/dbraw/zinc/51/79/82/200517982.db2.gz WXGMCIBSEFHKBH-GFCCVEGCSA-N 0 0 319.386 3.271 10 5 DGBERN Cc1ccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 ZINC000005968707 181302357 /nfs/dbraw/zinc/30/23/57/181302357.db2.gz SAUFQBGXTCPEOI-UHFFFAOYSA-N 0 0 310.313 3.267 10 5 DGBERN C[C@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@H](c2ccc(F)cc2)O1 ZINC000192465303 200882629 /nfs/dbraw/zinc/88/26/29/200882629.db2.gz PRPCUEULAKWCRC-JOYOIKCWSA-N 0 0 323.349 3.157 10 5 DGBERN Cc1ccc(CN(C)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000194079099 201174053 /nfs/dbraw/zinc/17/40/53/201174053.db2.gz MBSALIRFDUCQIR-GFCCVEGCSA-N 0 0 317.345 3.399 10 5 DGBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCOc2ccccc21 ZINC000069295157 283717876 /nfs/dbraw/zinc/71/78/76/283717876.db2.gz NHFVLKTZIKJUIS-OJXHRBAXSA-N 0 0 324.336 3.248 10 5 DGBERN C[C@H]1[C@H](C(F)(F)F)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000480548575 291298818 /nfs/dbraw/zinc/29/88/18/291298818.db2.gz DQLICXYGLWEVEL-POYBYMJQSA-N 0 0 309.675 3.420 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)Oc1ccccc1 ZINC000070909792 283740458 /nfs/dbraw/zinc/74/04/58/283740458.db2.gz GZEJROWEWDFLJW-CYBMUJFWSA-N 0 0 314.341 3.101 10 5 DGBERN CC(=O)N(c1c(Br)cccc1[N+](=O)[O-])C(C)C ZINC000091301817 193035607 /nfs/dbraw/zinc/03/56/07/193035607.db2.gz JYVJGGDFIUUADT-UHFFFAOYSA-N 0 0 301.140 3.119 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCSCC[C@@H]1C ZINC000189997480 432112002 /nfs/dbraw/zinc/11/20/02/432112002.db2.gz ULVQOOUBAFVXMT-YLSINNKHSA-N 0 0 320.414 3.352 10 5 DGBERN COc1ccc(F)cc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000093548725 193266915 /nfs/dbraw/zinc/26/69/15/193266915.db2.gz NYGNEHXGTZWJFT-UHFFFAOYSA-N 0 0 310.306 3.365 10 5 DGBERN CC[C@H](NC(=O)C1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000094083681 193344275 /nfs/dbraw/zinc/34/42/75/193344275.db2.gz XLVXTEQTDYWNLR-HSMVNMDESA-N 0 0 320.389 3.366 10 5 DGBERN O=[N+]([O-])c1ccc(NC[C@H](CO)c2ccccc2)c(Cl)c1 ZINC000487632252 245084820 /nfs/dbraw/zinc/08/48/20/245084820.db2.gz JTTSRKWXHUBUSM-GFCCVEGCSA-N 0 0 306.749 3.436 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)CCOCC(C)C)cc1[N+](=O)[O-] ZINC000488047615 245138592 /nfs/dbraw/zinc/13/85/92/245138592.db2.gz WLMJJIFQFHFSQU-ZDUSSCGKSA-N 0 0 308.378 3.143 10 5 DGBERN CCCCC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000014018670 181920343 /nfs/dbraw/zinc/92/03/43/181920343.db2.gz BQIUMDPOZBKUIJ-UHFFFAOYSA-N 0 0 315.782 3.251 10 5 DGBERN O=C1N=C2c3ccccc3CCC2[C@@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000016524716 182048342 /nfs/dbraw/zinc/04/83/42/182048342.db2.gz XKPSHFJKQLXXTL-MRXNPFEDSA-N 0 0 321.336 3.306 10 5 DGBERN COc1ccc(C(=O)N[C@H](C)c2ccccc2C)cc1[N+](=O)[O-] ZINC000017963566 182088655 /nfs/dbraw/zinc/08/86/55/182088655.db2.gz RCNWVJKKTFVWLO-GFCCVEGCSA-N 0 0 314.341 3.403 10 5 DGBERN Cc1sc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000160099982 197384997 /nfs/dbraw/zinc/38/49/97/197384997.db2.gz GTCWITYJRHQNJT-LLVKDONJSA-N 0 0 324.402 3.186 10 5 DGBERN CC(=O)Oc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000021025200 182261382 /nfs/dbraw/zinc/26/13/82/182261382.db2.gz ORMLNUCVZMNJEG-UHFFFAOYSA-N 0 0 314.297 3.081 10 5 DGBERN COc1ccc(NC(=O)Cc2ccc(C)s2)c([N+](=O)[O-])c1 ZINC000098100271 193785350 /nfs/dbraw/zinc/78/53/50/193785350.db2.gz NKCXUQSAINWXAR-UHFFFAOYSA-N 0 0 306.343 3.155 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@]2(C)CCCS2)c1 ZINC000136307929 284500143 /nfs/dbraw/zinc/50/01/43/284500143.db2.gz GULKXADJOUOELS-CQSZACIVSA-N 0 0 310.375 3.079 10 5 DGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 ZINC000036136800 182805918 /nfs/dbraw/zinc/80/59/18/182805918.db2.gz CRYZSMNZLSDLBQ-UHFFFAOYSA-N 0 0 300.314 3.064 10 5 DGBERN CCc1csc([C@@H]2CCCN(c3ncc([N+](=O)[O-])s3)C2)n1 ZINC000190322996 432143051 /nfs/dbraw/zinc/14/30/51/432143051.db2.gz HFTGIUDIKKZYHR-SECBINFHSA-N 0 0 324.431 3.454 10 5 DGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000152082249 284600156 /nfs/dbraw/zinc/60/01/56/284600156.db2.gz JGTSXSBNTVUBKS-IAGOWNOFSA-N 0 0 316.401 3.470 10 5 DGBERN O=[N+]([O-])c1c(NCc2ccco2)ncnc1Nc1ccccc1 ZINC000040645459 183113237 /nfs/dbraw/zinc/11/32/37/183113237.db2.gz NHOUCSVJLSYGJC-UHFFFAOYSA-N 0 0 311.301 3.334 10 5 DGBERN O=[N+]([O-])c1c(Cl)ncnc1NC12CC3CC(CC(C3)C1)C2 ZINC000040571251 183104596 /nfs/dbraw/zinc/10/45/96/183104596.db2.gz FTJYZNHZZYSEPO-UHFFFAOYSA-N 0 0 308.769 3.419 10 5 DGBERN CCN(c1cccc(C)c1)c1ncnc(-n2ccnc2)c1[N+](=O)[O-] ZINC000040572627 183104684 /nfs/dbraw/zinc/10/46/84/183104684.db2.gz HXZBYVJWSHZCDB-UHFFFAOYSA-N 0 0 324.344 3.037 10 5 DGBERN CCNc1ncnc(Nc2cccc3ncccc32)c1[N+](=O)[O-] ZINC000040596501 183107594 /nfs/dbraw/zinc/10/75/94/183107594.db2.gz XNKQJYQISRMDLS-UHFFFAOYSA-N 0 0 310.317 3.108 10 5 DGBERN CCSc1nn2cc(-c3ccc([N+](=O)[O-])cc3)nc2s1 ZINC000040965141 183152189 /nfs/dbraw/zinc/15/21/89/183152189.db2.gz RFXRBNPERZZELI-UHFFFAOYSA-N 0 0 306.372 3.478 10 5 DGBERN COCCc1noc(CS[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000105636876 194116991 /nfs/dbraw/zinc/11/69/91/194116991.db2.gz HSIUPTQFNATPFK-SNVBAGLBSA-N 0 0 323.374 3.161 10 5 DGBERN C[C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1cccc(F)c1 ZINC000105713181 194120362 /nfs/dbraw/zinc/12/03/62/194120362.db2.gz HXDCDCZQPAACFH-NSHDSACASA-N 0 0 323.345 3.410 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCSC1 ZINC000273483167 210808223 /nfs/dbraw/zinc/80/82/23/210808223.db2.gz INUHNNQZQIFJAP-STRFDMGBSA-N 0 0 306.387 3.010 10 5 DGBERN Cc1sc(C(=O)NC[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000110379331 194326055 /nfs/dbraw/zinc/32/60/55/194326055.db2.gz BNVIFMSLDDBNKY-LBPRGKRZSA-N 0 0 316.382 3.425 10 5 DGBERN O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000110440513 194330032 /nfs/dbraw/zinc/33/00/32/194330032.db2.gz LRJIMRUNNIFWTJ-WFASDCNBSA-N 0 0 314.316 3.267 10 5 DGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[C@H]1c1ccccc1 ZINC000110443459 194330125 /nfs/dbraw/zinc/33/01/25/194330125.db2.gz AVADHYHIBFMTCK-WBVHZDCISA-N 0 0 310.353 3.057 10 5 DGBERN CC(C)[C@@H](C)CNc1ncc([N+](=O)[O-])cc1Br ZINC000093434163 252620463 /nfs/dbraw/zinc/62/04/63/252620463.db2.gz QVQORMDGXCWFQK-QMMMGPOBSA-N 0 0 302.172 3.456 10 5 DGBERN CCC1(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000119660656 195012404 /nfs/dbraw/zinc/01/24/04/195012404.db2.gz PTBKTHPMSSQSRT-UHFFFAOYSA-N 0 0 301.346 3.068 10 5 DGBERN COc1cc(NCCN(C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000301622996 533028456 /nfs/dbraw/zinc/02/84/56/533028456.db2.gz OHZRUIGPRYJRLG-UHFFFAOYSA-N 0 0 319.336 3.291 10 5 DGBERN CCN(CCc1nccs1)c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000159250206 197339753 /nfs/dbraw/zinc/33/97/53/197339753.db2.gz LPZYKNGAYWHHAO-UHFFFAOYSA-N 0 0 319.386 3.323 10 5 DGBERN CC(=O)c1cc(N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000286503531 219023847 /nfs/dbraw/zinc/02/38/47/219023847.db2.gz NCNDEEBPLBAIQS-ZBFHGGJFSA-N 0 0 320.389 3.031 10 5 DGBERN O=[N+]([O-])c1cc(CN2CCO[C@H](c3cccs3)C2)cs1 ZINC000157787679 197215441 /nfs/dbraw/zinc/21/54/41/197215441.db2.gz HOTKJBAOLKAGKP-NSHDSACASA-N 0 0 310.400 3.291 10 5 DGBERN CC(=O)c1cc(N2CCC[C@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000342802655 254054571 /nfs/dbraw/zinc/05/45/71/254054571.db2.gz OXQVCWJXMXWHGT-KBPBESRZSA-N 0 0 318.373 3.050 10 5 DGBERN CC(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000345402191 254360277 /nfs/dbraw/zinc/36/02/77/254360277.db2.gz AHNCWOBVVMURHV-VIFPVBQESA-N 0 0 318.354 3.350 10 5 DGBERN COc1cc(N[C@@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000271504483 208963903 /nfs/dbraw/zinc/96/39/03/208963903.db2.gz XQRAMUQWEMVKMU-QMTHXVAHSA-N 0 0 312.341 3.358 10 5 DGBERN CCC[C@]1(COC)CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000302813503 285279472 /nfs/dbraw/zinc/27/94/72/285279472.db2.gz HURMJJKQZMFKND-CQSZACIVSA-N 0 0 313.785 3.429 10 5 DGBERN CCO[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C12CCC2 ZINC000152310246 196804374 /nfs/dbraw/zinc/80/43/74/196804374.db2.gz UTGCIKYOZZFFEL-STQMWFEESA-N 0 0 324.402 3.042 10 5 DGBERN COc1cc(NC[C@@H](O)c2ccc(C)cc2)c([N+](=O)[O-])cc1F ZINC000121833746 195358355 /nfs/dbraw/zinc/35/83/55/195358355.db2.gz LNFUUTCBTXMZSW-OAHLLOKOSA-N 0 0 320.320 3.196 10 5 DGBERN Cc1cc(OCc2cc([N+](=O)[O-])ccc2OC(C)C)nn1C ZINC000128391101 195960059 /nfs/dbraw/zinc/96/00/59/195960059.db2.gz XXFUUYLFQQTMBC-UHFFFAOYSA-N 0 0 305.334 3.003 10 5 DGBERN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1-n1cccn1 ZINC000301644846 533556968 /nfs/dbraw/zinc/55/69/68/533556968.db2.gz NKGWMDLBXUJEST-GFCCVEGCSA-N 0 0 309.329 3.349 10 5 DGBERN COC(=O)[C@]12CCC[C@H]1CN(c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000302162036 533641052 /nfs/dbraw/zinc/64/10/52/533641052.db2.gz KAYPSPQKTZDTFM-BONVTDFDSA-N 0 0 324.764 3.028 10 5 DGBERN C/C(=C\c1nc([C@@H]2CCCO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000357085698 285631415 /nfs/dbraw/zinc/63/14/15/285631415.db2.gz LKWCIWXDUAPMJZ-LXKVQUBZSA-N 0 0 301.302 3.390 10 5 DGBERN C/C(=C\c1nc([C@H]2CCCO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000357085700 285631426 /nfs/dbraw/zinc/63/14/26/285631426.db2.gz LKWCIWXDUAPMJZ-WTNCMQEWSA-N 0 0 301.302 3.390 10 5 DGBERN CC(=O)c1ccc(OCC(=O)C2C(C)(C)C2(C)C)c([N+](=O)[O-])c1 ZINC000600538491 400090442 /nfs/dbraw/zinc/09/04/42/400090442.db2.gz YPPYPHCVLKKBPL-UHFFFAOYSA-N 0 0 319.357 3.428 10 5 DGBERN CC(=O)c1cc(N2CCC[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000587990455 400177268 /nfs/dbraw/zinc/17/72/68/400177268.db2.gz JFYKEKFSMGZBJV-KRWDZBQOSA-N 0 0 318.373 3.194 10 5 DGBERN Cc1cc([N+](=O)[O-])cnc1Sc1n[nH]c(-c2cccs2)n1 ZINC000092584096 400183615 /nfs/dbraw/zinc/18/36/15/400183615.db2.gz MYLIVWCFQLQCGB-UHFFFAOYSA-N 0 0 319.371 3.296 10 5 DGBERN COc1ccc2[nH]cc(CCNc3ccc([N+](=O)[O-])nc3)c2c1 ZINC000609797337 400192429 /nfs/dbraw/zinc/19/24/29/400192429.db2.gz MGTLESITYNGTBV-UHFFFAOYSA-N 0 0 312.329 3.134 10 5 DGBERN Cc1ccccc1[C@@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000067705640 400196093 /nfs/dbraw/zinc/19/60/93/400196093.db2.gz VDFRPXUJJGWHSW-CYBMUJFWSA-N 0 0 313.357 3.193 10 5 DGBERN CC(C)NC(=O)c1ccc(NCCCC2CC2)c([N+](=O)[O-])c1 ZINC000609894382 400200385 /nfs/dbraw/zinc/20/03/85/400200385.db2.gz WPQIVXSAFNNURN-UHFFFAOYSA-N 0 0 305.378 3.335 10 5 DGBERN CN(OCc1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000092826242 400206526 /nfs/dbraw/zinc/20/65/26/400206526.db2.gz NXDWGTFSHLIZMK-UHFFFAOYSA-N 0 0 303.274 3.071 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@H](Cn2cccn2)c2ccccc2)cn1 ZINC000610160298 400217320 /nfs/dbraw/zinc/21/73/20/400217320.db2.gz KRUJUNYZURNFER-OAHLLOKOSA-N 0 0 309.329 3.040 10 5 DGBERN O=[N+]([O-])c1ccc(SC(F)(F)F)nc1Br ZINC000396150062 400281458 /nfs/dbraw/zinc/28/14/58/400281458.db2.gz JKAQGGSSKITMQA-UHFFFAOYSA-N 0 0 303.059 3.364 10 5 DGBERN CO[C@H](CNc1ccc([N+](=O)[O-])nc1)c1ccccc1Cl ZINC000610785775 400306402 /nfs/dbraw/zinc/30/64/02/400306402.db2.gz GRISYBQFFKQLOD-CYBMUJFWSA-N 0 0 307.737 3.443 10 5 DGBERN CC(=O)C(C)(C)CCC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000611408136 400394581 /nfs/dbraw/zinc/39/45/81/400394581.db2.gz VODJNTQPDXLQNH-LLVKDONJSA-N 0 0 306.362 3.167 10 5 DGBERN CC(C)CC1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCC1 ZINC000611489059 400410304 /nfs/dbraw/zinc/41/03/04/400410304.db2.gz SWYNPYGTKGOCDP-UHFFFAOYSA-N 0 0 317.389 3.091 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(NCC2(CCO)CCCCC2)n1 ZINC000611617162 400428826 /nfs/dbraw/zinc/42/88/26/400428826.db2.gz LKPKICQXJJCCMQ-UHFFFAOYSA-N 0 0 307.394 3.351 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(Sc2nnc3n2CCCCC3)n1 ZINC000611615564 400429080 /nfs/dbraw/zinc/42/90/80/400429080.db2.gz BUTAQBATFKEJET-UHFFFAOYSA-N 0 0 319.390 3.076 10 5 DGBERN Cc1ccc(OC[C@@H](O)COc2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000122823893 400464114 /nfs/dbraw/zinc/46/41/14/400464114.db2.gz KZNXYOVKZKDYGC-CQSZACIVSA-N 0 0 317.341 3.030 10 5 DGBERN CSCCCC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000126565462 400493508 /nfs/dbraw/zinc/49/35/08/400493508.db2.gz SKAGDDMJRMFWLC-UHFFFAOYSA-N 0 0 320.374 3.067 10 5 DGBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)c1nccs1 ZINC000131567106 400551667 /nfs/dbraw/zinc/55/16/67/400551667.db2.gz MJRXYPVLQIRULG-QMMMGPOBSA-N 0 0 311.388 3.302 10 5 DGBERN CCC[C@@]1(C)CCCN(c2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000078690874 400820252 /nfs/dbraw/zinc/82/02/52/400820252.db2.gz BYOSOGJEJJEVEE-INIZCTEOSA-N 0 0 305.378 3.100 10 5 DGBERN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000057465985 401006931 /nfs/dbraw/zinc/00/69/31/401006931.db2.gz MOTDRILAPHPJIW-NSHDSACASA-N 0 0 318.329 3.386 10 5 DGBERN COc1cccc([C@@H](CO)Nc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000080648900 400974388 /nfs/dbraw/zinc/97/43/88/400974388.db2.gz HRKHUICRPRJCIC-OAHLLOKOSA-N 0 0 302.330 3.057 10 5 DGBERN CN(Cc1ccc(F)cc1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000063069924 401180799 /nfs/dbraw/zinc/18/07/99/401180799.db2.gz DQLVUAPOAIJFIU-UHFFFAOYSA-N 0 0 317.320 3.076 10 5 DGBERN CC(=O)C(C)(C)CCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000615952325 401186930 /nfs/dbraw/zinc/18/69/30/401186930.db2.gz FRHLJNUGKZGFKI-UHFFFAOYSA-N 0 0 303.318 3.193 10 5 DGBERN C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1ccc(Br)cn1 ZINC000360107968 286425190 /nfs/dbraw/zinc/42/51/90/286425190.db2.gz NJKNGEQDKHHXJY-MRVPVSSYSA-N 0 0 323.150 3.320 10 5 DGBERN CCS[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000176763442 164789243 /nfs/dbraw/zinc/78/92/43/164789243.db2.gz MFEVSWGQDBPGCQ-DGCLKSJQSA-N 0 0 323.418 3.092 10 5 DGBERN Cc1ccc([C@@H](C)OC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1[N+](=O)[O-] ZINC000176937170 164794600 /nfs/dbraw/zinc/79/46/00/164794600.db2.gz PSKSKTOHDFIGOG-OPQSFPLASA-N 0 0 305.330 3.075 10 5 DGBERN CCc1onc(C)c1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177491209 164808351 /nfs/dbraw/zinc/80/83/51/164808351.db2.gz JONNXDMYMFVQRF-SNVBAGLBSA-N 0 0 317.345 3.253 10 5 DGBERN NC(=O)c1ccc(NCc2ccc(C(F)F)cc2)c([N+](=O)[O-])c1 ZINC000185521941 165006790 /nfs/dbraw/zinc/00/67/90/165006790.db2.gz YAZDTONEJOCLKF-UHFFFAOYSA-N 0 0 321.283 3.243 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc2ccn(C)c21 ZINC000191579826 165259113 /nfs/dbraw/zinc/25/91/13/165259113.db2.gz LELUYDKPMUQJRW-UHFFFAOYSA-N 0 0 310.313 3.042 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1cccs1 ZINC000192845479 165308658 /nfs/dbraw/zinc/30/86/58/165308658.db2.gz AIKJUEHUFJFSKI-ZDUSSCGKSA-N 0 0 317.370 3.337 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1NCCc1cc(C)c(O)c(C)c1 ZINC000192884060 165309534 /nfs/dbraw/zinc/30/95/34/165309534.db2.gz ZFLWUPPARZKGPV-UHFFFAOYSA-N 0 0 318.377 3.097 10 5 DGBERN Cc1ccc(NC(=O)N[C@@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000194715699 165354399 /nfs/dbraw/zinc/35/43/99/165354399.db2.gz BXPWEJLEKHAMAQ-CYBMUJFWSA-N 0 0 313.313 3.158 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)c1ccc2c(c1)OCO2 ZINC000195342837 165367995 /nfs/dbraw/zinc/36/79/95/165367995.db2.gz LPMHLKXOABNCGT-SECBINFHSA-N 0 0 318.333 3.021 10 5 DGBERN C[C@]1(Nc2ccc(Br)cc2[N+](=O)[O-])CCCOC1 ZINC000221179340 165379856 /nfs/dbraw/zinc/37/98/56/165379856.db2.gz ACTAHDJQQZWOQG-LBPRGKRZSA-N 0 0 315.167 3.338 10 5 DGBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)c1cn[nH]c1 ZINC000229725676 165392382 /nfs/dbraw/zinc/39/23/82/165392382.db2.gz CCCWBHJQGLQETK-ZETCQYMHSA-N 0 0 311.139 3.254 10 5 DGBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCC12CCC2 ZINC000365630518 287155833 /nfs/dbraw/zinc/15/58/33/287155833.db2.gz UQGBXYURZWPZQB-UHFFFAOYSA-N 0 0 315.373 3.328 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC12CCC2 ZINC000365676212 287161702 /nfs/dbraw/zinc/16/17/02/287161702.db2.gz XLCWUTCGYYKCFP-UHFFFAOYSA-N 0 0 305.334 3.154 10 5 DGBERN CC(=O)[C@@H](C)CCCCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000269273389 432157247 /nfs/dbraw/zinc/15/72/47/432157247.db2.gz HOAJIOOUBAORTL-LBPRGKRZSA-N 0 0 318.373 3.269 10 5 DGBERN CC(C)[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182091442 432158392 /nfs/dbraw/zinc/15/83/92/432158392.db2.gz HZXWROIGBCEOJB-VIFPVBQESA-N 0 0 316.304 3.218 10 5 DGBERN Cc1ccnc(N2CCC(Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000172278640 432204835 /nfs/dbraw/zinc/20/48/35/432204835.db2.gz OBGGJPKTNBKGMM-UHFFFAOYSA-N 0 0 312.373 3.152 10 5 DGBERN Cc1ccnc(N2CCc3[nH]c4ccccc4c3C2)c1[N+](=O)[O-] ZINC000172277401 432205312 /nfs/dbraw/zinc/20/53/12/432205312.db2.gz OGAFNJDMGWZYDY-UHFFFAOYSA-N 0 0 308.341 3.342 10 5 DGBERN CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)ccc1C ZINC000133904447 196344916 /nfs/dbraw/zinc/34/49/16/196344916.db2.gz YJTVFUHXHYWPSK-UHFFFAOYSA-N 0 0 315.329 3.258 10 5 DGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CCc1ccc(F)cc1 ZINC000194237297 292582985 /nfs/dbraw/zinc/58/29/85/292582985.db2.gz AWPRRIAKVLPHKE-UHFFFAOYSA-N 0 0 316.332 3.357 10 5 DGBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1cccc(Cl)c1 ZINC000178148732 228336978 /nfs/dbraw/zinc/33/69/78/228336978.db2.gz AYTHVEMWHOYWGX-VIFPVBQESA-N 0 0 319.748 3.321 10 5 DGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@H]1CCO[C@@H]1c1ccccc1 ZINC000302019620 230039930 /nfs/dbraw/zinc/03/99/30/230039930.db2.gz DOGIEKNZMYHYCY-WMLDXEAASA-N 0 0 314.341 3.029 10 5 DGBERN Cc1csc(NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000302234676 230190136 /nfs/dbraw/zinc/19/01/36/230190136.db2.gz DNOQZQLDNGTKHU-UHFFFAOYSA-N 0 0 318.402 3.441 10 5 DGBERN O=C1CCc2cc(Oc3nc4sccn4c3[N+](=O)[O-])ccc21 ZINC000302542026 230291412 /nfs/dbraw/zinc/29/14/12/230291412.db2.gz ODXCRLBRYPNOQQ-UHFFFAOYSA-N 0 0 315.310 3.225 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000186402714 263656658 /nfs/dbraw/zinc/65/66/58/263656658.db2.gz JQJDYYZFOSFXSA-LLVKDONJSA-N 0 0 314.345 3.323 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000195032207 263824807 /nfs/dbraw/zinc/82/48/07/263824807.db2.gz QWQJIICLMQZYAL-VIFPVBQESA-N 0 0 319.748 3.443 10 5 DGBERN O=[N+]([O-])c1cnc2ccc(NCCCCc3ccccc3)nn21 ZINC000611239281 425080052 /nfs/dbraw/zinc/08/00/52/425080052.db2.gz LFIRKPRQCCNGRH-UHFFFAOYSA-N 0 0 311.345 3.072 10 5 DGBERN Cc1c(C(=O)Nc2ccnn2[C@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000247970847 432255688 /nfs/dbraw/zinc/25/56/88/432255688.db2.gz AGVMXZXVOMVTEV-LLVKDONJSA-N 0 0 314.345 3.323 10 5 DGBERN C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@H](C)[C@H](C)O1 ZINC000408442731 274364694 /nfs/dbraw/zinc/36/46/94/274364694.db2.gz KYBYVGIEJKAVLG-UTUOFQBUSA-N 0 0 301.346 3.145 10 5 DGBERN O=[N+]([O-])c1cc(F)ccc1Oc1c(F)c(F)nc(F)c1F ZINC000084693414 275033958 /nfs/dbraw/zinc/03/39/58/275033958.db2.gz BGEUBEIXJDKGRZ-UHFFFAOYSA-N 0 0 306.146 3.478 10 5 DGBERN CC1(C)C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2O1 ZINC000121593155 276148124 /nfs/dbraw/zinc/14/81/24/276148124.db2.gz ANTULIWWLLUTPT-NSHDSACASA-N 0 0 316.313 3.220 10 5 DGBERN C[C@@H]1CCC[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@H]1C ZINC000481093002 429722314 /nfs/dbraw/zinc/72/23/14/429722314.db2.gz SMHGYHIWEDTZBL-WOPDTQHZSA-N 0 0 303.366 3.122 10 5 DGBERN CCC[C@@H]1CCCC[C@@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000535046969 430161552 /nfs/dbraw/zinc/16/15/52/430161552.db2.gz VXYAEZPXDZSOCF-NEPJUHHUSA-N 0 0 303.366 3.408 10 5 DGBERN COc1cc2c(ccc3cc(OC)c(OC)c(O)c32)cc1O ZINC000001612340 277395065 /nfs/dbraw/zinc/39/50/65/277395065.db2.gz RFECGRRPIZBKMD-UHFFFAOYSA-N 0 0 300.310 3.430 10 5 DGBERN CC(C)C[C@@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000263107974 277440811 /nfs/dbraw/zinc/44/08/11/277440811.db2.gz YCDATGQAHBWFKI-NSHDSACASA-N 0 0 314.769 3.085 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1Nc1cc(C)n([C@@H](C)C2CC2)n1 ZINC000619489890 430597175 /nfs/dbraw/zinc/59/71/75/430597175.db2.gz YBQBADRJUFMRQU-NSHDSACASA-N 0 0 318.381 3.339 10 5 DGBERN C[C@@H]1N(c2ncc(Cl)cc2[N+](=O)[O-])CCC12CCOCC2 ZINC000408199655 278045155 /nfs/dbraw/zinc/04/51/55/278045155.db2.gz VISHWOYJORHXQX-JTQLQIEISA-N 0 0 311.769 3.039 10 5 DGBERN C[C@H](C(=O)N1CCCc2c([N+](=O)[O-])cccc21)c1cccnc1 ZINC000162006929 278140544 /nfs/dbraw/zinc/14/05/44/278140544.db2.gz GYFRNYZYMDWFEG-LBPRGKRZSA-N 0 0 311.341 3.073 10 5 DGBERN CC[C@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])c1nccs1 ZINC000131457151 292655873 /nfs/dbraw/zinc/65/58/73/292655873.db2.gz KJRKKFQISHAEDY-NSHDSACASA-N 0 0 305.359 3.241 10 5 DGBERN C[C@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000408109862 279727382 /nfs/dbraw/zinc/72/73/82/279727382.db2.gz ZQKPZYRYMZQIPQ-WRWORJQWSA-N 0 0 305.161 3.109 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC(C)(C)c1cccs1 ZINC000114306519 431382113 /nfs/dbraw/zinc/38/21/13/431382113.db2.gz NRAJYXKQQRHFFN-UHFFFAOYSA-N 0 0 319.386 3.067 10 5 DGBERN O=[N+]([O-])c1cccc(F)c1CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000114483318 431392730 /nfs/dbraw/zinc/39/27/30/431392730.db2.gz BVWKMJZSPYUATE-CQSZACIVSA-N 0 0 304.325 3.184 10 5 DGBERN O=[N+]([O-])c1ccc(OCC2CCOCC2)c(C(F)(F)F)c1 ZINC000074016021 431395662 /nfs/dbraw/zinc/39/56/62/431395662.db2.gz XJBAXBSQJDOMPR-UHFFFAOYSA-N 0 0 305.252 3.419 10 5 DGBERN Cc1c(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)cccc1[N+](=O)[O-] ZINC000117578644 431570802 /nfs/dbraw/zinc/57/08/02/431570802.db2.gz OUBKDKLFJDZNIL-QLJPJBMISA-N 0 0 312.325 3.406 10 5 DGBERN O=[N+]([O-])c1cc(Br)cnc1N1C[C@H]2CC=CC[C@@H]2C1 ZINC000301707013 280356671 /nfs/dbraw/zinc/35/66/71/280356671.db2.gz VZOVVCFFHSWLGW-NXEZZACHSA-N 0 0 324.178 3.155 10 5 DGBERN O=C(N[C@H]1COc2ccccc21)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000119574769 431711223 /nfs/dbraw/zinc/71/12/23/431711223.db2.gz ABXMTJXRMOEMMC-ZDUSSCGKSA-N 0 0 318.716 3.112 10 5 DGBERN CC(C)Oc1cccnc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000079387048 431724029 /nfs/dbraw/zinc/72/40/29/431724029.db2.gz XEPWEQXRXMUDAE-UHFFFAOYSA-N 0 0 301.302 3.029 10 5 DGBERN Cc1cc(NC(=O)[C@@H]2CCCc3cccnc32)ccc1[N+](=O)[O-] ZINC000194831927 280613424 /nfs/dbraw/zinc/61/34/24/280613424.db2.gz PGXVGWQWSAAVHR-CQSZACIVSA-N 0 0 311.341 3.357 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCSc2ccncc21 ZINC000175725626 280658443 /nfs/dbraw/zinc/65/84/43/280658443.db2.gz JSHVWRKWRFLPPD-UHFFFAOYSA-N 0 0 315.354 3.051 10 5 DGBERN CCCNC(=O)c1cccc2[nH]c(-c3ccccc3[N+](=O)[O-])nc21 ZINC000089195144 431860961 /nfs/dbraw/zinc/86/09/61/431860961.db2.gz CXLPWNLWKSJWQG-UHFFFAOYSA-N 0 0 324.340 3.278 10 5 DGBERN CC[C@@H](NC(=O)Nc1ccc(F)cn1)c1cccc([N+](=O)[O-])c1 ZINC000122300614 431825786 /nfs/dbraw/zinc/82/57/86/431825786.db2.gz IBHXQLCVJKENGS-CYBMUJFWSA-N 0 0 318.308 3.402 10 5 DGBERN Cc1cc(C)n(CC(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000084808898 431833280 /nfs/dbraw/zinc/83/32/80/431833280.db2.gz HZSQRQXBFTVNSB-ZDUSSCGKSA-N 0 0 317.345 3.021 10 5 DGBERN Cc1ccccc1SCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000046136023 431895129 /nfs/dbraw/zinc/89/51/29/431895129.db2.gz FNSVXDXOSQYPRG-UHFFFAOYSA-N 0 0 316.382 3.312 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCCc2ccccc21 ZINC000049726813 431943436 /nfs/dbraw/zinc/94/34/36/431943436.db2.gz GUUZUXZUNNFRHX-UHFFFAOYSA-N 0 0 311.341 3.281 10 5 DGBERN O=[N+]([O-])c1ccc(NCC[C@H]2CCCO2)c(Br)c1 ZINC000049844131 431944246 /nfs/dbraw/zinc/94/42/46/431944246.db2.gz NYEGJFCYHUTAKS-SNVBAGLBSA-N 0 0 315.167 3.338 10 5 DGBERN C[C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)[S@@](C)=O ZINC000128305791 431991092 /nfs/dbraw/zinc/99/10/92/431991092.db2.gz BOHUUKAJKSRVCF-DMWPKQFHSA-N 0 0 311.190 3.081 10 5 DGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1C1CCCCC1 ZINC000152082530 432303394 /nfs/dbraw/zinc/30/33/94/432303394.db2.gz JGTSXSBNTVUBKS-IRXDYDNUSA-N 0 0 316.401 3.470 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H]2CCC(C)C)n1 ZINC000191596188 432281366 /nfs/dbraw/zinc/28/13/66/432281366.db2.gz VEZUPAHTKUJNOC-OLZOCXBDSA-N 0 0 322.409 3.146 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]2CCC(C)C)n1 ZINC000191596202 432281623 /nfs/dbraw/zinc/28/16/23/432281623.db2.gz VEZUPAHTKUJNOC-QWHCGFSZSA-N 0 0 322.409 3.146 10 5 DGBERN Cc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc([N+](=O)[O-])cc1C)N2 ZINC000183951395 432338081 /nfs/dbraw/zinc/33/80/81/432338081.db2.gz HTSNSOCNXGIMLU-MRXNPFEDSA-N 0 0 311.341 3.408 10 5 DGBERN C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@@H](c2ccc(F)cc2)O1 ZINC000249291309 432345061 /nfs/dbraw/zinc/34/50/61/432345061.db2.gz PRPCUEULAKWCRC-SKDRFNHKSA-N 0 0 323.349 3.157 10 5 DGBERN COc1cccc(F)c1[C@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000174496730 432352021 /nfs/dbraw/zinc/35/20/21/432352021.db2.gz SJPSPUBFIJIHNF-QMMMGPOBSA-N 0 0 324.333 3.295 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])s1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000174531936 432352998 /nfs/dbraw/zinc/35/29/98/432352998.db2.gz UQFWYHMKVHLJIY-GFCCVEGCSA-N 0 0 324.402 3.220 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000175074364 432394150 /nfs/dbraw/zinc/39/41/50/432394150.db2.gz OOHMAQODUAMRSU-GFCCVEGCSA-N 0 0 315.377 3.045 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1cccs1)C1CC1 ZINC000193120159 432452574 /nfs/dbraw/zinc/45/25/74/432452574.db2.gz QXTDUHDJOQGZJW-UHFFFAOYSA-N 0 0 317.370 3.165 10 5 DGBERN Cc1ccc(-n2cnnn2)cc1N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000192765458 432410138 /nfs/dbraw/zinc/41/01/38/432410138.db2.gz JDMCXXZUIOKGJT-LBPRGKRZSA-N 0 0 324.344 3.052 10 5 DGBERN CCC1(CC)CN(Cc2cccc([N+](=O)[O-])c2C)CC[S@@]1=O ZINC000185253591 432484168 /nfs/dbraw/zinc/48/41/68/432484168.db2.gz BDEPXUMTTOVKHN-QFIPXVFZSA-N 0 0 324.446 3.026 10 5 DGBERN Cc1ccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000193638601 432487312 /nfs/dbraw/zinc/48/73/12/432487312.db2.gz FASYREFRIYTVMV-GFCCVEGCSA-N 0 0 317.345 3.094 10 5 DGBERN Cc1cc(N2C[C@@H](c3ccsc3)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000186142109 432562304 /nfs/dbraw/zinc/56/23/04/432562304.db2.gz FJXWREJJCHXYQP-ZFWWWQNUSA-N 0 0 318.398 3.177 10 5 DGBERN COc1cccc(C(=O)N2CCC[C@H]2c2ccco2)c1[N+](=O)[O-] ZINC000194377357 432546860 /nfs/dbraw/zinc/54/68/60/432546860.db2.gz XFBFERMHLYMHFZ-LBPRGKRZSA-N 0 0 316.313 3.174 10 5 DGBERN Cc1cc(C(=O)NCCc2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000177111131 432586500 /nfs/dbraw/zinc/58/65/00/432586500.db2.gz VBOSDASMUWUGNH-UHFFFAOYSA-N 0 0 320.295 3.154 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000186402695 432591301 /nfs/dbraw/zinc/59/13/01/432591301.db2.gz JQJDYYZFOSFXSA-NSHDSACASA-N 0 0 314.345 3.323 10 5 DGBERN COc1cccc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000195015910 432594496 /nfs/dbraw/zinc/59/44/96/432594496.db2.gz HDEGGSPXJPNPBQ-UHFFFAOYSA-N 0 0 300.314 3.473 10 5 DGBERN CC(=O)c1c(C)cccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000157673193 432626751 /nfs/dbraw/zinc/62/67/51/432626751.db2.gz MDDCXGLKLIWEJL-UHFFFAOYSA-N 0 0 313.313 3.062 10 5 DGBERN CCOc1cccnc1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000177571386 432637583 /nfs/dbraw/zinc/63/75/83/432637583.db2.gz COKBSDVDFCOFCR-UHFFFAOYSA-N 0 0 315.329 3.258 10 5 DGBERN CN(C)c1ccc(NCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000215323610 432642856 /nfs/dbraw/zinc/64/28/56/432642856.db2.gz UTTLNXCKLVPZFU-UHFFFAOYSA-N 0 0 300.362 3.185 10 5 DGBERN CC[C@@H](NC(=O)c1ccncc1F)c1cccc([N+](=O)[O-])c1 ZINC000177812713 432664948 /nfs/dbraw/zinc/66/49/48/432664948.db2.gz NLIFONHZUJZLQD-CQSZACIVSA-N 0 0 303.293 3.010 10 5 DGBERN O=[N+]([O-])c1ccc(N2CC[C@]3(O)CCCC[C@H]3C2)c(Cl)c1 ZINC000227373016 432711182 /nfs/dbraw/zinc/71/11/82/432711182.db2.gz ANUDIOQMBWOZIW-XHDPSFHLSA-N 0 0 310.781 3.380 10 5 DGBERN COc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2C)cc1F ZINC000159642844 432690141 /nfs/dbraw/zinc/69/01/41/432690141.db2.gz GFOQBQDORFMVHJ-UHFFFAOYSA-N 0 0 318.304 3.328 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(Cl)cc1F ZINC000189297571 432775444 /nfs/dbraw/zinc/77/54/44/432775444.db2.gz UKXBGDFSFWJRMT-UHFFFAOYSA-N 0 0 323.711 3.021 10 5 DGBERN CSCCCCNc1c(Br)cncc1[N+](=O)[O-] ZINC000231629910 432732446 /nfs/dbraw/zinc/73/24/46/432732446.db2.gz MTMUNIXTZLYWDO-UHFFFAOYSA-N 0 0 320.212 3.307 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@H]2CCCO[C@@H]2c2ccncc2)c(F)c1 ZINC000275664421 432739904 /nfs/dbraw/zinc/73/99/04/432739904.db2.gz VECHDASKCWBYHQ-JKSUJKDBSA-N 0 0 317.320 3.461 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000161536680 432784378 /nfs/dbraw/zinc/78/43/78/432784378.db2.gz RUVGWTHVVMTPER-GFCCVEGCSA-N 0 0 302.330 3.225 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2c1cccc2Cl ZINC000161540510 432784505 /nfs/dbraw/zinc/78/45/05/432784505.db2.gz GCNMTJXACFSFDN-UHFFFAOYSA-N 0 0 317.732 3.155 10 5 DGBERN COc1cccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000161557988 432786183 /nfs/dbraw/zinc/78/61/83/432786183.db2.gz KGSFLGYTYRDEOR-UHFFFAOYSA-N 0 0 311.297 3.337 10 5 DGBERN O=C(NCCc1cccs1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000161607940 432788094 /nfs/dbraw/zinc/78/80/94/432788094.db2.gz BZTGVXPEMMZXNO-UHFFFAOYSA-N 0 0 315.354 3.110 10 5 DGBERN CCc1cccc(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000155138071 292699764 /nfs/dbraw/zinc/69/97/64/292699764.db2.gz FFSDBZUXDJZVGR-UHFFFAOYSA-N 0 0 310.353 3.289 10 5 DGBERN Cc1cc(OCc2nnc(-c3ccccc3)n2C)ccc1[N+](=O)[O-] ZINC000156521848 292731052 /nfs/dbraw/zinc/73/10/52/292731052.db2.gz DJECTMLPLQOZQM-UHFFFAOYSA-N 0 0 324.340 3.278 10 5 DGBERN C[C@H]1CCCC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301113445 433420150 /nfs/dbraw/zinc/42/01/50/433420150.db2.gz LIBYBOPMRLMZEW-WDEREUQCSA-N 0 0 319.361 3.164 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccccc3)C2)c(F)c1 ZINC000301170768 433440910 /nfs/dbraw/zinc/44/09/10/433440910.db2.gz DNHRDWXIVHGAPK-GFCCVEGCSA-N 0 0 301.321 3.425 10 5 DGBERN C[C@H]1CCCCCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000408166441 290370566 /nfs/dbraw/zinc/37/05/66/290370566.db2.gz YMIHQZQPYDYXFQ-NSHDSACASA-N 0 0 301.346 3.481 10 5 DGBERN Cc1cc2c(n1C)CCC[C@@H]2Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000301442808 433556444 /nfs/dbraw/zinc/55/64/44/433556444.db2.gz PLXOWPAYBUHIEY-ZDUSSCGKSA-N 0 0 300.362 3.435 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@]2(C)CCCC[C@H]2O)c1 ZINC000301503760 433584331 /nfs/dbraw/zinc/58/43/31/433584331.db2.gz YNQJMUZRPOAYOB-HIFRSBDPSA-N 0 0 312.341 3.096 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCOc2cccc(F)c21 ZINC000161603773 292838787 /nfs/dbraw/zinc/83/87/87/292838787.db2.gz VRBFAKRHQTXCPN-UHFFFAOYSA-N 0 0 316.288 3.082 10 5 DGBERN COc1cc(NC[C@@H]2Cc3ccccc3O2)c([N+](=O)[O-])cc1F ZINC000301612297 433638199 /nfs/dbraw/zinc/63/81/99/433638199.db2.gz FUAFFTJRRUDHGE-NSHDSACASA-N 0 0 318.304 3.158 10 5 DGBERN COc1cc(NCc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1F ZINC000301616827 433640793 /nfs/dbraw/zinc/64/07/93/433640793.db2.gz JZEVPWSXHBEXGR-UHFFFAOYSA-N 0 0 321.264 3.263 10 5 DGBERN Cc1ccn(-c2ccccc2CNc2ncc([N+](=O)[O-])cc2C)n1 ZINC000301707412 433687851 /nfs/dbraw/zinc/68/78/51/433687851.db2.gz SXTBBGHZXZANNJ-UHFFFAOYSA-N 0 0 323.356 3.404 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@H](O)c2cccc(C)c2)c1 ZINC000301718219 433691189 /nfs/dbraw/zinc/69/11/89/433691189.db2.gz YPQKCBYZUXZOER-HNNXBMFYSA-N 0 0 320.320 3.196 10 5 DGBERN COc1cccc(N2CCOc3cccc(F)c3C2)c1[N+](=O)[O-] ZINC000373860880 293324267 /nfs/dbraw/zinc/32/42/67/293324267.db2.gz VTZWJNYSJSXLRW-UHFFFAOYSA-N 0 0 318.304 3.142 10 5 DGBERN CN1Cc2ccccc2[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000374341807 293387084 /nfs/dbraw/zinc/38/70/84/293387084.db2.gz QLLKLNYRFXWXGY-ZDUSSCGKSA-N 0 0 318.764 3.242 10 5 DGBERN Cc1cc(N2CC[C@@H](c3nc(C4CC4)no3)C2)ccc1[N+](=O)[O-] ZINC000375254632 293502858 /nfs/dbraw/zinc/50/28/58/293502858.db2.gz MVUDUSCWAQVASN-GFCCVEGCSA-N 0 0 314.345 3.158 10 5 DGBERN C/C(=C/c1nc([C@H]2CCCO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000357085696 433858770 /nfs/dbraw/zinc/85/87/70/433858770.db2.gz LKWCIWXDUAPMJZ-ASCRHOAZSA-N 0 0 301.302 3.390 10 5 DGBERN Cc1cnc(N(CCc2nccs2)C(C)C)c([N+](=O)[O-])c1 ZINC000302833602 433878756 /nfs/dbraw/zinc/87/87/56/433878756.db2.gz SMVCDFQUQXLHFG-UHFFFAOYSA-N 0 0 306.391 3.212 10 5 DGBERN O=[N+]([O-])c1cc(Br)cnc1N1C[C@H]2CCCC[C@H]21 ZINC000377973953 434049170 /nfs/dbraw/zinc/04/91/70/434049170.db2.gz CFIOFMWRFRNAMC-PSASIEDQSA-N 0 0 312.167 3.131 10 5 DGBERN C[C@H]1C[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475193319 293988281 /nfs/dbraw/zinc/98/82/81/293988281.db2.gz CKNACAHRSJAHTF-JGVFFNPUSA-N 0 0 317.267 3.391 10 5 DGBERN COC(=O)C(C)(C)c1ccc(Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC000450357205 434124101 /nfs/dbraw/zinc/12/41/01/434124101.db2.gz ZAMZXIQPBNBCNC-UHFFFAOYSA-N 0 0 315.329 3.184 10 5 DGBERN CC(C)C[C@H](Nc1ccc([N+](=O)[O-])nc1)C(=O)OC(C)(C)C ZINC000450415597 434161210 /nfs/dbraw/zinc/16/12/10/434161210.db2.gz CTDHZHMIWLIEPD-LBPRGKRZSA-N 0 0 309.366 3.158 10 5 DGBERN COc1ccc(CC(C)(C)Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC000450474655 434212695 /nfs/dbraw/zinc/21/26/95/434212695.db2.gz RCNUCIPNTFXLDC-UHFFFAOYSA-N 0 0 301.346 3.432 10 5 DGBERN CC[C@@H]1C[C@H]1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000438120831 434415487 /nfs/dbraw/zinc/41/54/87/434415487.db2.gz XITLXYYIFOKBGI-VXNVDRBHSA-N 0 0 302.252 3.142 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000408039081 434538513 /nfs/dbraw/zinc/53/85/13/434538513.db2.gz RYGIUAJCACOJQR-MELADBBJSA-N 0 0 317.389 3.387 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(C(F)(F)F)CC2)n1 ZINC000408169573 434547456 /nfs/dbraw/zinc/54/74/56/434547456.db2.gz ORPXEZMODQJZAN-UHFFFAOYSA-N 0 0 303.284 3.385 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@]3(CCCOC3)C2)n1 ZINC000408172179 434548845 /nfs/dbraw/zinc/54/88/45/434548845.db2.gz SYBLRHSQZDFDKW-MRXNPFEDSA-N 0 0 305.378 3.004 10 5 DGBERN C[C@H]1N(c2ncc(Cl)cc2[N+](=O)[O-])CCC12CCOCC2 ZINC000408199656 434549462 /nfs/dbraw/zinc/54/94/62/434549462.db2.gz VISHWOYJORHXQX-SNVBAGLBSA-N 0 0 311.769 3.039 10 5 DGBERN COc1cc([N+](=O)[O-])cc(OC(F)(F)F)c1OC(F)F ZINC000575664911 435040479 /nfs/dbraw/zinc/04/04/79/435040479.db2.gz AIHJWBKDXNMWSF-UHFFFAOYSA-N 0 0 303.139 3.103 10 5 DGBERN COc1ccc(OC(F)F)c([N+](=O)[O-])c1OC(F)(F)F ZINC000575667033 435042081 /nfs/dbraw/zinc/04/20/81/435042081.db2.gz KEAUCTFZNYKVHI-UHFFFAOYSA-N 0 0 303.139 3.103 10 5 DGBERN CC(=O)c1cc(OC(F)F)c(Br)cc1[N+](=O)[O-] ZINC000575683207 435044406 /nfs/dbraw/zinc/04/44/06/435044406.db2.gz MOUZMIYIMJJQER-UHFFFAOYSA-N 0 0 310.050 3.161 10 5 DGBERN CSc1ccc(F)c(I)c1[N+](=O)[O-] ZINC000575707292 435048760 /nfs/dbraw/zinc/04/87/60/435048760.db2.gz UEVQGCVPFSVOGO-UHFFFAOYSA-N 0 0 313.091 3.060 10 5 DGBERN CSc1c(F)cc(I)cc1[N+](=O)[O-] ZINC000575707106 435049117 /nfs/dbraw/zinc/04/91/17/435049117.db2.gz KQCUSXQHIIHFKH-UHFFFAOYSA-N 0 0 313.091 3.060 10 5 DGBERN Cc1c(Br)c(N[C@@H]2C[C@H]2C2CC2)ncc1[N+](=O)[O-] ZINC000485446869 435568279 /nfs/dbraw/zinc/56/82/79/435568279.db2.gz XSWLUIPDLBXYDW-DTWKUNHWSA-N 0 0 312.167 3.271 10 5 DGBERN O=[N+]([O-])c1ccc(NCCOCC2CCC2)c(OC(F)F)c1 ZINC000570445591 435621144 /nfs/dbraw/zinc/62/11/44/435621144.db2.gz XMTUUDLMOHTVEM-UHFFFAOYSA-N 0 0 316.304 3.425 10 5 DGBERN CC(C)c1ccc(CN2CCO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000548258642 435678916 /nfs/dbraw/zinc/67/89/16/435678916.db2.gz BYWCMWQAOYMHDY-QGZVFWFLSA-N 0 0 304.390 3.329 10 5 DGBERN CC(=O)c1cc(N[C@H](CO)CC2CCCC2)ccc1[N+](=O)[O-] ZINC000571786388 435737168 /nfs/dbraw/zinc/73/71/68/435737168.db2.gz DUJDURMOYWYCOO-AWEZNQCLSA-N 0 0 306.362 3.151 10 5 DGBERN Cc1cc(N2C[C@H](C)O[C@H](C)[C@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000408440756 301344308 /nfs/dbraw/zinc/34/43/08/301344308.db2.gz AJNVKNKFROODML-YNEHKIRRSA-N 0 0 315.373 3.454 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(C(C)(C)C)CC1 ZINC000172301214 312744669 /nfs/dbraw/zinc/74/46/69/312744669.db2.gz LKEVQMQPXUVEHC-UHFFFAOYSA-N 0 0 305.378 3.197 10 5 DGBERN COc1ccc([N+](=O)[O-])c(N2CC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000530482269 313374467 /nfs/dbraw/zinc/37/44/67/313374467.db2.gz KPLOERZQTVLQSC-SCZZXKLOSA-N 0 0 304.268 3.381 10 5 DGBERN CCOc1cc(N2CCC[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000530669234 313394958 /nfs/dbraw/zinc/39/49/58/313394958.db2.gz WAKXLIQRSKQFAX-KRWDZBQOSA-N 0 0 320.389 3.391 10 5 DGBERN Cc1c(CC(=O)N(C)C[C@@H]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000543187612 314119348 /nfs/dbraw/zinc/11/93/48/314119348.db2.gz CQHZFACHZOBYIA-CQSZACIVSA-N 0 0 302.374 3.260 10 5 DGBERN Cc1nc(N2CCC[C@H](C(F)(F)F)[C@H]2C)ccc1[N+](=O)[O-] ZINC000547828142 314400529 /nfs/dbraw/zinc/40/05/29/314400529.db2.gz JNRJCGLPFPJBRK-ZJUUUORDSA-N 0 0 303.284 3.465 10 5 DGBERN COc1ccc(C[C@@H](C)CN(C)c2ccc([N+](=O)[O-])nc2)cc1 ZINC000576772814 316166593 /nfs/dbraw/zinc/16/65/93/316166593.db2.gz WIWJOYRZNWEWDM-CYBMUJFWSA-N 0 0 315.373 3.313 10 5 DGBERN C[C@@H](NCc1nc(C2CCCC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000180459563 323230193 /nfs/dbraw/zinc/23/01/93/323230193.db2.gz MZMGQHMUFFJYDV-LLVKDONJSA-N 0 0 316.361 3.486 10 5 DGBERN C[C@H](COc1ccc(F)cc1F)Nc1ccc([N+](=O)[O-])nc1 ZINC000583107742 324313313 /nfs/dbraw/zinc/31/33/13/324313313.db2.gz GEEXMXFLUZTNKL-SECBINFHSA-N 0 0 309.272 3.147 10 5 DGBERN O=[N+]([O-])c1n[nH]c([N+](=O)[O-])c1Sc1ccc(Cl)cc1 ZINC000584660826 337378284 /nfs/dbraw/zinc/37/82/84/337378284.db2.gz FBTNUYJEXHCAST-UHFFFAOYSA-N 0 0 300.683 3.031 10 5 DGBERN CC(C)(C)OC(=O)NCCCCC(=O)c1ccccc1[N+](=O)[O-] ZINC000536954555 337868480 /nfs/dbraw/zinc/86/84/80/337868480.db2.gz MKMMQXZCOPGVOR-UHFFFAOYSA-N 0 0 322.361 3.473 10 5 DGBERN COc1cc(N2CCCC[C@@H](SC)C2)c([N+](=O)[O-])cc1F ZINC000154637068 522633701 /nfs/dbraw/zinc/63/37/01/522633701.db2.gz VOTWTUTVUDVHMD-SNVBAGLBSA-N 0 0 314.382 3.464 10 5 DGBERN C[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCC1=O ZINC000193914111 524857118 /nfs/dbraw/zinc/85/71/18/524857118.db2.gz RPNQBLKCJIZLNL-CYBMUJFWSA-N 0 0 318.376 3.439 10 5 DGBERN O=[N+]([O-])c1ccc(CO)cc1N1CC[C@@H](Cc2ccccc2)C1 ZINC000302069291 534881919 /nfs/dbraw/zinc/88/19/19/534881919.db2.gz VCUPQKDWFYJBHV-HNNXBMFYSA-N 0 0 312.369 3.156 10 5 DGBERN CC1(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCC1 ZINC000175077978 527977206 /nfs/dbraw/zinc/97/72/06/527977206.db2.gz ZCIHATNJKQRQCT-UHFFFAOYSA-N 0 0 317.389 3.115 10 5 DGBERN CCC[C@@H](C)c1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)n[nH]1 ZINC000173333026 528908729 /nfs/dbraw/zinc/90/87/29/528908729.db2.gz SUXWBEDMRCYUHT-SECBINFHSA-N 0 0 317.349 3.177 10 5 DGBERN CC(C)(C)c1ccc([C@H](O)CNc2ccc([N+](=O)[O-])nc2)cc1 ZINC000735487538 574703775 /nfs/dbraw/zinc/70/37/75/574703775.db2.gz MUQOFILHJIDALP-OAHLLOKOSA-N 0 0 315.373 3.433 10 5 DGBERN Cc1ccc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])nc3)C2)cc1 ZINC000742420494 574998845 /nfs/dbraw/zinc/99/88/45/574998845.db2.gz INIGDDBFLNVENQ-HNNXBMFYSA-N 0 0 312.373 3.379 10 5 DGBERN COc1cc([N+](=O)[O-])ccc1OC[C@@H](O)c1cc(C)cc(C)c1 ZINC000153863511 620618686 /nfs/dbraw/zinc/61/86/86/620618686.db2.gz ZWNXUZHUXHIHJN-OAHLLOKOSA-N 0 0 317.341 3.333 10 5 DGBERN CC(C)(C)SCCOC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000112764498 620851758 /nfs/dbraw/zinc/85/17/58/620851758.db2.gz LFRASGQUHGJVKS-UHFFFAOYSA-N 0 0 313.375 3.049 10 5 DGBERN CC[C@@H]1CCC[C@@H](OC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000115920215 621159174 /nfs/dbraw/zinc/15/91/74/621159174.db2.gz UBUDASMVOUWZFT-CHWSQXEVSA-N 0 0 309.366 3.002 10 5 DGBERN Cc1cccc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000003572502 621254343 /nfs/dbraw/zinc/25/43/43/621254343.db2.gz UMRVKVHSSDIGIB-UHFFFAOYSA-N 0 0 304.277 3.060 10 5 DGBERN CCc1ccc(OC(=O)c2cc([N+](=O)[O-])cnc2C)c(OC)c1 ZINC000122556004 622347718 /nfs/dbraw/zinc/34/77/18/622347718.db2.gz GNLAKDSDGOIVAW-UHFFFAOYSA-N 0 0 316.313 3.088 10 5 DGBERN O=[N+]([O-])c1ccc(Cl)cc1N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000123127242 622469117 /nfs/dbraw/zinc/46/91/17/622469117.db2.gz BFUBCPSEQDCZNE-IAQYHMDHSA-N 0 0 310.781 3.380 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000132833795 626743972 /nfs/dbraw/zinc/74/39/72/626743972.db2.gz KIFGPXCQZIEKJR-UHFFFAOYSA-N 0 0 302.242 3.031 10 5 DGBERN CCOc1ccc(C(=O)OCc2cccs2)cc1[N+](=O)[O-] ZINC000072595114 660204009 /nfs/dbraw/zinc/20/40/09/660204009.db2.gz GGKCNLMDBHTBDQ-UHFFFAOYSA-N 0 0 307.327 3.412 10 5 DGBERN O=C(NCC[C@@H]1CCSC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000704846511 660822585 /nfs/dbraw/zinc/82/25/85/660822585.db2.gz BQOPGVQRMYVHFF-SECBINFHSA-N 0 0 314.794 3.121 10 5 DGBERN O=[N+]([O-])c1cc(CN2C[C@@H]3CCC[C@@H]32)ccc1Br ZINC000706738254 660870214 /nfs/dbraw/zinc/87/02/14/660870214.db2.gz LLZRJQUFJUGYJC-JQWIXIFHSA-N 0 0 311.179 3.342 10 5 DGBERN COc1ccccc1NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000175726090 655537850 /nfs/dbraw/zinc/53/78/50/655537850.db2.gz WVGNWIAXHFNFIG-UHFFFAOYSA-N 0 0 304.277 3.303 10 5 DGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)OCCC(F)(F)F ZINC000126470220 655687254 /nfs/dbraw/zinc/68/72/54/655687254.db2.gz OTHYBANRVZWHQN-UHFFFAOYSA-N 0 0 320.267 3.283 10 5 DGBERN C/C(=C\c1ccc(F)cc1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000176027289 655736580 /nfs/dbraw/zinc/73/65/80/655736580.db2.gz FGYPXTSUXLQNAL-ZRDIBKRKSA-N 0 0 314.316 3.454 10 5 DGBERN COC[C@H]1C[C@@H](Nc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000714253804 661198403 /nfs/dbraw/zinc/19/84/03/661198403.db2.gz QECYFWHWNDQZIX-DTORHVGOSA-N 0 0 315.167 3.194 10 5 DGBERN COc1ncccc1C(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176945885 655881232 /nfs/dbraw/zinc/88/12/32/655881232.db2.gz LIPRAWJGZXAPDY-NSHDSACASA-N 0 0 316.313 3.225 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000176958234 655884598 /nfs/dbraw/zinc/88/45/98/655884598.db2.gz RWJOKCZJGMXRJE-LBPRGKRZSA-N 0 0 306.362 3.071 10 5 DGBERN C[C@@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCC1 ZINC000177288832 655920009 /nfs/dbraw/zinc/92/00/09/655920009.db2.gz HMQYMAKIMLYFOS-LLVKDONJSA-N 0 0 315.329 3.126 10 5 DGBERN C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000177669107 655938443 /nfs/dbraw/zinc/93/84/43/655938443.db2.gz UUZTWVJZGCFDHK-MDZDMXLPSA-N 0 0 315.304 3.479 10 5 DGBERN CCS[C@H](C(=O)Oc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000066273274 655942009 /nfs/dbraw/zinc/94/20/09/655942009.db2.gz LDSSEMGOLARWLI-ZDUSSCGKSA-N 0 0 313.375 3.287 10 5 DGBERN O=[N+]([O-])c1cc2c(ncnc2NCC[C@H]2CCCS2)s1 ZINC000715606640 661213281 /nfs/dbraw/zinc/21/32/81/661213281.db2.gz ZPAIPAATVAZJKN-MRVPVSSYSA-N 0 0 310.404 3.297 10 5 DGBERN COc1ccc(CC(=O)O[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000047176075 656211721 /nfs/dbraw/zinc/21/17/21/656211721.db2.gz UDWCNQPQBPTRMX-LBPRGKRZSA-N 0 0 315.325 3.450 10 5 DGBERN CC(C)c1cc(C(=O)O[C@H](C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000066878565 656300532 /nfs/dbraw/zinc/30/05/32/656300532.db2.gz XMLZXUABOOKUTE-SNVBAGLBSA-N 0 0 303.318 3.359 10 5 DGBERN CC[C@H](C)c1ccc(OC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000158662835 657074639 /nfs/dbraw/zinc/07/46/39/657074639.db2.gz ZVYOVHQSYLXYMP-LBPRGKRZSA-N 0 0 317.345 3.301 10 5 DGBERN O=[N+]([O-])c1c2cccnc2ccc1N(CCO)Cc1ccccc1 ZINC000309801443 657330644 /nfs/dbraw/zinc/33/06/44/657330644.db2.gz QLSVSVBTFHQCPR-UHFFFAOYSA-N 0 0 323.352 3.142 10 5 DGBERN COc1ccc(C(=O)OCCCOC2CCCC2)cc1[N+](=O)[O-] ZINC000127167278 657643979 /nfs/dbraw/zinc/64/39/79/657643979.db2.gz GYCZREQVMSXKNZ-UHFFFAOYSA-N 0 0 323.345 3.110 10 5 DGBERN CCOc1ccc([N+](=O)[O-])cc1COC(=O)[C@H]1CC=CCC1 ZINC000127352451 657817097 /nfs/dbraw/zinc/81/70/97/657817097.db2.gz NUMRPHLBCSJLFJ-LBPRGKRZSA-N 0 0 305.330 3.393 10 5 DGBERN CC(=O)c1cc(C(=O)O[C@@H](C)c2ccc([N+](=O)[O-])cc2)n(C)c1 ZINC000098161105 657972368 /nfs/dbraw/zinc/97/23/68/657972368.db2.gz KOMQQMJPFUTWJM-NSHDSACASA-N 0 0 316.313 3.054 10 5 DGBERN CO[C@H]1C[C@@H](COc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000721114930 658473844 /nfs/dbraw/zinc/47/38/44/658473844.db2.gz XYGAQGMJEHUIAR-WAAGHKOSSA-N 0 0 316.151 3.161 10 5 DGBERN Cc1c(C(=O)NCCC2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000044705276 658923875 /nfs/dbraw/zinc/92/38/75/658923875.db2.gz BLVYCMDYWBRCLN-UHFFFAOYSA-N 0 0 321.333 3.122 10 5 DGBERN O=C(CCc1cccc([N+](=O)[O-])c1)OCCCC(F)(F)F ZINC000157411040 659054339 /nfs/dbraw/zinc/05/43/39/659054339.db2.gz XRYMJSXWTMJOKZ-UHFFFAOYSA-N 0 0 305.252 3.413 10 5 DGBERN O=[N+]([O-])c1ccc(Cl)c(CN2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000227152355 659147152 /nfs/dbraw/zinc/14/71/52/659147152.db2.gz QIHWUUKQJZRQKS-HUUCEWRRSA-N 0 0 310.781 3.392 10 5 DGBERN C[C@H](OC(=O)[C@H]1CSCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000175141794 659916428 /nfs/dbraw/zinc/91/64/28/659916428.db2.gz VKHNJHLVVUPFRW-JOYOIKCWSA-N 0 0 313.400 3.048 10 5 DGBERN C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CCOC1 ZINC000079187732 662103174 /nfs/dbraw/zinc/10/31/74/662103174.db2.gz GNGGUNRLKPSQHN-NXEZZACHSA-N 0 0 321.354 3.391 10 5 DGBERN CCc1ccc(C(=O)O[C@@H]2CCC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000081809951 662173021 /nfs/dbraw/zinc/17/30/21/662173021.db2.gz BZXGWRIRAFTORV-ZIAGYGMSSA-N 0 0 307.346 3.272 10 5 DGBERN Cc1nn(CN2CCCC[C@H]2c2nccs2)c(C)c1[N+](=O)[O-] ZINC000195303901 662183867 /nfs/dbraw/zinc/18/38/67/662183867.db2.gz BNIFCQZESYFRPB-LBPRGKRZSA-N 0 0 321.406 3.049 10 5 DGBERN Cc1cc(Cl)ccc1OC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000195524162 662191473 /nfs/dbraw/zinc/19/14/73/662191473.db2.gz UZFMIDMCTYWNHV-UHFFFAOYSA-N 0 0 306.705 3.479 10 5 DGBERN CO[C@@H]1CCC[C@@H](OC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087023307 662222356 /nfs/dbraw/zinc/22/23/56/662222356.db2.gz YXHAADAYDMPXOZ-HUUCEWRRSA-N 0 0 307.346 3.028 10 5 DGBERN O=C(CCc1cccc([N+](=O)[O-])c1)OCCCOC1CCCC1 ZINC000088806162 662235181 /nfs/dbraw/zinc/23/51/81/662235181.db2.gz SANAEUQDIGKYQT-UHFFFAOYSA-N 0 0 321.373 3.420 10 5 DGBERN O=[N+]([O-])c1cncc(Cl)c1NCc1ccc(Cl)s1 ZINC000385411124 1177161606 /nfs/dbraw/zinc/16/16/06/1177161606.db2.gz SEGKECLSXNUWBV-UHFFFAOYSA-N 0 0 304.158 3.392 10 5 DGBERN CC[C@@H](C)C[C@H](C)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000088312705 1197729357 /nfs/dbraw/zinc/72/93/57/1197729357.db2.gz UEIQXDLJCZLFOV-BDAKNGLRSA-N 0 0 313.785 3.385 10 5 DGBERN C[C@@H]1CC[C@H](CNc2ccc(Br)cc2[N+](=O)[O-])O1 ZINC000128245754 1200768383 /nfs/dbraw/zinc/76/83/83/1200768383.db2.gz PDFJKWVZHFJLTN-PSASIEDQSA-N 0 0 315.167 3.337 10 5 DGBERN O=[N+]([O-])c1ccc(Cl)cc1OCc1ccc(Cl)nn1 ZINC000167309413 1203818424 /nfs/dbraw/zinc/81/84/24/1203818424.db2.gz ZSDLYHDISXQNDP-UHFFFAOYSA-N 0 0 300.101 3.271 10 5 DGBERN CCOCCCCNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000255192489 1203838533 /nfs/dbraw/zinc/83/85/33/1203838533.db2.gz CKPCHNJSCAUWBL-CLFYSBASSA-N 0 0 322.361 3.010 10 5 DGBERN C[C@H](Cc1ccsc1)N(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000175108043 1203917539 /nfs/dbraw/zinc/91/75/39/1203917539.db2.gz FRHLLSPHMXEZDX-SECBINFHSA-N 0 0 310.400 3.421 10 5 DGBERN Cc1ccccc1C1=N/C(=C/c2ccc([N+](=O)[O-])s2)C(=O)O1 ZINC000588421399 1082214468 /nfs/dbraw/zinc/21/44/68/1082214468.db2.gz UULXPSPMUOJVKZ-XYOKQWHBSA-N 0 0 314.322 3.309 10 5 DGBERN CC(C)(C)OC(=O)NC/C=C\CNc1ccccc1[N+](=O)[O-] ZINC000588432547 1082250643 /nfs/dbraw/zinc/25/06/43/1082250643.db2.gz CCQQFKWZBSBFLL-SREVYHEPSA-N 0 0 307.350 3.088 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(F)c1 ZINC000588436426 1082268430 /nfs/dbraw/zinc/26/84/30/1082268430.db2.gz FRUHEJDMHDGXEZ-XFXZXTDPSA-N 0 0 314.316 3.454 10 5 DGBERN CCOC1CCN(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000588437382 1082270960 /nfs/dbraw/zinc/27/09/60/1082270960.db2.gz ZRJFWMMUVLYJRO-SEYXRHQNSA-N 0 0 318.373 3.026 10 5 DGBERN CCOC[C@@H](NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000588573778 1082687101 /nfs/dbraw/zinc/68/71/01/1082687101.db2.gz PATILZPXWVQFIN-IVOILVROSA-N 0 0 320.389 3.175 10 5 DGBERN CSC1(CNC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000588610746 1082844523 /nfs/dbraw/zinc/84/45/23/1082844523.db2.gz ASSUGAWIMMQHOL-BENRWUELSA-N 0 0 320.414 3.400 10 5 DGBERN Cc1nccc(CNc2cccc(Br)c2[N+](=O)[O-])n1 ZINC000311411124 1094958480 /nfs/dbraw/zinc/95/84/80/1094958480.db2.gz INSYGNNFPUIHQZ-UHFFFAOYSA-N 0 0 323.150 3.068 10 5 DGBERN CCC[C@@H](CCO)Nc1c(Br)cccc1[N+](=O)[O-] ZINC000716840864 1101775735 /nfs/dbraw/zinc/77/57/35/1101775735.db2.gz PUXJYPYISJVTDD-VIFPVBQESA-N 0 0 317.183 3.320 10 5 DGBERN O=C(NCCc1cc(F)ccc1F)Nc1ccc([N+](=O)[O-])cc1 ZINC000083059025 185212226 /nfs/dbraw/zinc/21/22/26/185212226.db2.gz FZHQUPGBQFDVFG-UHFFFAOYSA-N 0 0 321.283 3.237 10 5 DGBERN CC[C@H](NC(=O)N1CCC12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000435565539 529488154 /nfs/dbraw/zinc/48/81/54/529488154.db2.gz SYVNJXGELSUPPT-AWEZNQCLSA-N 0 0 303.362 3.384 10 5 DGBERN CC[C@H](NC(=O)CCc1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC000177341274 529475116 /nfs/dbraw/zinc/47/51/16/529475116.db2.gz SWWISAORBVIRIP-HNNXBMFYSA-N 0 0 302.330 3.388 10 5 DGBERN CC[C@H](NS(=O)(=O)CCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090223175 185287468 /nfs/dbraw/zinc/28/74/68/185287468.db2.gz YBWAIKSMXUXGMI-AWEZNQCLSA-N 0 0 314.407 3.011 10 5 DGBERN CC[C@@H](NCc1nc(CC(C)C)no1)c1cccc([N+](=O)[O-])c1 ZINC000181549972 199316263 /nfs/dbraw/zinc/31/62/63/199316263.db2.gz SXMJROVORMWTDH-CQSZACIVSA-N 0 0 318.377 3.417 10 5 DGBERN CC[C@@H](NCc1ccoc1C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000181556614 199316371 /nfs/dbraw/zinc/31/63/71/199316371.db2.gz JMTCNUZSYGRELS-CQSZACIVSA-N 0 0 318.329 3.215 10 5 DGBERN CN(Cc1ccc(F)cc1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000177042298 529987813 /nfs/dbraw/zinc/98/78/13/529987813.db2.gz VWPYOUYMOGFUEV-UHFFFAOYSA-N 0 0 306.268 3.145 10 5 DGBERN Cc1cccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)c1C ZINC000115288141 185672804 /nfs/dbraw/zinc/67/28/04/185672804.db2.gz OQLSBSJLNKTLEB-ZDUSSCGKSA-N 0 0 313.357 3.406 10 5 DGBERN CCO[C@@H](CCNC(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)C ZINC000080460496 192159085 /nfs/dbraw/zinc/15/90/85/192159085.db2.gz OAEIYBHSMNGMAW-LBPRGKRZSA-N 0 0 314.407 3.146 10 5 DGBERN O=[N+]([O-])c1cnc2ccccc2c1NCCc1cscn1 ZINC000130386200 432023343 /nfs/dbraw/zinc/02/33/43/432023343.db2.gz RTDVMHAYLQBNBJ-UHFFFAOYSA-N 0 0 300.343 3.254 10 5 DGBERN CCOC(=O)c1nc2[nH]cc([N+](=O)[O-])cc-2c1-c1ccccc1 ZINC000143404896 186033382 /nfs/dbraw/zinc/03/33/82/186033382.db2.gz RPOCRRPVAYWSAL-UHFFFAOYSA-N 0 0 311.297 3.315 10 5 DGBERN C[C@@H](NC(=O)NCCC1=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000164385298 186158077 /nfs/dbraw/zinc/15/80/77/186158077.db2.gz OQGUJIUNYBAMKO-GFCCVEGCSA-N 0 0 303.362 3.455 10 5 DGBERN CCC[C@@H]1C[C@@H]1Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000301416466 186731692 /nfs/dbraw/zinc/73/16/92/186731692.db2.gz CBSSCDFNSWIETA-YGRLFVJLSA-N 0 0 303.362 3.088 10 5 DGBERN Cc1cccc(OCc2nnc(-c3ccccc3)n2C)c1[N+](=O)[O-] ZINC000131262597 432033977 /nfs/dbraw/zinc/03/39/77/432033977.db2.gz WSWVDQNUAUGIQD-UHFFFAOYSA-N 0 0 324.340 3.278 10 5 DGBERN O=C(Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003151021 180986087 /nfs/dbraw/zinc/98/60/87/180986087.db2.gz QFSRDNYKZRAHED-UHFFFAOYSA-N 0 0 321.676 3.409 10 5 DGBERN COc1ccccc1NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000003510908 181028096 /nfs/dbraw/zinc/02/80/96/181028096.db2.gz HFCKNYPQHRQBSQ-LLVKDONJSA-N 0 0 316.313 3.009 10 5 DGBERN CCOC(=O)c1ccsc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000004281448 181092081 /nfs/dbraw/zinc/09/20/81/181092081.db2.gz JABHNBDYURKVQX-UHFFFAOYSA-N 0 0 320.326 3.085 10 5 DGBERN O=C(Cc1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179151047 432045668 /nfs/dbraw/zinc/04/56/68/432045668.db2.gz QXYWZECYLZMIEV-UHFFFAOYSA-N 0 0 310.353 3.329 10 5 DGBERN CCc1noc(C)c1NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000179432065 432058461 /nfs/dbraw/zinc/05/84/61/432058461.db2.gz WRCCIZNYRWSQIK-SECBINFHSA-N 0 0 318.333 3.336 10 5 DGBERN CC[C@@H](NC(=O)[C@H](C)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000177796329 198778327 /nfs/dbraw/zinc/77/83/27/198778327.db2.gz QZCOTLYSACSJLW-MLGOLLRUSA-N 0 0 313.357 3.361 10 5 DGBERN CC[C@H](NC(=O)Cc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000177793658 198778765 /nfs/dbraw/zinc/77/87/65/198778765.db2.gz TWEUVYPKNROXRC-AWEZNQCLSA-N 0 0 304.371 3.466 10 5 DGBERN Cc1nc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cs1 ZINC000170497302 432072952 /nfs/dbraw/zinc/07/29/52/432072952.db2.gz UKUUVDIVAKXPKP-VIFPVBQESA-N 0 0 305.359 3.159 10 5 DGBERN O=C(NCC1CCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179422047 199032842 /nfs/dbraw/zinc/03/28/42/199032842.db2.gz ULERZYHQNZKQBC-UHFFFAOYSA-N 0 0 303.362 3.069 10 5 DGBERN COCc1noc(CS[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000180602607 199183669 /nfs/dbraw/zinc/18/36/69/199183669.db2.gz JOGGXTIOEHKFQP-SECBINFHSA-N 0 0 309.347 3.119 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1NCc1nc2ccccc2nc1C ZINC000170749733 432078610 /nfs/dbraw/zinc/07/86/10/432078610.db2.gz FBTMPVORYJBLPN-UHFFFAOYSA-N 0 0 324.340 3.467 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1CNc1nnc(C(F)(F)F)s1 ZINC000185878501 199899661 /nfs/dbraw/zinc/89/96/61/199899661.db2.gz RPIYNYROFBFALM-UHFFFAOYSA-N 0 0 318.280 3.386 10 5 DGBERN C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccncc1 ZINC000006125078 181314540 /nfs/dbraw/zinc/31/45/40/181314540.db2.gz PPDSCRVLJRWSDZ-SECBINFHSA-N 0 0 305.721 3.134 10 5 DGBERN C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000054645707 283615694 /nfs/dbraw/zinc/61/56/94/283615694.db2.gz YLMHKFUMKIITGO-NSHDSACASA-N 0 0 319.386 3.259 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCC(F)(F)F ZINC000074242399 283792772 /nfs/dbraw/zinc/79/27/72/283792772.db2.gz RAXPTUJFTLQDTR-QMMMGPOBSA-N 0 0 302.252 3.215 10 5 DGBERN CCOP(=O)(Cc1ccc(OC)c([N+](=O)[O-])c1)OCC ZINC000091301785 193035771 /nfs/dbraw/zinc/03/57/71/193035771.db2.gz HTJPZWZRUICIFR-UHFFFAOYSA-N 0 0 303.251 3.370 10 5 DGBERN C[C@@H](C1CC1)N(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000171191331 432111381 /nfs/dbraw/zinc/11/13/81/432111381.db2.gz JPQOPNPFTGXRMQ-JTQLQIEISA-N 0 0 313.357 3.479 10 5 DGBERN Cc1cc([N+](=O)[O-])cnc1N1CCC(Cc2ccccn2)CC1 ZINC000181066262 432112376 /nfs/dbraw/zinc/11/23/76/432112376.db2.gz FOLGPVDPBFEQET-UHFFFAOYSA-N 0 0 312.373 3.152 10 5 DGBERN COc1ccc(CN(C)Cc2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000171240314 432114618 /nfs/dbraw/zinc/11/46/18/432114618.db2.gz KBJLATFQHGLKLN-UHFFFAOYSA-N 0 0 321.764 3.284 10 5 DGBERN Cc1ccc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)s1 ZINC000103374883 284028907 /nfs/dbraw/zinc/02/89/07/284028907.db2.gz WNZWOYCVOQWWTL-JTQLQIEISA-N 0 0 316.382 3.485 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000110440991 284072630 /nfs/dbraw/zinc/07/26/30/284072630.db2.gz SUHKEIYEAPXFNN-YOEHRIQHSA-N 0 0 310.353 3.437 10 5 DGBERN Cc1ccc2c(c1)[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C2 ZINC000181229773 432118851 /nfs/dbraw/zinc/11/88/51/432118851.db2.gz VSFIJGCGPDSNKM-ORAYPTAESA-N 0 0 324.380 3.495 10 5 DGBERN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H](C)C2 ZINC000181219836 432119153 /nfs/dbraw/zinc/11/91/53/432119153.db2.gz KGIYHVQJNFRLBX-BMIGLBTASA-N 0 0 300.314 3.160 10 5 DGBERN Cc1nc([C@@H]2CCCN2c2ncc(C)cc2[N+](=O)[O-])cs1 ZINC000275023474 212078606 /nfs/dbraw/zinc/07/86/06/212078606.db2.gz MSRAFOBVZDTKDP-LBPRGKRZSA-N 0 0 304.375 3.405 10 5 DGBERN CC[C@@H](N[C@@H]1CCCn2nc(C)nc21)c1cccc([N+](=O)[O-])c1 ZINC000181260252 432120580 /nfs/dbraw/zinc/12/05/80/432120580.db2.gz IUUJRUUDEBWSHJ-HUUCEWRRSA-N 0 0 315.377 3.071 10 5 DGBERN CCC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000120780630 284178268 /nfs/dbraw/zinc/17/82/68/284178268.db2.gz JQPAQPJGVPITLK-UHFFFAOYSA-N 0 0 313.313 3.143 10 5 DGBERN Cn1c(=O)ccc2ccc(NCc3ccc([N+](=O)[O-])cc3)cc21 ZINC000487188799 245031536 /nfs/dbraw/zinc/03/15/36/245031536.db2.gz GYVVKPXVUDQQLB-UHFFFAOYSA-N 0 0 309.325 3.059 10 5 DGBERN COc1cc(C)cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000488095603 245146421 /nfs/dbraw/zinc/14/64/21/245146421.db2.gz BOEQHILFBQGPFJ-UHFFFAOYSA-N 0 0 314.341 3.401 10 5 DGBERN CC(=O)Nc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000015791023 182017809 /nfs/dbraw/zinc/01/78/09/182017809.db2.gz PLBIRNWXXUOQSN-UHFFFAOYSA-N 0 0 313.313 3.114 10 5 DGBERN CC[C@H](NCc1nnc(C)n1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000181532564 432133682 /nfs/dbraw/zinc/13/36/82/432133682.db2.gz MBJXMEURKYYKTF-HNNXBMFYSA-N 0 0 315.377 3.071 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCCC[C@H]1c1nccs1 ZINC000115367072 296227620 /nfs/dbraw/zinc/22/76/20/296227620.db2.gz COISREYGYVZKPG-VIFPVBQESA-N 0 0 307.331 3.012 10 5 DGBERN CC[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000036562769 182827265 /nfs/dbraw/zinc/82/72/65/182827265.db2.gz LWRAEVPCPKJZAU-CQSZACIVSA-N 0 0 314.341 3.241 10 5 DGBERN O=[N+]([O-])c1cc(CNc2ccccc2-n2cccn2)cs1 ZINC000037562895 182908546 /nfs/dbraw/zinc/90/85/46/182908546.db2.gz ITKOTALHJJOZFF-UHFFFAOYSA-N 0 0 300.343 3.454 10 5 DGBERN O=[N+]([O-])c1ccc(NCc2cscn2)c(Br)c1 ZINC000040504996 183084432 /nfs/dbraw/zinc/08/44/32/183084432.db2.gz FPRDXWUNINTTSF-UHFFFAOYSA-N 0 0 314.164 3.426 10 5 DGBERN CCOc1ncnc(Nc2cccc3ncccc32)c1[N+](=O)[O-] ZINC000040659588 183114776 /nfs/dbraw/zinc/11/47/76/183114776.db2.gz OQVVNVOPJDSLRU-UHFFFAOYSA-N 0 0 311.301 3.075 10 5 DGBERN Cc1cc(C)cc(Nc2ncnc(N3CCCC3)c2[N+](=O)[O-])c1 ZINC000040582934 183105072 /nfs/dbraw/zinc/10/50/72/183105072.db2.gz AYVOZCOAGTZMMG-UHFFFAOYSA-N 0 0 313.361 3.345 10 5 DGBERN CNc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000040591228 183105849 /nfs/dbraw/zinc/10/58/49/183105849.db2.gz TXFWCGUMXCXEQP-UHFFFAOYSA-N 0 0 314.132 3.477 10 5 DGBERN CC(=O)c1cccc(Nc2ncnc(NC(C)C)c2[N+](=O)[O-])c1 ZINC000040593116 183106925 /nfs/dbraw/zinc/10/69/25/183106925.db2.gz PJXZEQHAQLCNLD-UHFFFAOYSA-N 0 0 315.333 3.151 10 5 DGBERN CNc1ncnc(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000040595761 183106968 /nfs/dbraw/zinc/10/69/68/183106968.db2.gz VTBHMMDDWNTMBZ-UHFFFAOYSA-N 0 0 313.239 3.189 10 5 DGBERN CCCCNc1ncnc(N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000040595101 183106979 /nfs/dbraw/zinc/10/69/79/183106979.db2.gz GVFIASBNQLHBDA-UHFFFAOYSA-N 0 0 301.350 3.365 10 5 DGBERN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000245460988 284812990 /nfs/dbraw/zinc/81/29/90/284812990.db2.gz MQBKFLSKQOSLRY-FOLVSLTJSA-N 0 0 300.358 3.310 10 5 DGBERN O=C(C[C@H]1CCOc2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000117578366 194833008 /nfs/dbraw/zinc/83/30/08/194833008.db2.gz FJYGOTUVUMQVIY-GFCCVEGCSA-N 0 0 312.325 3.490 10 5 DGBERN CC(=O)c1ccc(N(C)CCc2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000269953972 208002222 /nfs/dbraw/zinc/00/22/22/208002222.db2.gz JYCZZJGSHZKWOA-UHFFFAOYSA-N 0 0 319.386 3.241 10 5 DGBERN Cc1cc(N2C[C@H](C)O[C@H](C)[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000408440754 291943823 /nfs/dbraw/zinc/94/38/23/291943823.db2.gz AJNVKNKFROODML-RWMBFGLXSA-N 0 0 315.373 3.454 10 5 DGBERN Cc1cc(NC(=O)Cc2ccoc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000123503141 195589633 /nfs/dbraw/zinc/58/96/33/195589633.db2.gz DBCGAPVBSNKUSG-UHFFFAOYSA-N 0 0 311.297 3.226 10 5 DGBERN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCO[C@H](C2CC2)C1 ZINC000470217369 533382817 /nfs/dbraw/zinc/38/28/17/533382817.db2.gz YYTKPLGRRAIEAP-GQPJMJRUSA-N 0 0 302.374 3.109 10 5 DGBERN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H](C)C(=O)OC(C)(C)C ZINC000470205808 533385132 /nfs/dbraw/zinc/38/51/32/533385132.db2.gz GOMMSZQNIZYTQJ-KIWPFMIBSA-N 0 0 320.389 3.318 10 5 DGBERN C[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1ccncc1 ZINC000587992927 400177277 /nfs/dbraw/zinc/17/72/77/400177277.db2.gz RYXXWVZNXYDWKS-SECBINFHSA-N 0 0 315.358 3.210 10 5 DGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H](OC(F)F)C1 ZINC000588827767 400233004 /nfs/dbraw/zinc/23/30/04/400233004.db2.gz TWNMWJRHHOKDHF-LLVKDONJSA-N 0 0 314.288 3.005 10 5 DGBERN O=[N+]([O-])c1ccc([O-])cc1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000093665702 400251782 /nfs/dbraw/zinc/25/17/82/400251782.db2.gz VYYWEOXRBGBXMG-MRXNPFEDSA-N 0 0 320.389 3.224 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(NCc2nc(C)c(C)s2)c1 ZINC000092662601 400191178 /nfs/dbraw/zinc/19/11/78/400191178.db2.gz VYERURILPDGTRF-UHFFFAOYSA-N 0 0 311.338 3.428 10 5 DGBERN CCc1nn(C)c(N[C@H](C)c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000094131874 400269145 /nfs/dbraw/zinc/26/91/45/400269145.db2.gz XZRLTNSGWINTBG-MRVPVSSYSA-N 0 0 310.304 3.342 10 5 DGBERN CCc1ccc(C(=O)NC[C@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000610526089 400271332 /nfs/dbraw/zinc/27/13/32/400271332.db2.gz FEVMGTAOPJWZIN-LBPRGKRZSA-N 0 0 313.357 3.086 10 5 DGBERN O=[N+]([O-])c1c(Br)c(F)ccc1OC(F)(F)F ZINC000396062415 400281625 /nfs/dbraw/zinc/28/16/25/400281625.db2.gz UDWQVHDCMAGFQS-UHFFFAOYSA-N 0 0 303.993 3.395 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCC3(CC2)OCc2ccccc23)cn1 ZINC000610737521 400299185 /nfs/dbraw/zinc/29/91/85/400299185.db2.gz ITHQIOYLWNEEIU-UHFFFAOYSA-N 0 0 311.341 3.016 10 5 DGBERN CCOc1cccc(CCNc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000610755570 400302211 /nfs/dbraw/zinc/30/22/11/400302211.db2.gz YJAMJEVXFORKBU-UHFFFAOYSA-N 0 0 305.309 3.182 10 5 DGBERN O=[N+]([O-])c1ccc(NCC[C@@H]2COc3ccccc3O2)s1 ZINC000610808826 400309284 /nfs/dbraw/zinc/30/92/84/400309284.db2.gz PMBXSMPXWAUPOS-SNVBAGLBSA-N 0 0 306.343 3.298 10 5 DGBERN O=[N+]([O-])c1cccc(Br)c1N[C@H]1CCC[C@H](O)C1 ZINC000596081892 400312074 /nfs/dbraw/zinc/31/20/74/400312074.db2.gz BHYISGJMXAGHJH-IUCAKERBSA-N 0 0 315.167 3.073 10 5 DGBERN CCc1ccc(C(=O)Nc2ccc3nccn3c2)cc1[N+](=O)[O-] ZINC000610434271 400258498 /nfs/dbraw/zinc/25/84/98/400258498.db2.gz RFNWRNBLUHEGTF-UHFFFAOYSA-N 0 0 310.313 3.057 10 5 DGBERN CC(=O)C(C)(C)CCC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000610950028 400327213 /nfs/dbraw/zinc/32/72/13/400327213.db2.gz PQPXOMPSXUPIMH-LBPRGKRZSA-N 0 0 320.389 3.476 10 5 DGBERN C[C@H](CO)CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1 ZINC000611230549 400361892 /nfs/dbraw/zinc/36/18/92/400361892.db2.gz IJMWNJHQVNWABI-LBPRGKRZSA-N 0 0 301.346 3.379 10 5 DGBERN O=[N+]([O-])c1ccsc1NCC[C@@H]1COc2ccccc2O1 ZINC000611413530 400396294 /nfs/dbraw/zinc/39/62/94/400396294.db2.gz AVWJKGLHFXKXNC-SNVBAGLBSA-N 0 0 306.343 3.298 10 5 DGBERN O=[N+]([O-])c1cnc(N2CCC[C@@H]2C2CCOCC2)c(Cl)c1 ZINC000611467746 400405869 /nfs/dbraw/zinc/40/58/69/400405869.db2.gz FHOAJEZFFGCLJX-CYBMUJFWSA-N 0 0 311.769 3.039 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(NCCC[C@H]2CCCC[C@@H]2O)n1 ZINC000611617226 400428809 /nfs/dbraw/zinc/42/88/09/400428809.db2.gz RVHUZJLTAUVIFE-KGLIPLIRSA-N 0 0 307.394 3.350 10 5 DGBERN COc1cc(NC[C@@H](O)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000124919658 400479186 /nfs/dbraw/zinc/47/91/86/400479186.db2.gz ACBAAZLVJXOPHE-CQSZACIVSA-N 0 0 312.341 3.096 10 5 DGBERN Cc1occc1CN(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130319562 400536862 /nfs/dbraw/zinc/53/68/62/400536862.db2.gz JYAGLONHQZKATA-UHFFFAOYSA-N 0 0 313.313 3.250 10 5 DGBERN C[C@H]1CCCN(c2ccc(C(=O)N(C)C3CC3)cc2[N+](=O)[O-])C1 ZINC000046061370 400548611 /nfs/dbraw/zinc/54/86/11/400548611.db2.gz RLVPTIPBZUIPQB-LBPRGKRZSA-N 0 0 317.389 3.066 10 5 DGBERN Cc1csc([C@H](C)NCc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000612511559 400556584 /nfs/dbraw/zinc/55/65/84/400556584.db2.gz JMVZOCHPHQWTEZ-VIFPVBQESA-N 0 0 318.358 3.352 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NC(C)(C)c1cccc(F)c1 ZINC000134936422 400582272 /nfs/dbraw/zinc/58/22/72/400582272.db2.gz FEXDURNUNOZSME-UHFFFAOYSA-N 0 0 317.320 3.102 10 5 DGBERN CCOc1cccc(N2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1[N+](=O)[O-] ZINC000613048952 400647718 /nfs/dbraw/zinc/64/77/18/400647718.db2.gz GLXDJSAPFCRRFL-JSGCOSHPSA-N 0 0 322.405 3.227 10 5 DGBERN CCOc1cccc(N2CCC[C@@]3(CCCOC3)C2)c1[N+](=O)[O-] ZINC000613046255 400647528 /nfs/dbraw/zinc/64/75/28/400647528.db2.gz CLFDBFMWKQDURO-QGZVFWFLSA-N 0 0 320.389 3.391 10 5 DGBERN CNc1ccc(Nc2ncc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000148116278 400654485 /nfs/dbraw/zinc/65/44/85/400654485.db2.gz KEEZYUWHOBKUIX-UHFFFAOYSA-N 0 0 313.239 3.189 10 5 DGBERN COCC[C@@H]1CCCCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000613433668 400719107 /nfs/dbraw/zinc/71/91/07/400719107.db2.gz BQNGDHWUWLIPGW-AWEZNQCLSA-N 0 0 307.394 3.250 10 5 DGBERN Cc1cc(NC(=O)[C@@H]2C[C@H]2C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000161821461 400743146 /nfs/dbraw/zinc/74/31/46/400743146.db2.gz PNZNPJITLGJCBW-QWHCGFSZSA-N 0 0 311.341 3.436 10 5 DGBERN CC[C@H]1CCCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000155748687 400705303 /nfs/dbraw/zinc/70/53/03/400705303.db2.gz IXQKNUBZTNCWBW-ZDUSSCGKSA-N 0 0 306.362 3.155 10 5 DGBERN CC[C@@H]1CCCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000155776911 400705778 /nfs/dbraw/zinc/70/57/78/400705778.db2.gz NXYNDOMMJAJYAO-CYBMUJFWSA-N 0 0 306.362 3.155 10 5 DGBERN CC1(CNC(=O)c2cc3ccccc3c3cccnc23)COC1 ZINC000172000047 400811949 /nfs/dbraw/zinc/81/19/49/400811949.db2.gz YXIZXHRCVFAILQ-UHFFFAOYSA-N 0 0 306.365 3.154 10 5 DGBERN Cc1nn(-c2ccccc2)cc1CNc1ccc([N+](=O)[O-])nc1 ZINC000358131667 285978266 /nfs/dbraw/zinc/97/82/66/285978266.db2.gz SQECABFWCIAHDI-UHFFFAOYSA-N 0 0 309.329 3.096 10 5 DGBERN C[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000078369507 400794673 /nfs/dbraw/zinc/79/46/73/400794673.db2.gz WFEBTCCGRMRGTM-IAQYHMDHSA-N 0 0 317.320 3.095 10 5 DGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000172786548 400839357 /nfs/dbraw/zinc/83/93/57/400839357.db2.gz HMETVYYGTMGVJR-HZPDHXFCSA-N 0 0 302.374 3.427 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117578479 292293696 /nfs/dbraw/zinc/29/36/96/292293696.db2.gz KBHPWLLPVBRWDE-BZNIZROVSA-N 0 0 312.325 3.406 10 5 DGBERN Cn1cc(CNc2ccc([N+](=O)[O-])nc2)c(-c2ccccc2)n1 ZINC000360173616 286436162 /nfs/dbraw/zinc/43/61/62/286436162.db2.gz ASVGCXVSJHVIRF-UHFFFAOYSA-N 0 0 309.329 3.002 10 5 DGBERN Cc1ccc([C@H](C)OC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1[N+](=O)[O-] ZINC000176937175 164795165 /nfs/dbraw/zinc/79/51/65/164795165.db2.gz PSKSKTOHDFIGOG-ZGFBFQLVSA-N 0 0 305.330 3.075 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)Nc2ccncc2[N+](=O)[O-])cc1F ZINC000183648595 164957174 /nfs/dbraw/zinc/95/71/74/164957174.db2.gz GRZHFFAAUPIZDP-SNVBAGLBSA-N 0 0 318.308 3.320 10 5 DGBERN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC2(CCCC2)O1 ZINC000189942890 165181701 /nfs/dbraw/zinc/18/17/01/165181701.db2.gz HNFZBVAOPHHSAK-UHFFFAOYSA-N 0 0 318.373 3.159 10 5 DGBERN COC[C@@H](Cc1ccccc1)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000191470872 165252543 /nfs/dbraw/zinc/25/25/43/165252543.db2.gz VLDAHDALEJWGQB-OAHLLOKOSA-N 0 0 320.414 3.346 10 5 DGBERN Cc1cc([C@H]2CN(c3ncc([N+](=O)[O-])s3)CCO2)ccc1F ZINC000192516647 165295319 /nfs/dbraw/zinc/29/53/19/165295319.db2.gz LVKKNPWIXSFGDR-GFCCVEGCSA-N 0 0 323.349 3.077 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000192645191 165300901 /nfs/dbraw/zinc/30/09/01/165300901.db2.gz QYOKGLSYLAUCDF-VIFPVBQESA-N 0 0 322.340 3.440 10 5 DGBERN Nc1ccc([N+](=O)[O-])c(NCc2ncc(-c3ccccc3)cn2)c1 ZINC000193500147 165326268 /nfs/dbraw/zinc/32/62/68/165326268.db2.gz IHDYHOHFTNHCRL-UHFFFAOYSA-N 0 0 321.340 3.246 10 5 DGBERN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCCc2cccnc21 ZINC000193868519 165333530 /nfs/dbraw/zinc/33/35/30/165333530.db2.gz IWVRJBZQIKEXTM-LBPRGKRZSA-N 0 0 315.304 3.188 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1COc2ccccc21 ZINC000194715742 165354347 /nfs/dbraw/zinc/35/43/47/165354347.db2.gz MIGNSFLVUURAFE-CQSZACIVSA-N 0 0 313.313 3.158 10 5 DGBERN O=C(N[C@@H]1COc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000194854143 165356773 /nfs/dbraw/zinc/35/67/73/165356773.db2.gz IJOYPXQSJITLIW-GFCCVEGCSA-N 0 0 318.716 3.112 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2cccs2)c1 ZINC000136293746 432152495 /nfs/dbraw/zinc/15/24/95/432152495.db2.gz CQQGCKJZJRJWCV-UHFFFAOYSA-N 0 0 306.343 3.079 10 5 DGBERN CC(C)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182091464 432158916 /nfs/dbraw/zinc/15/89/16/432158916.db2.gz HZXWROIGBCEOJB-SECBINFHSA-N 0 0 316.304 3.218 10 5 DGBERN Cc1cccc([C@H](C)CNC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000129526734 196055686 /nfs/dbraw/zinc/05/56/86/196055686.db2.gz KJAYHZPTUZHNOQ-GFCCVEGCSA-N 0 0 313.357 3.140 10 5 DGBERN CSCCCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000172416593 432212171 /nfs/dbraw/zinc/21/21/71/432212171.db2.gz BMVKHVVTPPPJMS-UHFFFAOYSA-N 0 0 310.419 3.475 10 5 DGBERN C[C@@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1C ZINC000131397680 196164741 /nfs/dbraw/zinc/16/47/41/196164741.db2.gz NIIXNOXELRLSOQ-MNOVXSKESA-N 0 0 301.346 3.194 10 5 DGBERN C[C@H]1COC[C@H](C)N1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172574858 432222225 /nfs/dbraw/zinc/22/22/25/432222225.db2.gz AMSVDYSDFVJDKR-UWVGGRQHSA-N 0 0 320.370 3.059 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCc1ccsc1 ZINC000162616246 228258599 /nfs/dbraw/zinc/25/85/99/228258599.db2.gz BELCKXFRQMHRTP-UHFFFAOYSA-N 0 0 305.359 3.329 10 5 DGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000178338320 228339852 /nfs/dbraw/zinc/33/98/52/228339852.db2.gz MWXCDBUYIWILEI-TXEJJXNPSA-N 0 0 313.357 3.338 10 5 DGBERN Cc1ccn(-c2ccccc2CNc2cc(C)c([N+](=O)[O-])cn2)n1 ZINC000301685477 229824948 /nfs/dbraw/zinc/82/49/48/229824948.db2.gz HSXXQDOWOJBWPJ-UHFFFAOYSA-N 0 0 323.356 3.404 10 5 DGBERN C[C@H](C[C@H](O)c1ccccc1)Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302075555 230082317 /nfs/dbraw/zinc/08/23/17/230082317.db2.gz XUMRPGYFMNMYTB-PXAZEXFGSA-N 0 0 316.357 3.011 10 5 DGBERN O=C1CCc2cc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc21 ZINC000302518783 230281807 /nfs/dbraw/zinc/28/18/07/230281807.db2.gz ICZYNFGJSUWYCL-UHFFFAOYSA-N 0 0 314.253 3.424 10 5 DGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC(C)(C)O2)c1 ZINC000187348874 263672218 /nfs/dbraw/zinc/67/22/18/263672218.db2.gz IIRAAHDDOTWCSU-JTQLQIEISA-N 0 0 324.402 3.004 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCSc2ccccc21 ZINC000194748319 263819755 /nfs/dbraw/zinc/81/97/55/263819755.db2.gz CLVITQZGRMWZKE-UHFFFAOYSA-N 0 0 315.354 3.051 10 5 DGBERN CC(=O)CCC(C)(C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000349462440 264523681 /nfs/dbraw/zinc/52/36/81/264523681.db2.gz IQISOJYAEDCAJI-UHFFFAOYSA-N 0 0 303.318 3.292 10 5 DGBERN COc1cc(OC)cc(N(C)Cc2csc([N+](=O)[O-])c2)c1 ZINC000191266547 432242734 /nfs/dbraw/zinc/24/27/34/432242734.db2.gz UDYTVKOYFXSQMI-UHFFFAOYSA-N 0 0 308.359 3.310 10 5 DGBERN COC(=O)c1sccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000247848709 432252815 /nfs/dbraw/zinc/25/28/15/432252815.db2.gz QEVNMDSXLXLZBZ-UHFFFAOYSA-N 0 0 320.326 3.004 10 5 DGBERN CC[C@@H]1C[C@H](C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)CCO1 ZINC000183047050 432253640 /nfs/dbraw/zinc/25/36/40/432253640.db2.gz FWBDBAYKJYIAGV-YWPYICTPSA-N 0 0 318.373 3.078 10 5 DGBERN CCOC(=O)[C@]1(C)CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000154888657 276296092 /nfs/dbraw/zinc/29/60/92/276296092.db2.gz BXWYEHYESWQXNY-CQSZACIVSA-N 0 0 312.753 3.028 10 5 DGBERN CC(C)c1n[nH]c(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC000408173676 278001069 /nfs/dbraw/zinc/00/10/69/278001069.db2.gz MNRCNVYKIWHCEH-ZBEGNZNMSA-N 0 0 320.393 3.094 10 5 DGBERN C[C@@H]1CCC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000302698368 278501928 /nfs/dbraw/zinc/50/19/28/278501928.db2.gz WVCMDDJLHXXMKE-GHMZBOCLSA-N 0 0 319.361 3.306 10 5 DGBERN Cc1nc(C[C@@H]2CCCN(c3ccc(C)cc3[N+](=O)[O-])C2)no1 ZINC000269926452 279085442 /nfs/dbraw/zinc/08/54/42/279085442.db2.gz MDDZKAWXCUYQIS-ZDUSSCGKSA-N 0 0 316.361 3.054 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCc2ccccc21 ZINC000192628387 279157753 /nfs/dbraw/zinc/15/77/53/279157753.db2.gz GBLPEJXBFORLDE-INIZCTEOSA-N 0 0 311.341 3.058 10 5 DGBERN Cc1cn2c(n1)CC[C@@H](Nc1ccc3ncccc3c1[N+](=O)[O-])C2 ZINC000112078602 431247017 /nfs/dbraw/zinc/24/70/17/431247017.db2.gz CNQDHIBFSJMKCJ-GFCCVEGCSA-N 0 0 323.356 3.075 10 5 DGBERN Ic1cc2cccnc2c2ncccc12 ZINC000006896479 431322245 /nfs/dbraw/zinc/32/22/45/431322245.db2.gz XJRFZOAXAPEOGO-UHFFFAOYSA-N 0 0 306.106 3.388 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1COc2ccccc21 ZINC000113025416 431326654 /nfs/dbraw/zinc/32/66/54/431326654.db2.gz RUMOZBREOMADIW-ABAIWWIYSA-N 0 0 324.336 3.049 10 5 DGBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CCOc2ccccc21 ZINC000007215256 431339357 /nfs/dbraw/zinc/33/93/57/431339357.db2.gz WRFLWCPMKCPZPQ-ROJDOSBLSA-N 0 0 324.336 3.248 10 5 DGBERN C[C@H]1CC[C@H](C)N(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000075277374 431465471 /nfs/dbraw/zinc/46/54/71/431465471.db2.gz OZZROOZLOWYWAE-STQMWFEESA-N 0 0 305.378 3.044 10 5 DGBERN C[C@@H]1CC[C@H](C)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000075288328 431466348 /nfs/dbraw/zinc/46/63/48/431466348.db2.gz AXDABTJABSVZTE-QWHCGFSZSA-N 0 0 306.362 3.011 10 5 DGBERN CC(C)[C@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116618545 431518082 /nfs/dbraw/zinc/51/80/82/431518082.db2.gz RWKFWOUPQSFEJF-JTQLQIEISA-N 0 0 314.769 3.178 10 5 DGBERN Cc1cc(C(=O)N2CCC[C@@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000116043800 431481612 /nfs/dbraw/zinc/48/16/12/431481612.db2.gz CNLFKWHTXXDHAF-CQSZACIVSA-N 0 0 300.314 3.474 10 5 DGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1ccco1 ZINC000116046834 431482372 /nfs/dbraw/zinc/48/23/72/431482372.db2.gz NSVYLVBXRACPHT-CQSZACIVSA-N 0 0 300.314 3.094 10 5 DGBERN Cc1c(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)cccc1[N+](=O)[O-] ZINC000117578646 431568943 /nfs/dbraw/zinc/56/89/43/431568943.db2.gz OUBKDKLFJDZNIL-QFYYESIMSA-N 0 0 312.325 3.406 10 5 DGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCCCCO1 ZINC000408293084 280355658 /nfs/dbraw/zinc/35/56/58/280355658.db2.gz WQGWDUPCICQPIV-UHFFFAOYSA-N 0 0 301.140 3.279 10 5 DGBERN Cc1cc(C(=O)Nc2cccc3c2OCCC3)ccc1[N+](=O)[O-] ZINC000466502860 280370529 /nfs/dbraw/zinc/37/05/29/280370529.db2.gz ALBQDBIHKUFLJT-UHFFFAOYSA-N 0 0 312.325 3.481 10 5 DGBERN O=[N+]([O-])c1cnc(N2CC3(CCOCC3)[C@H]2C2CC2)c(Cl)c1 ZINC000292835577 280378330 /nfs/dbraw/zinc/37/83/30/280378330.db2.gz QCYFPLCWHRRXRW-CYBMUJFWSA-N 0 0 323.780 3.039 10 5 DGBERN COc1ncc(Br)c(/C=C/C(C)C)c1[N+](=O)[O-] ZINC000077284878 431582298 /nfs/dbraw/zinc/58/22/98/431582298.db2.gz RITVMZLEJUNEKL-SNAWJCMRSA-N 0 0 301.140 3.430 10 5 in-vitro DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCOc2cc(F)ccc21 ZINC000078789555 431706621 /nfs/dbraw/zinc/70/66/21/431706621.db2.gz GUZVTEIXIGCUTA-UHFFFAOYSA-N 0 0 316.288 3.082 10 5 DGBERN CC(=O)Nc1cc(NCc2csc([N+](=O)[O-])c2)ccc1F ZINC000037768397 431850102 /nfs/dbraw/zinc/85/01/02/431850102.db2.gz GFWPMTYOAPRJQM-UHFFFAOYSA-N 0 0 309.322 3.366 10 5 DGBERN Cc1csc([C@@H]2CCCN(c3nc(C)ccc3[N+](=O)[O-])C2)n1 ZINC000123691659 431872132 /nfs/dbraw/zinc/87/21/32/431872132.db2.gz MKEIIWVJEMDNIZ-GFCCVEGCSA-N 0 0 318.402 3.447 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCc1ccc(F)cc1 ZINC000125047339 431911658 /nfs/dbraw/zinc/91/16/58/431911658.db2.gz VHLIXMLVUZJETQ-UHFFFAOYSA-N 0 0 316.332 3.357 10 5 DGBERN CC[C@@H](NC(=O)NC[C@H]1CCCS1)c1cccc([N+](=O)[O-])c1 ZINC000125217368 431917166 /nfs/dbraw/zinc/91/71/66/431917166.db2.gz BHXDDUSWCPYMAX-ZIAGYGMSSA-N 0 0 323.418 3.241 10 5 DGBERN CCCOc1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000048195831 431920509 /nfs/dbraw/zinc/92/05/09/431920509.db2.gz LBZBARGQIRXVDZ-UHFFFAOYSA-N 0 0 315.329 3.339 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(Oc2ncncc2Br)c1 ZINC000090782992 431894534 /nfs/dbraw/zinc/89/45/34/431894534.db2.gz HRLBSWIAVIICAO-UHFFFAOYSA-N 0 0 310.107 3.248 10 5 DGBERN O=[N+]([O-])c1ccc(NCC[C@@H]2CCCO2)c(Br)c1 ZINC000049844130 431944425 /nfs/dbraw/zinc/94/44/25/431944425.db2.gz NYEGJFCYHUTAKS-JTQLQIEISA-N 0 0 315.167 3.338 10 5 DGBERN Cc1cc(C(=O)N(C)CCc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000055370204 431981242 /nfs/dbraw/zinc/98/12/42/431981242.db2.gz AKKHOWFMNADMPC-UHFFFAOYSA-N 0 0 316.332 3.357 10 5 DGBERN Cc1cccc(N[C@H]2CCc3nnc(C(C)C)n3C2)c1[N+](=O)[O-] ZINC000188372226 281248306 /nfs/dbraw/zinc/24/83/06/281248306.db2.gz PAAQSMKFNWFENZ-LBPRGKRZSA-N 0 0 315.377 3.045 10 5 DGBERN Cc1cncc(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)c1 ZINC000183690238 432316303 /nfs/dbraw/zinc/31/63/03/432316303.db2.gz SLPWEIDRBYHCKU-UHFFFAOYSA-N 0 0 322.324 3.407 10 5 DGBERN Cc1cc(NC(=O)c2cccnc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000183686166 432316671 /nfs/dbraw/zinc/31/66/71/432316671.db2.gz GSCQKKKMAOPVDX-UHFFFAOYSA-N 0 0 308.297 3.099 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCS[C@H]2CCCC[C@@H]21 ZINC000175452676 432436777 /nfs/dbraw/zinc/43/67/77/432436777.db2.gz HFMIKTVTGSUIKB-GJZGRUSLSA-N 0 0 320.414 3.403 10 5 DGBERN Cc1cc(C)c(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)o1 ZINC000175533790 432446575 /nfs/dbraw/zinc/44/65/75/432446575.db2.gz PVUXYJHCCMFBFN-SNVBAGLBSA-N 0 0 300.314 3.396 10 5 DGBERN CC[C@@H](NC(=O)c1cc(C(C)=O)c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000175187139 432409086 /nfs/dbraw/zinc/40/90/86/432409086.db2.gz YTGIUZWXFGGMPI-CQSZACIVSA-N 0 0 315.329 3.007 10 5 DGBERN O=C(C/C=C\c1cccc(F)c1)NCc1ccccc1[N+](=O)[O-] ZINC000255329231 432409845 /nfs/dbraw/zinc/40/98/45/432409845.db2.gz YUSQIRHUTDSBLY-XQRVVYSFSA-N 0 0 314.316 3.454 10 5 DGBERN CC[C@H](N[C@H](C)c1nc(C)cc(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000192762873 432410746 /nfs/dbraw/zinc/41/07/46/432410746.db2.gz MIEFSYOYHFZIBM-RISCZKNCSA-N 0 0 316.361 3.201 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2cccc2)c1 ZINC000193510010 432479599 /nfs/dbraw/zinc/47/95/99/432479599.db2.gz QVWMQECBXATNAW-UHFFFAOYSA-N 0 0 322.324 3.341 10 5 DGBERN CCc1cc(NC(=O)CSC)c2cc([N+](=O)[O-])ccc2n1 ZINC000185567517 432512432 /nfs/dbraw/zinc/51/24/32/432512432.db2.gz BFWZUSFCHYBECU-UHFFFAOYSA-N 0 0 305.359 3.007 10 5 DGBERN CC[C@@H](NC(=O)NC1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000176066844 432490533 /nfs/dbraw/zinc/49/05/33/432490533.db2.gz CAQNYXUDOVCJBL-CQSZACIVSA-N 0 0 323.418 3.241 10 5 DGBERN CC(C)[C@H]1C[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000185516599 432506916 /nfs/dbraw/zinc/50/69/16/432506916.db2.gz PGXHFPSUUTWSIX-CVEARBPZSA-N 0 0 304.390 3.326 10 5 DGBERN CCc1noc(C)c1NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000155401753 432552546 /nfs/dbraw/zinc/55/25/46/432552546.db2.gz KTBOWBQJAUJBRG-UHFFFAOYSA-N 0 0 304.306 3.406 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N([C@H](C)c1ccco1)C1CC1 ZINC000194234498 432535705 /nfs/dbraw/zinc/53/57/05/432535705.db2.gz CTIKCKZONCWFLJ-LLVKDONJSA-N 0 0 315.329 3.257 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000195227472 432612863 /nfs/dbraw/zinc/61/28/63/432612863.db2.gz VPFOYORAGLHAQD-NSHDSACASA-N 0 0 314.345 3.323 10 5 DGBERN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc2cc[nH]c2c1 ZINC000194807888 432577571 /nfs/dbraw/zinc/57/75/71/432577571.db2.gz LAKMAINJBPFGFE-UHFFFAOYSA-N 0 0 311.297 3.094 10 5 DGBERN CC[C@@H]1CN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000186288684 432578261 /nfs/dbraw/zinc/57/82/61/432578261.db2.gz BTGGALQIJHLNDU-KLAHQYIXSA-N 0 0 318.373 3.024 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1cccc(Cl)c1 ZINC000194806748 432578220 /nfs/dbraw/zinc/57/82/20/432578220.db2.gz ZVUAJNFKMCKJCU-UHFFFAOYSA-N 0 0 319.748 3.224 10 5 DGBERN O=C(NC/C=C/c1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000177378020 432617659 /nfs/dbraw/zinc/61/76/59/432617659.db2.gz GTFXLDDVKVBPNP-QPJJXVBHSA-N 0 0 300.289 3.177 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1CNc1ccc(OC2COC2)cc1 ZINC000186493862 432600938 /nfs/dbraw/zinc/60/09/38/432600938.db2.gz IRMGCOLBNSQRSJ-UHFFFAOYSA-N 0 0 314.341 3.293 10 5 DGBERN CCc1onc(C)c1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177491195 432629653 /nfs/dbraw/zinc/62/96/53/432629653.db2.gz JONNXDMYMFVQRF-JTQLQIEISA-N 0 0 317.345 3.253 10 5 DGBERN CC[C@@H](NC(=O)c1cnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000177783275 432661372 /nfs/dbraw/zinc/66/13/72/432661372.db2.gz CMLMTOARNXSXQB-GFCCVEGCSA-N 0 0 305.359 3.241 10 5 DGBERN CCC[C@H]1C[C@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000226363076 432704444 /nfs/dbraw/zinc/70/44/44/432704444.db2.gz ZLZDQGZVYQEPIT-OIBJUYFYSA-N 0 0 300.156 3.353 10 5 DGBERN Cc1cnc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000177922427 432674329 /nfs/dbraw/zinc/67/43/29/432674329.db2.gz ZCSOQNWIIBGNSW-ZETCQYMHSA-N 0 0 311.388 3.221 10 5 DGBERN CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000178036000 432686416 /nfs/dbraw/zinc/68/64/16/432686416.db2.gz LHMWMMPCPYCTFR-KBPBESRZSA-N 0 0 308.403 3.307 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCC(C)(C)O1 ZINC000189101144 432764180 /nfs/dbraw/zinc/76/41/80/432764180.db2.gz DSBHSPBUSLNTCJ-GFCCVEGCSA-N 0 0 321.377 3.291 10 5 DGBERN CCC[C@@H](N[C@@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)OCC ZINC000178671956 432764397 /nfs/dbraw/zinc/76/43/97/432764397.db2.gz HUMRTKWAQXPCGI-LSDHHAIUSA-N 0 0 308.378 3.367 10 5 DGBERN O=[N+]([O-])c1cc(Cl)c(NCC2(CCO)CC2)c(Cl)c1 ZINC000230936197 432730672 /nfs/dbraw/zinc/73/06/72/432730672.db2.gz 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433275094 /nfs/dbraw/zinc/27/50/94/433275094.db2.gz SXDGDYPZALFNAI-UHFFFAOYSA-N 0 0 324.402 3.153 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000281942445 433439219 /nfs/dbraw/zinc/43/92/19/433439219.db2.gz RSKWAZJBEGGZQB-CKEIUWERSA-N 0 0 304.390 3.423 10 5 DGBERN CCC[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000301438901 433556874 /nfs/dbraw/zinc/55/68/74/433556874.db2.gz LMRDKBXWFXMFIQ-SWLSCSKDSA-N 0 0 317.389 3.431 10 5 DGBERN CCS[C@H]1CC[C@]1(O)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000301477027 433573195 /nfs/dbraw/zinc/57/31/95/433573195.db2.gz BNFQWNGPUYJULT-STQMWFEESA-N 0 0 316.810 3.307 10 5 DGBERN COc1cc(N[C@H]2CCN(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000301410427 433543903 /nfs/dbraw/zinc/54/39/03/433543903.db2.gz XVDIZDAKVZVICX-AWEZNQCLSA-N 0 0 313.357 3.294 10 5 DGBERN CCc1ccc([C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C(C)(C)C)o1 ZINC000301581986 433621478 /nfs/dbraw/zinc/62/14/78/433621478.db2.gz TWLIGIZGESOGRS-GFCCVEGCSA-N 0 0 319.365 3.322 10 5 DGBERN COC(=O)c1cc(N(C)Cc2ccc(C)o2)cc(C)c1[N+](=O)[O-] ZINC000301733992 433701239 /nfs/dbraw/zinc/70/12/39/433701239.db2.gz QJTIYCBDPCLXQJ-UHFFFAOYSA-N 0 0 318.329 3.228 10 5 DGBERN Cc1nc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)s1 ZINC000301852111 433758281 /nfs/dbraw/zinc/75/82/81/433758281.db2.gz XKJWQWDDWNCAHQ-UHFFFAOYSA-N 0 0 308.319 3.188 10 5 DGBERN CCC[C@@]1(COC)CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000302839318 433880315 /nfs/dbraw/zinc/88/03/15/433880315.db2.gz ZCOULMDTBUVLFN-AWEZNQCLSA-N 0 0 313.785 3.429 10 5 DGBERN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC12CCC2 ZINC000357380495 433979020 /nfs/dbraw/zinc/97/90/20/433979020.db2.gz KPXQENCLETWRHW-SNVBAGLBSA-N 0 0 324.764 3.171 10 5 DGBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC12CCC2 ZINC000357380489 433980497 /nfs/dbraw/zinc/98/04/97/433980497.db2.gz KPXQENCLETWRHW-JTQLQIEISA-N 0 0 324.764 3.171 10 5 DGBERN C[C@H](O)[C@@](C)(CNc1ccc([N+](=O)[O-])nc1)Cc1ccccc1 ZINC000357670277 434122259 /nfs/dbraw/zinc/12/22/59/434122259.db2.gz FDQNSFHZAAEACV-SUMWQHHRSA-N 0 0 315.373 3.032 10 5 DGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@H]1C ZINC000505782709 294253737 /nfs/dbraw/zinc/25/37/37/294253737.db2.gz OBHVEYWZZWOGCQ-WDEREUQCSA-N 0 0 308.403 3.483 10 5 DGBERN CCOc1ccc(C(=O)N2CCC[C@@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000363927429 434188751 /nfs/dbraw/zinc/18/87/51/434188751.db2.gz WUKDKERJIBOMGO-CQSZACIVSA-N 0 0 318.373 3.398 10 5 DGBERN CC[C@@](C)(O)CN(Cc1ccccc1)c1ccc([N+](=O)[O-])nc1 ZINC000450469501 434207820 /nfs/dbraw/zinc/20/78/20/434207820.db2.gz GWNYJKSZKYKOCL-QGZVFWFLSA-N 0 0 315.373 3.157 10 5 DGBERN CN(CCC1CC1)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000515332735 294551964 /nfs/dbraw/zinc/55/19/64/294551964.db2.gz QBACRLKSNFUUIR-UHFFFAOYSA-N 0 0 316.279 3.486 10 5 DGBERN COc1cc(C(=O)N(C)C[C@@H]2CC=CCC2)c([N+](=O)[O-])cc1F ZINC000450561615 434266538 /nfs/dbraw/zinc/26/65/38/434266538.db2.gz RMBSJKGWGYFCMK-LLVKDONJSA-N 0 0 322.336 3.171 10 5 DGBERN CC(C)CC[C@H](O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000360703053 434671746 /nfs/dbraw/zinc/67/17/46/434671746.db2.gz LQUODVGUGUEVKR-LBPRGKRZSA-N 0 0 304.346 3.319 10 5 DGBERN O=[N+]([O-])c1cc(F)c(NC[C@H](CO)c2ccccc2)c(F)c1 ZINC000440589917 434721316 /nfs/dbraw/zinc/72/13/16/434721316.db2.gz VVRTZYIAMWCTRN-LLVKDONJSA-N 0 0 308.284 3.061 10 5 DGBERN CC(=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(=O)[nH]c2)no1 ZINC000445435936 434799829 /nfs/dbraw/zinc/79/98/29/434799829.db2.gz NJIZLDIKBLYBNJ-NTMALXAHSA-N 0 0 324.296 3.306 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@H]2CCCOC2)no1 ZINC000445525530 434809566 /nfs/dbraw/zinc/80/95/66/434809566.db2.gz OVLKFKWWPXUHKV-STRFDMGBSA-N 0 0 315.329 3.432 10 5 DGBERN COC(=O)c1cc([N+](=O)[O-])c(C(F)(F)F)cc1C(F)(F)F ZINC000575379277 435031910 /nfs/dbraw/zinc/03/19/10/435031910.db2.gz CRQGGFUAMHIHIN-UHFFFAOYSA-N 0 0 317.141 3.419 10 5 DGBERN CC(=O)c1cc([N+](=O)[O-])c(OC(F)F)cc1OC(F)(F)F ZINC000575667474 435042373 /nfs/dbraw/zinc/04/23/73/435042373.db2.gz NMKNJVWFKTXYAJ-UHFFFAOYSA-N 0 0 315.150 3.297 10 5 DGBERN CCOc1cc(CC)c(I)c([N+](=O)[O-])c1 ZINC000575694399 435044886 /nfs/dbraw/zinc/04/48/86/435044886.db2.gz DRRRGFQSAQALFY-UHFFFAOYSA-N 0 0 321.114 3.161 10 5 DGBERN CCOC(=O)Cc1cc(Br)c(CC)cc1[N+](=O)[O-] ZINC000575699250 435046371 /nfs/dbraw/zinc/04/63/71/435046371.db2.gz GCYWKKRBLXVUGD-UHFFFAOYSA-N 0 0 316.151 3.025 10 5 DGBERN CCOC(=O)Cc1cc(Br)c([N+](=O)[O-])cc1Cl ZINC000575699076 435046647 /nfs/dbraw/zinc/04/66/47/435046647.db2.gz BRTROTZPLNFCIA-UHFFFAOYSA-N 0 0 322.542 3.116 10 5 DGBERN COc1cc(Br)c(Br)cc1[N+](=O)[O-] ZINC000575695707 435046790 /nfs/dbraw/zinc/04/67/90/435046790.db2.gz WNUWEXIHUYOCAU-UHFFFAOYSA-N 0 0 310.929 3.128 10 5 DGBERN CCOC(=O)c1c(Cl)ccc([N+](=O)[O-])c1Br ZINC000575699226 435046908 /nfs/dbraw/zinc/04/69/08/435046908.db2.gz FFNSPMKAUKQISM-UHFFFAOYSA-N 0 0 308.515 3.187 10 5 DGBERN COc1c(Br)ccc([N+](=O)[O-])c1Br ZINC000575695804 435047062 /nfs/dbraw/zinc/04/70/62/435047062.db2.gz XSFAFEPAHUIWJO-UHFFFAOYSA-N 0 0 310.929 3.128 10 5 DGBERN CCOC(=O)Cc1cc([N+](=O)[O-])cc(Br)c1CC ZINC000575700687 435048325 /nfs/dbraw/zinc/04/83/25/435048325.db2.gz UJWWBFIOMOEOHO-UHFFFAOYSA-N 0 0 316.151 3.025 10 5 DGBERN C[C@H](Sc1ncc(Cl)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000481098417 435409298 /nfs/dbraw/zinc/40/92/98/435409298.db2.gz AKEHKUSXGUUGMG-ZETCQYMHSA-N 0 0 318.782 3.466 10 5 DGBERN O=C(NCCCC1CC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000537607336 435454915 /nfs/dbraw/zinc/45/49/15/435454915.db2.gz KJNCDSXLZWJLLE-UHFFFAOYSA-N 0 0 314.288 3.116 10 5 DGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H]1C ZINC000537134194 435425131 /nfs/dbraw/zinc/42/51/31/435425131.db2.gz VVBZXRCSJKCNAS-MNOVXSKESA-N 0 0 308.403 3.481 10 5 DGBERN COC(=O)c1cc(NCc2ccccc2)c(C)c([N+](=O)[O-])c1 ZINC000486200006 435592297 /nfs/dbraw/zinc/59/22/97/435592297.db2.gz WTURAGBRNIEUOF-UHFFFAOYSA-N 0 0 300.314 3.302 10 5 DGBERN Cn1c(=O)ccc2ccc(Nc3ccc([N+](=O)[O-])cc3F)cc21 ZINC000486024339 435587666 /nfs/dbraw/zinc/58/76/66/435587666.db2.gz BXTIFYUKNQSKQH-UHFFFAOYSA-N 0 0 313.288 3.329 10 5 DGBERN Cc1ccc(-c2noc(Cc3cccc(O)c3)n2)cc1[N+](=O)[O-] ZINC000486081450 435587905 /nfs/dbraw/zinc/58/79/05/435587905.db2.gz MQUGEHUAOKZVSC-UHFFFAOYSA-N 0 0 311.297 3.250 10 5 DGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@]2(CC=CCC2)C1 ZINC000570998322 435669187 /nfs/dbraw/zinc/66/91/87/435669187.db2.gz AGVPWWHHLAKSQU-MRXNPFEDSA-N 0 0 304.394 3.446 10 5 DGBERN Cc1ccccc1[C@]1(F)CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000572654380 435852581 /nfs/dbraw/zinc/85/25/81/435852581.db2.gz CLLDIDGCTMALLW-INIZCTEOSA-N 0 0 301.321 3.373 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC3(CCC3)[C@@H]2[C@H]2CCCO2)n1 ZINC000408226287 301202749 /nfs/dbraw/zinc/20/27/49/301202749.db2.gz MWWPNCAPKLTJCC-HIFRSBDPSA-N 0 0 317.389 3.145 10 5 DGBERN O=[N+]([O-])c1ccc(/C=C2\CCCC=C2N2CCOCC2)cc1 ZINC000103646969 304801997 /nfs/dbraw/zinc/80/19/97/304801997.db2.gz BRWZWBBKIMDUBY-FYWRMAATSA-N 0 0 300.358 3.378 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1ccsc1 ZINC000171447093 312720491 /nfs/dbraw/zinc/72/04/91/312720491.db2.gz VMOBSSLFBIGGPY-SNVBAGLBSA-N 0 0 302.355 3.177 10 5 DGBERN C[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000171809400 312731475 /nfs/dbraw/zinc/73/14/75/312731475.db2.gz IJJSVBFRCCSAFK-CQSZACIVSA-N 0 0 312.369 3.432 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](C)C(C)C)c1 ZINC000172418398 312747916 /nfs/dbraw/zinc/74/79/16/312747916.db2.gz BRHPKGHPXXXBQY-CYBMUJFWSA-N 0 0 308.378 3.080 10 5 DGBERN CC(C)[C@@H](C)CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000172579766 312751455 /nfs/dbraw/zinc/75/14/55/312751455.db2.gz XGOSIYBKCBJBAX-ZDUSSCGKSA-N 0 0 307.394 3.195 10 5 DGBERN O=[N+]([O-])c1ccc(Cl)c(CNCc2cnc3n2CCCC3)c1 ZINC000376758397 312983862 /nfs/dbraw/zinc/98/38/62/312983862.db2.gz OPVAOWIWHVPWSX-UHFFFAOYSA-N 0 0 320.780 3.071 10 5 DGBERN CC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc1Cl ZINC000543084281 314113525 /nfs/dbraw/zinc/11/35/25/314113525.db2.gz DRKIYVCTGIQQSM-UHFFFAOYSA-N 0 0 321.720 3.042 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCO[C@@H](C3CC3)C2)cc1C(F)(F)F ZINC000548597729 314458221 /nfs/dbraw/zinc/45/82/21/314458221.db2.gz UYDFDPMNKLCTMX-CYBMUJFWSA-N 0 0 316.279 3.229 10 5 DGBERN CC[C@]1(C)CCCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000557577918 314810725 /nfs/dbraw/zinc/81/07/25/314810725.db2.gz MAHGHHCNICJHMP-MRXNPFEDSA-N 0 0 321.377 3.101 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccc(Cl)cc3)C2)cn1 ZINC000563829578 315140639 /nfs/dbraw/zinc/14/06/39/315140639.db2.gz ILZBUOCBVAIXFA-ZDUSSCGKSA-N 0 0 318.764 3.334 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCOCC1CCC1 ZINC000575919760 316075165 /nfs/dbraw/zinc/07/51/65/316075165.db2.gz JVSWMFPRRXXCLP-UHFFFAOYSA-N 0 0 321.377 3.150 10 5 DGBERN CCc1ccnc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1 ZINC000180152022 323222706 /nfs/dbraw/zinc/22/27/06/323222706.db2.gz UHJFYRIJENPTCX-NSHDSACASA-N 0 0 311.341 3.144 10 5 DGBERN O=[N+]([O-])c1cccc2c1CCN2Cc1nc2cc(F)ccc2o1 ZINC000183621621 323344662 /nfs/dbraw/zinc/34/46/62/323344662.db2.gz OMYHWPNBJLEOEJ-UHFFFAOYSA-N 0 0 313.288 3.438 10 5 DGBERN COC(=O)c1ccc(CNc2cccc(OC)c2[N+](=O)[O-])cc1 ZINC000185082642 323380282 /nfs/dbraw/zinc/38/02/82/323380282.db2.gz UDAWDLIFUZXBIK-UHFFFAOYSA-N 0 0 316.313 3.002 10 5 DGBERN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000193380022 323464448 /nfs/dbraw/zinc/46/44/48/323464448.db2.gz BVFLLWQIGUENDA-QMMMGPOBSA-N 0 0 308.281 3.071 10 5 DGBERN CCNc1nc(-c2ccc([N+](=O)[O-])cc2)sc1C(=O)OCC ZINC000584639326 337379872 /nfs/dbraw/zinc/37/98/72/337379872.db2.gz PVGWEXNFNREPBU-UHFFFAOYSA-N 0 0 321.358 3.327 10 5 DGBERN COC(=O)c1cc(N[C@@H](C)c2ncc(C)s2)ccc1[N+](=O)[O-] ZINC000301586816 533894247 /nfs/dbraw/zinc/89/42/47/533894247.db2.gz WGAVCFGRYQXDMV-VIFPVBQESA-N 0 0 321.358 3.319 10 5 DGBERN COc1ccc(F)c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000446452102 533917213 /nfs/dbraw/zinc/91/72/13/533917213.db2.gz ZYXIYMJSUPKNGN-UHFFFAOYSA-N 0 0 308.240 3.134 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCC1CCOCC1 ZINC000175120611 534063294 /nfs/dbraw/zinc/06/32/94/534063294.db2.gz HRZBHFOUUYAHRU-GFCCVEGCSA-N 0 0 318.373 3.079 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(Cl)cn2)c1 ZINC000302142024 534245818 /nfs/dbraw/zinc/24/58/18/534245818.db2.gz FQQCWSIAEPBASY-UHFFFAOYSA-N 0 0 321.720 3.042 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(NCc2ccn(C3CCCC3)n2)n1 ZINC000178789869 534327450 /nfs/dbraw/zinc/32/74/50/534327450.db2.gz RYUWLEBMXVNXED-UHFFFAOYSA-N 0 0 301.350 3.222 10 5 DGBERN Cc1nc(CN(C)c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)no1 ZINC000302200008 534347395 /nfs/dbraw/zinc/34/73/95/534347395.db2.gz UUJICSUPXNGTSC-UHFFFAOYSA-N 0 0 320.349 3.100 10 5 DGBERN CC(C)(C)[C@H]1OCCC[C@H]1CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302057735 526741097 /nfs/dbraw/zinc/74/10/97/526741097.db2.gz RAINEDIBHLXYJY-BBRMVZONSA-N 0 0 322.405 3.340 10 5 DGBERN O=[N+]([O-])c1c(NCCC[C@@H]2CCCC[C@@H]2O)nc2sccn21 ZINC000154485761 527322197 /nfs/dbraw/zinc/32/21/97/527322197.db2.gz GGJKOGHERSLRAI-QWRGUYRKSA-N 0 0 324.406 3.047 10 5 DGBERN CC(=O)c1ccc(O[C@@H]2CCCC(C)(C)C2=O)c([N+](=O)[O-])c1 ZINC000412999426 527329810 /nfs/dbraw/zinc/32/98/10/527329810.db2.gz KVIBNGUOMXTSAV-CQSZACIVSA-N 0 0 305.330 3.324 10 5 DGBERN O=[N+]([O-])c1ccc(NCCC[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000154466069 527363407 /nfs/dbraw/zinc/36/34/07/527363407.db2.gz PYTMONSYPLUIDZ-ABAIWWIYSA-N 0 0 323.349 3.246 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@](C)(F)C1 ZINC000295759677 527527306 /nfs/dbraw/zinc/52/73/06/527527306.db2.gz OEABEAYVQBOYAQ-TYZQSYOASA-N 0 0 306.337 3.349 10 5 DGBERN CCOc1cc(N2CC[C@]3(O)CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301636302 528312874 /nfs/dbraw/zinc/31/28/74/528312874.db2.gz AAPXYIWUSLJDTN-SUMWQHHRSA-N 0 0 320.389 3.125 10 5 DGBERN CCOc1ccc(CNc2cc(CO)ccc2[N+](=O)[O-])cc1F ZINC000302015483 528465544 /nfs/dbraw/zinc/46/55/44/528465544.db2.gz CAWJWGZONXUYGY-UHFFFAOYSA-N 0 0 320.320 3.237 10 5 DGBERN CCC1(CC)[C@H](OC)C[C@@H]1Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000301983189 529116836 /nfs/dbraw/zinc/11/68/36/529116836.db2.gz ASDODXTZPNMLRH-LSDHHAIUSA-N 0 0 308.378 3.093 10 5 DGBERN Cc1nc(N[C@@H](C)c2cn(-c3ccccc3)nn2)ccc1[N+](=O)[O-] ZINC000301662829 536300530 /nfs/dbraw/zinc/30/05/30/536300530.db2.gz NFCNCVYUBKGUFH-NSHDSACASA-N 0 0 324.344 3.052 10 5 DGBERN COc1cc(C(=O)N[C@@H]2CCC23CCCC3)c([N+](=O)[O-])cc1F ZINC000451200220 536502853 /nfs/dbraw/zinc/50/28/53/536502853.db2.gz XQJWHNOIEIKYHK-CQSZACIVSA-N 0 0 322.336 3.195 10 5 DGBERN O=C(NCc1ccc(C(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000184579010 546183839 /nfs/dbraw/zinc/18/38/39/546183839.db2.gz MXJHGFGOGLNVNE-UHFFFAOYSA-N 0 0 306.268 3.462 10 5 DGBERN O=C(OCCc1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000732881173 574586360 /nfs/dbraw/zinc/58/63/60/574586360.db2.gz LGIVQYONNQJLLP-UHFFFAOYSA-N 0 0 310.309 3.476 10 5 DGBERN CC(C)COCCC(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734892240 574681884 /nfs/dbraw/zinc/68/18/84/574681884.db2.gz YUCGTIODCRVZEB-UHFFFAOYSA-N 0 0 315.753 3.354 10 5 DGBERN CC(C)COCCC(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000735800895 574716079 /nfs/dbraw/zinc/71/60/79/574716079.db2.gz QEYKOEVGGQZRCO-UHFFFAOYSA-N 0 0 315.753 3.354 10 5 DGBERN Cc1ccc(CN(C)C(=O)c2cccc(Cl)c2[N+](=O)[O-])o1 ZINC000149097926 620066722 /nfs/dbraw/zinc/06/67/22/620066722.db2.gz HWUNUYJUKUGVNX-UHFFFAOYSA-N 0 0 308.721 3.422 10 5 DGBERN Cc1ccc(OCC(=O)OCCc2ccccc2[N+](=O)[O-])cc1 ZINC000151230093 620432613 /nfs/dbraw/zinc/43/26/13/620432613.db2.gz LPGWNKMJOWRUPG-UHFFFAOYSA-N 0 0 315.325 3.068 10 5 DGBERN C[C@H]1CC[C@@H](CCC(=O)OCCc2ccccc2[N+](=O)[O-])O1 ZINC000151269367 620434951 /nfs/dbraw/zinc/43/49/51/620434951.db2.gz FWVBDLJZMUPHOH-JSGCOSHPSA-N 0 0 307.346 3.028 10 5 DGBERN C[C@H](OC(=O)[C@@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000113656554 620934628 /nfs/dbraw/zinc/93/46/28/620934628.db2.gz NTLIKZFCZBDYLU-XHDPSFHLSA-N 0 0 313.309 3.375 10 5 DGBERN CCc1noc(C)c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000120988401 622079260 /nfs/dbraw/zinc/07/92/60/622079260.db2.gz KRUNWLCIZNFDNO-UHFFFAOYSA-N 0 0 309.709 3.359 10 5 DGBERN Cc1nn(CCC(=O)O[C@H](C)C2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000102596927 630160201 /nfs/dbraw/zinc/16/02/01/630160201.db2.gz NMJVDLKTAMTCKH-CYBMUJFWSA-N 0 0 323.393 3.310 10 5 DGBERN COc1cccc([C@H]2C[C@H]2C(=O)Oc2cccc([N+](=O)[O-])c2)c1 ZINC000106591416 631344115 /nfs/dbraw/zinc/34/41/15/631344115.db2.gz QHNZCOFOCWEQLJ-HZPDHXFCSA-N 0 0 313.309 3.313 10 5 DGBERN COc1cccc([C@H]2C[C@@H]2C(=O)Oc2cccc([N+](=O)[O-])c2)c1 ZINC000106591413 631344349 /nfs/dbraw/zinc/34/43/49/631344349.db2.gz QHNZCOFOCWEQLJ-CVEARBPZSA-N 0 0 313.309 3.313 10 5 DGBERN COC(C)(C)CCOC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000230421386 659329620 /nfs/dbraw/zinc/32/96/20/659329620.db2.gz QITBCJIECHKMOQ-UHFFFAOYSA-N 0 0 301.726 3.220 10 5 DGBERN Cc1nn(C)cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172757979 659353529 /nfs/dbraw/zinc/35/35/29/659353529.db2.gz TYUDMYWTUZJZAH-UHFFFAOYSA-N 0 0 316.342 3.104 10 5 DGBERN O=C(NCC[C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1Cl ZINC000704850044 660822741 /nfs/dbraw/zinc/82/27/41/660822741.db2.gz UTIAIYWWWPDWJL-SECBINFHSA-N 0 0 314.794 3.121 10 5 DGBERN CC(C)(C)[S@](C)(=O)=NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000710154802 660932074 /nfs/dbraw/zinc/93/20/74/660932074.db2.gz PCUKESQARARCOJ-FQEVSTJZSA-N 0 0 318.782 3.285 10 5 DGBERN CC[C@@H](CSC)Nc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000254994614 655555755 /nfs/dbraw/zinc/55/57/55/655555755.db2.gz LSXGDJRPDQRZAY-WMADIVHISA-N 0 0 324.402 3.335 10 5 DGBERN O=[N+]([O-])c1cccc(NS(=O)(=O)/C=C/c2ccc(F)cc2)c1 ZINC000176670768 655776384 /nfs/dbraw/zinc/77/63/84/655776384.db2.gz PTRQDRXODJJDJJ-CMDGGOBGSA-N 0 0 322.317 3.147 10 5 DGBERN CC[C@H]1CCCC[C@H]1OC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000061109366 655794215 /nfs/dbraw/zinc/79/42/15/655794215.db2.gz DEGTVGJBXAMDMQ-QWHCGFSZSA-N 0 0 309.366 3.002 10 5 DGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Oc1ccccc1 ZINC000061193226 655796236 /nfs/dbraw/zinc/79/62/36/655796236.db2.gz LCFWIMBZKNRDNW-UHFFFAOYSA-N 0 0 300.314 3.393 10 5 DGBERN CO[C@H]1C[C@H](CNc2cccc(Br)c2[N+](=O)[O-])C1 ZINC000714714843 661202377 /nfs/dbraw/zinc/20/23/77/661202377.db2.gz KIBAEETYPCCZJJ-KYZUINATSA-N 0 0 315.167 3.194 10 5 DGBERN CCOc1cccnc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000177571279 655933041 /nfs/dbraw/zinc/93/30/41/655933041.db2.gz OGAYWVMDRQDEIK-UHFFFAOYSA-N 0 0 321.720 3.294 10 5 DGBERN COc1ccccc1CC(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000047176517 656211599 /nfs/dbraw/zinc/21/15/99/656211599.db2.gz FXTPOFRXZADLHD-LBPRGKRZSA-N 0 0 315.325 3.450 10 5 DGBERN C[C@@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCC1 ZINC000179148529 658338004 /nfs/dbraw/zinc/33/80/04/658338004.db2.gz GBHFJLIWNYZXRK-SNVBAGLBSA-N 0 0 302.330 3.350 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1ccc(F)c(F)c1 ZINC000128901231 658799866 /nfs/dbraw/zinc/79/98/66/658799866.db2.gz SFYFMBNPEWZMKR-SECBINFHSA-N 0 0 322.267 3.494 10 5 DGBERN C[C@H](OC(=O)[C@@H](C)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000165864594 659009363 /nfs/dbraw/zinc/00/93/63/659009363.db2.gz VJJLIEBXJOVVGO-RYUDHWBXSA-N 0 0 307.346 3.262 10 5 DGBERN C[C@@H](OC(=O)[C@@H](C)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000165864733 659009552 /nfs/dbraw/zinc/00/95/52/659009552.db2.gz VJJLIEBXJOVVGO-NWDGAFQWSA-N 0 0 307.346 3.262 10 5 DGBERN CCc1ccc(OC(=O)[C@H](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000166562947 659035367 /nfs/dbraw/zinc/03/53/67/659035367.db2.gz INJBCHOTPJXGJH-LLVKDONJSA-N 0 0 307.346 3.125 10 5 DGBERN O=[N+]([O-])c1ccc(Cl)cc1N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000228430509 659190676 /nfs/dbraw/zinc/19/06/76/659190676.db2.gz BFUBCPSEQDCZNE-NHYWBVRUSA-N 0 0 310.781 3.380 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000174483575 659435831 /nfs/dbraw/zinc/43/58/31/659435831.db2.gz DLCUGASNHWQIQZ-SOUVJXGZSA-N 0 0 319.357 3.264 10 5 DGBERN CCOCCCCOC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000174570274 659439886 /nfs/dbraw/zinc/43/98/86/659439886.db2.gz VEDTUOFMPJAAFY-UHFFFAOYSA-N 0 0 301.726 3.222 10 5 DGBERN CCOC(=O)c1cccc(OC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000069477668 659997962 /nfs/dbraw/zinc/99/79/62/659997962.db2.gz CACNCOOPVMGJNG-UHFFFAOYSA-N 0 0 321.310 3.052 10 5 DGBERN CCCCS[C@H](C)C(=O)Oc1ccc(OC)cc1[N+](=O)[O-] ZINC000072000231 660160590 /nfs/dbraw/zinc/16/05/90/660160590.db2.gz HUAWFFWMPCOEIH-SNVBAGLBSA-N 0 0 313.375 3.431 10 5 DGBERN CCC[C@@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000077942295 662047409 /nfs/dbraw/zinc/04/74/09/662047409.db2.gz DWDYQGSUZWNHRE-OAHLLOKOSA-N 0 0 317.345 3.266 10 5 DGBERN Cc1cccc(CCCOC(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000078755551 662083745 /nfs/dbraw/zinc/08/37/45/662083745.db2.gz ZQJQZBRVBRJBKY-UHFFFAOYSA-N 0 0 314.341 3.396 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ncccc1OC(C)C ZINC000079409026 662109581 /nfs/dbraw/zinc/10/95/81/662109581.db2.gz FWLIMWHVPZXGBL-UHFFFAOYSA-N 0 0 316.313 3.305 10 5 DGBERN COC(OC)[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079616629 662115689 /nfs/dbraw/zinc/11/56/89/662115689.db2.gz RJVPTAUNPNQFLR-ZETCQYMHSA-N 0 0 308.256 3.033 10 5 DGBERN Cc1ccc(OC(=O)CCOCc2ccccc2)c([N+](=O)[O-])c1 ZINC000079796357 662122046 /nfs/dbraw/zinc/12/20/46/662122046.db2.gz QRQVTPOLPNQEEF-UHFFFAOYSA-N 0 0 315.325 3.416 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Oc1cc(F)ccc1Cl ZINC000194298896 662162832 /nfs/dbraw/zinc/16/28/32/662162832.db2.gz UFVOOTMKXDABDS-UHFFFAOYSA-N 0 0 310.668 3.310 10 5 DGBERN Cc1ccc2c(c1)CCCN2C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000194841182 662174088 /nfs/dbraw/zinc/17/40/88/662174088.db2.gz NGIIEDOZRHVGJE-UHFFFAOYSA-N 0 0 311.341 3.200 10 5 DGBERN Cn1c(=O)c2c3ccccc3oc3ccc(Cl)cc3c=2c1=O ZINC000083407191 662195056 /nfs/dbraw/zinc/19/50/56/662195056.db2.gz SXBRBFUCPUGEOA-UHFFFAOYSA-N 0 0 311.724 3.023 10 5 DGBERN COC(=O)c1coc(CNc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000228160710 1177336640 /nfs/dbraw/zinc/33/66/40/1177336640.db2.gz WSJCGSMIPPXQCW-UHFFFAOYSA-N 0 0 310.693 3.240 10 5 DGBERN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(O)cc1Cl ZINC000228392386 1177855005 /nfs/dbraw/zinc/85/50/05/1177855005.db2.gz ALBFNRXSKHUDKF-UHFFFAOYSA-N 0 0 306.705 3.135 10 5 DGBERN C[C@@H]1CCC[C@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000050701858 1194611772 /nfs/dbraw/zinc/61/17/72/1194611772.db2.gz OTAPYTMDQVWBNX-SCZZXKLOSA-N 0 0 311.769 3.139 10 5 DGBERN Nc1c(Cl)cc(C(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC000050699156 1194612117 /nfs/dbraw/zinc/61/21/17/1194612117.db2.gz JZQNWARBIXKETA-UHFFFAOYSA-N 0 0 309.684 3.222 10 5 DGBERN C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000081402566 1197215157 /nfs/dbraw/zinc/21/51/57/1197215157.db2.gz PVRSKSYQVVXBSJ-NSHDSACASA-N 0 0 304.371 3.360 10 5 DGBERN COc1cc(NCCc2ccsc2)c([N+](=O)[O-])cc1OC ZINC000213826994 1201189882 /nfs/dbraw/zinc/18/98/82/1201189882.db2.gz IWKULLWTDYPWTQ-UHFFFAOYSA-N 0 0 308.359 3.328 10 5 DGBERN COc1cc(NC[C@]2(C)CCCS2)c([N+](=O)[O-])cc1OC ZINC000213857431 1201190940 /nfs/dbraw/zinc/19/09/40/1201190940.db2.gz WROCEHCUAPOERX-AWEZNQCLSA-N 0 0 312.391 3.310 10 5 DGBERN C[C@@H]1CCC[C@H](C)N1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000214998753 1202400304 /nfs/dbraw/zinc/40/03/04/1202400304.db2.gz GRLLTKQWEOZFAN-AOOOYVTPSA-N 0 0 311.769 3.156 10 5 DGBERN O=[N+]([O-])c1cc(Cl)c(N[C@H]2CN3CCC2CC3)c(Cl)c1 ZINC000236044457 1202605194 /nfs/dbraw/zinc/60/51/94/1202605194.db2.gz RHYKBMMVOOZORH-LBPRGKRZSA-N 0 0 316.188 3.408 10 5 DGBERN Cc1ccnc(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000243755541 1203594461 /nfs/dbraw/zinc/59/44/61/1203594461.db2.gz PYTKEGBWQVWGAS-UHFFFAOYSA-N 0 0 320.736 3.273 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1nccs1 ZINC000588439578 1082284812 /nfs/dbraw/zinc/28/48/12/1082284812.db2.gz RPJFMHNUHJGYJW-LUAWRHEFSA-N 0 0 317.370 3.113 10 5 DGBERN Cc1cccnc1/C=C\C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000588456634 1082334257 /nfs/dbraw/zinc/33/42/57/1082334257.db2.gz FPLVTMKGRAJEHF-HJWRWDBZSA-N 0 0 312.325 3.097 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)/C(C)=C\C(C)(C)C ZINC000588499381 1082494213 /nfs/dbraw/zinc/49/42/13/1082494213.db2.gz BWVMNNAJPDLVTB-LUAWRHEFSA-N 0 0 306.362 3.212 10 5 DGBERN C/C(=C/C(C)(C)C)C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000588501117 1082496708 /nfs/dbraw/zinc/49/67/08/1082496708.db2.gz ZKQALGNZLNJINV-LUAWRHEFSA-N 0 0 320.345 3.069 10 5 DGBERN O=[N+]([O-])c1ccc(CSc2nnc3ccccn32)cc1F ZINC000094775577 1090658919 /nfs/dbraw/zinc/65/89/19/1090658919.db2.gz PQXDNLVRHRZCDI-UHFFFAOYSA-N 0 0 304.306 3.069 10 5 DGBERN CC(C)CCCCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000147872386 1097812870 /nfs/dbraw/zinc/81/28/70/1097812870.db2.gz ORRWDGXHRIAWBD-UHFFFAOYSA-N 0 0 313.785 3.387 10 5 DGBERN CCCn1cc(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)cn1 ZINC000181282279 199276136 /nfs/dbraw/zinc/27/61/36/199276136.db2.gz TVEGVFBULGXNEN-HNNXBMFYSA-N 0 0 316.361 3.082 10 5 DGBERN Cc1cc(COC(=O)[C@H](C)c2cccnc2)ccc1[N+](=O)[O-] ZINC000181295438 199277565 /nfs/dbraw/zinc/27/75/65/199277565.db2.gz CTCBTCHNJVTDHH-GFCCVEGCSA-N 0 0 300.314 3.145 10 5 DGBERN CC[C@H](NC(=O)NC[C@@H]1CCCS1)c1cccc([N+](=O)[O-])c1 ZINC000090611335 185306699 /nfs/dbraw/zinc/30/66/99/185306699.db2.gz BHXDDUSWCPYMAX-KBPBESRZSA-N 0 0 323.418 3.241 10 5 DGBERN CC[C@H](NC(=O)N1CC[C@@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000090684609 185309276 /nfs/dbraw/zinc/30/92/76/185309276.db2.gz RILNAUFLXBSRRI-DOMZBBRYSA-N 0 0 305.378 3.487 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1cccs1 ZINC000103377635 432007750 /nfs/dbraw/zinc/00/77/50/432007750.db2.gz QEEROTKMGGSGDR-JTQLQIEISA-N 0 0 302.355 3.177 10 5 DGBERN CN(Cc1ccc(-c2cc[nH]n2)o1)Cc1ccccc1[N+](=O)[O-] ZINC000435134869 529982450 /nfs/dbraw/zinc/98/24/50/529982450.db2.gz KKKASGAZNWYWSK-UHFFFAOYSA-N 0 0 312.329 3.210 10 5 DGBERN CCC1(CC)CN(c2ccc([N+](=O)[O-])cc2C)CC[S@@]1=O ZINC000302222714 282379575 /nfs/dbraw/zinc/37/95/75/282379575.db2.gz OTHWACTYEBSEMU-OAQYLSRUSA-N 0 0 310.419 3.031 10 5 DGBERN CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H](C)c1cccnc1 ZINC000115222139 185667736 /nfs/dbraw/zinc/66/77/36/185667736.db2.gz RVWMMLGUDPANSK-NSHDSACASA-N 0 0 317.320 3.352 10 5 DGBERN C[C@@H](C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C)c1cccnc1 ZINC000174030328 295757595 /nfs/dbraw/zinc/75/75/95/295757595.db2.gz VJFOLASLCUKGLV-NWDGAFQWSA-N 0 0 311.341 3.071 10 5 DGBERN CCO[C@H](CCNC(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)C ZINC000080460501 192158592 /nfs/dbraw/zinc/15/85/92/192158592.db2.gz OAEIYBHSMNGMAW-GFCCVEGCSA-N 0 0 314.407 3.146 10 5 DGBERN COC(=O)[C@@H](C)CSc1c2ccccc2ncc1[N+](=O)[O-] ZINC000130338596 185957912 /nfs/dbraw/zinc/95/79/12/185957912.db2.gz LQQLCOLBBHMWQB-VIFPVBQESA-N 0 0 306.343 3.044 10 5 DGBERN Cc1cc([N+](=O)[O-])cnc1NCC[C@@H](C)NC(=O)OC(C)(C)C ZINC000170981939 197860825 /nfs/dbraw/zinc/86/08/25/197860825.db2.gz LINRHJXIKGALFF-LLVKDONJSA-N 0 0 324.381 3.013 10 5 DGBERN O=[N+]([O-])c1ccccc1OCc1nc(-c2cccs2)n[nH]1 ZINC000072237530 191079984 /nfs/dbraw/zinc/07/99/84/191079984.db2.gz JIJSVOIOXMRHDU-UHFFFAOYSA-N 0 0 302.315 3.020 10 5 DGBERN CCCCc1nnc(S[C@H](C)c2cccc([N+](=O)[O-])c2)n1N ZINC000172941675 198169627 /nfs/dbraw/zinc/16/96/27/198169627.db2.gz LCCLCIKAJYOXEL-SNVBAGLBSA-N 0 0 321.406 3.096 10 5 DGBERN Cn1c(CSCc2ccc([N+](=O)[O-])cc2)nnc1C1CC1 ZINC000131186552 432033926 /nfs/dbraw/zinc/03/39/26/432033926.db2.gz YTWWCVHJRUDQQY-UHFFFAOYSA-N 0 0 304.375 3.034 10 5 DGBERN Cc1cnc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000176877003 198631895 /nfs/dbraw/zinc/63/18/95/198631895.db2.gz AUIWMRARIYQCEJ-UHFFFAOYSA-N 0 0 319.386 3.333 10 5 DGBERN CCN(CCc1nccs1)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000131772841 432038540 /nfs/dbraw/zinc/03/85/40/432038540.db2.gz SYMYQKFQUJUUAY-UHFFFAOYSA-N 0 0 319.386 3.065 10 5 DGBERN Cc1csc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000067857485 432044219 /nfs/dbraw/zinc/04/42/19/432044219.db2.gz TVOLTOSZZCHCIR-SNVBAGLBSA-N 0 0 305.359 3.159 10 5 DGBERN CC(C)c1nnc(CSCc2ccc([N+](=O)[O-])cc2)n1C ZINC000179149941 432045980 /nfs/dbraw/zinc/04/59/80/432045980.db2.gz ZMUCFJHWHMKPBM-UHFFFAOYSA-N 0 0 306.391 3.280 10 5 DGBERN Cc1nc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000179161189 432047321 /nfs/dbraw/zinc/04/73/21/432047321.db2.gz JVWYBXFRJFOZST-QMMMGPOBSA-N 0 0 305.359 3.159 10 5 DGBERN O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005584117 181260817 /nfs/dbraw/zinc/26/08/17/181260817.db2.gz WOFPUJSNZSCIHV-UHFFFAOYSA-N 0 0 321.676 3.409 10 5 DGBERN Cc1cnc(CCN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000165653333 432056096 /nfs/dbraw/zinc/05/60/96/432056096.db2.gz JZHJPNYAMOFNBG-UHFFFAOYSA-N 0 0 320.374 3.066 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(N(C)Cc2nc3c(s2)CCCC3)n1 ZINC000178245163 198837209 /nfs/dbraw/zinc/83/72/09/198837209.db2.gz LWSTYPZYHJYDDF-UHFFFAOYSA-N 0 0 318.402 3.270 10 5 DGBERN COCc1ccsc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000179852601 432072663 /nfs/dbraw/zinc/07/26/63/432072663.db2.gz ZMIDPPZIPHIXFH-UHFFFAOYSA-N 0 0 306.343 3.363 10 5 DGBERN CC[C@H](NC(=O)[C@H]1CCO[C@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000180373092 199151120 /nfs/dbraw/zinc/15/11/20/199151120.db2.gz KQQGXAWPIUMRES-IMJJTQAJSA-N 0 0 320.389 3.367 10 5 DGBERN Cc1cc(NCC2(C)COC2)c(Br)cc1[N+](=O)[O-] ZINC000276640483 213018075 /nfs/dbraw/zinc/01/80/75/213018075.db2.gz PJTCNVDANJPRIH-UHFFFAOYSA-N 0 0 315.167 3.114 10 5 DGBERN CC(=O)Nc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000005921616 181296634 /nfs/dbraw/zinc/29/66/34/181296634.db2.gz RKVBFNVCNWFGHE-UHFFFAOYSA-N 0 0 313.313 3.114 10 5 DGBERN C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CCS1 ZINC000134340285 432076665 /nfs/dbraw/zinc/07/66/65/432076665.db2.gz MZFRAMKOICMQKL-MRVPVSSYSA-N 0 0 317.208 3.299 10 5 DGBERN Cc1ccc(CN(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)o1 ZINC000134492137 432078494 /nfs/dbraw/zinc/07/84/94/432078494.db2.gz RRJKZUJASXAOON-UHFFFAOYSA-N 0 0 308.721 3.422 10 5 DGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCOC1 ZINC000180199431 432081168 /nfs/dbraw/zinc/08/11/68/432081168.db2.gz RALHZUVPLFKVDM-LLVKDONJSA-N 0 0 324.402 3.004 10 5 DGBERN Cc1n[nH]c2cc(NC(=O)c3ccc([N+](=O)[O-])s3)ccc12 ZINC000180321691 432083225 /nfs/dbraw/zinc/08/32/25/432083225.db2.gz LUDVRILRVDPHCM-UHFFFAOYSA-N 0 0 302.315 3.093 10 5 DGBERN Cc1nn(CCCN(CC(F)(F)F)C(C)C)c(C)c1[N+](=O)[O-] ZINC000180313720 432083316 /nfs/dbraw/zinc/08/33/16/432083316.db2.gz AWBHUQVXQCMHCR-UHFFFAOYSA-N 0 0 322.331 3.071 10 5 DGBERN C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000180597016 432091285 /nfs/dbraw/zinc/09/12/85/432091285.db2.gz FKRPUQXYEGWHPS-SECBINFHSA-N 0 0 319.748 3.321 10 5 DGBERN C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@H](c2ccc(F)cc2)O1 ZINC000192465293 200882538 /nfs/dbraw/zinc/88/25/38/200882538.db2.gz PRPCUEULAKWCRC-BXKDBHETSA-N 0 0 323.349 3.157 10 5 DGBERN Cc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1[N+](=O)[O-] ZINC000006451362 181342098 /nfs/dbraw/zinc/34/20/98/181342098.db2.gz IYLVKXRQWIXPNU-UHFFFAOYSA-N 0 0 315.285 3.372 10 5 DGBERN Cc1ccc(S(=O)(=O)n2ccc3c2cccc3[N+](=O)[O-])cc1 ZINC000196611101 201422615 /nfs/dbraw/zinc/42/26/15/201422615.db2.gz IZJPEYFMAAJLKN-UHFFFAOYSA-N 0 0 316.338 3.095 10 5 DGBERN CCOc1c(F)cccc1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000074238318 283792416 /nfs/dbraw/zinc/79/24/16/283792416.db2.gz FLCABOQBKKBVIX-UHFFFAOYSA-N 0 0 318.304 3.409 10 5 DGBERN Cc1n[nH]c2cc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)ccc12 ZINC000091825893 193113602 /nfs/dbraw/zinc/11/36/02/193113602.db2.gz UAYWEGKYMQWVHV-UHFFFAOYSA-N 0 0 316.342 3.402 10 5 DGBERN CC(C)CCO[C@@H](C)C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103375445 284028819 /nfs/dbraw/zinc/02/88/19/284028819.db2.gz TWAWCEXUZZZDQY-OLZOCXBDSA-N 0 0 320.389 3.324 10 5 DGBERN COc1cc(C)cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1C ZINC000470443125 244170788 /nfs/dbraw/zinc/17/07/88/244170788.db2.gz BOIJIZCLXQMWOU-UHFFFAOYSA-N 0 0 314.341 3.401 10 5 DGBERN Cc1cc(N2CCC(c3cnn(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000264674692 204071881 /nfs/dbraw/zinc/07/18/81/204071881.db2.gz RAEUTCBOXCXZJI-UHFFFAOYSA-N 0 0 300.362 3.021 10 5 DGBERN COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1cccc(C)n1 ZINC000013837684 181905514 /nfs/dbraw/zinc/90/55/14/181905514.db2.gz UCDLHEFOGJRXEZ-UHFFFAOYSA-N 0 0 318.358 3.116 10 5 DGBERN CC(=O)Nc1cccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000015410303 182000499 /nfs/dbraw/zinc/00/04/99/182000499.db2.gz IDIYQUQRKHEADW-UHFFFAOYSA-N 0 0 313.313 3.114 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C(F)(F)F ZINC000288434627 220139362 /nfs/dbraw/zinc/13/93/62/220139362.db2.gz LHDAONXVLSSLGG-FLOXNTQESA-N 0 0 302.252 3.065 10 5 DGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)C1(c2ccc(F)cc2)CC1 ZINC000021695607 182283971 /nfs/dbraw/zinc/28/39/71/182283971.db2.gz ICXWRIOBWKSWLM-UHFFFAOYSA-N 0 0 300.289 3.404 10 5 DGBERN COc1cc(NCCCOCC(C)C)c([N+](=O)[O-])cc1F ZINC000136407389 284501554 /nfs/dbraw/zinc/50/15/54/284501554.db2.gz NZVNXCPEIKVTSQ-UHFFFAOYSA-N 0 0 300.330 3.217 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@H]1C ZINC000171505666 432138480 /nfs/dbraw/zinc/13/84/80/432138480.db2.gz OZCHXKNWXAKRJE-GFCCVEGCSA-N 0 0 311.341 3.058 10 5 DGBERN O=[N+]([O-])c1c(Nc2ccccc2)ncnc1Oc1cccnc1 ZINC000040647941 183113990 /nfs/dbraw/zinc/11/39/90/183113990.db2.gz DMUWCGNIPVYSAS-UHFFFAOYSA-N 0 0 309.285 3.316 10 5 DGBERN CCN(c1ccccc1)c1ncnc(OC(C)C)c1[N+](=O)[O-] ZINC000040573513 183104290 /nfs/dbraw/zinc/10/42/90/183104290.db2.gz AAFOENFUESJDPC-UHFFFAOYSA-N 0 0 302.334 3.330 10 5 DGBERN CCc1ccccc1Nc1ncnc(OC(C)C)c1[N+](=O)[O-] ZINC000040587134 183105837 /nfs/dbraw/zinc/10/58/37/183105837.db2.gz GZZRVFFSSADRTA-UHFFFAOYSA-N 0 0 302.334 3.478 10 5 DGBERN CC(C)c1ccc(Nc2ncnc(N(C)C)c2[N+](=O)[O-])cc1 ZINC000040594332 183106541 /nfs/dbraw/zinc/10/65/41/183106541.db2.gz YOHMYQPKXMHVMZ-UHFFFAOYSA-N 0 0 301.350 3.318 10 5 DGBERN Cc1ccc(C)c(Nc2ncnc(N3CCCC3)c2[N+](=O)[O-])c1 ZINC000040591752 183106580 /nfs/dbraw/zinc/10/65/80/183106580.db2.gz QXKVRHGPHSTKGS-UHFFFAOYSA-N 0 0 313.361 3.345 10 5 DGBERN CC(=O)c1cccc(Nc2ncnc(OC(C)C)c2[N+](=O)[O-])c1 ZINC000040593544 183106649 /nfs/dbraw/zinc/10/66/49/183106649.db2.gz KIGFYPZFJXNJNP-UHFFFAOYSA-N 0 0 316.317 3.118 10 5 DGBERN CNc1ncnc(Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000040595967 183106685 /nfs/dbraw/zinc/10/66/85/183106685.db2.gz CSWRZDJLPYTTBZ-UHFFFAOYSA-N 0 0 313.239 3.189 10 5 DGBERN CNc1ncnc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-] ZINC000040595725 183106723 /nfs/dbraw/zinc/10/67/23/183106723.db2.gz WAXTXCPRYNLBAQ-UHFFFAOYSA-N 0 0 314.132 3.477 10 5 DGBERN CNc1ncnc(Nc2cccc3ccc(C)nc32)c1[N+](=O)[O-] ZINC000040595674 183106901 /nfs/dbraw/zinc/10/69/01/183106901.db2.gz WJLHGUIIGNYOAH-UHFFFAOYSA-N 0 0 310.317 3.027 10 5 DGBERN CCNc1ncnc(NCc2ccccc2Cl)c1[N+](=O)[O-] ZINC000040596602 183107258 /nfs/dbraw/zinc/10/72/58/183107258.db2.gz PUZVLPXKKVZDRL-UHFFFAOYSA-N 0 0 307.741 3.082 10 5 DGBERN CC(C)c1ccc(Oc2ncnc(N(C)C)c2[N+](=O)[O-])cc1 ZINC000040608298 183108633 /nfs/dbraw/zinc/10/86/33/183108633.db2.gz IPZXJUFFVCQTSU-UHFFFAOYSA-N 0 0 302.334 3.367 10 5 DGBERN Cc1ccc(OC[C@H](O)COc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000154015791 284706961 /nfs/dbraw/zinc/70/69/61/284706961.db2.gz XJOVETFLQRRMDW-HNNXBMFYSA-N 0 0 317.341 3.030 10 5 DGBERN Cc1sc(C(=O)NCc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000104560792 194015480 /nfs/dbraw/zinc/01/54/80/194015480.db2.gz MPUSDFUOSDHNNG-UHFFFAOYSA-N 0 0 312.297 3.173 10 5 DGBERN CCCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000109912441 194297185 /nfs/dbraw/zinc/29/71/85/194297185.db2.gz DRJZULLLOGZJRP-UHFFFAOYSA-N 0 0 308.725 3.176 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CC[C@H]1CCCCO1 ZINC000110209388 194316455 /nfs/dbraw/zinc/31/64/55/194316455.db2.gz ZYXJHZNUEWOIGZ-SWLSCSKDSA-N 0 0 318.373 3.222 10 5 DGBERN Cc1ccc(C(=O)N2CCC(OCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000055909440 184000431 /nfs/dbraw/zinc/00/04/31/184000431.db2.gz PASGEPRNELZYRS-UHFFFAOYSA-N 0 0 320.389 3.180 10 5 DGBERN O=C(N[C@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1Cl ZINC000058726039 184127109 /nfs/dbraw/zinc/12/71/09/184127109.db2.gz VCJOFJKUNCCIBJ-ZDUSSCGKSA-N 0 0 318.716 3.112 10 5 DGBERN Cc1sc(C(=O)Nc2cnn(C(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000065922919 184382567 /nfs/dbraw/zinc/38/25/67/184382567.db2.gz DQSWOWPBRCTYAI-UHFFFAOYSA-N 0 0 308.363 3.169 10 5 DGBERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000117578577 194834126 /nfs/dbraw/zinc/83/41/26/194834126.db2.gz YYODXTUOAJJTKD-PSLIRLAXSA-N 0 0 316.288 3.237 10 5 DGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2ccccc2C1 ZINC000119784289 195037004 /nfs/dbraw/zinc/03/70/04/195037004.db2.gz VIMYRPPJAOLOJU-UHFFFAOYSA-N 0 0 321.336 3.275 10 5 DGBERN O=[N+]([O-])c1cccc(CN2CCO[C@H](c3cccs3)C2)c1 ZINC000157752666 197212887 /nfs/dbraw/zinc/21/28/87/197212887.db2.gz JRTBSDWHRAZDKF-AWEZNQCLSA-N 0 0 304.371 3.230 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(NCc2ccn(Cc3ccccc3)n2)n1 ZINC000343137938 254104811 /nfs/dbraw/zinc/10/48/11/254104811.db2.gz FVMMRSXQWICOPM-UHFFFAOYSA-N 0 0 323.356 3.155 10 5 DGBERN CC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000345402190 254360047 /nfs/dbraw/zinc/36/00/47/254360047.db2.gz AHNCWOBVVMURHV-SECBINFHSA-N 0 0 318.354 3.350 10 5 DGBERN C[C@@H]1CCCC[C@H]1N(C)C(=O)CSc1ncccc1[N+](=O)[O-] ZINC000120441224 195167816 /nfs/dbraw/zinc/16/78/16/195167816.db2.gz PHQZVTDWRVJXCV-VXGBXAGGSA-N 0 0 323.418 3.119 10 5 DGBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(F)cc1Cl ZINC000124397977 195637442 /nfs/dbraw/zinc/63/74/42/195637442.db2.gz LPHAQTIKPOKBBX-ZETCQYMHSA-N 0 0 312.684 3.471 10 5 DGBERN CO[C@@H]1CN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC[C@@H]1C ZINC000302528380 533483908 /nfs/dbraw/zinc/48/39/08/533483908.db2.gz DTXAXVOARLXMQC-TVQRCGJNSA-N 0 0 316.304 3.057 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccccc1C ZINC000017963904 400181099 /nfs/dbraw/zinc/18/10/99/400181099.db2.gz CIFQKVQPOGEAIY-LBPRGKRZSA-N 0 0 314.341 3.403 10 5 DGBERN O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCC[C@@H]3O)ccc2c1 ZINC000315924321 400147755 /nfs/dbraw/zinc/14/77/55/400147755.db2.gz QDZSQVOUOIWLPX-WFASDCNBSA-N 0 0 301.346 3.106 10 5 DGBERN CN(C(=O)c1cccc([N+](=O)[O-])c1N)C(C)(C)c1ccccc1 ZINC000586834376 400166087 /nfs/dbraw/zinc/16/60/87/400166087.db2.gz HUJDGCYWGBGREL-UHFFFAOYSA-N 0 0 313.357 3.184 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@H](O)C2)c(Br)c1 ZINC000610273853 400230603 /nfs/dbraw/zinc/23/06/03/400230603.db2.gz RPSWVUDTMIKVJW-SCZZXKLOSA-N 0 0 315.167 3.073 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@H](O)C2)c(Br)c1 ZINC000610273855 400230995 /nfs/dbraw/zinc/23/09/95/400230995.db2.gz RPSWVUDTMIKVJW-WPRPVWTQSA-N 0 0 315.167 3.073 10 5 DGBERN Cc1cccc(C(=O)NCCCc2cccc(F)c2)c1[N+](=O)[O-] ZINC000068179576 400241021 /nfs/dbraw/zinc/24/10/21/400241021.db2.gz SWGLYIHBNVDMEK-UHFFFAOYSA-N 0 0 316.332 3.405 10 5 DGBERN CCc1nn(C)c(N(C)Cc2ccc(SC)cc2)c1[N+](=O)[O-] ZINC000094131684 400268002 /nfs/dbraw/zinc/26/80/02/400268002.db2.gz GUQJNTDHPHOFLZ-UHFFFAOYSA-N 0 0 320.418 3.249 10 5 DGBERN CCc1nn(C)c(N[C@@H](C)c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000094131873 400269170 /nfs/dbraw/zinc/26/91/70/400269170.db2.gz XZRLTNSGWINTBG-QMMMGPOBSA-N 0 0 310.304 3.342 10 5 DGBERN O=[N+]([O-])c1c(Br)ccc(F)c1OC(F)(F)F ZINC000396065021 400281613 /nfs/dbraw/zinc/28/16/13/400281613.db2.gz ZPLMPIKWESBPGG-UHFFFAOYSA-N 0 0 303.993 3.395 10 5 DGBERN O=[N+]([O-])c1c(F)ccc(OC(F)(F)F)c1Br ZINC000396060889 400281816 /nfs/dbraw/zinc/28/18/16/400281816.db2.gz QWYIHDGWUNCZMJ-UHFFFAOYSA-N 0 0 303.993 3.395 10 5 DGBERN O=[N+]([O-])c1ccc(F)c(Br)c1OC(F)(F)F ZINC000396048339 400281865 /nfs/dbraw/zinc/28/18/65/400281865.db2.gz CRYHMYFHOLMVFJ-UHFFFAOYSA-N 0 0 303.993 3.395 10 5 DGBERN CCOC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000035333628 400387524 /nfs/dbraw/zinc/38/75/24/400387524.db2.gz LDLOQQVWVJIGCB-UHFFFAOYSA-N 0 0 308.515 3.187 10 5 DGBERN O=[N+]([O-])c1ncccc1NCCOCc1ccc(Cl)cc1 ZINC000611084192 400343524 /nfs/dbraw/zinc/34/35/24/400343524.db2.gz SGGOLIOKTHQRQD-UHFFFAOYSA-N 0 0 307.737 3.272 10 5 DGBERN O=[N+]([O-])c1ccsc1NCC[C@H]1COc2ccccc2O1 ZINC000611413529 400396235 /nfs/dbraw/zinc/39/62/35/400396235.db2.gz AVWJKGLHFXKXNC-JTQLQIEISA-N 0 0 306.343 3.298 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(NCCC[C@H]2CCCC[C@H]2O)n1 ZINC000611617228 400429118 /nfs/dbraw/zinc/42/91/18/400429118.db2.gz RVHUZJLTAUVIFE-ZIAGYGMSSA-N 0 0 307.394 3.350 10 5 DGBERN Cc1c(CC(=O)NC[C@H]2C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000122311390 400460312 /nfs/dbraw/zinc/46/03/12/400460312.db2.gz RHQNUUDKYXJZNH-IAGOWNOFSA-N 0 0 324.380 3.366 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1ccccc1F ZINC000125758368 400485529 /nfs/dbraw/zinc/48/55/29/400485529.db2.gz MQWBKANNWSHNCK-UHFFFAOYSA-N 0 0 304.277 3.060 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(C[C@@H]2CCCO2)no1 ZINC000612605492 400574435 /nfs/dbraw/zinc/57/44/35/400574435.db2.gz OIDHXNLPKZHWKT-MARXPDLDSA-N 0 0 315.329 3.260 10 5 DGBERN CCCC[C@@H](N[C@@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000135240529 400585288 /nfs/dbraw/zinc/58/52/88/400585288.db2.gz FTJWOCCAHFZHBD-LSDHHAIUSA-N 0 0 308.378 3.367 10 5 DGBERN C[C@H](CNc1ncc([N+](=O)[O-])cc1Br)CC(F)F ZINC000591966303 400589278 /nfs/dbraw/zinc/58/92/78/400589278.db2.gz WOWRVHKRRHDIBD-LURJTMIESA-N 0 0 324.125 3.456 10 5 DGBERN C[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)CC(F)F ZINC000591966304 400589446 /nfs/dbraw/zinc/58/94/46/400589446.db2.gz WOWRVHKRRHDIBD-ZCFIWIBFSA-N 0 0 324.125 3.456 10 5 DGBERN CC(=O)c1ccc(OCc2cnc(C3CC3)o2)c([N+](=O)[O-])c1 ZINC000603422461 400684913 /nfs/dbraw/zinc/68/49/13/400684913.db2.gz HTYFICCSIBOFBL-UHFFFAOYSA-N 0 0 302.286 3.242 10 5 DGBERN CC(C)[C@@H](C)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000160885036 400736728 /nfs/dbraw/zinc/73/67/28/400736728.db2.gz AKXYWQFHTXMUBU-CYBMUJFWSA-N 0 0 307.394 3.261 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000054212169 400814375 /nfs/dbraw/zinc/81/43/75/400814375.db2.gz MEMXJNGLNKMCAE-MRXNPFEDSA-N 0 0 311.341 3.179 10 5 DGBERN Cc1ccc(CCC(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000078149518 400774065 /nfs/dbraw/zinc/77/40/65/400774065.db2.gz UZDFYPRKHQQQOL-UHFFFAOYSA-N 0 0 310.353 3.425 10 5 DGBERN CCCC[C@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000171175998 400788198 /nfs/dbraw/zinc/78/81/98/400788198.db2.gz PPZNORYMFDNANJ-WFASDCNBSA-N 0 0 305.378 3.387 10 5 DGBERN CC[C@@H](NC(=O)N(C)[C@H](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000176688963 400872142 /nfs/dbraw/zinc/87/21/42/400872142.db2.gz ZEFVELIPABSMBO-IAQYHMDHSA-N 0 0 305.378 3.486 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H](C)S[C@H](C)C2)c1 ZINC000080651956 400974702 /nfs/dbraw/zinc/97/47/02/400974702.db2.gz GHAUYVXYCTYLAK-RKDXNWHRSA-N 0 0 300.355 3.073 10 5 DGBERN CNC(=O)c1ccc(N2CCC[C@@H]2CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000057831122 401029377 /nfs/dbraw/zinc/02/93/77/401029377.db2.gz PXAFMVZMUGPHFU-CYBMUJFWSA-N 0 0 319.405 3.359 10 5 DGBERN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCO[C@@H](CCF)C1 ZINC000600205387 401220783 /nfs/dbraw/zinc/22/07/83/401220783.db2.gz QWXFHSJOJYNDIV-OVHOFWQVSA-N 0 0 308.353 3.059 10 5 DGBERN O=[N+]([O-])c1ccc(NCc2coc(-c3cccs3)n2)cn1 ZINC000358432683 286061327 /nfs/dbraw/zinc/06/13/27/286061327.db2.gz WXEBHJGITFQYJK-UHFFFAOYSA-N 0 0 302.315 3.318 10 5 DGBERN Cc1nccc(CSCCOc2ccccc2[N+](=O)[O-])n1 ZINC000359134749 286244851 /nfs/dbraw/zinc/24/48/51/286244851.db2.gz QHQPMGMGNJIDHZ-UHFFFAOYSA-N 0 0 305.359 3.005 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1CSCc1ccnc(C)n1 ZINC000359157818 286250778 /nfs/dbraw/zinc/25/07/78/286250778.db2.gz VHFHLHSINOBOAE-UHFFFAOYSA-N 0 0 305.359 3.135 10 5 DGBERN O=[N+]([O-])c1ccc(NCC[C@H]2COc3ccccc3O2)cc1 ZINC000360784299 286534526 /nfs/dbraw/zinc/53/45/26/286534526.db2.gz ZJWVDDSZHUYLMY-AWEZNQCLSA-N 0 0 300.314 3.237 10 5 DGBERN O=[N+]([O-])c1ccc(NCc2ccc(O)c(Br)c2)cn1 ZINC000360929342 286556595 /nfs/dbraw/zinc/55/65/95/286556595.db2.gz GKZMAUPZJRBPTK-UHFFFAOYSA-N 0 0 324.134 3.070 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000408039080 165942990 /nfs/dbraw/zinc/94/29/90/165942990.db2.gz RYGIUAJCACOJQR-HZSPNIEDSA-N 0 0 317.389 3.387 10 5 DGBERN CC[C@H](NC(=O)Cc1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC000175457906 164758226 /nfs/dbraw/zinc/75/82/26/164758226.db2.gz UUUIWFFEBVMQJB-HNNXBMFYSA-N 0 0 314.341 3.110 10 5 DGBERN CC[C@@H](NC(=O)Cc1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC000175457922 164758841 /nfs/dbraw/zinc/75/88/41/164758841.db2.gz UUUIWFFEBVMQJB-OAHLLOKOSA-N 0 0 314.341 3.110 10 5 DGBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000180883387 164896809 /nfs/dbraw/zinc/89/68/09/164896809.db2.gz YXDIRFSXBSMCQW-UHFFFAOYSA-N 0 0 323.352 3.107 10 5 DGBERN Cc1ccc(-n2cccn2)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000189819795 165178768 /nfs/dbraw/zinc/17/87/68/165178768.db2.gz PDTHAKAHVJZQJF-UHFFFAOYSA-N 0 0 322.324 3.341 10 5 DGBERN O=[N+]([O-])c1cnc(N2CCC(Oc3ccc(F)cc3)CC2)s1 ZINC000190329122 165199362 /nfs/dbraw/zinc/19/93/62/165199362.db2.gz MMIORAYOTHRXEZ-UHFFFAOYSA-N 0 0 323.349 3.238 10 5 DGBERN Nc1ccc([N+](=O)[O-])c(N2CCC(Cc3ccccn3)CC2)c1 ZINC000193566883 165328097 /nfs/dbraw/zinc/32/80/97/165328097.db2.gz CINLAUHXCZGPRG-UHFFFAOYSA-N 0 0 312.373 3.031 10 5 DGBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)c1cn[nH]c1 ZINC000229725668 165392156 /nfs/dbraw/zinc/39/21/56/165392156.db2.gz CCCWBHJQGLQETK-SSDOTTSWSA-N 0 0 311.139 3.254 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2sccc2C)c1 ZINC000136300284 432152664 /nfs/dbraw/zinc/15/26/64/432152664.db2.gz IZKZDXIACVDJRS-UHFFFAOYSA-N 0 0 306.343 3.363 10 5 DGBERN COCc1ccsc1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000182062301 432156553 /nfs/dbraw/zinc/15/65/53/432156553.db2.gz QBBYGGXCECCTBW-UHFFFAOYSA-N 0 0 318.354 3.006 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1CCCCO1 ZINC000182229235 432167866 /nfs/dbraw/zinc/16/78/66/432167866.db2.gz UDIXDCMKOAAXEW-HBIYDYFMSA-N 0 0 305.330 3.110 10 5 DGBERN CCc1nc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cs1 ZINC000182767108 432225373 /nfs/dbraw/zinc/22/53/73/432225373.db2.gz UOVGUHXHTCLFHF-UHFFFAOYSA-N 0 0 320.374 3.244 10 5 DGBERN COc1cccc2c1CCN(Cc1csc([N+](=O)[O-])c1)C2 ZINC000182726959 432222560 /nfs/dbraw/zinc/22/25/60/432222560.db2.gz CYUSKHWGIPKLMR-UHFFFAOYSA-N 0 0 304.371 3.223 10 5 DGBERN CCN(CCc1nccs1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000131914131 196209688 /nfs/dbraw/zinc/20/96/88/196209688.db2.gz FGXJNJYLXGGOIS-UHFFFAOYSA-N 0 0 319.386 3.065 10 5 DGBERN Cc1ccn(-c2ccccc2CNc2ccc([N+](=O)[O-])c(C)n2)n1 ZINC000132220641 196236228 /nfs/dbraw/zinc/23/62/28/196236228.db2.gz ZRCFOWCYMURESR-UHFFFAOYSA-N 0 0 323.356 3.404 10 5 DGBERN CSCC[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000134362369 196381763 /nfs/dbraw/zinc/38/17/63/196381763.db2.gz IYTOCJIQRFGFOM-MRVPVSSYSA-N 0 0 302.421 3.178 10 5 DGBERN Cc1cc(NC[C@@H](O)C(C)(C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000302000292 230027080 /nfs/dbraw/zinc/02/70/80/230027080.db2.gz IVVWWRNBKIZHSA-CQSZACIVSA-N 0 0 303.362 3.270 10 5 DGBERN C[C@@H]1[C@H](c2ccccc2)CCN1c1cc(CO)ccc1[N+](=O)[O-] ZINC000302051872 230067298 /nfs/dbraw/zinc/06/72/98/230067298.db2.gz PCRBSPHUOCYZFS-CZUORRHYSA-N 0 0 312.369 3.470 10 5 DGBERN Cc1ccc2c(c1)[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H](C)C2 ZINC000181229756 263580463 /nfs/dbraw/zinc/58/04/63/263580463.db2.gz VSFIJGCGPDSNKM-YJYMSZOUSA-N 0 0 324.380 3.495 10 5 DGBERN CC[C@@H](NCc1cn(C(C)(C)C)nn1)c1cccc([N+](=O)[O-])c1 ZINC000191290090 432244787 /nfs/dbraw/zinc/24/47/87/432244787.db2.gz FNXDBOMUQHXBFM-OAHLLOKOSA-N 0 0 317.393 3.182 10 5 DGBERN CCCN(C[C@H]1CCCCO1)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000172988709 432250500 /nfs/dbraw/zinc/25/05/00/432250500.db2.gz TUNXXSXIHRQTME-CQSZACIVSA-N 0 0 320.389 3.325 10 5 DGBERN COc1cc(Oc2ncnc3c(F)cccc23)ccc1[N+](=O)[O-] ZINC000359887029 271009710 /nfs/dbraw/zinc/00/97/10/271009710.db2.gz NVNSLRRIVFZKAO-UHFFFAOYSA-N 0 0 315.260 3.478 10 5 DGBERN CC1(C)CN(c2ncc([N+](=O)[O-])cc2F)CC2(CCCC2)O1 ZINC000408466292 276137054 /nfs/dbraw/zinc/13/70/54/276137054.db2.gz IUQRGKCFPUGGLC-UHFFFAOYSA-N 0 0 309.341 3.057 10 5 DGBERN CCC(CC)N(C)c1ncc([N+](=O)[O-])cc1Br ZINC000301561312 276210136 /nfs/dbraw/zinc/21/01/36/276210136.db2.gz IYXWKZCVKSPIHH-UHFFFAOYSA-N 0 0 302.172 3.377 10 5 DGBERN CC(C)(C)OC(=O)N1Cc2cc([N+](=O)[O-])cnc2C(C)(C)C1 ZINC000091353372 277196501 /nfs/dbraw/zinc/19/65/01/277196501.db2.gz IGTJNWLRJZJLJV-UHFFFAOYSA-N 0 0 307.350 3.018 10 5 DGBERN COc1cccc2c1CCN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC000272947839 278031303 /nfs/dbraw/zinc/03/13/03/278031303.db2.gz WYCILIBCWQJZQM-UHFFFAOYSA-N 0 0 319.748 3.215 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnn1C(C)(C)C ZINC000154644726 278746003 /nfs/dbraw/zinc/74/60/03/278746003.db2.gz SPZOPZRCIKXHBR-UHFFFAOYSA-N 0 0 302.334 3.107 10 5 DGBERN C[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@@H]1O ZINC000408108605 278798488 /nfs/dbraw/zinc/79/84/88/278798488.db2.gz SLLACYBTRZDUJQ-HQJQHLMTSA-N 0 0 305.161 3.109 10 5 DGBERN Cc1c(CN2CCCC[C@@H]2c2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000114203105 431378078 /nfs/dbraw/zinc/37/80/78/431378078.db2.gz GYIHTZDRFBKWON-MRXNPFEDSA-N 0 0 300.362 3.354 10 5 DGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CC=CCC2)C1 ZINC000114436755 431387758 /nfs/dbraw/zinc/38/77/58/431387758.db2.gz STWKEAFMAFKHPK-SFHVURJKSA-N 0 0 314.385 3.486 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(C)C)CC1 ZINC000114665709 431404066 /nfs/dbraw/zinc/40/40/66/431404066.db2.gz RRLANSKGRNOWHJ-CYBMUJFWSA-N 0 0 305.378 3.197 10 5 DGBERN C[C@@H]1CC[C@H](C)CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000075277376 431465057 /nfs/dbraw/zinc/46/50/57/431465057.db2.gz OZZROOZLOWYWAE-QWHCGFSZSA-N 0 0 305.378 3.044 10 5 DGBERN C[C@@H]1CC[C@H](C)N(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000075288325 431465906 /nfs/dbraw/zinc/46/59/06/431465906.db2.gz AXDABTJABSVZTE-OLZOCXBDSA-N 0 0 306.362 3.011 10 5 DGBERN Cc1cc(C(=O)N2CCC[C@@H]2c2ccco2)cc([N+](=O)[O-])c1 ZINC000116045831 431483396 /nfs/dbraw/zinc/48/33/96/431483396.db2.gz XCNDFMKHMOBHMZ-CQSZACIVSA-N 0 0 300.314 3.474 10 5 DGBERN Cn1cc([C@@H]2CCCN2Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000116277210 431499154 /nfs/dbraw/zinc/49/91/54/431499154.db2.gz CAPMZKRGAAHPMW-AWEZNQCLSA-N 0 0 320.780 3.319 10 5 DGBERN C[C@H]1c2ccccc2O[C@H]1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000117585932 431570028 /nfs/dbraw/zinc/57/00/28/431570028.db2.gz BDGSQKZLJKRPDJ-MEDUHNTESA-N 0 0 312.325 3.122 10 5 DGBERN O=[N+]([O-])c1cc(Br)cnc1N1C[C@@H]2CC=CC[C@H]2C1 ZINC000301707014 280356609 /nfs/dbraw/zinc/35/66/09/280356609.db2.gz VZOVVCFFHSWLGW-UWVGGRQHSA-N 0 0 324.178 3.155 10 5 DGBERN Cc1cc(C(=O)N2CCC(OCC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000079204017 431720593 /nfs/dbraw/zinc/72/05/93/431720593.db2.gz WJYHRLQGRUCPCB-UHFFFAOYSA-N 0 0 320.389 3.180 10 5 DGBERN O=C(C/C=C/c1ccc(F)cc1)NCc1cccc([N+](=O)[O-])c1 ZINC000081595981 431795383 /nfs/dbraw/zinc/79/53/83/431795383.db2.gz SALSWOZGJGXQCV-NSCUHMNNSA-N 0 0 314.316 3.454 10 5 DGBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](c2ccco2)C1 ZINC000121329772 431773740 /nfs/dbraw/zinc/77/37/40/431773740.db2.gz FJYMBIMUDZZNFP-WBMJQRKESA-N 0 0 302.330 3.322 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000088235140 431856485 /nfs/dbraw/zinc/85/64/85/431856485.db2.gz MXXHFZPFZLWKNX-GFCCVEGCSA-N 0 0 316.332 3.462 10 5 DGBERN Cc1ccccc1[C@@H](C)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000042801110 431865385 /nfs/dbraw/zinc/86/53/85/431865385.db2.gz BISIJOGRRBSZPA-CYBMUJFWSA-N 0 0 313.357 3.464 10 5 DGBERN C[C@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000043289474 431867871 /nfs/dbraw/zinc/86/78/71/431867871.db2.gz AXMBJEVAEVYHQU-JTQLQIEISA-N 0 0 305.359 3.217 10 5 DGBERN C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000044653055 431876458 /nfs/dbraw/zinc/87/64/58/431876458.db2.gz DIQKQSDLNYZRDS-QMMMGPOBSA-N 0 0 316.342 3.024 10 5 DGBERN CC[C@H](NC(=O)Nc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000090090248 431889529 /nfs/dbraw/zinc/88/95/29/431889529.db2.gz GVOKQQBEZVKKEE-AWEZNQCLSA-N 0 0 300.318 3.263 10 5 DGBERN Cc1ccccc1[C@@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124623828 431900201 /nfs/dbraw/zinc/90/02/01/431900201.db2.gz OHOGHFKZHBEDSC-LLVKDONJSA-N 0 0 300.318 3.181 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2cc(F)ccc2C1 ZINC000091687485 431904959 /nfs/dbraw/zinc/90/49/59/431904959.db2.gz ZJAOKAMITHZXAW-UHFFFAOYSA-N 0 0 314.316 3.241 10 5 DGBERN CC[C@@H]1CN(c2cc(OC)c(F)cc2[N+](=O)[O-])CCS1 ZINC000127337556 431969921 /nfs/dbraw/zinc/96/99/21/431969921.db2.gz CBGGIJCQMHLKFP-SECBINFHSA-N 0 0 300.355 3.074 10 5 DGBERN CC1(C)CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000128219761 431989848 /nfs/dbraw/zinc/98/98/48/431989848.db2.gz UQYKGGYZVGLKJP-UHFFFAOYSA-N 0 0 306.362 3.059 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N(CCC(C)C)CCC(C)C)n1 ZINC000191496334 432271092 /nfs/dbraw/zinc/27/10/92/432271092.db2.gz FHFQDPRKAGBNDE-UHFFFAOYSA-N 0 0 324.425 3.346 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CCC2CCCCC2)n1 ZINC000191617625 432284326 /nfs/dbraw/zinc/28/43/26/432284326.db2.gz KSACHFUJUKHOHV-GFCCVEGCSA-N 0 0 322.409 3.290 10 5 DGBERN CCCN(CC1CCCCC1)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191782242 432300738 /nfs/dbraw/zinc/30/07/38/432300738.db2.gz VBINVUNAQZIBJF-UHFFFAOYSA-N 0 0 322.409 3.244 10 5 DGBERN CC[C@@H]([NH2+]C[C@@H]1CC2(CCC2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000192161630 432338425 /nfs/dbraw/zinc/33/84/25/432338425.db2.gz YKEYCPABGCNNNC-LSDHHAIUSA-N 0 0 318.373 3.121 10 5 DGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)Cc1ccc(F)cc1 ZINC000183626637 432310256 /nfs/dbraw/zinc/31/02/56/432310256.db2.gz JKBUWACTDGDSPF-UHFFFAOYSA-N 0 0 302.305 3.315 10 5 DGBERN O=[N+]([O-])c1cccc2c1CCN2Cc1nc(C2CCCC2)no1 ZINC000183630044 432311399 /nfs/dbraw/zinc/31/13/99/432311399.db2.gz BIWZKBRGRMQCGZ-UHFFFAOYSA-N 0 0 314.345 3.198 10 5 DGBERN Cc1c(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)ccn1C ZINC000192548337 432386980 /nfs/dbraw/zinc/38/69/80/432386980.db2.gz OBAQHBFQLGYYRV-UHFFFAOYSA-N 0 0 313.357 3.047 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)COCc1ccccc1 ZINC000192631820 432395522 /nfs/dbraw/zinc/39/55/22/432395522.db2.gz YJXFDWRQKCALSV-GFCCVEGCSA-N 0 0 318.377 3.137 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CCC2)C1 ZINC000184909264 432444905 /nfs/dbraw/zinc/44/49/05/432444905.db2.gz ZEXSGYWDPSRCMR-ACCUITESSA-N 0 0 300.358 3.401 10 5 DGBERN Cc1ccc([C@@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000193638532 432486951 /nfs/dbraw/zinc/48/69/51/432486951.db2.gz BLLFTGMQVLUCCC-GFCCVEGCSA-N 0 0 317.345 3.094 10 5 DGBERN CCC1CCC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000193845158 432502541 /nfs/dbraw/zinc/50/25/41/432502541.db2.gz MNIPJCHGIFQNHJ-UHFFFAOYSA-N 0 0 320.389 3.449 10 5 DGBERN Cc1cc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)ccc1O ZINC000157019855 432611733 /nfs/dbraw/zinc/61/17/33/432611733.db2.gz PMGZLYHIZIIOLY-UHFFFAOYSA-N 0 0 311.297 3.342 10 5 DGBERN CC(C)c1nnc(COc2ccc([N+](=O)[O-])cc2Cl)n1C ZINC000194655761 432566508 /nfs/dbraw/zinc/56/65/08/432566508.db2.gz GPCCAWYYLUXIGO-UHFFFAOYSA-N 0 0 310.741 3.079 10 5 DGBERN Cc1ccc([C@@H](C)OC(=O)CC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000176946223 432569493 /nfs/dbraw/zinc/56/94/93/432569493.db2.gz BTMKZMSVSBNCMC-OLZOCXBDSA-N 0 0 307.346 3.324 10 5 DGBERN Cc1cccc(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000156052914 432587060 /nfs/dbraw/zinc/58/70/60/432587060.db2.gz UKKZPMVOYZNVAB-UHFFFAOYSA-N 0 0 323.352 3.357 10 5 DGBERN COc1ccc(OCCCC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000186501646 432601529 /nfs/dbraw/zinc/60/15/29/432601529.db2.gz YTILGQGUPPOTPC-UHFFFAOYSA-N 0 0 311.334 3.104 10 5 DGBERN CSc1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000195519503 432626978 /nfs/dbraw/zinc/62/69/78/432626978.db2.gz SZTPYGOEOCGYLW-UHFFFAOYSA-N 0 0 303.343 3.272 10 5 DGBERN CC(F)(F)c1cccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1 ZINC000187369925 432661793 /nfs/dbraw/zinc/66/17/93/432661793.db2.gz KSZMMMNZYRYQHG-UHFFFAOYSA-N 0 0 323.255 3.059 10 5 DGBERN CC[C@H](NC(=O)C(F)(F)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000177801703 432663323 /nfs/dbraw/zinc/66/33/23/432663323.db2.gz MCALVWSFXJASEL-VIFPVBQESA-N 0 0 308.231 3.063 10 5 DGBERN CO[C@H](C)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC000178188239 432704380 /nfs/dbraw/zinc/70/43/80/432704380.db2.gz FLQMMSKMWVLVRX-SNVBAGLBSA-N 0 0 315.329 3.137 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2sccc21 ZINC000160207533 432709753 /nfs/dbraw/zinc/70/97/53/432709753.db2.gz BSMHUJLXKXUFOW-ZDUSSCGKSA-N 0 0 317.370 3.167 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000160373042 432718191 /nfs/dbraw/zinc/71/81/91/432718191.db2.gz NIYKRFQZBZFANM-QMTHXVAHSA-N 0 0 310.325 3.112 10 5 DGBERN CO[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[C@H]1C ZINC000275974417 432765280 /nfs/dbraw/zinc/76/52/80/432765280.db2.gz HXAURGBESZKUBV-NOZJJQNGSA-N 0 0 316.304 3.057 10 5 DGBERN CCS[C@@H]1CC[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000230922318 432731234 /nfs/dbraw/zinc/73/12/34/432731234.db2.gz KFIAZKKGGSFHKL-RKDXNWHRSA-N 0 0 312.420 3.390 10 5 DGBERN Cc1ccc(NC(=O)NCCCc2ccccn2)cc1[N+](=O)[O-] ZINC000178896878 432786693 /nfs/dbraw/zinc/78/66/93/432786693.db2.gz CDRPFNAABOMKNX-UHFFFAOYSA-N 0 0 314.345 3.053 10 5 DGBERN Cc1sc(C(=O)N[C@H](C)CNc2ccccc2)cc1[N+](=O)[O-] ZINC000162081653 432811862 /nfs/dbraw/zinc/81/18/62/432811862.db2.gz BRWMSBITQAQHHR-SNVBAGLBSA-N 0 0 319.386 3.195 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCO[C@@H](c3cccs3)C2)c(F)c1 ZINC000268383010 432868178 /nfs/dbraw/zinc/86/81/78/432868178.db2.gz JYYHBFUQLXPVCL-CYBMUJFWSA-N 0 0 308.334 3.373 10 5 DGBERN COc1cc(N[C@@H]2CCC[C@H]3OCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000268387272 432868312 /nfs/dbraw/zinc/86/83/12/432868312.db2.gz LCLQKGHDWLBSEC-DRCTWCGVSA-N 0 0 310.325 3.112 10 5 DGBERN O=[N+]([O-])c1ccc(SCc2nc(C3CCCC3)no2)nc1 ZINC000155897612 292719657 /nfs/dbraw/zinc/71/96/57/292719657.db2.gz BBIIWKAOUJMCBX-UHFFFAOYSA-N 0 0 306.347 3.323 10 5 DGBERN O=c1[nH]cnc2cc(NC/C=C/c3ccccc3)c([N+](=O)[O-])cc12 ZINC000301250511 433471397 /nfs/dbraw/zinc/47/13/97/433471397.db2.gz RNKYABHKLAZWTI-QPJJXVBHSA-N 0 0 322.324 3.369 10 5 DGBERN CCC[C@@H]1C[C@@H]1Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000301441520 433557325 /nfs/dbraw/zinc/55/73/25/433557325.db2.gz MKLZPJOXPYZVNZ-RISCZKNCSA-N 0 0 305.378 3.334 10 5 DGBERN Cc1csc([C@@H]2CCCN(c3cc(C)c([N+](=O)[O-])cn3)C2)n1 ZINC000301458275 433564269 /nfs/dbraw/zinc/56/42/69/433564269.db2.gz XQVOEESMJGYJDY-GFCCVEGCSA-N 0 0 318.402 3.447 10 5 DGBERN CC[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1noc(C)n1 ZINC000301464150 433566232 /nfs/dbraw/zinc/56/62/32/433566232.db2.gz GLUJIGQLLSERRM-LBPRGKRZSA-N 0 0 313.317 3.398 10 5 DGBERN CC(=O)c1ccccc1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000342472911 433712757 /nfs/dbraw/zinc/71/27/57/433712757.db2.gz MWZOBSBAISDHSD-LLVKDONJSA-N 0 0 312.325 3.288 10 5 DGBERN COc1cc(NCc2nc(C)sc2C)c([N+](=O)[O-])cc1F ZINC000301841871 433753899 /nfs/dbraw/zinc/75/38/99/433753899.db2.gz PVWDOHWJGQFEFU-UHFFFAOYSA-N 0 0 311.338 3.428 10 5 DGBERN CC(=O)CCC(C)(C)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000342482200 433722397 /nfs/dbraw/zinc/72/23/97/433722397.db2.gz IDNPQEOAPCNWTL-GFCCVEGCSA-N 0 0 306.362 3.167 10 5 DGBERN COC(=O)c1ccc(CN(C)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000302823884 433873150 /nfs/dbraw/zinc/87/31/50/433873150.db2.gz VWEUSNITJYNHNA-UHFFFAOYSA-N 0 0 318.304 3.157 10 5 DGBERN COc1ccc(OCCNc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000302826215 433873629 /nfs/dbraw/zinc/87/36/29/433873629.db2.gz ALLAOGAMSPIOFC-UHFFFAOYSA-N 0 0 306.293 3.233 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N2CC(C)(C)OC(C)(C)C2)c1 ZINC000302679102 433827386 /nfs/dbraw/zinc/82/73/86/433827386.db2.gz RGSIFRCMRNUUNV-UHFFFAOYSA-N 0 0 312.341 3.136 10 5 DGBERN CCc1noc(C)c1-c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000340078924 433911510 /nfs/dbraw/zinc/91/15/10/433911510.db2.gz OKDGKLLWRZISDO-UHFFFAOYSA-N 0 0 300.274 3.171 10 5 DGBERN O=[N+]([O-])c1ccc(F)cc1NCCc1ccc2c(c1)OCO2 ZINC000302868996 433890294 /nfs/dbraw/zinc/89/02/94/433890294.db2.gz XHGNMRVJFAPYMV-UHFFFAOYSA-N 0 0 304.277 3.117 10 5 DGBERN CC(C)(C)c1noc(OCc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000505500386 294239974 /nfs/dbraw/zinc/23/99/74/294239974.db2.gz IUMGJLVWTXYVGU-UHFFFAOYSA-N 0 0 313.260 3.133 10 5 DGBERN CC(=O)c1ccc(N[C@@H](CO)CC2CCCC2)c([N+](=O)[O-])c1 ZINC000509528888 294355468 /nfs/dbraw/zinc/35/54/68/294355468.db2.gz RWLAYAMQZKXQDM-CQSZACIVSA-N 0 0 306.362 3.151 10 5 DGBERN O=C(C[C@@H]1CCCN1c1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC000450430398 434177520 /nfs/dbraw/zinc/17/75/20/434177520.db2.gz RMXOWZZCJVOXMV-AWEZNQCLSA-N 0 0 311.341 3.232 10 5 DGBERN CC(=O)c1ccc(NCCCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000450561664 434268602 /nfs/dbraw/zinc/26/86/02/434268602.db2.gz UTTRUANXZKHYBX-UHFFFAOYSA-N 0 0 306.362 3.416 10 5 DGBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC12CCCC2 ZINC000450490909 434222910 /nfs/dbraw/zinc/22/29/10/434222910.db2.gz VEKOBXLBOBLVSW-CQSZACIVSA-N 0 0 324.402 3.133 10 5 DGBERN CC(=O)c1cc(N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000450690950 434342118 /nfs/dbraw/zinc/34/21/18/434342118.db2.gz JHPBDTUHGTYCIR-RGFKIIKPSA-N 0 0 312.369 3.446 10 5 DGBERN CC(=O)c1cc(NCC2(CO)CC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000287903259 434475758 /nfs/dbraw/zinc/47/57/58/434475758.db2.gz VNYZPFKIRMRAPG-UHFFFAOYSA-N 0 0 318.373 3.152 10 5 DGBERN O=[N+]([O-])c1cnc(NCCC2(F)CCC2)c(Br)c1 ZINC000340951448 434451341 /nfs/dbraw/zinc/45/13/41/434451341.db2.gz IXWVYNPAIGPWQX-UHFFFAOYSA-N 0 0 318.146 3.447 10 5 DGBERN CCOc1cccc(CCNc2c([N+](=O)[O-])nc(C)n2CC)c1 ZINC000361060421 434784510 /nfs/dbraw/zinc/78/45/10/434784510.db2.gz VVIDQMQFTNBQPP-UHFFFAOYSA-N 0 0 318.377 3.173 10 5 DGBERN CC(=Cc1nc(-c2ccc(=O)[nH]c2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445438625 434799658 /nfs/dbraw/zinc/79/96/58/434799658.db2.gz UAFJKJQAFUYDSN-CSKARUKUSA-N 0 0 324.296 3.306 10 5 DGBERN O=[N+]([O-])c1cc(F)ccc1/C=C\c1nc(-c2cncs2)no1 ZINC000445579358 434812889 /nfs/dbraw/zinc/81/28/89/434812889.db2.gz MWSCLXDZNQKVIX-RQOWECAXSA-N 0 0 318.289 3.411 10 5 DGBERN CCC[C@H]1CCCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000553446854 434891279 /nfs/dbraw/zinc/89/12/79/434891279.db2.gz UPEOVHHJUGHEOI-LBPRGKRZSA-N 0 0 321.377 3.101 10 5 DGBERN CCOc1cc(OC(F)F)c([N+](=O)[O-])cc1OC(F)(F)F ZINC000575656458 435039572 /nfs/dbraw/zinc/03/95/72/435039572.db2.gz GXAWMQYVDZISOL-UHFFFAOYSA-N 0 0 317.166 3.494 10 5 DGBERN COc1cc(OC(F)F)c(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000575669105 435042304 /nfs/dbraw/zinc/04/23/04/435042304.db2.gz YKRAJGKDJDEKBV-UHFFFAOYSA-N 0 0 303.139 3.103 10 5 DGBERN CCOc1c(CC)cc(I)cc1[N+](=O)[O-] ZINC000575696842 435046959 /nfs/dbraw/zinc/04/69/59/435046959.db2.gz PRCYOQFZYOJPFC-UHFFFAOYSA-N 0 0 321.114 3.161 10 5 DGBERN CCOc1cc(I)c(CC)cc1[N+](=O)[O-] ZINC000575696184 435047005 /nfs/dbraw/zinc/04/70/05/435047005.db2.gz LNRHPAMVMXLLEG-UHFFFAOYSA-N 0 0 321.114 3.161 10 5 DGBERN CCOC(=O)c1cc(Br)c(CC)cc1[N+](=O)[O-] ZINC000575699789 435047450 /nfs/dbraw/zinc/04/74/50/435047450.db2.gz MMHUAKAPZJZEQH-UHFFFAOYSA-N 0 0 302.124 3.096 10 5 DGBERN CCOC(=O)Cc1c(Br)cc(CC)cc1[N+](=O)[O-] ZINC000575700606 435047779 /nfs/dbraw/zinc/04/77/79/435047779.db2.gz TWLFUJFKAYPRJL-UHFFFAOYSA-N 0 0 316.151 3.025 10 5 DGBERN O=[N+]([O-])c1ccc(CNc2cc3cc[nH]c3cn2)c(Cl)c1 ZINC000588018983 435293753 /nfs/dbraw/zinc/29/37/53/435293753.db2.gz YQWQOYNXBIXBBW-UHFFFAOYSA-N 0 0 302.721 3.737 10 5 DGBERN COc1cc(N2CC[C@H](C(F)(F)F)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000480552549 435384410 /nfs/dbraw/zinc/38/44/10/435384410.db2.gz OTZZPNTWJURNBG-WPRPVWTQSA-N 0 0 304.268 3.381 10 5 DGBERN O=[N+]([O-])c1c(N[C@H]2CCCC(F)(F)C2)nc2sccn21 ZINC000486912563 435620250 /nfs/dbraw/zinc/62/02/50/435620250.db2.gz QGNVGPMIPJJGCE-ZETCQYMHSA-N 0 0 302.306 3.294 10 5 DGBERN COc1cccc(C[C@H]2CCCN2c2ccc([N+](=O)[O-])nc2)c1 ZINC000518432867 435637557 /nfs/dbraw/zinc/63/75/57/435637557.db2.gz HUHSTOVRULOZAH-CQSZACIVSA-N 0 0 313.357 3.210 10 5 DGBERN COC(=O)c1cc(C)nc(Oc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000571113665 435678036 /nfs/dbraw/zinc/67/80/36/435678036.db2.gz YZKNGDXWQXNLJL-UHFFFAOYSA-N 0 0 324.239 3.155 10 5 DGBERN CNc1ccc(C(=O)N2CC3(CC3)c3ccccc32)cc1[N+](=O)[O-] ZINC000548476838 435696625 /nfs/dbraw/zinc/69/66/25/435696625.db2.gz UIOWFAMTLPJMFL-UHFFFAOYSA-N 0 0 323.352 3.329 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC3(CCC3)[C@H]2[C@@H]2CCCO2)n1 ZINC000408226286 301202622 /nfs/dbraw/zinc/20/26/22/301202622.db2.gz MWWPNCAPKLTJCC-DZGCQCFKSA-N 0 0 317.389 3.145 10 5 DGBERN Cc1nc(CN2CCc3c2cccc3[N+](=O)[O-])nc2ccccc12 ZINC000178946530 312794230 /nfs/dbraw/zinc/79/42/30/312794230.db2.gz MIIQKZGVBIIYDN-UHFFFAOYSA-N 0 0 320.352 3.409 10 5 DGBERN C[C@H](NC(=O)c1scnc1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000179388118 312805120 /nfs/dbraw/zinc/80/51/20/312805120.db2.gz LZWMXQFUDMQKPD-VIFPVBQESA-N 0 0 317.370 3.420 10 5 DGBERN CCOc1cc(N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000541575940 314024099 /nfs/dbraw/zinc/02/40/99/314024099.db2.gz MLLKRAYUQGSSDS-HIFRSBDPSA-N 0 0 322.405 3.227 10 5 DGBERN CC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1Cl ZINC000543084909 314113365 /nfs/dbraw/zinc/11/33/65/314113365.db2.gz MSJOGINPBRHHBY-UHFFFAOYSA-N 0 0 319.704 3.098 10 5 DGBERN O=[N+]([O-])c1ccc(Oc2ccc3nccnc3n2)c2cccnc21 ZINC000546025509 314286122 /nfs/dbraw/zinc/28/61/22/314286122.db2.gz YMVQBOPMKZMNDL-UHFFFAOYSA-N 0 0 319.280 3.274 10 5 DGBERN O=[N+]([O-])c1cccc(F)c1Nc1ccc(N2CCCC2)nc1 ZINC000552905173 314626918 /nfs/dbraw/zinc/62/69/18/314626918.db2.gz RBSSUHWQXVVURB-UHFFFAOYSA-N 0 0 302.309 3.473 10 5 DGBERN C[C@H](C(=O)N[C@@H]1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000568826499 315538587 /nfs/dbraw/zinc/53/85/87/315538587.db2.gz DUDONKPRONJGSM-CMPLNLGQSA-N 0 0 312.316 3.392 10 5 DGBERN C[C@@H](Cc1ccsc1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000049183824 1194515625 /nfs/dbraw/zinc/51/56/25/1194515625.db2.gz ORBFOBHAYUILGX-VIFPVBQESA-N 0 0 308.334 3.156 10 5 DGBERN CCn1ccnc1COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000182112520 323284458 /nfs/dbraw/zinc/28/44/58/323284458.db2.gz OGZXGEVDWXXRGW-UHFFFAOYSA-N 0 0 315.251 3.409 10 5 DGBERN C[C@H](C(=O)NCCc1ccsc1)c1ccc([N+](=O)[O-])cc1F ZINC000182630654 323306604 /nfs/dbraw/zinc/30/66/04/323306604.db2.gz ARLJWLQAAUTFEP-JTQLQIEISA-N 0 0 322.361 3.258 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCN(c2cccs2)CC1 ZINC000183372280 323335743 /nfs/dbraw/zinc/33/57/43/323335743.db2.gz FKVIEXZVBHLTGK-UHFFFAOYSA-N 0 0 317.414 3.287 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1nc(C(C)(C)C)no1 ZINC000185243745 323384607 /nfs/dbraw/zinc/38/46/07/323384607.db2.gz PNZXBPRJKDLAPV-LLVKDONJSA-N 0 0 318.377 3.435 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@]2(C)CCCC[C@@H]2O)c1 ZINC000301503762 533994848 /nfs/dbraw/zinc/99/48/48/533994848.db2.gz YNQJMUZRPOAYOB-ZFWWWQNUSA-N 0 0 312.341 3.096 10 5 DGBERN O=[N+]([O-])c1ccc(CO)cc1NCCC1Cc2ccccc2C1 ZINC000302060379 534881685 /nfs/dbraw/zinc/88/16/85/534881685.db2.gz RUDYUTPIOJCYLP-UHFFFAOYSA-N 0 0 312.369 3.304 10 5 DGBERN COc1cccc(Cl)c1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000156177957 526094586 /nfs/dbraw/zinc/09/45/86/526094586.db2.gz IRPKDBIQEZUCGS-UHFFFAOYSA-N 0 0 320.732 3.438 10 5 DGBERN Cc1nc(NCc2ccn(C3CCCC3)n2)ccc1[N+](=O)[O-] ZINC000154728666 527000534 /nfs/dbraw/zinc/00/05/34/527000534.db2.gz AKRMXQWUPHAAIH-UHFFFAOYSA-N 0 0 301.350 3.222 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@](C)(F)C1 ZINC000295759681 527527434 /nfs/dbraw/zinc/52/74/34/527527434.db2.gz OEABEAYVQBOYAQ-YBHKSSGVSA-N 0 0 306.337 3.349 10 5 DGBERN CC(C)(C)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000176731170 527636041 /nfs/dbraw/zinc/63/60/41/527636041.db2.gz IJIVOBAAIYXGMY-UHFFFAOYSA-N 0 0 305.378 3.075 10 5 DGBERN CC(C)c1csc(NC(=O)c2cccc([N+](=O)[O-])c2N)n1 ZINC000157319059 528240397 /nfs/dbraw/zinc/24/03/97/528240397.db2.gz GXWLSKCMPHHEDV-UHFFFAOYSA-N 0 0 306.347 3.009 10 5 DGBERN CCNC(=O)c1ccc(NCc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000195106729 528258946 /nfs/dbraw/zinc/25/89/46/528258946.db2.gz PNOZEOOVQRXPFU-UHFFFAOYSA-N 0 0 313.357 3.265 10 5 DGBERN CC(C)c1nnc(COc2c(Cl)cncc2[N+](=O)[O-])s1 ZINC000450962079 534989703 /nfs/dbraw/zinc/98/97/03/534989703.db2.gz QJLHOZLBZPVBKA-UHFFFAOYSA-N 0 0 314.754 3.197 10 5 DGBERN CC[C@@H]1C[C@H]1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000456118234 535916132 /nfs/dbraw/zinc/91/61/32/535916132.db2.gz POBNSFKBRSTVMM-BDAKNGLRSA-N 0 0 316.279 3.390 10 5 DGBERN COc1cc(C(=O)N[C@H]2CCC23CCCC3)c([N+](=O)[O-])cc1F ZINC000451200218 536518916 /nfs/dbraw/zinc/51/89/16/536518916.db2.gz XQJWHNOIEIKYHK-AWEZNQCLSA-N 0 0 322.336 3.195 10 5 DGBERN CCC1CCC(Nc2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000302788188 546437775 /nfs/dbraw/zinc/43/77/75/546437775.db2.gz XHKVKIWYKXQVDI-UHFFFAOYSA-N 0 0 307.350 3.157 10 5 DGBERN O=C(OCCOc1ccc(F)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731529782 574551571 /nfs/dbraw/zinc/55/15/71/574551571.db2.gz FDIKHSVVCNOBEQ-UHFFFAOYSA-N 0 0 323.251 3.109 10 5 DGBERN Nc1nc(NC(C2CCCC2)C2CCCC2)ncc1[N+](=O)[O-] ZINC000735490521 574703983 /nfs/dbraw/zinc/70/39/83/574703983.db2.gz SFILXSZAEGCDAC-UHFFFAOYSA-N 0 0 305.382 3.128 10 5 DGBERN Cc1ccc(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000223244820 618529357 /nfs/dbraw/zinc/52/93/57/618529357.db2.gz DPNJJFZHCQFAKU-LBPRGKRZSA-N 0 0 321.377 3.325 10 5 DGBERN O=C(Cc1ccccc1F)OCCc1ccccc1[N+](=O)[O-] ZINC000151229532 620432516 /nfs/dbraw/zinc/43/25/16/620432516.db2.gz PCXPLZBFPDDMRW-UHFFFAOYSA-N 0 0 303.289 3.062 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1OC[C@H](O)c1cc(C)cc(C)c1 ZINC000153514212 620573922 /nfs/dbraw/zinc/57/39/22/620573922.db2.gz FZGNLFKMQOJOTP-HNNXBMFYSA-N 0 0 317.341 3.333 10 5 DGBERN COc1cc([N+](=O)[O-])ccc1OC[C@H](O)c1cc(C)cc(C)c1 ZINC000153863630 620618742 /nfs/dbraw/zinc/61/87/42/620618742.db2.gz ZWNXUZHUXHIHJN-HNNXBMFYSA-N 0 0 317.341 3.333 10 5 DGBERN CCc1ccc(OC(=O)[C@@H](OC)c2ccccc2)c([N+](=O)[O-])c1 ZINC000115926368 621163256 /nfs/dbraw/zinc/16/32/56/621163256.db2.gz YPGSDTJWEPKVDJ-INIZCTEOSA-N 0 0 315.325 3.450 10 5 DGBERN CCc1cc(C(=O)O[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000119047821 621612409 /nfs/dbraw/zinc/61/24/09/621612409.db2.gz RPAAAXZKOUPSPR-SNVBAGLBSA-N 0 0 303.318 3.107 10 5 DGBERN Cc1cncc(/C=C/C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000119401663 621664626 /nfs/dbraw/zinc/66/46/26/621664626.db2.gz BDUXNTXMRLNLOJ-VUUYWXRKSA-N 0 0 323.352 3.289 10 5 DGBERN COc1ccc(OC(=O)CCCC[C@@H](C)C(C)=O)c([N+](=O)[O-])c1 ZINC000123130029 622469136 /nfs/dbraw/zinc/46/91/36/622469136.db2.gz VIYBONWFLYDZIE-LLVKDONJSA-N 0 0 323.345 3.294 10 5 DGBERN COCCC1(C(=O)O[C@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000124108147 622919386 /nfs/dbraw/zinc/91/93/86/622919386.db2.gz JSSPQRUBULUULZ-GFCCVEGCSA-N 0 0 307.346 3.406 10 5 DGBERN CC[C@H](NC(=O)Nc1ccc(F)nc1)c1cccc([N+](=O)[O-])c1 ZINC000125279519 623412180 /nfs/dbraw/zinc/41/21/80/623412180.db2.gz UFNCIGJVWHMNMG-ZDUSSCGKSA-N 0 0 318.308 3.402 10 5 DGBERN COc1ccc(OC(=O)C2CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000136756537 627103488 /nfs/dbraw/zinc/10/34/88/627103488.db2.gz SIRRQGBIJUPQCF-UHFFFAOYSA-N 0 0 315.272 3.334 10 5 DGBERN O=[N+]([O-])c1ccc2[nH]c(NCCSC(F)(F)F)nc2c1 ZINC000219356021 627145944 /nfs/dbraw/zinc/14/59/44/627145944.db2.gz ANNOGGGTQLFLBU-UHFFFAOYSA-N 0 0 306.269 3.136 10 5 DGBERN CC[C@@H]1CCCC[C@@H]1OC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000102212956 630005517 /nfs/dbraw/zinc/00/55/17/630005517.db2.gz CXHKNEJRFHMIQX-KGLIPLIRSA-N 0 0 323.393 3.310 10 5 DGBERN COc1ccccc1OC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000102634204 630175436 /nfs/dbraw/zinc/17/54/36/630175436.db2.gz NTGFYQPJXUKFDG-UHFFFAOYSA-N 0 0 312.281 3.304 10 5 DGBERN C[C@@H](Oc1ccc([N+](=O)[O-])cc1C=O)c1cccc([N+](=O)[O-])c1 ZINC000102701869 630210624 /nfs/dbraw/zinc/21/06/24/630210624.db2.gz MAVZMWXGWSMHTA-SNVBAGLBSA-N 0 0 316.269 3.456 10 5 DGBERN COc1cccc([C@@H]2C[C@H]2C(=O)Oc2cccc([N+](=O)[O-])c2)c1 ZINC000106591414 631344003 /nfs/dbraw/zinc/34/40/03/631344003.db2.gz QHNZCOFOCWEQLJ-JKSUJKDBSA-N 0 0 313.309 3.313 10 5 DGBERN COC(C)(C)CCOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000230421083 659329570 /nfs/dbraw/zinc/32/95/70/659329570.db2.gz NPULEMUXKDPZGS-UHFFFAOYSA-N 0 0 301.726 3.220 10 5 DGBERN CC[C@H](C)C(=O)COc1cc([N+](=O)[O-])ccc1Br ZINC000230402274 659329658 /nfs/dbraw/zinc/32/96/58/659329658.db2.gz PKLIINNGWXNZAT-QMMMGPOBSA-N 0 0 316.151 3.351 10 5 DGBERN O=[N+]([O-])c1ccc(Cl)c(CN2CCO[C@H]3CCCC[C@H]32)c1 ZINC000227152363 660580821 /nfs/dbraw/zinc/58/08/21/660580821.db2.gz QIHWUUKQJZRQKS-CABCVRRESA-N 0 0 310.781 3.392 10 5 DGBERN O=C(NCCC1(F)CCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000702499916 660725119 /nfs/dbraw/zinc/72/51/19/660725119.db2.gz WTDDZOONHRVTDL-UHFFFAOYSA-N 0 0 300.717 3.260 10 5 DGBERN O=[N+]([O-])c1ccc(Br)cc1NCC[C@@H]1CCOC1 ZINC000230102935 655714031 /nfs/dbraw/zinc/71/40/31/655714031.db2.gz HGDDZSNJHXCEQZ-SECBINFHSA-N 0 0 315.167 3.196 10 5 DGBERN C[C@H](OC(=O)/C=C/c1cncc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000074719102 655728736 /nfs/dbraw/zinc/72/87/36/655728736.db2.gz NECDUMPKDPYKIE-FOKSMMDQSA-N 0 0 316.288 3.447 10 5 DGBERN O=C(/C=C\c1ccnc(Cl)c1)Oc1cccc([N+](=O)[O-])c1 ZINC000255567091 655803275 /nfs/dbraw/zinc/80/32/75/655803275.db2.gz QGWXMLPLVBSEKZ-PLNGDYQASA-N 0 0 304.689 3.262 10 5 DGBERN Cc1cnn(CCC(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000176937264 655872962 /nfs/dbraw/zinc/87/29/62/655872962.db2.gz RPPISULRLIVUAK-ZDUSSCGKSA-N 0 0 317.345 3.103 10 5 DGBERN C[C@H](COc1ccccc1)OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000066522091 655953200 /nfs/dbraw/zinc/95/32/00/655953200.db2.gz JITDHHGVMMJUBC-GFCCVEGCSA-N 0 0 301.298 3.219 10 5 DGBERN C[C@@H](COc1ccccc1)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000066521500 655953289 /nfs/dbraw/zinc/95/32/89/655953289.db2.gz SUSYNNSQSVHCCL-LBPRGKRZSA-N 0 0 301.298 3.219 10 5 DGBERN O=C(NCC[C@H]1CCCS1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000715971067 661215620 /nfs/dbraw/zinc/21/56/20/661215620.db2.gz CPZAOGIXKPQWNS-SNVBAGLBSA-N 0 0 314.794 3.264 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1NCc1csc([N+](=O)[O-])c1 ZINC000037562930 661265702 /nfs/dbraw/zinc/26/57/02/661265702.db2.gz DYZWXXINBVCPRW-UHFFFAOYSA-N 0 0 309.303 3.185 10 5 DGBERN O=C(NCCCc1ccccn1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000178829428 657078565 /nfs/dbraw/zinc/07/85/65/657078565.db2.gz JELWFRVVYWLNQB-UHFFFAOYSA-N 0 0 319.748 3.006 10 5 DGBERN Cc1ccc(OC(=O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000178991752 657381462 /nfs/dbraw/zinc/38/14/62/657381462.db2.gz WVIVQGYAFAYIAK-UHFFFAOYSA-N 0 0 301.298 3.025 10 5 DGBERN O=C(CNc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1F ZINC000015124190 658016978 /nfs/dbraw/zinc/01/69/78/658016978.db2.gz PXRNUYBOAZNTPL-UHFFFAOYSA-N 0 0 323.711 3.438 10 5 DGBERN O=[N+]([O-])c1cc(NS(=O)(=O)/C=C/c2ccccc2)ccc1F ZINC000016130089 658322318 /nfs/dbraw/zinc/32/23/18/658322318.db2.gz SAFXYDFZRUMMBB-CMDGGOBGSA-N 0 0 322.317 3.147 10 5 DGBERN O=[N+]([O-])c1ccc(OS(=O)(=O)/C=C\c2ccccc2)c(F)c1 ZINC000056065619 658947198 /nfs/dbraw/zinc/94/71/98/658947198.db2.gz GEYGWHGZTNJKIL-HJWRWDBZSA-N 0 0 323.301 3.113 10 5 DGBERN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000172093754 659316182 /nfs/dbraw/zinc/31/61/82/659316182.db2.gz JPAGIFVMROXXCZ-SNVBAGLBSA-N 0 0 321.333 3.120 10 5 DGBERN Cc1c(C(=O)N[C@H](C)C2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000172099274 659316623 /nfs/dbraw/zinc/31/66/23/659316623.db2.gz BTJOEYMGASTTLB-SNVBAGLBSA-N 0 0 321.333 3.120 10 5 DGBERN O=[N+]([O-])c1ccc(F)cc1CNc1cc(CO)ccc1Cl ZINC000172897030 659362484 /nfs/dbraw/zinc/36/24/84/659362484.db2.gz YQIQECXKJGKCKT-UHFFFAOYSA-N 0 0 310.712 3.492 10 5 DGBERN CO[C@H](C)CCOC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000174811413 659715067 /nfs/dbraw/zinc/71/50/67/659715067.db2.gz AWGDCXATGDXQPE-MRVPVSSYSA-N 0 0 321.251 3.195 10 5 DGBERN C[C@@H](OC(=O)CCc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000175141991 659916509 /nfs/dbraw/zinc/91/65/09/659916509.db2.gz ZAXCPUVVHUJENU-GFCCVEGCSA-N 0 0 300.314 3.227 10 5 DGBERN O=[N+]([O-])c1cccc(OS(=O)(=O)/C=C/c2ccc(F)cc2)c1 ZINC000175179099 659916966 /nfs/dbraw/zinc/91/69/66/659916966.db2.gz DAEOISCMHZJSMY-CMDGGOBGSA-N 0 0 323.301 3.113 10 5 DGBERN C[C@@H](OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CCC1 ZINC000179662485 659937319 /nfs/dbraw/zinc/93/73/19/659937319.db2.gz ONZJKCCKIPRJEU-LLVKDONJSA-N 0 0 315.329 3.126 10 5 DGBERN Cc1cn2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)ccc2n1 ZINC000041306064 661833708 /nfs/dbraw/zinc/83/37/08/661833708.db2.gz PPGIKIFRWRNZSA-RUDMXATFSA-N 0 0 322.324 3.203 10 5 DGBERN CC[C@@H]1CCCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000155616410 661849954 /nfs/dbraw/zinc/84/99/54/661849954.db2.gz SNDCNOHNXGAYCV-GFCCVEGCSA-N 0 0 321.333 3.298 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1ccccc1F ZINC000194023354 662155468 /nfs/dbraw/zinc/15/54/68/662155468.db2.gz YSYGCNKZWIVZDJ-JTQLQIEISA-N 0 0 304.277 3.355 10 5 DGBERN CC(C)c1cc(C(=O)O[C@H](C)c2ccc([N+](=O)[O-])cc2)nn1C ZINC000081853173 662173878 /nfs/dbraw/zinc/17/38/78/662173878.db2.gz UHCHMXXCVSULGO-LLVKDONJSA-N 0 0 317.345 3.370 10 5 DGBERN CN(Cc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000195137048 662178898 /nfs/dbraw/zinc/17/88/98/662178898.db2.gz REUDOFGIILTYPG-UHFFFAOYSA-N 0 0 319.748 3.103 10 5 DGBERN COc1cccc(C(=O)Oc2ccc(C)c([N+](=O)[O-])c2)c1F ZINC000089237074 662238944 /nfs/dbraw/zinc/23/89/44/662238944.db2.gz AXYPEZDUFMVGLP-UHFFFAOYSA-N 0 0 305.261 3.270 10 5 DGBERN CCCn1c(C)nnc1SCc1cc(F)ccc1[N+](=O)[O-] ZINC000089706493 662246828 /nfs/dbraw/zinc/24/68/28/662246828.db2.gz LMHCNCKAMNTUFP-UHFFFAOYSA-N 0 0 310.354 3.336 10 5 DGBERN CCOc1ccc(C(=O)O[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000174904911 685107193 /nfs/dbraw/zinc/10/71/93/685107193.db2.gz 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1203584644 /nfs/dbraw/zinc/58/46/44/1203584644.db2.gz LCUJMBHELCZLAX-UHFFFAOYSA-N 0 0 301.302 3.272 10 5 DGBERN Cc1cncc(/C=C\C(=O)OCc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000588418303 1082207699 /nfs/dbraw/zinc/20/76/99/1082207699.db2.gz TUGWXLJRWPPJLT-XQRVVYSFSA-N 0 0 312.325 3.363 10 5 DGBERN CC(C)(C)OC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cc1 ZINC000588432593 1082250279 /nfs/dbraw/zinc/25/02/79/1082250279.db2.gz UUPGJQAYZAGPTN-PLNGDYQASA-N 0 0 307.350 3.088 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C(F)(F)F ZINC000588439679 1082284346 /nfs/dbraw/zinc/28/43/46/1082284346.db2.gz OMYGSTWAQBDFNX-UFGYOYAJSA-N 0 0 303.236 3.492 10 5 DGBERN Cc1c(CN2CCC=C(Br)C2)cccc1[N+](=O)[O-] ZINC000404199514 1082631590 /nfs/dbraw/zinc/63/15/90/1082631590.db2.gz JKUHMHNJKUZUTI-UHFFFAOYSA-N 0 0 311.179 3.388 10 5 DGBERN CN(CC1CC(O)C1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000188881756 1092230793 /nfs/dbraw/zinc/23/07/93/1092230793.db2.gz RVEIJTJSXDGHKB-UHFFFAOYSA-N 0 0 320.392 3.231 10 5 DGBERN O=C(NCCCNc1cc(F)ccc1[N+](=O)[O-])c1cccs1 ZINC000302825512 230843573 /nfs/dbraw/zinc/84/35/73/230843573.db2.gz YZGSTPOYFPDTSF-UHFFFAOYSA-N 0 0 323.349 3.027 10 5 DGBERN CC[C@H](NC(=O)c1cc(C2CC2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000090466526 185297886 /nfs/dbraw/zinc/29/78/86/185297886.db2.gz RHSBBHONWRMCGD-ZDUSSCGKSA-N 0 0 314.345 3.076 10 5 DGBERN CC[C@H](NC(=O)NC[C@H](C)SC)c1cccc([N+](=O)[O-])c1 ZINC000090619284 185306895 /nfs/dbraw/zinc/30/68/95/185306895.db2.gz XQEJKESSJZDDDH-GWCFXTLKSA-N 0 0 311.407 3.097 10 5 DGBERN CC[C@@H](NCc1nc(C(C)C)no1)c1cccc([N+](=O)[O-])c1 ZINC000181535742 199312609 /nfs/dbraw/zinc/31/26/09/199312609.db2.gz ZBWAWMOPWLAPET-CYBMUJFWSA-N 0 0 304.350 3.342 10 5 DGBERN CC(C)CCNc1ncnc(Oc2cccnc2)c1[N+](=O)[O-] ZINC000040660272 190665958 /nfs/dbraw/zinc/66/59/58/190665958.db2.gz NPEGNDLPUJASGF-UHFFFAOYSA-N 0 0 303.322 3.030 10 5 DGBERN CC/C(=C\c1ccc(Br)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000042906077 190672528 /nfs/dbraw/zinc/67/25/28/190672528.db2.gz DBQAMQVIORCQFS-VMPITWQZSA-N 0 0 301.096 3.385 10 5 DGBERN CN(CCc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000065666936 432013040 /nfs/dbraw/zinc/01/30/40/432013040.db2.gz WVLFYSFBDSMMMC-UHFFFAOYSA-N 0 0 308.334 3.110 10 5 DGBERN Cc1cccc(CNc2c(Br)cncc2[N+](=O)[O-])n1 ZINC000230176559 201868605 /nfs/dbraw/zinc/86/86/05/201868605.db2.gz LQGHEZMEQXEIEL-UHFFFAOYSA-N 0 0 323.150 3.068 10 5 DGBERN Cc1cc(N[C@H](C)[C@@H](C)CO)c(Br)cc1[N+](=O)[O-] ZINC000235137107 201911401 /nfs/dbraw/zinc/91/14/01/201911401.db2.gz QRGLPBJHXJBMEM-DTWKUNHWSA-N 0 0 317.183 3.095 10 5 DGBERN C[C@H](CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[S@@](C)=O ZINC000130400887 432024045 /nfs/dbraw/zinc/02/40/45/432024045.db2.gz JAICGZUDXHSXAV-ZEDNOMKYSA-N 0 0 324.324 3.183 10 5 DGBERN C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000248662602 290890162 /nfs/dbraw/zinc/89/01/62/290890162.db2.gz YMVJYZKWYBXEIG-BONVTDFDSA-N 0 0 319.386 3.205 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)[C@@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000177851752 186193673 /nfs/dbraw/zinc/19/36/73/186193673.db2.gz UDCYLFZNTVPSEY-STQMWFEESA-N 0 0 313.357 3.279 10 5 DGBERN Cc1nc(C(F)(F)F)c(COc2cccnc2[N+](=O)[O-])s1 ZINC000183834786 186222518 /nfs/dbraw/zinc/22/25/18/186222518.db2.gz RHQHHEJAQUNYFN-UHFFFAOYSA-N 0 0 319.264 3.353 10 5 DGBERN Cc1nnc(COc2ccc([N+](=O)[O-])cc2Cl)n1C1CC1 ZINC000130453344 432025809 /nfs/dbraw/zinc/02/58/09/432025809.db2.gz GULAJCDUEDZQRY-UHFFFAOYSA-N 0 0 308.725 3.062 10 5 DGBERN C[C@H](NC(=O)N1CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000171868569 197998346 /nfs/dbraw/zinc/99/83/46/197998346.db2.gz ODSLVURGVDEMPN-LBPRGKRZSA-N 0 0 305.378 3.487 10 5 DGBERN Cc1cc(C)c(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000067226066 432028026 /nfs/dbraw/zinc/02/80/26/432028026.db2.gz DLNXKMDYGIIBEJ-UHFFFAOYSA-N 0 0 319.382 3.494 10 5 DGBERN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 ZINC000003148374 180985640 /nfs/dbraw/zinc/98/56/40/180985640.db2.gz LISGGGBJKSZMGR-UHFFFAOYSA-N 0 0 315.285 3.372 10 5 DGBERN Cc1cccc(NC(=O)COc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000131728670 432036895 /nfs/dbraw/zinc/03/68/95/432036895.db2.gz XMQDCDKGKGLAEA-UHFFFAOYSA-N 0 0 300.314 3.229 10 5 DGBERN Cc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000005542880 181255564 /nfs/dbraw/zinc/25/55/64/181255564.db2.gz DFLLSOFQPNGZGQ-UHFFFAOYSA-N 0 0 315.285 3.372 10 5 DGBERN CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000178035986 198807641 /nfs/dbraw/zinc/80/76/41/198807641.db2.gz LHMWMMPCPYCTFR-UONOGXRCSA-N 0 0 308.403 3.307 10 5 DGBERN CCCN(C[C@@H]1CCCCO1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000106694673 283277587 /nfs/dbraw/zinc/27/75/87/283277587.db2.gz DBHNHZQKFAAYDY-INIZCTEOSA-N 0 0 320.389 3.325 10 5 DGBERN CC[C@H](NC(=O)[C@@H]1CCO[C@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000180373059 199151033 /nfs/dbraw/zinc/15/10/33/199151033.db2.gz KQQGXAWPIUMRES-BMFZPTHFSA-N 0 0 320.389 3.367 10 5 DGBERN C[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CCS1 ZINC000134340306 432076473 /nfs/dbraw/zinc/07/64/73/432076473.db2.gz MZFRAMKOICMQKL-QMMMGPOBSA-N 0 0 317.208 3.299 10 5 DGBERN Cc1ccc(OCC(=O)c2ccccc2Cl)c([N+](=O)[O-])n1 ZINC000005970058 181301938 /nfs/dbraw/zinc/30/19/38/181301938.db2.gz BXWDERHLVPSYOU-UHFFFAOYSA-N 0 0 306.705 3.213 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@H]2Cc3ccccc3[C@H]2O)c2ccncc21 ZINC000170982137 432091542 /nfs/dbraw/zinc/09/15/42/432091542.db2.gz DCIWFOPMIMXPIC-FUHWJXTLSA-N 0 0 321.336 3.213 10 5 DGBERN Cn1cnc([N+](=O)[O-])c1N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000435584041 238321156 /nfs/dbraw/zinc/32/11/56/238321156.db2.gz JIGOLFADJRKKGN-UMSPYCQHSA-N 0 0 306.753 3.340 10 5 DGBERN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(F)(F)F)C1 ZINC000060635439 283658048 /nfs/dbraw/zinc/65/80/48/283658048.db2.gz IODYWHCNPYMVMA-SECBINFHSA-N 0 0 302.252 3.009 10 5 DGBERN CSC1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000194614826 201262605 /nfs/dbraw/zinc/26/26/05/201262605.db2.gz YOXWHXUAEWZIGG-UHFFFAOYSA-N 0 0 319.386 3.092 10 5 DGBERN Cc1sc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000194782753 201287838 /nfs/dbraw/zinc/28/78/38/201287838.db2.gz YEVNHNFBSSRLDY-NWDGAFQWSA-N 0 0 320.345 3.390 10 5 DGBERN C[C@@H]1CC[C@H](CCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)O1 ZINC000074242405 283792430 /nfs/dbraw/zinc/79/24/30/283792430.db2.gz CBYAHOUYZVWELZ-YWPYICTPSA-N 0 0 318.373 3.220 10 5 DGBERN C[C@@H]1CC[C@@H](CCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)O1 ZINC000074242410 283792444 /nfs/dbraw/zinc/79/24/44/283792444.db2.gz CBYAHOUYZVWELZ-ZOWXZIJZSA-N 0 0 318.373 3.220 10 5 DGBERN Cc1ccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000075411317 283820624 /nfs/dbraw/zinc/82/06/24/283820624.db2.gz AYVITXLQXAQDKP-UHFFFAOYSA-N 0 0 305.359 3.329 10 5 DGBERN CC/C=C/CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000456110652 242351783 /nfs/dbraw/zinc/35/17/83/242351783.db2.gz YATZTMGQXQUTAB-ONEGZZNKSA-N 0 0 302.252 3.310 10 5 DGBERN COc1ccc(CNC(=O)[C@@H]2CCCCC2(C)C)cc1[N+](=O)[O-] ZINC000468792476 244065507 /nfs/dbraw/zinc/06/55/07/244065507.db2.gz BVJNRUMGMBBSOY-ZDUSSCGKSA-N 0 0 320.389 3.436 10 5 DGBERN C[C@@H](Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1ccccc1 ZINC000122034572 284211742 /nfs/dbraw/zinc/21/17/42/284211742.db2.gz NFCLLBKBGZJVSU-LBPRGKRZSA-N 0 0 309.325 3.108 10 5 DGBERN O=C(N[C@@H]1CCCC(F)(F)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000488987732 245259235 /nfs/dbraw/zinc/25/92/35/245259235.db2.gz XKEJWENPKQMDKX-SNVBAGLBSA-N 0 0 302.252 3.042 10 5 DGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000135044970 284458937 /nfs/dbraw/zinc/45/89/37/284458937.db2.gz QRPOJHLYUBWNSJ-GXFFZTMASA-N 0 0 324.402 3.004 10 5 DGBERN CCC[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000267722316 206242248 /nfs/dbraw/zinc/24/22/48/206242248.db2.gz VCWBSKAFNSCKHJ-GWCFXTLKSA-N 0 0 305.334 3.152 10 5 DGBERN C[C@@H]1CC[C@H](CCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)O1 ZINC000246478515 432136164 /nfs/dbraw/zinc/13/61/64/432136164.db2.gz CBYAHOUYZVWELZ-LALPHHSUSA-N 0 0 318.373 3.220 10 5 DGBERN CCNc1ncnc(N(CC)c2cccc(C)c2)c1[N+](=O)[O-] ZINC000040572218 183104742 /nfs/dbraw/zinc/10/47/42/183104742.db2.gz FUKJOLKXWRBWFO-UHFFFAOYSA-N 0 0 301.350 3.283 10 5 DGBERN CNc1ncnc(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000040588611 183105880 /nfs/dbraw/zinc/10/58/80/183105880.db2.gz QYDMVCPSBVIQGC-UHFFFAOYSA-N 0 0 313.239 3.189 10 5 DGBERN CCNc1ncnc(Nc2cc(Cl)ccc2OC)c1[N+](=O)[O-] ZINC000040589464 183106297 /nfs/dbraw/zinc/10/62/97/183106297.db2.gz VFKISJCZMUXNLO-UHFFFAOYSA-N 0 0 323.740 3.222 10 5 DGBERN COc1ccc(Oc2ncnc(NC(C)C)c2[N+](=O)[O-])cc1 ZINC000040597838 183107246 /nfs/dbraw/zinc/10/72/46/183107246.db2.gz ZEADLSRWMUBMOH-UHFFFAOYSA-N 0 0 304.306 3.006 10 5 DGBERN CCN(CC)c1ncnc(Nc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000040608216 183109024 /nfs/dbraw/zinc/10/90/24/183109024.db2.gz ROISSUFLEIPTOM-UHFFFAOYSA-N 0 0 323.303 3.253 10 5 DGBERN Cc1cnc(N2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)c([N+](=O)[O-])c1 ZINC000284704066 218142388 /nfs/dbraw/zinc/14/23/88/218142388.db2.gz SVNYUPJRYVCOKO-CKEIUWERSA-N 0 0 319.405 3.208 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NCc1nc(-c2ccoc2)no1 ZINC000105606146 194113868 /nfs/dbraw/zinc/11/38/68/194113868.db2.gz NOWRSGFWMWDNCE-UHFFFAOYSA-N 0 0 300.274 3.158 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@@H](CO)CC(C)C ZINC000185689550 284758405 /nfs/dbraw/zinc/75/84/05/284758405.db2.gz YENPUNPVPTUIPA-CYBMUJFWSA-N 0 0 323.393 3.082 10 5 DGBERN Cc1sc(C(=O)NC[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000110379335 194325991 /nfs/dbraw/zinc/32/59/91/194325991.db2.gz BNVIFMSLDDBNKY-GFCCVEGCSA-N 0 0 316.382 3.425 10 5 DGBERN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1C[C@@H]1c1ccccc1 ZINC000110445648 194331291 /nfs/dbraw/zinc/33/12/91/194331291.db2.gz AWZGZIZNDGCVLJ-HZPDHXFCSA-N 0 0 310.353 3.057 10 5 DGBERN Cc1sc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000110455598 194331581 /nfs/dbraw/zinc/33/15/81/194331581.db2.gz TWRKCZNENUSKDN-CHWSQXEVSA-N 0 0 316.382 3.498 10 5 DGBERN CC(C)COC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000056345920 184011205 /nfs/dbraw/zinc/01/12/05/184011205.db2.gz DMDHMBCEMJHDLW-UHFFFAOYSA-N 0 0 321.377 3.264 10 5 DGBERN CC[C@@H](NC(=O)COc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000177780454 252723655 /nfs/dbraw/zinc/72/36/55/252723655.db2.gz PLLMDJNKZIKNLQ-MRXNPFEDSA-N 0 0 314.341 3.241 10 5 DGBERN CCc1oc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1C ZINC000177752065 252723737 /nfs/dbraw/zinc/72/37/37/252723737.db2.gz ABTGIIMUFQYCAF-UHFFFAOYSA-N 0 0 304.302 3.320 10 5 DGBERN CO[C@H](C)c1nc(CN(C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000301577886 252886895 /nfs/dbraw/zinc/88/68/95/252886895.db2.gz TXSPUUCLWYUJIQ-SNVBAGLBSA-N 0 0 307.375 3.395 10 5 DGBERN O=[N+]([O-])[C@@H]1[C@@H](c2ccccc2)Oc2ccc(Cl)cc2[C@@H]1O ZINC000215977731 285075287 /nfs/dbraw/zinc/07/52/87/285075287.db2.gz QPNVLFYMEAMXSZ-SOUVJXGZSA-N 0 0 305.717 3.152 10 5 DGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@]2(CCSC2)C1 ZINC000450898375 285091988 /nfs/dbraw/zinc/09/19/88/285091988.db2.gz CEVJSXRBTYMNPP-CYBMUJFWSA-N 0 0 313.810 3.367 10 5 DGBERN O=[N+]([O-])c1ccccc1N1CCC(c2noc(C3CC3)n2)CC1 ZINC000302184124 285162578 /nfs/dbraw/zinc/16/25/78/285162578.db2.gz SIZNTVXONBIRKH-UHFFFAOYSA-N 0 0 314.345 3.239 10 5 DGBERN O=[N+]([O-])c1cnc2ccccc2c1N1CCC2(C1)CCOCC2 ZINC000291968706 285186776 /nfs/dbraw/zinc/18/67/76/285186776.db2.gz OSZNTEWKRXMKMK-UHFFFAOYSA-N 0 0 313.357 3.150 10 5 DGBERN C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@@H](O)Cc1ccccc1 ZINC000120669927 195212832 /nfs/dbraw/zinc/21/28/32/195212832.db2.gz AMCBAWFOCLJTQD-HZMBPMFUSA-N 0 0 321.764 3.047 10 5 DGBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(Cl)cc1 ZINC000178148827 533299445 /nfs/dbraw/zinc/29/94/45/533299445.db2.gz CDGKFRATUDAVRO-SECBINFHSA-N 0 0 319.748 3.321 10 5 DGBERN C/C(=C/c1nc(-c2ncncc2C)no1)c1ccc([N+](=O)[O-])cc1 ZINC000356915335 285557187 /nfs/dbraw/zinc/55/71/87/285557187.db2.gz CSHBVWFFLXRDGN-YFHOEESVSA-N 0 0 323.312 3.304 10 5 DGBERN O=[N+]([O-])c1ccc(CO)cc1N1CCC[C@@]2(CC=CCC2)C1 ZINC000302056385 296504128 /nfs/dbraw/zinc/50/41/28/296504128.db2.gz QRNQMNRTALRNDX-KRWDZBQOSA-N 0 0 302.374 3.414 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(Oc2ccc(NC(C)=O)cc2)c1 ZINC000092582151 400182395 /nfs/dbraw/zinc/18/23/95/400182395.db2.gz IRDZCRUHPIQXDF-UHFFFAOYSA-N 0 0 320.276 3.493 10 5 DGBERN Cc1nnc([C@H](Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)[nH]1 ZINC000091479465 400122593 /nfs/dbraw/zinc/12/25/93/400122593.db2.gz WEXDJNBNIJLNNN-OAHLLOKOSA-N 0 0 309.329 3.223 10 5 DGBERN COc1cc(N2CCc3cc(F)ccc3C2)c([N+](=O)[O-])cc1F ZINC000091672793 400130324 /nfs/dbraw/zinc/13/03/24/400130324.db2.gz RNCSYRWBWIBOLY-UHFFFAOYSA-N 0 0 320.295 3.444 10 5 DGBERN Cc1ccc(OCCN(C)C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000016174105 400171547 /nfs/dbraw/zinc/17/15/47/400171547.db2.gz BSJPANXVOXLBDS-UHFFFAOYSA-N 0 0 320.370 3.116 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H](O)C2)c(Br)c1 ZINC000610273852 400230390 /nfs/dbraw/zinc/23/03/90/400230390.db2.gz RPSWVUDTMIKVJW-PSASIEDQSA-N 0 0 315.167 3.073 10 5 DGBERN CC(=O)N(C)c1cccc(Nc2ncc([N+](=O)[O-])cc2C)c1 ZINC000092663082 400191338 /nfs/dbraw/zinc/19/13/38/400191338.db2.gz CTIJZCIGGXIPHI-UHFFFAOYSA-N 0 0 300.318 3.025 10 5 DGBERN Cc1cnc(N2C[C@@H](c3ccccc3)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000610516398 400269011 /nfs/dbraw/zinc/26/90/11/400269011.db2.gz MOELRQAKSKHHJR-CJNGLKHVSA-N 0 0 313.357 3.265 10 5 DGBERN CCN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000589696234 400322525 /nfs/dbraw/zinc/32/25/25/400322525.db2.gz YMVLCSSSVQDGST-SNVBAGLBSA-N 0 0 304.268 3.229 10 5 DGBERN Cc1cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)[nH]1 ZINC000610622613 400282958 /nfs/dbraw/zinc/28/29/58/400282958.db2.gz FAWMQZVHALFECL-UHFFFAOYSA-N 0 0 301.346 3.205 10 5 DGBERN Cc1cc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)[nH]1 ZINC000610620767 400282964 /nfs/dbraw/zinc/28/29/64/400282964.db2.gz SFCFZKVDTMHKQM-NSHDSACASA-N 0 0 301.346 3.339 10 5 DGBERN C[C@H](Sc1nnc(C(C)(C)C)n1N)c1cccc([N+](=O)[O-])c1 ZINC000028217674 400287267 /nfs/dbraw/zinc/28/72/67/400287267.db2.gz IFHPXIUGMVUYHA-VIFPVBQESA-N 0 0 321.406 3.051 10 5 DGBERN O=[N+]([O-])c1cccc(Br)c1N[C@H]1CCC[C@@H](O)C1 ZINC000596081891 400312271 /nfs/dbraw/zinc/31/22/71/400312271.db2.gz BHYISGJMXAGHJH-DTWKUNHWSA-N 0 0 315.167 3.073 10 5 DGBERN O=[N+]([O-])[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1F ZINC000113877272 400382292 /nfs/dbraw/zinc/38/22/92/400382292.db2.gz JGEJNSUYFKBRNM-NVXWUHKLSA-N 0 0 300.333 3.070 10 5 DGBERN O=[N+]([O-])[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc(F)c1 ZINC000114031916 400385610 /nfs/dbraw/zinc/38/56/10/400385610.db2.gz REGUWZVPUVLAMT-SJORKVTESA-N 0 0 300.333 3.070 10 5 DGBERN CC1(C)CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1C1CC1 ZINC000589965111 400342173 /nfs/dbraw/zinc/34/21/73/400342173.db2.gz KRLAVOWRZYTWKP-OAHLLOKOSA-N 0 0 324.327 3.063 10 5 DGBERN Cc1cc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000110454542 400356433 /nfs/dbraw/zinc/35/64/33/400356433.db2.gz IMIITCKVWPVZKG-HZPDHXFCSA-N 0 0 310.353 3.437 10 5 DGBERN C[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccncc1 ZINC000611196499 400358316 /nfs/dbraw/zinc/35/83/16/400358316.db2.gz MQFPVFCOSHKQEG-NSHDSACASA-N 0 0 324.340 3.005 10 5 DGBERN COc1cc(NC[C@@H](C)c2ccncc2)c(F)cc1[N+](=O)[O-] ZINC000611256163 400366694 /nfs/dbraw/zinc/36/66/94/400366694.db2.gz QOWWILMMSUXHAD-SNVBAGLBSA-N 0 0 305.309 3.353 10 5 DGBERN CCN1Cc2c(Oc3cccc([N+](=O)[O-])c3)ccnc2NC1=O ZINC000115365164 400396625 /nfs/dbraw/zinc/39/66/25/400396625.db2.gz OVHIRIQKCLMXNZ-UHFFFAOYSA-N 0 0 314.301 3.150 10 5 DGBERN CO[C@H](c1ccccc1F)[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000611415328 400396981 /nfs/dbraw/zinc/39/69/81/400396981.db2.gz HSDBLXPWMWYOIY-BONVTDFDSA-N 0 0 305.309 3.317 10 5 DGBERN C[C@H](Cc1ccccc1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000041311893 400405621 /nfs/dbraw/zinc/40/56/21/400405621.db2.gz WDECESRTHMIPAH-CYBMUJFWSA-N 0 0 310.353 3.363 10 5 DGBERN O=[N+]([O-])c1cnc(N2CCC[C@H]2C2CCOCC2)c(Cl)c1 ZINC000611467747 400405917 /nfs/dbraw/zinc/40/59/17/400405917.db2.gz FHOAJEZFFGCLJX-ZDUSSCGKSA-N 0 0 311.769 3.039 10 5 DGBERN C[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000617746070 400445190 /nfs/dbraw/zinc/44/51/90/400445190.db2.gz YINKQISSFKVBQV-OLZOCXBDSA-N 0 0 313.357 3.013 10 5 DGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(CC)[nH]n1 ZINC000120029327 400442247 /nfs/dbraw/zinc/44/22/47/400442247.db2.gz BFMPYBXEYPTXEK-UHFFFAOYSA-N 0 0 320.374 3.245 10 5 DGBERN CC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000121192286 400452659 /nfs/dbraw/zinc/45/26/59/400452659.db2.gz GKLLRGRQYGHUMP-LLVKDONJSA-N 0 0 306.347 3.324 10 5 DGBERN CC[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000121192146 400452791 /nfs/dbraw/zinc/45/27/91/400452791.db2.gz GKLLRGRQYGHUMP-NSHDSACASA-N 0 0 306.347 3.324 10 5 DGBERN O=C(NCCNc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000043536901 400471378 /nfs/dbraw/zinc/47/13/78/400471378.db2.gz ZVIAVNOMDAMNLT-UHFFFAOYSA-N 0 0 319.748 3.090 10 5 DGBERN CCOc1cc(N2CCC3(CCOCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000612457637 400548490 /nfs/dbraw/zinc/54/84/90/400548490.db2.gz AEOIWHBPTNYEON-ZDUSSCGKSA-N 0 0 320.389 3.389 10 5 DGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1nccs1 ZINC000131543627 400551870 /nfs/dbraw/zinc/55/18/70/400551870.db2.gz XZTHTMFUUARXCI-NSHDSACASA-N 0 0 309.322 3.072 10 5 DGBERN C[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])CC(F)F ZINC000591966443 400589563 /nfs/dbraw/zinc/58/95/63/400589563.db2.gz YZKFSTZBWVBRHR-ZCFIWIBFSA-N 0 0 324.125 3.456 10 5 DGBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]1C1CCCCC1 ZINC000151355427 400672394 /nfs/dbraw/zinc/67/23/94/400672394.db2.gz OKZYJJMNSVVDLQ-HUUCEWRRSA-N 0 0 302.374 3.427 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@](C)(O)CCC(C)C ZINC000077658645 400736246 /nfs/dbraw/zinc/73/62/46/400736246.db2.gz KFGGLZXFHCLYKZ-MRXNPFEDSA-N 0 0 323.393 3.212 10 5 DGBERN C[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000052720302 400744015 /nfs/dbraw/zinc/74/40/15/400744015.db2.gz KQUFNFZBUOKXKU-LLVKDONJSA-N 0 0 320.370 3.171 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(F)ccc1Cl ZINC000171083005 400784898 /nfs/dbraw/zinc/78/48/98/400784898.db2.gz AYITUZHXRYIOBQ-UHFFFAOYSA-N 0 0 309.684 3.343 10 5 DGBERN Cc1cc(NC(=O)NC[C@@H](C)c2ccncc2)ccc1[N+](=O)[O-] ZINC000613779270 400788759 /nfs/dbraw/zinc/78/87/59/400788759.db2.gz OFMZDBRSWAISEA-GFCCVEGCSA-N 0 0 314.345 3.223 10 5 DGBERN CC(=O)c1ccc(NCc2nccn2CC(C)C)c([N+](=O)[O-])c1 ZINC000078336803 400789268 /nfs/dbraw/zinc/78/92/68/400789268.db2.gz CCZMTYUJQGJJRR-UHFFFAOYSA-N 0 0 316.361 3.262 10 5 DGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1C1CCCCC1 ZINC000172786568 400839402 /nfs/dbraw/zinc/83/94/02/400839402.db2.gz HMETVYYGTMGVJR-HOTGVXAUSA-N 0 0 302.374 3.427 10 5 DGBERN C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000056465527 400928158 /nfs/dbraw/zinc/92/81/58/400928158.db2.gz ORQUSLDVVZPPCU-SNVBAGLBSA-N 0 0 305.359 3.217 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)c1ccncc1 ZINC000615037453 400991840 /nfs/dbraw/zinc/99/18/40/400991840.db2.gz IARLYQMSYXTBBF-GFCCVEGCSA-N 0 0 314.345 3.223 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C)c1ccncc1 ZINC000615037454 400992016 /nfs/dbraw/zinc/99/20/16/400992016.db2.gz IARLYQMSYXTBBF-LBPRGKRZSA-N 0 0 314.345 3.223 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N(C)Cc2nc(C)cs2)c1 ZINC000080644281 400972548 /nfs/dbraw/zinc/97/25/48/400972548.db2.gz JUBFOEXLAZFMOA-UHFFFAOYSA-N 0 0 311.338 3.144 10 5 DGBERN COCC1(CNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000594592658 401120478 /nfs/dbraw/zinc/12/04/78/401120478.db2.gz QXHPPNKFHPIRGX-UHFFFAOYSA-N 0 0 315.167 3.196 10 5 DGBERN Cc1ccccc1[C@@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000063069871 401180069 /nfs/dbraw/zinc/18/00/69/401180069.db2.gz SNOOWWZZQZRLAY-CYBMUJFWSA-N 0 0 313.357 3.464 10 5 DGBERN COc1cc(N2CCOC3(CCCCC3)C2)c([N+](=O)[O-])cc1F ZINC000301634525 286229727 /nfs/dbraw/zinc/22/97/27/286229727.db2.gz KQNUSCILPJHIKM-UHFFFAOYSA-N 0 0 324.352 3.282 10 5 DGBERN COc1ccc([N+](=O)[O-])c(C(=O)NC2CCC(C)(C)CC2)c1 ZINC000128238612 286381602 /nfs/dbraw/zinc/38/16/02/286381602.db2.gz VYCIWCHPHSOSAX-UHFFFAOYSA-N 0 0 306.362 3.302 10 5 DGBERN Cc1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cs1 ZINC000170497099 164613471 /nfs/dbraw/zinc/61/34/71/164613471.db2.gz SYYYIVCBGNQWTN-SECBINFHSA-N 0 0 305.359 3.159 10 5 DGBERN Cc1cc(N[C@H]2CCc3nnc(C(C)C)n3C2)ccc1[N+](=O)[O-] ZINC000171364092 164624808 /nfs/dbraw/zinc/62/48/08/164624808.db2.gz DKFKGQLZDRZKTC-ZDUSSCGKSA-N 0 0 315.377 3.045 10 5 DGBERN C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000180596722 164889124 /nfs/dbraw/zinc/88/91/24/164889124.db2.gz XJMSFEVTAHKERD-SECBINFHSA-N 0 0 319.748 3.321 10 5 DGBERN CCc1cc(NC(=O)CCSC)c2cc([N+](=O)[O-])ccc2n1 ZINC000185566177 165008932 /nfs/dbraw/zinc/00/89/32/165008932.db2.gz PTWJCTJDAJDACR-UHFFFAOYSA-N 0 0 319.386 3.397 10 5 DGBERN C[C@H](Sc1nc2cncnc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000186755064 165059688 /nfs/dbraw/zinc/05/96/88/165059688.db2.gz WLWNASUYATTYIX-QMMMGPOBSA-N 0 0 301.331 3.114 10 5 DGBERN COc1ccc(OCc2nc(C3CCCC3)no2)cc1[N+](=O)[O-] ZINC000190189368 165191861 /nfs/dbraw/zinc/19/18/61/165191861.db2.gz MANZRAAWOMRNIP-UHFFFAOYSA-N 0 0 319.317 3.223 10 5 DGBERN COc1ccc([C@@H]2C[C@@H](C)N(c3ncc([N+](=O)[O-])s3)C2)cc1 ZINC000192459634 165293088 /nfs/dbraw/zinc/29/30/88/165293088.db2.gz UWVNMYAIIFJYID-ZYHUDNBSSA-N 0 0 319.386 3.442 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(SC)cc1 ZINC000192526251 165295257 /nfs/dbraw/zinc/29/52/57/165295257.db2.gz QVEZDHHMUCNHOZ-UHFFFAOYSA-N 0 0 306.391 3.454 10 5 DGBERN Cc1cc(NCc2cccnc2-n2ccnc2)ccc1[N+](=O)[O-] ZINC000193840331 165332980 /nfs/dbraw/zinc/33/29/80/165332980.db2.gz JOLJBKHLMQAGDE-UHFFFAOYSA-N 0 0 309.329 3.096 10 5 DGBERN Cc1c(NC(=O)[C@H]2CCCc3cccnc32)cccc1[N+](=O)[O-] ZINC000193869010 165333705 /nfs/dbraw/zinc/33/37/05/165333705.db2.gz UBRWUYXHQWWSLQ-ZDUSSCGKSA-N 0 0 311.341 3.357 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C1CCCCC1 ZINC000194165195 165339448 /nfs/dbraw/zinc/33/94/48/165339448.db2.gz LDUNZYCYMKATFR-INIZCTEOSA-N 0 0 317.389 3.483 10 5 DGBERN Cc1cc(NC(=O)[C@H]2CCCc3cccnc32)ccc1[N+](=O)[O-] ZINC000194831944 165355615 /nfs/dbraw/zinc/35/56/15/165355615.db2.gz PGXVGWQWSAAVHR-AWEZNQCLSA-N 0 0 311.341 3.357 10 5 DGBERN CN(C(=O)[C@H]1CCCc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000194760594 165355828 /nfs/dbraw/zinc/35/58/28/165355828.db2.gz GNHXFENDLVQAHP-HNNXBMFYSA-N 0 0 311.341 3.073 10 5 DGBERN CN1CC[C@H](CNc2ncc([N+](=O)[O-])s2)c2ccccc21 ZINC000195510369 165372328 /nfs/dbraw/zinc/37/23/28/165372328.db2.gz PHXATYVWDNSYBB-SNVBAGLBSA-N 0 0 304.375 3.087 10 5 DGBERN COC(=O)c1cc(N[C@H](C)c2ccccn2)cc(C)c1[N+](=O)[O-] ZINC000129202923 196028518 /nfs/dbraw/zinc/02/85/18/196028518.db2.gz BXMCJXIYKPTBLH-LLVKDONJSA-N 0 0 315.329 3.258 10 5 DGBERN O=[N+]([O-])c1ccc(Cl)c(CN2CCC(c3cc[nH]n3)CC2)c1 ZINC000172177526 432200897 /nfs/dbraw/zinc/20/08/97/432200897.db2.gz APMNLVOGCFMVKE-UHFFFAOYSA-N 0 0 320.780 3.351 10 5 DGBERN Cc1ccc(NC(=O)NCc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000182756784 432226091 /nfs/dbraw/zinc/22/60/91/432226091.db2.gz PXPHFQKVAJXZDO-UHFFFAOYSA-N 0 0 320.736 3.273 10 5 DGBERN Cc1nc(NC(=O)C/C=C/c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000134068714 196358124 /nfs/dbraw/zinc/35/81/24/196358124.db2.gz ZAEBIXSUGCOFJL-HWKANZROSA-N 0 0 315.304 3.479 10 5 DGBERN Cc1sc(C(=O)N[C@@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000171387986 228270823 /nfs/dbraw/zinc/27/08/23/228270823.db2.gz WJOJDRXLIRGEFJ-QMMMGPOBSA-N 0 0 306.343 3.161 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H](C(C)C)CC2)n1 ZINC000191713392 228531740 /nfs/dbraw/zinc/53/17/40/228531740.db2.gz NSAWPHCTNMTXNH-CHWSQXEVSA-N 0 0 322.409 3.146 10 5 DGBERN O=[N+]([O-])c1cccnc1N1CCC[C@@H](COc2ccccc2)C1 ZINC000301269574 229599180 /nfs/dbraw/zinc/59/91/80/229599180.db2.gz GOTABPFTJDIDPC-CQSZACIVSA-N 0 0 313.357 3.285 10 5 DGBERN Cc1ccccc1O[C@@H](C)CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302026301 230044711 /nfs/dbraw/zinc/04/47/11/230044711.db2.gz IATRQZWFUIPFTI-ZDUSSCGKSA-N 0 0 316.357 3.275 10 5 DGBERN Cc1cc(C)cc(CCNc2cc(CO)ccc2[N+](=O)[O-])c1 ZINC000302028754 230047934 /nfs/dbraw/zinc/04/79/34/230047934.db2.gz JDFLSIBTCBVKNR-UHFFFAOYSA-N 0 0 300.358 3.359 10 5 DGBERN Cc1ccc(O[C@H](C)CNc2cc(CO)ccc2[N+](=O)[O-])cc1 ZINC000302036153 230050882 /nfs/dbraw/zinc/05/08/82/230050882.db2.gz LWTMCVJSQOQNSW-CYBMUJFWSA-N 0 0 316.357 3.275 10 5 DGBERN O=[N+]([O-])c1cc(F)ccc1N(CCO)Cc1cccc(Cl)c1 ZINC000302684771 230350233 /nfs/dbraw/zinc/35/02/33/230350233.db2.gz AVDSXVRWZUNHGW-UHFFFAOYSA-N 0 0 324.739 3.386 10 5 DGBERN CC[C@H](NC(=O)[C@@H](C)CCCOC)c1cccc([N+](=O)[O-])c1 ZINC000182809291 432229717 /nfs/dbraw/zinc/22/97/17/432229717.db2.gz BDJGIDNBEGJPOK-WFASDCNBSA-N 0 0 308.378 3.225 10 5 DGBERN Cc1cnc(N[C@H](C)COCc2ccccc2)c([N+](=O)[O-])c1 ZINC000172808566 432237919 /nfs/dbraw/zinc/23/79/19/432237919.db2.gz OAGBTMCUVYAKLE-CYBMUJFWSA-N 0 0 301.346 3.315 10 5 DGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000359875978 271005221 /nfs/dbraw/zinc/00/52/21/271005221.db2.gz MBIVCYUFTDVFCC-BQBZGAKWSA-N 0 0 320.296 3.081 10 5 DGBERN C[C@H]1[C@@H](C(F)(F)F)CCN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000359883980 271008967 /nfs/dbraw/zinc/00/89/67/271008967.db2.gz YIQSEAZCINQTTP-BQBZGAKWSA-N 0 0 307.247 3.093 10 5 DGBERN Cc1cccc(C(=O)Nc2cccc3c2OCCC3)c1[N+](=O)[O-] ZINC000370496761 271366050 /nfs/dbraw/zinc/36/60/50/271366050.db2.gz VHTZMAQFAQVWOZ-UHFFFAOYSA-N 0 0 312.325 3.481 10 5 DGBERN CO[C@@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC[C@@H]1C ZINC000191390525 432260772 /nfs/dbraw/zinc/26/07/72/432260772.db2.gz DDAJUXUQVYMZEH-ZUZCIYMTSA-N 0 0 321.377 3.100 10 5 DGBERN CC1(C)CN(c2ccc([N+](=O)[O-])cn2)CC[C@H]1C(F)(F)F ZINC000302727641 275850585 /nfs/dbraw/zinc/85/05/85/275850585.db2.gz PZTXCUDPXQJLCJ-SNVBAGLBSA-N 0 0 303.284 3.405 10 5 DGBERN CC1(C)COC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000313152081 275854466 /nfs/dbraw/zinc/85/44/66/275854466.db2.gz VSCZGDRWAPPGCX-NSHDSACASA-N 0 0 315.167 3.194 10 5 DGBERN CC(C)c1n[nH]c(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC000408173674 276041054 /nfs/dbraw/zinc/04/10/54/276041054.db2.gz MNRCNVYKIWHCEH-MEDUHNTESA-N 0 0 320.393 3.094 10 5 DGBERN CC1(C)SC[C@@H]1Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000338422713 276158281 /nfs/dbraw/zinc/15/82/81/276158281.db2.gz RFTRKNJNZUBCOF-QMMMGPOBSA-N 0 0 318.196 3.058 10 5 DGBERN CCN(C[C@@H]1CCCO1)C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000185432703 276351198 /nfs/dbraw/zinc/35/11/98/276351198.db2.gz CKPYQOSZZVMQQB-BYIUCRAPSA-N 0 0 318.373 3.026 10 5 DGBERN C[C@@H]1CCC[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@@H]1C ZINC000481092996 429723120 /nfs/dbraw/zinc/72/31/20/429723120.db2.gz SMHGYHIWEDTZBL-IJLUTSLNSA-N 0 0 303.366 3.122 10 5 DGBERN CC[C@H](N[C@@H]1CCCn2nc(C)nc21)c1cccc([N+](=O)[O-])c1 ZINC000181260235 276589294 /nfs/dbraw/zinc/58/92/94/276589294.db2.gz IUUJRUUDEBWSHJ-LSDHHAIUSA-N 0 0 315.377 3.071 10 5 DGBERN CCn1cc(C2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)cn1 ZINC000195498494 276713483 /nfs/dbraw/zinc/71/34/83/276713483.db2.gz BKZAIZDTYRGBOY-UHFFFAOYSA-N 0 0 318.352 3.334 10 5 DGBERN COC(=O)c1cc(N2CCSC(C)(C)C2)cc(C)c1[N+](=O)[O-] ZINC000301641538 277423435 /nfs/dbraw/zinc/42/34/35/277423435.db2.gz BNGCZTIHKUNPRH-UHFFFAOYSA-N 0 0 324.402 3.022 10 5 DGBERN CO[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[C@H]1C ZINC000275965788 277750142 /nfs/dbraw/zinc/75/01/42/277750142.db2.gz GTYIFXZVBHUDCJ-ABAIWWIYSA-N 0 0 301.346 3.004 10 5 DGBERN CC(C)(C)C1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000181092323 278302983 /nfs/dbraw/zinc/30/29/83/278302983.db2.gz AFZHQVADHAJVJK-UHFFFAOYSA-N 0 0 305.378 3.075 10 5 DGBERN Cc1sc(C(=O)N2CCOc3cc(C)ccc32)cc1[N+](=O)[O-] ZINC000154730506 279282180 /nfs/dbraw/zinc/28/21/80/279282180.db2.gz PJSJPXBBEBIBCC-UHFFFAOYSA-N 0 0 318.354 3.312 10 5 DGBERN Cn1cc([C@@H]2CCCN2c2ccc3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000108945967 279347125 /nfs/dbraw/zinc/34/71/25/279347125.db2.gz XCPOFLVGRSXHFF-INIZCTEOSA-N 0 0 323.356 3.218 10 5 DGBERN O=[N+]([O-])c1ccc(CN[C@H]2COc3ccccc32)c(Cl)c1 ZINC000070530028 431252359 /nfs/dbraw/zinc/25/23/59/431252359.db2.gz HIJKWVLILGCKIQ-AWEZNQCLSA-N 0 0 304.733 3.472 10 5 DGBERN COc1ccc([N+](=O)[O-])c(C(=O)NC/C=C/c2ccccc2)c1 ZINC000112585695 431288549 /nfs/dbraw/zinc/28/85/49/431288549.db2.gz IUYIFBIXLLJSMQ-VMPITWQZSA-N 0 0 312.325 3.047 10 5 DGBERN CC[C@H](C)Sc1nc(Cc2ccc([N+](=O)[O-])cc2)cc(=O)[nH]1 ZINC000013474603 431557906 /nfs/dbraw/zinc/55/79/06/431557906.db2.gz BKZLLLDAYWXMHJ-JTQLQIEISA-N 0 0 319.386 3.160 10 5 DGBERN C[C@H]1SCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H]1C ZINC000301281660 280091343 /nfs/dbraw/zinc/09/13/43/280091343.db2.gz KTDSHUPOZJWPHS-GHMZBOCLSA-N 0 0 303.387 3.473 10 5 DGBERN O=[N+]([O-])c1cnc(N2CC[C@@H]3CCC[C@H]32)c(Br)c1 ZINC000408363303 280380933 /nfs/dbraw/zinc/38/09/33/280380933.db2.gz VYBMJYPSGDNPJX-GZMMTYOYSA-N 0 0 312.167 3.131 10 5 DGBERN COc1cc2ncc3c(N)nc4cc(N)ccc4c3c2cc1OC ZINC000014969819 431598536 /nfs/dbraw/zinc/59/85/36/431598536.db2.gz YSTGCOBGJRKKPX-UHFFFAOYSA-N 0 0 320.352 3.118 10 5 DGBERN Cc1c(NC(=O)NC[C@](C)(O)CCC(C)C)cccc1[N+](=O)[O-] ZINC000077660920 431615002 /nfs/dbraw/zinc/61/50/02/431615002.db2.gz PJFOQIVOUQDDGU-MRXNPFEDSA-N 0 0 323.393 3.212 10 5 DGBERN CC(C)(C)[C@@H](O)CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000078670333 431693367 /nfs/dbraw/zinc/69/33/67/431693367.db2.gz GAVVPZNHUKOMLZ-NSHDSACASA-N 0 0 306.284 3.433 10 5 DGBERN Cc1c(C(=O)N(C)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000036768260 431841151 /nfs/dbraw/zinc/84/11/51/431841151.db2.gz UGGFSAFFNCNCNG-UHFFFAOYSA-N 0 0 302.305 3.315 10 5 DGBERN O=[N+]([O-])c1cc(CNc2ccc(-n3cccn3)cc2)cs1 ZINC000037562840 431847760 /nfs/dbraw/zinc/84/77/60/431847760.db2.gz OGHWGZXPXDYKNR-UHFFFAOYSA-N 0 0 300.343 3.454 10 5 DGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@H]1CCC[C@H]1O ZINC000089167734 431861150 /nfs/dbraw/zinc/86/11/50/431861150.db2.gz AWFDWXSEZAMMRS-PRHODGIISA-N 0 0 304.268 3.187 10 5 DGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H]1CCC[C@H]1O ZINC000089167733 431861316 /nfs/dbraw/zinc/86/13/16/431861316.db2.gz AWFDWXSEZAMMRS-QPUJVOFHSA-N 0 0 304.268 3.187 10 5 DGBERN Cc1c(CC(=O)N2CCC[C@@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000123547013 431868295 /nfs/dbraw/zinc/86/82/95/431868295.db2.gz TWYYBBHKXATRGP-OAHLLOKOSA-N 0 0 314.341 3.402 10 5 DGBERN CCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000122612476 431839751 /nfs/dbraw/zinc/83/97/51/431839751.db2.gz IUPMKHQVQNJONA-UHFFFAOYSA-N 0 0 315.329 3.339 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(C)Cc2ccccc2C1 ZINC000092595396 431910571 /nfs/dbraw/zinc/91/05/71/431910571.db2.gz SJHUPIIREJEEOQ-UHFFFAOYSA-N 0 0 310.353 3.191 10 5 DGBERN CC(C)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000045625406 431887715 /nfs/dbraw/zinc/88/77/15/431887715.db2.gz VWUZPESNEGXUTD-QMMMGPOBSA-N 0 0 315.167 3.132 10 5 DGBERN C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000124691945 431901667 /nfs/dbraw/zinc/90/16/67/431901667.db2.gz BKKVRYXSKIVPJJ-MRVPVSSYSA-N 0 0 322.271 3.151 10 5 DGBERN Cc1cc([N+](=O)[O-])cn(CCOc2cccc3ccccc32)c1=O ZINC000096778391 431956373 /nfs/dbraw/zinc/95/63/73/431956373.db2.gz SDDCCAMGTPFMKD-UHFFFAOYSA-N 0 0 324.336 3.297 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)cc2Cl)n1 ZINC000191450191 432265503 /nfs/dbraw/zinc/26/55/03/432265503.db2.gz YDZXVPZPAWAIBX-UHFFFAOYSA-N 0 0 308.725 3.025 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000153006204 432375817 /nfs/dbraw/zinc/37/58/17/432375817.db2.gz RTGKDDAPEIVWHI-UHFFFAOYSA-N 0 0 324.296 3.206 10 5 DGBERN COc1ccccc1[C@@H](O)CNc1ccc(C)cc1[N+](=O)[O-] ZINC000175010277 432388688 /nfs/dbraw/zinc/38/86/88/432388688.db2.gz NVVOULGWGVVDRZ-HNNXBMFYSA-N 0 0 302.330 3.057 10 5 DGBERN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000184408775 432388808 /nfs/dbraw/zinc/38/88/08/432388808.db2.gz HTFAJDCWIIHICT-KRWDZBQOSA-N 0 0 315.373 3.140 10 5 DGBERN CCCCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)n[nH]1 ZINC000153385800 432405252 /nfs/dbraw/zinc/40/52/52/432405252.db2.gz RGYHCMWERQUCOK-UHFFFAOYSA-N 0 0 302.334 3.221 10 5 DGBERN Cn1cc([C@@H]2CCCN2c2ccc3ncccc3c2[N+](=O)[O-])cn1 ZINC000174727395 432366677 /nfs/dbraw/zinc/36/66/77/432366677.db2.gz HXXVLLXEHHAFQL-HNNXBMFYSA-N 0 0 323.356 3.218 10 5 DGBERN CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000175372800 432429763 /nfs/dbraw/zinc/42/97/63/432429763.db2.gz NUXIPVKNYBISPM-VIFPVBQESA-N 0 0 321.358 3.319 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCO[C@H]1CC(C)C ZINC000184764646 432430442 /nfs/dbraw/zinc/43/04/42/432430442.db2.gz SVLVZDBNHSOPOJ-CVEARBPZSA-N 0 0 320.389 3.227 10 5 DGBERN CCC1(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000175465540 432439263 /nfs/dbraw/zinc/43/92/63/432439263.db2.gz DKFQWUKMEVCSRR-UHFFFAOYSA-N 0 0 305.378 3.236 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccc2ccccc21 ZINC000193041763 432442204 /nfs/dbraw/zinc/44/22/04/432442204.db2.gz JSJNQDBWHSUQAT-UHFFFAOYSA-N 0 0 321.336 3.381 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(F)F)cc1 ZINC000184619919 432413772 /nfs/dbraw/zinc/41/37/72/432413772.db2.gz OSXFXKBFADQOEO-UHFFFAOYSA-N 0 0 321.283 3.166 10 5 DGBERN CCCCCS(=O)(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000184638780 432415747 /nfs/dbraw/zinc/41/57/47/432415747.db2.gz CXWKKYWFEONCDL-CQSZACIVSA-N 0 0 314.407 3.156 10 5 DGBERN CC(C)Cc1nsc(N(C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000185169216 432473470 /nfs/dbraw/zinc/47/34/70/432473470.db2.gz FRLABQMUQQUSSM-UHFFFAOYSA-N 0 0 306.391 3.281 10 5 DGBERN CC(C)[C@@H]1C[C@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000185169706 432473863 /nfs/dbraw/zinc/47/38/63/432473863.db2.gz LPQJCORVCHGCEK-QWHCGFSZSA-N 0 0 310.781 3.499 10 5 DGBERN CN(C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000185540799 432510616 /nfs/dbraw/zinc/51/06/16/432510616.db2.gz JJDGDZHUQBWSEL-UHFFFAOYSA-N 0 0 311.769 3.332 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CCCCO1 ZINC000185699377 432525435 /nfs/dbraw/zinc/52/54/35/432525435.db2.gz UUPVFAYVZCQTAD-AHKFDXCISA-N 0 0 318.373 3.074 10 5 DGBERN CC(C)[C@H]1C[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000185752168 432530843 /nfs/dbraw/zinc/53/08/43/432530843.db2.gz KBWXLOWZSZNHPQ-ZJUUUORDSA-N 0 0 314.288 3.427 10 5 DGBERN Cc1sc(C(=O)N2CCCc3cccc(O)c32)cc1[N+](=O)[O-] ZINC000155635227 432564639 /nfs/dbraw/zinc/56/46/39/432564639.db2.gz DHKYJADICGAOOE-UHFFFAOYSA-N 0 0 318.354 3.263 10 5 DGBERN Cc1nc2cc(NC(=O)c3cc([N+](=O)[O-])cnc3C)ccc2o1 ZINC000195142353 432607155 /nfs/dbraw/zinc/60/71/55/432607155.db2.gz ZNLWVFGRIIJWIL-UHFFFAOYSA-N 0 0 312.285 3.000 10 5 DGBERN CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(F)cc1 ZINC000195137526 432607498 /nfs/dbraw/zinc/60/74/98/432607498.db2.gz WCOIQHNMVWXSDI-UHFFFAOYSA-N 0 0 303.293 3.104 10 5 DGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000194685436 432568436 /nfs/dbraw/zinc/56/84/36/432568436.db2.gz JTECNRSWWYWAFR-HUUCEWRRSA-N 0 0 310.353 3.437 10 5 DGBERN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000177054370 432580301 /nfs/dbraw/zinc/58/03/01/432580301.db2.gz SSJORMJBRZAGMM-RYUDHWBXSA-N 0 0 311.345 3.049 10 5 DGBERN Cc1nn(Cc2ncc(-c3cccc(F)c3)o2)c(C)c1[N+](=O)[O-] ZINC000177144509 432591404 /nfs/dbraw/zinc/59/14/04/432591404.db2.gz BIHAIXXZKSLPCI-UHFFFAOYSA-N 0 0 316.292 3.251 10 5 DGBERN CCc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000195029158 432594483 /nfs/dbraw/zinc/59/44/83/432594483.db2.gz AIADTDPFYCSFOP-NSHDSACASA-N 0 0 313.357 3.352 10 5 DGBERN O=C(Nc1ccc2c(c1)CCO2)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195491936 432624181 /nfs/dbraw/zinc/62/41/81/432624181.db2.gz BNPHRPZYMXFNKV-UHFFFAOYSA-N 0 0 323.308 3.263 10 5 DGBERN O=C(Nc1ccc2c[nH]nc2c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195491300 432624878 /nfs/dbraw/zinc/62/48/78/432624878.db2.gz XANWSVDFAWWUNV-UHFFFAOYSA-N 0 0 321.296 3.205 10 5 DGBERN CCCCO[C@H](C)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000177804529 432663377 /nfs/dbraw/zinc/66/33/77/432663377.db2.gz KSYCDHCWKMEFJC-DOMZBBRYSA-N 0 0 308.378 3.367 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2sccc21 ZINC000160207409 432709476 /nfs/dbraw/zinc/70/94/76/432709476.db2.gz BSMHUJLXKXUFOW-CYBMUJFWSA-N 0 0 317.370 3.167 10 5 DGBERN COC(=O)c1cc(F)ccc1CSc1ccc([N+](=O)[O-])cn1 ZINC000160349229 432716297 /nfs/dbraw/zinc/71/62/97/432716297.db2.gz RBVHGEVRIJDYTO-UHFFFAOYSA-N 0 0 322.317 3.208 10 5 DGBERN Cc1nc(N[C@@H](C)COCc2ccccc2)ccc1[N+](=O)[O-] ZINC000178050865 432689232 /nfs/dbraw/zinc/68/92/32/432689232.db2.gz SEZCFGSBSAUIMK-LBPRGKRZSA-N 0 0 301.346 3.315 10 5 DGBERN Cc1ccc2oc(SCCn3ccc([N+](=O)[O-])n3)nc2c1 ZINC000178520355 432747104 /nfs/dbraw/zinc/74/71/04/432747104.db2.gz CSFVOSXXBCYBSO-UHFFFAOYSA-N 0 0 304.331 3.033 10 5 DGBERN Cc1csc([C@H]2COCCN2c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000189133978 432764680 /nfs/dbraw/zinc/76/46/80/432764680.db2.gz BQPHMPKFLRKZHV-CYBMUJFWSA-N 0 0 323.349 3.077 10 5 DGBERN Cc1cc(NC[C@H](O)C(C)C)c(Br)cc1[N+](=O)[O-] ZINC000232688678 432736660 /nfs/dbraw/zinc/73/66/60/432736660.db2.gz AZCRYCDXAXOPLF-LBPRGKRZSA-N 0 0 317.183 3.095 10 5 DGBERN Cc1cnc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000161589816 432788529 /nfs/dbraw/zinc/78/85/29/432788529.db2.gz JLMQLRZWRTWONV-UHFFFAOYSA-N 0 0 302.315 3.093 10 5 DGBERN COc1cc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000268387278 432868114 /nfs/dbraw/zinc/86/81/14/432868114.db2.gz LCLQKGHDWLBSEC-UDZFHETQSA-N 0 0 310.325 3.112 10 5 DGBERN CC(=O)c1c(C)cccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000157931113 292755733 /nfs/dbraw/zinc/75/57/33/292755733.db2.gz NXIYQPBMDRKVJB-UHFFFAOYSA-N 0 0 312.325 3.287 10 5 DGBERN COC(=O)c1cc(N[C@@H]2C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301113328 433420362 /nfs/dbraw/zinc/42/03/62/433420362.db2.gz LEGBCAUZLOTPHR-DZGCQCFKSA-N 0 0 312.325 3.349 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCC[C@H](n3cccn3)C2)c(Cl)c1 ZINC000301150869 433434346 /nfs/dbraw/zinc/43/43/46/433434346.db2.gz DBLBJQAMABVGSG-LBPRGKRZSA-N 0 0 306.753 3.286 10 5 DGBERN CC(=O)c1cccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000342053704 433438722 /nfs/dbraw/zinc/43/87/22/433438722.db2.gz IAVIQEFECQEUAX-NSHDSACASA-N 0 0 312.325 3.288 10 5 DGBERN CCc1oc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1C ZINC000159198544 292786497 /nfs/dbraw/zinc/78/64/97/292786497.db2.gz LSPBSADOEWLDJD-UHFFFAOYSA-N 0 0 304.302 3.320 10 5 DGBERN O=[N+]([O-])c1cnc(NCCc2ccc3c(c2)CCO3)c(Cl)c1 ZINC000301264109 433476760 /nfs/dbraw/zinc/47/67/60/433476760.db2.gz HEMQUTUEAGWBBN-UHFFFAOYSA-N 0 0 319.748 3.233 10 5 DGBERN O=[N+]([O-])c1ccc(NC[C@@H](O)C2CCCC2)c2ccncc21 ZINC000301303168 433498562 /nfs/dbraw/zinc/49/85/62/433498562.db2.gz WLCKCUHJMNWGPD-MRXNPFEDSA-N 0 0 301.346 3.106 10 5 DGBERN CCO[C@H]1C[C@@H](N(C)c2cc(C)c([N+](=O)[O-])cn2)C12CCCC2 ZINC000301420713 433546392 /nfs/dbraw/zinc/54/63/92/433546392.db2.gz DWPPNIMHJKTBOU-CABCVRRESA-N 0 0 319.405 3.472 10 5 DGBERN O=[N+]([O-])c1c(F)cccc1NCCc1nc2cc(F)ccc2[nH]1 ZINC000301718510 433689113 /nfs/dbraw/zinc/68/91/13/433689113.db2.gz LLGUOCPBDWUYDX-UHFFFAOYSA-N 0 0 318.283 3.404 10 5 DGBERN CCOc1cc(N2CC[C@@]3(O)CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301636300 433651295 /nfs/dbraw/zinc/65/12/95/433651295.db2.gz AAPXYIWUSLJDTN-GUYCJALGSA-N 0 0 320.389 3.125 10 5 DGBERN CN(Cc1ccccc1[N+](=O)[O-])c1cc(F)ccc1[N+](=O)[O-] ZINC000302826072 433873981 /nfs/dbraw/zinc/87/39/81/433873981.db2.gz ZZCHJPVQMJKSBT-UHFFFAOYSA-N 0 0 305.265 3.279 10 5 DGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1NCCC1(C)OCCO1 ZINC000302797834 433863721 /nfs/dbraw/zinc/86/37/21/433863721.db2.gz ATSVLNSLYMXAPK-UHFFFAOYSA-N 0 0 300.742 3.122 10 5 DGBERN O=[N+]([O-])c1ccc(F)cc1NCCc1cn2ccccc2n1 ZINC000302841738 433883158 /nfs/dbraw/zinc/88/31/58/433883158.db2.gz DDDAGLSXRGWFQU-UHFFFAOYSA-N 0 0 300.293 3.036 10 5 DGBERN CCOC1CC(COc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000505521487 294240979 /nfs/dbraw/zinc/24/09/79/294240979.db2.gz WLXAZCMDJKXYFN-UHFFFAOYSA-N 0 0 302.330 3.337 10 5 DGBERN CC1(C)OCC[C@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000328209796 434284254 /nfs/dbraw/zinc/28/42/54/434284254.db2.gz JSUWRAMNDPILAI-LLVKDONJSA-N 0 0 315.167 3.337 10 5 DGBERN CC1(C)C[C@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438016256 434384246 /nfs/dbraw/zinc/38/42/46/434384246.db2.gz SBDTTZNWJMPFCY-CQSZACIVSA-N 0 0 303.362 3.067 10 5 DGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)[C@H](C)[C@H](C)O1 ZINC000408443087 434576962 /nfs/dbraw/zinc/57/69/62/434576962.db2.gz MFHXTXXCXQUMOD-UTUOFQBUSA-N 0 0 301.346 3.145 10 5 DGBERN Cc1cc(N2C[C@H](C)O[C@@H](C)[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000408440743 434575374 /nfs/dbraw/zinc/57/53/74/434575374.db2.gz AJNVKNKFROODML-AVGNSLFASA-N 0 0 315.373 3.454 10 5 DGBERN O=[N+]([O-])c1ccccc1NCC[C@H]1COc2ccccc2O1 ZINC000360783244 434693321 /nfs/dbraw/zinc/69/33/21/434693321.db2.gz SXASEAQSOYNSON-LBPRGKRZSA-N 0 0 300.314 3.237 10 5 DGBERN Cc1ccc([C@@H]2CCCN2c2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000371339519 434674278 /nfs/dbraw/zinc/67/42/78/434674278.db2.gz RWLWRKIFOBBJHN-AWEZNQCLSA-N 0 0 323.356 3.287 10 5 DGBERN CC[C@@H](CNc1ccc([N+](=O)[O-])nc1)Oc1cccc(F)c1 ZINC000440194396 434685361 /nfs/dbraw/zinc/68/53/61/434685361.db2.gz YSLWFMRBHBPTJL-ZDUSSCGKSA-N 0 0 305.309 3.398 10 5 DGBERN COC(=O)c1c(C(F)(F)F)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575379803 435032000 /nfs/dbraw/zinc/03/20/00/435032000.db2.gz MSZMMNTXEONIFL-UHFFFAOYSA-N 0 0 317.141 3.419 10 5 DGBERN CC(=O)c1cc(OC(F)(F)F)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575664863 435040543 /nfs/dbraw/zinc/04/05/43/435040543.db2.gz AEYFAWHUONJSOU-UHFFFAOYSA-N 0 0 315.150 3.297 10 5 DGBERN CC(=O)c1cc(OC(F)(F)F)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575668908 435041911 /nfs/dbraw/zinc/04/19/11/435041911.db2.gz VSBSTOMDZSBFPW-UHFFFAOYSA-N 0 0 315.150 3.297 10 5 DGBERN CCOC(=O)c1cc(CC)cc(Br)c1[N+](=O)[O-] ZINC000575699307 435046485 /nfs/dbraw/zinc/04/64/85/435046485.db2.gz JKLKNIKSWBGTCB-UHFFFAOYSA-N 0 0 302.124 3.096 10 5 DGBERN CCOC(=O)Cc1cc(Br)cc([N+](=O)[O-])c1CC ZINC000575699273 435046493 /nfs/dbraw/zinc/04/64/93/435046493.db2.gz IXBFLDQDRJTDOX-UHFFFAOYSA-N 0 0 316.151 3.025 10 5 DGBERN CCOC(=O)c1cc(Br)cc(CC)c1[N+](=O)[O-] ZINC000575700732 435047660 /nfs/dbraw/zinc/04/76/60/435047660.db2.gz UPTJFXMIAWNSIG-UHFFFAOYSA-N 0 0 302.124 3.096 10 5 DGBERN CCOC(=O)Cc1cc(Br)c([N+](=O)[O-])c(CC)c1 ZINC000575700849 435048225 /nfs/dbraw/zinc/04/82/25/435048225.db2.gz WBRXYUHUZILXGH-UHFFFAOYSA-N 0 0 316.151 3.025 10 5 DGBERN O=C1CCN1c1ccc(Nc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000579336524 435146680 /nfs/dbraw/zinc/14/66/80/435146680.db2.gz PQOHRASQHGUYBY-UHFFFAOYSA-N 0 0 301.277 3.214 10 5 DGBERN CCC1(CC)CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000561234902 435206669 /nfs/dbraw/zinc/20/66/69/435206669.db2.gz GTXCEMHOUKJIKZ-UHFFFAOYSA-N 0 0 321.377 3.101 10 5 DGBERN C[C@H](C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C)c1cccnc1 ZINC000174030295 298112986 /nfs/dbraw/zinc/11/29/86/298112986.db2.gz VJFOLASLCUKGLV-NEPJUHHUSA-N 0 0 311.341 3.071 10 5 DGBERN Cc1cc(N2CCC[C@H](C(F)(F)F)[C@H]2C)ncc1[N+](=O)[O-] ZINC000548483428 435696881 /nfs/dbraw/zinc/69/68/81/435696881.db2.gz IAKOURLKEWZBTE-ZJUUUORDSA-N 0 0 303.284 3.465 10 5 DGBERN Nc1ccc(C(=O)N2CCC[C@]3(CC=CCC3)C2)cc1[N+](=O)[O-] ZINC000114437483 303495291 /nfs/dbraw/zinc/49/52/91/303495291.db2.gz DFNHQDNETKNVHO-QGZVFWFLSA-N 0 0 315.373 3.140 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1ccco1 ZINC000171447451 312720154 /nfs/dbraw/zinc/72/01/54/312720154.db2.gz AJGVKWKPPMGICU-LLVKDONJSA-N 0 0 300.314 3.098 10 5 DGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@@H]1C ZINC000537134195 313797654 /nfs/dbraw/zinc/79/76/54/313797654.db2.gz VVBZXRCSJKCNAS-QWRGUYRKSA-N 0 0 308.403 3.481 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1-c1noc(CCOCC(C)C)n1 ZINC000547102127 314344389 /nfs/dbraw/zinc/34/43/89/314344389.db2.gz CRMHUZLUZFCWTD-UHFFFAOYSA-N 0 0 305.334 3.168 10 5 DGBERN COC(=O)c1cc(C)nc(N(C)[C@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000552976078 314628701 /nfs/dbraw/zinc/62/87/01/314628701.db2.gz FXGRZKXZXRRENE-GWCFXTLKSA-N 0 0 321.377 3.100 10 5 DGBERN COC(=O)c1cc(C)nc(N2CCC[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000557535911 314808519 /nfs/dbraw/zinc/80/85/19/314808519.db2.gz OWFBEKIDBCYPAR-LBPRGKRZSA-N 0 0 321.377 3.100 10 5 DGBERN C/C(=C/c1ccccc1)CN(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000565810626 315288841 /nfs/dbraw/zinc/28/88/41/315288841.db2.gz PRCDFHVSEBWWAB-RAXLEYEMSA-N 0 0 311.341 3.165 10 5 DGBERN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@]2(CC=CCC2)C1 ZINC000570998321 315689816 /nfs/dbraw/zinc/68/98/16/315689816.db2.gz AGVPWWHHLAKSQU-INIZCTEOSA-N 0 0 304.394 3.446 10 5 DGBERN Cc1ccc(CN(C)C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000184725977 323373091 /nfs/dbraw/zinc/37/30/91/323373091.db2.gz CXKNNINNYZCTLX-LLVKDONJSA-N 0 0 320.320 3.397 10 5 DGBERN O=CN[C@@H](Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000584604059 337371213 /nfs/dbraw/zinc/37/12/13/337371213.db2.gz JEHGATVAJLHSPK-AWEZNQCLSA-N 0 0 304.733 3.278 10 5 DGBERN COC(=O)c1cc(N[C@@H]2CC(C)(C)OC2(C)C)ccc1[N+](=O)[O-] ZINC000302013045 533895104 /nfs/dbraw/zinc/89/51/04/533895104.db2.gz BFRCVWFGNLULOJ-CYBMUJFWSA-N 0 0 322.361 3.139 10 5 DGBERN COC(=O)c1ccc(F)c(CNc2ccc([N+](=O)[O-])cc2C)c1 ZINC000302209309 534170005 /nfs/dbraw/zinc/17/00/05/534170005.db2.gz XZOMTOYGEDGQAC-UHFFFAOYSA-N 0 0 318.304 3.441 10 5 DGBERN O=C(CNc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(Cl)cc1 ZINC000302787952 534599208 /nfs/dbraw/zinc/59/92/08/534599208.db2.gz BKSVVDVKAJBCKA-UHFFFAOYSA-N 0 0 323.711 3.438 10 5 DGBERN CC(C)(NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(F)(F)F ZINC000294409858 527285247 /nfs/dbraw/zinc/28/52/47/527285247.db2.gz MPYDQNJQXCHCMP-UHFFFAOYSA-N 0 0 310.659 3.319 10 5 DGBERN CC(=O)c1ccc(N[C@@H](CO)c2ccsc2)c([N+](=O)[O-])c1 ZINC000302261948 527319074 /nfs/dbraw/zinc/31/90/74/527319074.db2.gz PVIMMOVSTNNQFJ-ZDUSSCGKSA-N 0 0 306.343 3.004 10 5 DGBERN C/C(=C/c1nc(-c2nccc(C)n2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000432694565 527509277 /nfs/dbraw/zinc/50/92/77/527509277.db2.gz WBHWVXMXBRDXMS-KTKRTIGZSA-N 0 0 323.312 3.304 10 5 DGBERN CC(C)(C)C[C@H]1CCCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301995107 527703929 /nfs/dbraw/zinc/70/39/29/527703929.db2.gz OCMZCCDTPWFQHR-LLVKDONJSA-N 0 0 303.366 3.043 10 5 DGBERN CC(F)(F)CCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295668098 528723026 /nfs/dbraw/zinc/72/30/26/528723026.db2.gz WRZITATVXWNBGD-UHFFFAOYSA-N 0 0 306.696 3.413 10 5 DGBERN CC(F)(F)CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000295662812 528723272 /nfs/dbraw/zinc/72/32/72/528723272.db2.gz WDBGGLDMDIPDCW-UHFFFAOYSA-N 0 0 306.696 3.413 10 5 DGBERN COC(=O)c1ccc(OCCc2ccccc2)cc1[N+](=O)[O-] ZINC000613109531 547044008 /nfs/dbraw/zinc/04/40/08/547044008.db2.gz LSFVCZFTFHEBLB-UHFFFAOYSA-N 0 0 301.298 3.003 10 5 DGBERN CCc1cccc(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000127698131 618000356 /nfs/dbraw/zinc/00/03/56/618000356.db2.gz UCVAALGQRQVHHJ-UHFFFAOYSA-N 0 0 302.305 3.478 10 5 DGBERN O=[N+]([O-])c1ccc(F)c(NCc2nc(C3CCCC3)no2)c1 ZINC000151764651 620472563 /nfs/dbraw/zinc/47/25/63/620472563.db2.gz ATZJQNPAYICUGV-UHFFFAOYSA-N 0 0 306.297 3.387 10 5 DGBERN Cc1cc(OC[C@@H](O)c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000153621229 620586949 /nfs/dbraw/zinc/58/69/49/620586949.db2.gz IBBFFHYVTMUCCV-OAHLLOKOSA-N 0 0 309.268 3.294 10 5 DGBERN Cc1ccc(OC[C@H](O)c2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC000153655455 620590676 /nfs/dbraw/zinc/59/06/76/620590676.db2.gz JMHUTNDDIHCZLT-AWEZNQCLSA-N 0 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/nfs/dbraw/zinc/61/79/26/624617926.db2.gz DLGCBXQMTJQDDT-UHFFFAOYSA-N 0 0 308.725 3.176 10 5 DGBERN Cc1nc(C)c(COC(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000103824258 628009893 /nfs/dbraw/zinc/00/98/93/628009893.db2.gz NPRZLAOHMKLLFD-UHFFFAOYSA-N 0 0 306.343 3.334 10 5 DGBERN CC[C@@H]1CCCC[C@H]1OC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000102212962 630005273 /nfs/dbraw/zinc/00/52/73/630005273.db2.gz CXHKNEJRFHMIQX-ZIAGYGMSSA-N 0 0 323.393 3.310 10 5 DGBERN CCCOCCOC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000107413158 631620302 /nfs/dbraw/zinc/62/03/02/631620302.db2.gz KKPADEYYYQYOAQ-LLVKDONJSA-N 0 0 313.375 3.045 10 5 DGBERN CC[C@@H](C)C(=O)COc1cc(Br)ccc1[N+](=O)[O-] ZINC000703831220 660792994 /nfs/dbraw/zinc/79/29/94/660792994.db2.gz GJSKNWKPVUNGGB-MRVPVSSYSA-N 0 0 316.151 3.351 10 5 DGBERN O=C(NCC[C@@H]1CC1(F)F)c1cccc(Cl)c1[N+](=O)[O-] ZINC000706508978 660861791 /nfs/dbraw/zinc/86/17/91/660861791.db2.gz RGMDGQPRKNFOFG-SSDOTTSWSA-N 0 0 304.680 3.023 10 5 DGBERN 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CCCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000005792476 181284375 /nfs/dbraw/zinc/28/43/75/181284375.db2.gz YQMDJLXWDOXCPP-UHFFFAOYSA-N 0 0 315.713 3.076 10 5 DGBERN Cc1cc(NC(=O)NCCCc2ccccn2)ccc1[N+](=O)[O-] ZINC000184607532 199740471 /nfs/dbraw/zinc/74/04/71/199740471.db2.gz RBZHOVQOLMBRIZ-UHFFFAOYSA-N 0 0 314.345 3.053 10 5 DGBERN CCC1(CC)CN(Cc2ccc(C)c([N+](=O)[O-])c2)CC[S@@]1=O ZINC000187553982 200127280 /nfs/dbraw/zinc/12/72/80/200127280.db2.gz YTILWPUXBSRZDM-QFIPXVFZSA-N 0 0 324.446 3.026 10 5 DGBERN CO[C@@H]1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC[C@H]1C ZINC000187977241 200185239 /nfs/dbraw/zinc/18/52/39/200185239.db2.gz GPRJUAMRHSCFMV-QMTHXVAHSA-N 0 0 320.389 3.017 10 5 DGBERN CCOC(C)(C)CNC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000189143118 200355961 /nfs/dbraw/zinc/35/59/61/200355961.db2.gz PQJPPBAYNOPTIZ-CQSZACIVSA-N 0 0 323.393 3.160 10 5 DGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCCO[C@H]1C ZINC000190008827 200473905 /nfs/dbraw/zinc/47/39/05/200473905.db2.gz AVMJAKMVRCVXFG-XJKSGUPXSA-N 0 0 320.389 3.147 10 5 DGBERN CCc1cnc([C@@H](C)Nc2nc3sccn3c2[N+](=O)[O-])s1 ZINC000134926452 432090462 /nfs/dbraw/zinc/09/04/62/432090462.db2.gz ZCWGRVPQAZISHD-SSDOTTSWSA-N 0 0 323.403 3.496 10 5 DGBERN O=[N+]([O-])c1cc(Cl)cnc1NCCOc1ccc(F)cc1 ZINC000434947738 238257261 /nfs/dbraw/zinc/25/72/61/238257261.db2.gz SGYLGJQDJCRSQS-UHFFFAOYSA-N 0 0 311.700 3.273 10 5 DGBERN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC12CCC2 ZINC000435566397 238318452 /nfs/dbraw/zinc/31/84/52/238318452.db2.gz NTNSCQYSTXQPQQ-UHFFFAOYSA-N 0 0 317.389 3.256 10 5 DGBERN CN(C)c1c(=O)[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1 ZINC000006420174 181339835 /nfs/dbraw/zinc/33/98/35/181339835.db2.gz OIIZDECWNPMHHD-UHFFFAOYSA-N 0 0 309.325 3.169 10 5 DGBERN CCC(C)(CC)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000113294166 284101519 /nfs/dbraw/zinc/10/15/19/284101519.db2.gz OKTINRMCMWYFTH-UHFFFAOYSA-N 0 0 320.798 3.105 10 5 DGBERN Cc1c(C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000261850148 203134453 /nfs/dbraw/zinc/13/44/53/203134453.db2.gz ZSHZULJRDUWJEQ-KCXAZCMYSA-N 0 0 318.373 3.121 10 5 DGBERN Cc1ccc(CN2CCCC[C@@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000093438099 193251365 /nfs/dbraw/zinc/25/13/65/193251365.db2.gz YIVWZRJCFAABMC-OAHLLOKOSA-N 0 0 300.362 3.354 10 5 DGBERN COC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccccc1 ZINC000171320482 432122724 /nfs/dbraw/zinc/12/27/24/432122724.db2.gz RJSLRRPRQLIQES-LBPRGKRZSA-N 0 0 320.370 3.082 10 5 DGBERN O=C(N[C@@H]1CCCC(F)(F)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000488985725 245259015 /nfs/dbraw/zinc/25/90/15/245259015.db2.gz UZUQUIDURZFSQX-SECBINFHSA-N 0 0 302.252 3.042 10 5 DGBERN CC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1C)c1nccs1 ZINC000124655210 284262365 /nfs/dbraw/zinc/26/23/65/284262365.db2.gz SZJKNALSXFYLFC-GFCCVEGCSA-N 0 0 319.386 3.170 10 5 DGBERN C[C@@H]1CCSCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000190125550 432124727 /nfs/dbraw/zinc/12/47/27/432124727.db2.gz HCOVHUOJKMTQLK-SNVBAGLBSA-N 0 0 319.386 3.044 10 5 DGBERN COc1cc(F)c(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1F ZINC000126356764 284301802 /nfs/dbraw/zinc/30/18/02/284301802.db2.gz DTBOYHPZQMUAHT-UHFFFAOYSA-N 0 0 322.267 3.442 10 5 DGBERN C[C@H]1CCSCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000190125569 432125390 /nfs/dbraw/zinc/12/53/90/432125390.db2.gz HCOVHUOJKMTQLK-JTQLQIEISA-N 0 0 319.386 3.044 10 5 DGBERN CCC(=O)Nc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000014767178 181969880 /nfs/dbraw/zinc/96/98/80/181969880.db2.gz AMOKGSYUAGFOBQ-UHFFFAOYSA-N 0 0 314.297 3.163 10 5 DGBERN CC(F)(F)c1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c1 ZINC000190184234 432130354 /nfs/dbraw/zinc/13/03/54/432130354.db2.gz WYNSTBABJAGGSB-UHFFFAOYSA-N 0 0 323.255 3.059 10 5 DGBERN CC(=O)Oc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000021125502 182266218 /nfs/dbraw/zinc/26/62/18/182266218.db2.gz IWCGDYRUHQLGLB-UHFFFAOYSA-N 0 0 314.297 3.081 10 5 DGBERN CCc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)oc1CC ZINC000135657985 284485993 /nfs/dbraw/zinc/48/59/93/284485993.db2.gz FOFPVHFNYSKDRU-UHFFFAOYSA-N 0 0 302.330 3.243 10 5 DGBERN CCOc1ccc(Nc2ncnc(OC(C)C)c2[N+](=O)[O-])cc1 ZINC000040649608 183114242 /nfs/dbraw/zinc/11/42/42/183114242.db2.gz HTJLRVBNTFUALT-UHFFFAOYSA-N 0 0 318.333 3.314 10 5 DGBERN Cc1c(Cl)cccc1Nc1ncnc(N(C)C)c1[N+](=O)[O-] ZINC000040588397 183105931 /nfs/dbraw/zinc/10/59/31/183105931.db2.gz DDHFZPCGWFDQFX-UHFFFAOYSA-N 0 0 307.741 3.156 10 5 DGBERN CC(C)c1ccc(Nc2ncnc(-n3ccnc3)c2[N+](=O)[O-])cc1 ZINC000040594915 183106825 /nfs/dbraw/zinc/10/68/25/183106825.db2.gz FZXZVMYERMEMBN-UHFFFAOYSA-N 0 0 324.344 3.438 10 5 DGBERN CCCNc1ncnc(NCc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040597001 183107261 /nfs/dbraw/zinc/10/72/61/183107261.db2.gz JXDVHRWRWFMGAO-UHFFFAOYSA-N 0 0 321.768 3.472 10 5 DGBERN CCCNc1ncnc(Nc2cccc3cccnc32)c1[N+](=O)[O-] ZINC000040596843 183107448 /nfs/dbraw/zinc/10/74/48/183107448.db2.gz FYHQASDFWGMKTE-UHFFFAOYSA-N 0 0 324.344 3.499 10 5 DGBERN O=[N+]([O-])c1c(Nc2cc(F)ccc2F)ncnc1N1CCCC1 ZINC000040609302 183108586 /nfs/dbraw/zinc/10/85/86/183108586.db2.gz WFOQHAGFGOUUFK-UHFFFAOYSA-N 0 0 321.287 3.007 10 5 DGBERN CCN(CC)c1ncnc(Nc2cccc(C)c2)c1[N+](=O)[O-] ZINC000040608054 183108673 /nfs/dbraw/zinc/10/86/73/183108673.db2.gz XQUUXGUQEDFXDX-UHFFFAOYSA-N 0 0 301.350 3.283 10 5 DGBERN CC(C)C[C@H](CO)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000040779411 183132941 /nfs/dbraw/zinc/13/29/41/183132941.db2.gz FPYLPTOWYGOCFZ-SNVBAGLBSA-N 0 0 317.183 3.176 10 5 DGBERN O=C(N[C@@H]1CCCc2cc(F)ccc21)c1ccc([N+](=O)[O-])o1 ZINC000153267920 284664585 /nfs/dbraw/zinc/66/45/85/284664585.db2.gz JWOBZJRQNULEQJ-GFCCVEGCSA-N 0 0 304.277 3.134 10 5 DGBERN O=C(N[C@H]1CCCc2cc(F)ccc21)c1ccc([N+](=O)[O-])o1 ZINC000153267807 284664610 /nfs/dbraw/zinc/66/46/10/284664610.db2.gz JWOBZJRQNULEQJ-LBPRGKRZSA-N 0 0 304.277 3.134 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)CC(C)(C)C ZINC000188873505 284770206 /nfs/dbraw/zinc/77/02/06/284770206.db2.gz DJKSREKRWMHZMW-LLVKDONJSA-N 0 0 307.394 3.490 10 5 DGBERN CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000106695844 194245074 /nfs/dbraw/zinc/24/50/74/194245074.db2.gz HTKZCKRQOFHMON-ZDUSSCGKSA-N 0 0 324.352 3.155 10 5 DGBERN O=[N+]([O-])c1cc(Br)cnc1SC1CCOCC1 ZINC000062056055 184203423 /nfs/dbraw/zinc/20/34/23/184203423.db2.gz UVVOTEANDSLPHK-UHFFFAOYSA-N 0 0 319.180 3.023 10 5 DGBERN O=[N+]([O-])c1ccc([C@H](O)Cc2cccc(Br)c2)o1 ZINC000062143323 184209035 /nfs/dbraw/zinc/20/90/35/184209035.db2.gz YLSPMAGSNIPFPP-SNVBAGLBSA-N 0 0 312.119 3.226 10 5 DGBERN CN(CCc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000065667245 184376402 /nfs/dbraw/zinc/37/64/02/184376402.db2.gz ILYIDHZMKQDTOB-UHFFFAOYSA-N 0 0 320.295 3.188 10 5 DGBERN COC[C@H](Nc1ncc(C)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000435943882 533102354 /nfs/dbraw/zinc/10/23/54/533102354.db2.gz FACQEZZIAGKGTB-ZDUSSCGKSA-N 0 0 305.309 3.237 10 5 DGBERN CC(C)[C@H](Sc1ncccc1[N+](=O)[O-])C(=O)NC1CCCC1 ZINC000120453999 195170240 /nfs/dbraw/zinc/17/02/40/195170240.db2.gz ZHENZVPIMHLSBR-ZDUSSCGKSA-N 0 0 323.418 3.165 10 5 DGBERN Cc1noc(C)c1[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000152792152 196824317 /nfs/dbraw/zinc/82/43/17/196824317.db2.gz PQQZDAKSMQPCHR-JTQLQIEISA-N 0 0 317.345 3.042 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc2cccnc21 ZINC000125235528 195725897 /nfs/dbraw/zinc/72/58/97/195725897.db2.gz HLVFNRPKZXWGCW-UHFFFAOYSA-N 0 0 321.336 3.381 10 5 DGBERN COCCN(c1ncc([N+](=O)[O-])cc1Cl)[C@@H]1CC[C@@H](C)C1 ZINC000302723724 533339042 /nfs/dbraw/zinc/33/90/42/533339042.db2.gz NKRAKQQUSNKXLH-GHMZBOCLSA-N 0 0 313.785 3.285 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc([C@H]2CCCO2)no1 ZINC000274159109 533380945 /nfs/dbraw/zinc/38/09/45/533380945.db2.gz NPGRWAJTTFWSCN-ASCRHOAZSA-N 0 0 301.302 3.390 10 5 DGBERN COc1cccc(C(=O)N(C)C[C@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000436036968 533394684 /nfs/dbraw/zinc/39/46/84/533394684.db2.gz JFMFKWKAOSJFBV-LBPRGKRZSA-N 0 0 304.346 3.032 10 5 DGBERN CO[C@@H]1CN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC[C@H]1C ZINC000302528378 533484257 /nfs/dbraw/zinc/48/42/57/533484257.db2.gz DTXAXVOARLXMQC-NOZJJQNGSA-N 0 0 316.304 3.057 10 5 DGBERN C[C@@](O)(CNc1ccc([N+](=O)[O-])c(N)c1F)C1CCCCC1 ZINC000357745577 285852405 /nfs/dbraw/zinc/85/24/05/285852405.db2.gz KIIGXTYNRIXAIN-OAHLLOKOSA-N 0 0 311.357 3.059 10 5 DGBERN COc1ccc(C(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1OC ZINC000005883388 400090045 /nfs/dbraw/zinc/09/00/45/400090045.db2.gz DVFYEOUHPVZAIS-UHFFFAOYSA-N 0 0 316.313 3.173 10 5 DGBERN Cc1ccc(OCCN(C)C(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000016966454 400176973 /nfs/dbraw/zinc/17/69/73/400176973.db2.gz LYLIJQFEUHXRHS-UHFFFAOYSA-N 0 0 314.341 3.054 10 5 DGBERN O=[N+]([O-])c1ccsc1NCc1ccnc(OC(F)F)c1 ZINC000588050984 400183026 /nfs/dbraw/zinc/18/30/26/400183026.db2.gz ICZUZFWMTNPLJR-UHFFFAOYSA-N 0 0 301.274 3.265 10 5 DGBERN CC(C)(C)C[C@H]1CCCN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610274935 400230528 /nfs/dbraw/zinc/23/05/28/400230528.db2.gz UQLLFNMNHQVWJC-GFCCVEGCSA-N 0 0 305.378 3.099 10 5 DGBERN Cn1ccnc1C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000610282366 400234288 /nfs/dbraw/zinc/23/42/88/400234288.db2.gz OWCKCTVWROZTRR-AWEZNQCLSA-N 0 0 323.356 3.119 10 5 DGBERN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](c2ccco2)C1 ZINC000610365947 400250858 /nfs/dbraw/zinc/25/08/58/400250858.db2.gz GBGNHKZRMVEQNR-DGCLKSJQSA-N 0 0 317.345 3.140 10 5 DGBERN CC(C)(C(=O)Nc1ccc2nccn2c1)c1ccc([N+](=O)[O-])cc1 ZINC000610045154 400210083 /nfs/dbraw/zinc/21/00/83/400210083.db2.gz CJBFWWKLXPCWBQ-UHFFFAOYSA-N 0 0 324.340 3.159 10 5 DGBERN Cc1nc(N[C@H](CO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000092960900 400216115 /nfs/dbraw/zinc/21/61/15/400216115.db2.gz SNHORPUBMNMZAY-GFCCVEGCSA-N 0 0 307.737 3.097 10 5 DGBERN Cc1ccc(NC(=O)NC[C@@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000610530228 400272906 /nfs/dbraw/zinc/27/29/06/400272906.db2.gz BNADLXSHIYVXFM-GFCCVEGCSA-N 0 0 314.345 3.223 10 5 DGBERN COc1ccc([N+](=O)[O-])c(C(=O)NCc2csc(C)c2C)c1 ZINC000096555997 400275397 /nfs/dbraw/zinc/27/53/97/400275397.db2.gz IOWBKAXODYJOOH-UHFFFAOYSA-N 0 0 320.370 3.212 10 5 DGBERN O=[N+]([O-])c1cc(F)cc(OC(F)(F)F)c1Br ZINC000396063344 400281846 /nfs/dbraw/zinc/28/18/46/400281846.db2.gz VUVPEATXLGNCRL-UHFFFAOYSA-N 0 0 303.993 3.395 10 5 DGBERN CCc1ncc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)s1 ZINC000103374765 400309572 /nfs/dbraw/zinc/30/95/72/400309572.db2.gz HGOJFAZESTVSOD-VIFPVBQESA-N 0 0 317.370 3.205 10 5 DGBERN Cc1ccccc1[C@@H](C)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000029595640 400310961 /nfs/dbraw/zinc/31/09/61/400310961.db2.gz UBNUGLFWIVTCFX-LLVKDONJSA-N 0 0 324.340 3.313 10 5 DGBERN Cn1cc([C@H]2CCCCN2c2ncc([N+](=O)[O-])cc2Cl)cn1 ZINC000589101309 400259015 /nfs/dbraw/zinc/25/90/15/400259015.db2.gz RAPHOCFIOXWLFL-CYBMUJFWSA-N 0 0 321.768 3.108 10 5 DGBERN Cc1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)[nH]1 ZINC000610962176 400330449 /nfs/dbraw/zinc/33/04/49/400330449.db2.gz XLTYSBKAAKLVQD-UHFFFAOYSA-N 0 0 313.357 3.345 10 5 DGBERN COc1cc(C(=O)NC/C=C/c2ccccc2)ccc1[N+](=O)[O-] ZINC000112585078 400375882 /nfs/dbraw/zinc/37/58/82/400375882.db2.gz BFLSZRLZWPOYCY-VMPITWQZSA-N 0 0 312.325 3.047 10 5 DGBERN COC[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000611709395 400439825 /nfs/dbraw/zinc/43/98/25/400439825.db2.gz UAYQFPJNIHZCJO-MRXNPFEDSA-N 0 0 324.340 3.338 10 5 DGBERN Cc1cccc(NC(=O)COc2cc([N+](=O)[O-])ccc2C)c1 ZINC000125759156 400485426 /nfs/dbraw/zinc/48/54/26/400485426.db2.gz VMUMANPUHAIKKN-UHFFFAOYSA-N 0 0 300.314 3.229 10 5 DGBERN C[C@@H]1CCCCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000074659708 400524098 /nfs/dbraw/zinc/52/40/98/400524098.db2.gz SUWKNDUKPHZAHS-CYBMUJFWSA-N 0 0 315.373 3.341 10 5 DGBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H]1C1CCCCC1 ZINC000151355489 400672377 /nfs/dbraw/zinc/67/23/77/400672377.db2.gz OKZYJJMNSVVDLQ-CABCVRRESA-N 0 0 302.374 3.427 10 5 DGBERN CC(=O)c1cc(Br)cc([N+](=O)[O-])c1OC(F)F ZINC000165131272 400752365 /nfs/dbraw/zinc/75/23/65/400752365.db2.gz QCCIMFGTMAGZLD-UHFFFAOYSA-N 0 0 310.050 3.161 10 5 DGBERN Cc1nn(C)c(NCc2ccc(-c3cccnc3)cc2)c1[N+](=O)[O-] ZINC000078690399 400820786 /nfs/dbraw/zinc/82/07/86/400820786.db2.gz MUTWNFOKRJOCKD-UHFFFAOYSA-N 0 0 323.356 3.311 10 5 DGBERN CC(C)Cn1cnnc1[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000078022093 400761458 /nfs/dbraw/zinc/76/14/58/400761458.db2.gz MUNNGDLGQLSRJC-HNNXBMFYSA-N 0 0 315.377 3.184 10 5 DGBERN CC(C)(C)[C@H](O)CNc1ccc([N+](=O)[O-])cc1Br ZINC000078253690 400780333 /nfs/dbraw/zinc/78/03/33/400780333.db2.gz FQZCOUIRLLVLDS-LLVKDONJSA-N 0 0 317.183 3.176 10 5 DGBERN CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c(C)c1 ZINC000055805686 400894140 /nfs/dbraw/zinc/89/41/40/400894140.db2.gz SVORODQRDORNBV-UHFFFAOYSA-N 0 0 315.329 3.258 10 5 DGBERN CC(C)(C)OC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cn2)C1 ZINC000059243826 401089221 /nfs/dbraw/zinc/08/92/21/401089221.db2.gz HPYVUAKCIIUJSP-LLVKDONJSA-N 0 0 307.350 3.104 10 5 DGBERN CC(=O)c1ccc(NCCCc2c(C)noc2C)c([N+](=O)[O-])c1 ZINC000084928301 401161984 /nfs/dbraw/zinc/16/19/84/401161984.db2.gz UROJKQDIKRPSSN-UHFFFAOYSA-N 0 0 317.345 3.447 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(NCCCc2c(C)noc2C)c1 ZINC000084928245 401162105 /nfs/dbraw/zinc/16/21/05/401162105.db2.gz DQTARORAICXUCX-UHFFFAOYSA-N 0 0 323.324 3.392 10 5 DGBERN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCO[C@H](CCF)C1 ZINC000600205385 401220041 /nfs/dbraw/zinc/22/00/41/401220041.db2.gz QWXFHSJOJYNDIV-LRFDDAOPSA-N 0 0 308.353 3.059 10 5 DGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@@H](C)O1 ZINC000090065105 401252036 /nfs/dbraw/zinc/25/20/36/401252036.db2.gz LAIXRRZWPYWLDP-CHWSQXEVSA-N 0 0 313.357 3.270 10 5 DGBERN C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000408467527 165959895 /nfs/dbraw/zinc/95/98/95/165959895.db2.gz LHPWSJXSUOIJGJ-XPKDYRNWSA-N 0 0 323.368 3.039 10 5 DGBERN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000174330486 164724647 /nfs/dbraw/zinc/72/46/47/164724647.db2.gz DAASWHHCIXUVOV-JTQLQIEISA-N 0 0 320.295 3.407 10 5 DGBERN Cc1ccc(CNc2cccc3c2OCC[C@H]3O)cc1[N+](=O)[O-] ZINC000184075213 164967863 /nfs/dbraw/zinc/96/78/63/164967863.db2.gz NMNFXRDIMFZVDD-MRXNPFEDSA-N 0 0 314.341 3.331 10 5 DGBERN CSCc1ccccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000186070400 165026543 /nfs/dbraw/zinc/02/65/43/165026543.db2.gz ZOSNBKALIHTIKI-UHFFFAOYSA-N 0 0 317.370 3.414 10 5 DGBERN Cc1nc(CC(C)C)oc1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000188396240 165121760 /nfs/dbraw/zinc/12/17/60/165121760.db2.gz CNUZRBRCALKFOM-UHFFFAOYSA-N 0 0 317.345 3.366 10 5 DGBERN O=C1Nc2ccccc2[C@@H]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000192804414 165305729 /nfs/dbraw/zinc/30/57/29/165305729.db2.gz UCLXVSALXNCURC-LBPRGKRZSA-N 0 0 315.304 3.272 10 5 DGBERN Cc1csc([C@@H]2CCCN(c3cc(N)ccc3[N+](=O)[O-])C2)n1 ZINC000193402275 165324179 /nfs/dbraw/zinc/32/41/79/165324179.db2.gz YQGHOGOHYAUJIZ-LLVKDONJSA-N 0 0 318.402 3.326 10 5 DGBERN Nc1ccc([N+](=O)[O-])c(NC2CCN(c3cccs3)CC2)c1 ZINC000193473910 165327492 /nfs/dbraw/zinc/32/74/92/165327492.db2.gz AACXMUNUKZQPTG-UHFFFAOYSA-N 0 0 318.402 3.319 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000194787139 165355141 /nfs/dbraw/zinc/35/51/41/165355141.db2.gz IWKUPXVIAWWSKE-OAHLLOKOSA-N 0 0 312.325 3.157 10 5 DGBERN O=[N+]([O-])c1cc(Br)ccc1NCC[C@@H]1CCOC1 ZINC000230104192 165392191 /nfs/dbraw/zinc/39/21/91/165392191.db2.gz YQNSCFGRSVOUBP-SECBINFHSA-N 0 0 315.167 3.196 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2cncc(Cl)c2)c1 ZINC000136304296 432152541 /nfs/dbraw/zinc/15/25/41/432152541.db2.gz ADRKJLTYUQYKRA-UHFFFAOYSA-N 0 0 308.677 3.222 10 5 DGBERN CSCCC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000181955225 432153680 /nfs/dbraw/zinc/15/36/80/432153680.db2.gz RFCBDFHIJLJCSN-UHFFFAOYSA-N 0 0 308.281 3.305 10 5 DGBERN CC(C)c1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000190674845 432181380 /nfs/dbraw/zinc/18/13/80/432181380.db2.gz OUUBJNHOYLXFPZ-NHYWBVRUSA-N 0 0 306.362 3.016 10 5 DGBERN CC[C@H]1CCCCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000172481795 432216814 /nfs/dbraw/zinc/21/68/14/432216814.db2.gz LEBGUTLTJSXXLW-AWEZNQCLSA-N 0 0 305.378 3.459 10 5 DGBERN COc1cc(NC[C@@H](O)c2cccc(C)c2)c([N+](=O)[O-])cc1F ZINC000132550178 196264625 /nfs/dbraw/zinc/26/46/25/196264625.db2.gz ZTDTVZCNNIPMCS-OAHLLOKOSA-N 0 0 320.320 3.196 10 5 DGBERN CC[C@H](C)C(=O)COc1c(Br)cccc1[N+](=O)[O-] ZINC000133761733 196334852 /nfs/dbraw/zinc/33/48/52/196334852.db2.gz FXCGJWQXSFXQCT-QMMMGPOBSA-N 0 0 316.151 3.351 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@](C)(O)CCC(C)C ZINC000162804704 228259589 /nfs/dbraw/zinc/25/95/89/228259589.db2.gz NSWBZSFPUMOZMO-INIZCTEOSA-N 0 0 323.393 3.212 10 5 DGBERN O=[N+]([O-])c1ccc(CO)cc1NCc1ccn(C2CCCC2)n1 ZINC000302014984 230035962 /nfs/dbraw/zinc/03/59/62/230035962.db2.gz BTPSXMMOWZLMDV-UHFFFAOYSA-N 0 0 316.361 3.011 10 5 DGBERN COc1ccc([C@H](C)Nc2cc(CO)ccc2[N+](=O)[O-])cc1F ZINC000302066551 230074621 /nfs/dbraw/zinc/07/46/21/230074621.db2.gz UNSZMOIWHSGBMK-JTQLQIEISA-N 0 0 320.320 3.408 10 5 DGBERN O=[N+]([O-])c1ccc(NCC[C@H]2CCCO2)c(OC(F)F)c1 ZINC000302173914 230140344 /nfs/dbraw/zinc/14/03/44/230140344.db2.gz VZVSMRDQUJBQGN-SNVBAGLBSA-N 0 0 302.277 3.177 10 5 DGBERN CO[C@H](C)CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000302674213 230344948 /nfs/dbraw/zinc/34/49/48/230344948.db2.gz PCCAXLSXZGYRLV-GFCCVEGCSA-N 0 0 314.341 3.273 10 5 DGBERN CC[C@@H](NC(=O)[C@H](C)CCCOC)c1cccc([N+](=O)[O-])c1 ZINC000182809346 432232323 /nfs/dbraw/zinc/23/23/23/432232323.db2.gz BDJGIDNBEGJPOK-IUODEOHRSA-N 0 0 308.378 3.225 10 5 DGBERN Cc1cccc2c1CC[C@H]2Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000535047085 424853958 /nfs/dbraw/zinc/85/39/58/424853958.db2.gz ZJBROEYVDMGABX-CYBMUJFWSA-N 0 0 309.329 3.045 10 5 DGBERN Cc1ccc(NC(=O)NCCc2ccsc2)cc1[N+](=O)[O-] ZINC000043147692 270943390 /nfs/dbraw/zinc/94/33/90/270943390.db2.gz LXNQRVGWAASFNU-UHFFFAOYSA-N 0 0 305.359 3.329 10 5 DGBERN O=[N+]([O-])c1cc(Cl)c(NC[C@@H]2[C@H]3COC[C@H]32)c(Cl)c1 ZINC000367734075 271071884 /nfs/dbraw/zinc/07/18/84/271071884.db2.gz LXYTYOGJRHIQTH-PSVAKVPMSA-N 0 0 303.145 3.206 10 5 DGBERN Cc1ccc([C@H]2CCCN2c2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000371339520 271428548 /nfs/dbraw/zinc/42/85/48/271428548.db2.gz RWLWRKIFOBBJHN-CQSZACIVSA-N 0 0 323.356 3.287 10 5 DGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccco1 ZINC000173047822 432255501 /nfs/dbraw/zinc/25/55/01/432255501.db2.gz MMCFPKGXXDPYGH-AWEZNQCLSA-N 0 0 300.314 3.094 10 5 DGBERN C[C@@H]1[C@H](C)SCCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000301281661 274435771 /nfs/dbraw/zinc/43/57/71/274435771.db2.gz KTDSHUPOZJWPHS-MNOVXSKESA-N 0 0 303.387 3.473 10 5 DGBERN CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000000192026 275476280 /nfs/dbraw/zinc/47/62/80/275476280.db2.gz LQSFJJZRJMZZFH-KRWDZBQOSA-N 0 0 309.325 3.292 10 5 DGBERN CC(=O)c1ccc(N2CC[C@]3(C)[C@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC000291913869 277111701 /nfs/dbraw/zinc/11/17/01/277111701.db2.gz LCBMJBSASSVRNP-UONOGXRCSA-N 0 0 310.300 3.279 10 5 DGBERN CO[C@@H](C)CCC(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000161712946 277620433 /nfs/dbraw/zinc/62/04/33/277620433.db2.gz GQOZNLSTJXLGDO-NSHDSACASA-N 0 0 317.345 3.205 10 5 DGBERN CO[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[C@H]1C ZINC000302549190 277666185 /nfs/dbraw/zinc/66/61/85/277666185.db2.gz JNNRQNZEQHMFHE-NOZJJQNGSA-N 0 0 318.295 3.475 10 5 DGBERN C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H](C)[C@H](C)O1 ZINC000408442734 278804611 /nfs/dbraw/zinc/80/46/11/278804611.db2.gz KYBYVGIEJKAVLG-WOPDTQHZSA-N 0 0 301.346 3.145 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(F)cc1 ZINC000103377625 279013145 /nfs/dbraw/zinc/01/31/45/279013145.db2.gz MKXRNSRFBIRFHW-SNVBAGLBSA-N 0 0 300.289 3.325 10 5 DGBERN C[C@H](C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C)c1cccnc1 ZINC000174030306 279213222 /nfs/dbraw/zinc/21/32/22/279213222.db2.gz VJFOLASLCUKGLV-RYUDHWBXSA-N 0 0 311.341 3.071 10 5 DGBERN CCS[C@H]1CCCCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000112038135 431247632 /nfs/dbraw/zinc/24/76/32/431247632.db2.gz GZTNIVVYVMEMGU-ZDUSSCGKSA-N 0 0 323.418 3.046 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116047353 431482425 /nfs/dbraw/zinc/48/24/25/431482425.db2.gz MMCRQBDFDHHBDP-CQSZACIVSA-N 0 0 300.314 3.474 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccoc1Cl ZINC000192272465 280023685 /nfs/dbraw/zinc/02/36/85/280023685.db2.gz VJMFMZZZERTNMV-QMMMGPOBSA-N 0 0 306.705 3.433 10 5 DGBERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000117585925 431568807 /nfs/dbraw/zinc/56/88/07/431568807.db2.gz BDGSQKZLJKRPDJ-ZBEGNZNMSA-N 0 0 312.325 3.122 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117578484 431569614 /nfs/dbraw/zinc/56/96/14/431569614.db2.gz KBHPWLLPVBRWDE-ZBEGNZNMSA-N 0 0 312.325 3.406 10 5 DGBERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000117578580 431569699 /nfs/dbraw/zinc/56/96/99/431569699.db2.gz YYODXTUOAJJTKD-VFZGTOFNSA-N 0 0 316.288 3.237 10 5 DGBERN CC[C@@H]1CCCCCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000155682640 280237476 /nfs/dbraw/zinc/23/74/76/280237476.db2.gz ROSXXKHJHCBDTE-CYBMUJFWSA-N 0 0 306.362 3.398 10 5 DGBERN Cc1c(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)cccc1[N+](=O)[O-] ZINC000117578641 280247006 /nfs/dbraw/zinc/24/70/06/280247006.db2.gz OUBKDKLFJDZNIL-HWPZZCPQSA-N 0 0 312.325 3.406 10 5 DGBERN O=[N+]([O-])c1ccc(OCc2nc(C3CCCC3)no2)c(F)c1 ZINC000119154389 431653743 /nfs/dbraw/zinc/65/37/43/431653743.db2.gz XYAHBOUFBDFNQK-UHFFFAOYSA-N 0 0 307.281 3.354 10 5 DGBERN CC(C)c1csc(NC(=O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000028930277 431713302 /nfs/dbraw/zinc/71/33/02/431713302.db2.gz DGWLGIQLFJZTSZ-UHFFFAOYSA-N 0 0 321.358 3.192 10 5 DGBERN C[C@@H](NCc1csc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000123476810 431866806 /nfs/dbraw/zinc/86/68/06/431866806.db2.gz ZQUFCFJDIFKUON-SNVBAGLBSA-N 0 0 320.370 3.278 10 5 DGBERN CC[C@H](NC(=O)CCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000090467371 431892111 /nfs/dbraw/zinc/89/21/11/431892111.db2.gz PXTTXCRQPWELFW-HNNXBMFYSA-N 0 0 302.330 3.388 10 5 DGBERN CC[C@H](NC(=O)NCc1cscn1)c1cccc([N+](=O)[O-])c1 ZINC000090553629 431892754 /nfs/dbraw/zinc/89/27/54/431892754.db2.gz FWIUUHOCLLAFIQ-ZDUSSCGKSA-N 0 0 320.374 3.002 10 5 DGBERN CC[C@H]1CN(c2cc(OC)c(F)cc2[N+](=O)[O-])CCS1 ZINC000127337839 281176541 /nfs/dbraw/zinc/17/65/41/281176541.db2.gz CBGGIJCQMHLKFP-VIFPVBQESA-N 0 0 300.355 3.074 10 5 DGBERN CO[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccccc1 ZINC000056469411 431987954 /nfs/dbraw/zinc/98/79/54/431987954.db2.gz IMQAYJILFMYFIV-CYBMUJFWSA-N 0 0 320.370 3.082 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H]2CCC(C)C)n1 ZINC000191596218 432280495 /nfs/dbraw/zinc/28/04/95/432280495.db2.gz VEZUPAHTKUJNOC-STQMWFEESA-N 0 0 322.409 3.146 10 5 DGBERN CC[C@@H](NC(=O)[C@@H]1CCO[C@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000248551696 432300756 /nfs/dbraw/zinc/30/07/56/432300756.db2.gz KQQGXAWPIUMRES-FVQBIDKESA-N 0 0 320.389 3.367 10 5 DGBERN Cc1cccc(NC(=O)COc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000102599926 431995683 /nfs/dbraw/zinc/99/56/83/431995683.db2.gz UANUZCMTTAXLBN-UHFFFAOYSA-N 0 0 304.277 3.060 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@]2(CC=CCC2)C1 ZINC000192596829 432390166 /nfs/dbraw/zinc/39/01/66/432390166.db2.gz CSTNKJAVNXNVQE-MRXNPFEDSA-N 0 0 304.394 3.446 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1C[C@H]1c1ccccc1 ZINC000192587564 432390462 /nfs/dbraw/zinc/39/04/62/432390462.db2.gz IHHPTVODOQPBJE-KBPBESRZSA-N 0 0 300.362 3.335 10 5 DGBERN CC[C@@H](NS(=O)(=O)C[C@@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000175111263 432399011 /nfs/dbraw/zinc/39/90/11/432399011.db2.gz HWZAOKCYSPTIGV-SMDDNHRTSA-N 0 0 314.407 3.011 10 5 DGBERN Cc1c(NC(=O)CCc2ccccc2O)cccc1[N+](=O)[O-] ZINC000192713199 432404170 /nfs/dbraw/zinc/40/41/70/432404170.db2.gz COPKUELJKSHISN-UHFFFAOYSA-N 0 0 300.314 3.180 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCS[C@H]2CCCC[C@H]21 ZINC000175452715 432437148 /nfs/dbraw/zinc/43/71/48/432437148.db2.gz HFMIKTVTGSUIKB-CABCVRRESA-N 0 0 320.414 3.403 10 5 DGBERN CC[C@H](NC(=O)Cc1cccc(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000175457857 432439167 /nfs/dbraw/zinc/43/91/67/432439167.db2.gz ALPJNWSGRMMQTP-INIZCTEOSA-N 0 0 314.341 3.110 10 5 DGBERN CSc1ccc([N+](=O)[O-])c(C(=O)NCCc2ccsc2)c1 ZINC000193251976 432459753 /nfs/dbraw/zinc/45/97/53/432459753.db2.gz HWVAJRGVGSXARW-UHFFFAOYSA-N 0 0 322.411 3.351 10 5 DGBERN O=C(C/C=C/c1cccc(F)c1)NCc1ccccc1[N+](=O)[O-] ZINC000176027270 432486938 /nfs/dbraw/zinc/48/69/38/432486938.db2.gz YUSQIRHUTDSBLY-GQCTYLIASA-N 0 0 314.316 3.454 10 5 DGBERN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000193637825 432487241 /nfs/dbraw/zinc/48/72/41/432487241.db2.gz KKCCSAFLROMCIQ-NWDGAFQWSA-N 0 0 317.345 3.174 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC2(CC2)C1 ZINC000185339362 432493299 /nfs/dbraw/zinc/49/32/99/432493299.db2.gz HTYJANBGLHSRCB-ACCUITESSA-N 0 0 300.358 3.401 10 5 DGBERN O=C1CCc2cc([N+](=O)[O-])c(NCCc3ccsc3)cc2N1 ZINC000193853504 432503723 /nfs/dbraw/zinc/50/37/23/432503723.db2.gz RHBHVVAGLVDVFJ-UHFFFAOYSA-N 0 0 317.370 3.196 10 5 DGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCOC[C@H]1C ZINC000194132543 432526114 /nfs/dbraw/zinc/52/61/14/432526114.db2.gz TZMOEMDPDUNCFX-CZUORRHYSA-N 0 0 320.389 3.004 10 5 DGBERN CC(C)[C@H]1C[C@@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000185763739 432530858 /nfs/dbraw/zinc/53/08/58/432530858.db2.gz PANOBDYJUWPXAQ-CVEARBPZSA-N 0 0 302.374 3.378 10 5 DGBERN CC(C)[C@H]1C[C@@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000185780032 432531574 /nfs/dbraw/zinc/53/15/74/432531574.db2.gz RHSGHMROWWAFKJ-CABCVRRESA-N 0 0 302.374 3.378 10 5 DGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc2cc[nH]c2c1 ZINC000194301409 432540030 /nfs/dbraw/zinc/54/00/30/432540030.db2.gz VGUQZLLRJPEYLA-UHFFFAOYSA-N 0 0 324.340 3.440 10 5 DGBERN Nc1c(C(=O)N2CCC[C@@]3(CC=CCC3)C2)cccc1[N+](=O)[O-] ZINC000176703015 432544464 /nfs/dbraw/zinc/54/44/64/432544464.db2.gz GRKDJABIYLYYDE-KRWDZBQOSA-N 0 0 315.373 3.140 10 5 DGBERN CC(C)c1csc(NC(=O)NCc2cccc([N+](=O)[O-])c2)n1 ZINC000195257138 432614578 /nfs/dbraw/zinc/61/45/78/432614578.db2.gz YHRBMIVMWGUZPV-UHFFFAOYSA-N 0 0 320.374 3.496 10 5 DGBERN Cc1cc(N2CC[C@@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000176955476 432569763 /nfs/dbraw/zinc/56/97/63/432569763.db2.gz CDJSHRBMXOJQRM-GFCCVEGCSA-N 0 0 306.362 3.071 10 5 DGBERN C[C@@H](N[C@@H](C)c1nnc2ccccn21)c1cccc([N+](=O)[O-])c1 ZINC000177054386 432580357 /nfs/dbraw/zinc/58/03/57/432580357.db2.gz SSJORMJBRZAGMM-NEPJUHHUSA-N 0 0 311.345 3.049 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc2ccccc2s1 ZINC000195078851 432600101 /nfs/dbraw/zinc/60/01/01/432600101.db2.gz JIKBTBZYMAEQRB-UHFFFAOYSA-N 0 0 314.326 3.160 10 5 DGBERN O=C(NC[C@@H]1Cc2ccccc21)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195496477 432624942 /nfs/dbraw/zinc/62/49/42/432624942.db2.gz RWFWLMNZAALDQS-LBPRGKRZSA-N 0 0 321.336 3.146 10 5 DGBERN CCc1oc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1C ZINC000177572133 432638091 /nfs/dbraw/zinc/63/80/91/432638091.db2.gz MBIBQGMLOMDAPV-UHFFFAOYSA-N 0 0 300.314 3.262 10 5 DGBERN CC[C@@H](NC(=O)c1ccc(COC)o1)c1cccc([N+](=O)[O-])c1 ZINC000177803065 432663348 /nfs/dbraw/zinc/66/33/48/432663348.db2.gz MAYXVXIXLJAWAL-CQSZACIVSA-N 0 0 318.329 3.215 10 5 DGBERN Cc1ccc([C@@H]2CN(Cc3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000159025892 432666891 /nfs/dbraw/zinc/66/68/91/432666891.db2.gz DFUFYOJTSVBEOH-INIZCTEOSA-N 0 0 302.330 3.070 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(N[C@H](C)COCc2ccccc2)n1 ZINC000178241306 432710265 /nfs/dbraw/zinc/71/02/65/432710265.db2.gz HITNWLOOGMJKAN-CYBMUJFWSA-N 0 0 301.346 3.315 10 5 DGBERN COc1cc(N[C@H]2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000160420081 432719041 /nfs/dbraw/zinc/71/90/41/432719041.db2.gz JGLGDWHGFQAGJF-IINYFYTJSA-N 0 0 310.325 3.112 10 5 DGBERN Cc1cc([N+](=O)[O-])cnc1NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000265239991 432679442 /nfs/dbraw/zinc/67/94/42/432679442.db2.gz TVIFVBGUMZKKCV-UHFFFAOYSA-N 0 0 318.352 3.111 10 5 DGBERN CO[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[C@H]1C ZINC000276073441 432770760 /nfs/dbraw/zinc/77/07/60/432770760.db2.gz 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289281194 /nfs/dbraw/zinc/28/11/94/289281194.db2.gz IJRWHDDKMZALRT-LBPRGKRZSA-N 0 0 311.341 3.073 10 5 DGBERN C[C@H]1CCOCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000374992536 433329599 /nfs/dbraw/zinc/32/95/99/433329599.db2.gz ZJQKICGHOVXAEZ-JTQLQIEISA-N 0 0 320.370 3.061 10 5 DGBERN C[C@H]1CCOCCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000375006438 433331408 /nfs/dbraw/zinc/33/14/08/433331408.db2.gz WZKJHRUZKMYQON-LBPRGKRZSA-N 0 0 320.389 3.143 10 5 DGBERN CC(C)OC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000301226088 433459505 /nfs/dbraw/zinc/45/95/05/433459505.db2.gz GBHSKEVBAJNDDO-UHFFFAOYSA-N 0 0 307.350 3.016 10 5 DGBERN O=[N+]([O-])c1ccc(NC[C@H](O)C2CCCC2)c2ccncc21 ZINC000301303167 433496708 /nfs/dbraw/zinc/49/67/08/433496708.db2.gz WLCKCUHJMNWGPD-INIZCTEOSA-N 0 0 301.346 3.106 10 5 DGBERN CCc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1F ZINC000162070117 292846524 /nfs/dbraw/zinc/84/65/24/292846524.db2.gz QXTIXZPVCBSBTM-UHFFFAOYSA-N 0 0 302.305 3.478 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000301659336 433661222 /nfs/dbraw/zinc/66/12/22/433661222.db2.gz MDCYTVVTCQUQEJ-SUHUHFCYSA-N 0 0 310.325 3.112 10 5 DGBERN CN1Cc2ccccc2[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000374341804 293387128 /nfs/dbraw/zinc/38/71/28/293387128.db2.gz QLLKLNYRFXWXGY-CYBMUJFWSA-N 0 0 318.764 3.242 10 5 DGBERN CO[C@@H]1CN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC[C@H]1C ZINC000302517080 433823042 /nfs/dbraw/zinc/82/30/42/433823042.db2.gz ASVLVLZMITWZKU-BDJLRTHQSA-N 0 0 315.373 3.313 10 5 DGBERN COC(=O)c1ccc(CCNc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000302824395 433872724 /nfs/dbraw/zinc/87/27/24/433872724.db2.gz WVAYPKBUXGPHHT-UHFFFAOYSA-N 0 0 318.304 3.175 10 5 DGBERN Cc1ccc2[nH]c(CNc3c4c(ccc3[N+](=O)[O-])NCC4)nc2c1 ZINC000436389073 433952823 /nfs/dbraw/zinc/95/28/23/433952823.db2.gz OPPRBXVWOWRWSL-UHFFFAOYSA-N 0 0 323.356 3.360 10 5 DGBERN O=C(C[C@H]1CCCN1c1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC000450430399 434175823 /nfs/dbraw/zinc/17/58/23/434175823.db2.gz RMXOWZZCJVOXMV-CQSZACIVSA-N 0 0 311.341 3.232 10 5 DGBERN COC(=O)[C@@H](C)Cc1ccc(Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC000450442871 434187031 /nfs/dbraw/zinc/18/70/31/434187031.db2.gz ZFFSMLVDOBGKDR-NSHDSACASA-N 0 0 315.329 3.085 10 5 DGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000286444039 434269407 /nfs/dbraw/zinc/26/94/07/434269407.db2.gz IZWAWEOHXVHROZ-GOEBONIOSA-N 0 0 320.389 3.031 10 5 DGBERN C[C@]12CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@H]1C2(F)F ZINC000520934314 294850439 /nfs/dbraw/zinc/85/04/39/294850439.db2.gz PWWFEPOHRHIAQJ-YPMHNXCESA-N 0 0 311.288 3.104 10 5 DGBERN CC1(C)CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000408104909 434543589 /nfs/dbraw/zinc/54/35/89/434543589.db2.gz GASWFPNVXVRCCX-SNVBAGLBSA-N 0 0 305.161 3.109 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC3(CCOCC3)[C@H]2C)n1 ZINC000408198174 434550448 /nfs/dbraw/zinc/55/04/48/434550448.db2.gz LUXWVZDNWQFFMB-CYBMUJFWSA-N 0 0 305.378 3.002 10 5 DGBERN CC(C)C(C)(C)CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000527327710 295091882 /nfs/dbraw/zinc/09/18/82/295091882.db2.gz QTTLYUMSQQCPDK-UHFFFAOYSA-N 0 0 319.405 3.345 10 5 DGBERN COc1cc(C(=O)NCC2CCCCCC2)c([N+](=O)[O-])cc1F ZINC000452790003 434716233 /nfs/dbraw/zinc/71/62/33/434716233.db2.gz HNULCXNZUXBNCA-UHFFFAOYSA-N 0 0 324.352 3.443 10 5 DGBERN CNc1c(C(=O)N(C)C[C@@H]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000360925974 434733954 /nfs/dbraw/zinc/73/39/54/434733954.db2.gz RTRGBWSFXPYTAF-GFCCVEGCSA-N 0 0 303.362 3.065 10 5 DGBERN COC(=O)c1cc(C)nc(N(C)[C@@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000552976079 434875149 /nfs/dbraw/zinc/87/51/49/434875149.db2.gz FXGRZKXZXRRENE-GXFFZTMASA-N 0 0 321.377 3.100 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCOCC1CCC1 ZINC000555233894 434966854 /nfs/dbraw/zinc/96/68/54/434966854.db2.gz TXFMFYZGTORYKZ-UHFFFAOYSA-N 0 0 320.389 3.067 10 5 DGBERN COC(=O)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1C(F)(F)F ZINC000575379324 435032091 /nfs/dbraw/zinc/03/20/91/435032091.db2.gz FZSMDMQQUHKNBI-UHFFFAOYSA-N 0 0 317.141 3.419 10 5 DGBERN CCOc1cc([N+](=O)[O-])c(OC(F)F)cc1OC(F)(F)F ZINC000575655916 435039836 /nfs/dbraw/zinc/03/98/36/435039836.db2.gz BZGGRSJNSPOYPX-UHFFFAOYSA-N 0 0 317.166 3.494 10 5 DGBERN COc1cc(OC(F)(F)F)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575668095 435041686 /nfs/dbraw/zinc/04/16/86/435041686.db2.gz QVABHDHPETZQLS-UHFFFAOYSA-N 0 0 303.139 3.103 10 5 DGBERN COc1cc(OC(F)F)c(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575668231 435042250 /nfs/dbraw/zinc/04/22/50/435042250.db2.gz SLVHVSUTPRQGLV-UHFFFAOYSA-N 0 0 303.139 3.103 10 5 DGBERN CC(=O)c1c(Br)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575682995 435044566 /nfs/dbraw/zinc/04/45/66/435044566.db2.gz JOYRPAFBTWCCFZ-UHFFFAOYSA-N 0 0 310.050 3.161 10 5 DGBERN CSc1c(F)cc([N+](=O)[O-])cc1I ZINC000575707062 435049168 /nfs/dbraw/zinc/04/91/68/435049168.db2.gz IRCXZTZEXZQQSO-UHFFFAOYSA-N 0 0 313.091 3.060 10 5 DGBERN CSc1cc(I)c([N+](=O)[O-])cc1F ZINC000575707218 435049381 /nfs/dbraw/zinc/04/93/81/435049381.db2.gz PUWWSJXURQLVQM-UHFFFAOYSA-N 0 0 313.091 3.060 10 5 DGBERN CC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1O ZINC000579624526 435168432 /nfs/dbraw/zinc/16/84/32/435168432.db2.gz JHAQOMDDKWEGAW-UHFFFAOYSA-N 0 0 314.297 3.064 10 5 DGBERN OCCSCCCNc1nc2ccccc2c2ccccc21 ZINC000584603175 435291171 /nfs/dbraw/zinc/29/11/71/435291171.db2.gz QKXFCYXXUNWNKG-UHFFFAOYSA-N 0 0 312.438 3.916 10 5 DGBERN Cc1cc(Nc2ccc3ccc(=O)n(C)c3c2)ccc1[N+](=O)[O-] ZINC000486008204 435586561 /nfs/dbraw/zinc/58/65/61/435586561.db2.gz PKNBCGNJIQSHOF-UHFFFAOYSA-N 0 0 309.325 3.499 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CC3(CCC3)[C@H]2[C@H]2CCCO2)n1 ZINC000408226288 301202618 /nfs/dbraw/zinc/20/26/18/301202618.db2.gz MWWPNCAPKLTJCC-UKRRQHHQSA-N 0 0 317.389 3.145 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(C(=O)NCCCc2cccc(F)c2)c1 ZINC000173007686 312755020 /nfs/dbraw/zinc/75/50/20/312755020.db2.gz BVONDNKQPGZUSC-UHFFFAOYSA-N 0 0 316.332 3.405 10 5 DGBERN COc1ccc([N+](=O)[O-])c(N2CC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000530482270 313374520 /nfs/dbraw/zinc/37/45/20/313374520.db2.gz KPLOERZQTVLQSC-WCBMZHEXSA-N 0 0 304.268 3.381 10 5 DGBERN Cc1nc(N2CCC[C@H](C(F)(F)F)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000547828140 314400184 /nfs/dbraw/zinc/40/01/84/314400184.db2.gz JNRJCGLPFPJBRK-UWVGGRQHSA-N 0 0 303.284 3.465 10 5 DGBERN COC(=O)c1cc(C)nc(N2CCCC[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000557601492 314811934 /nfs/dbraw/zinc/81/19/34/314811934.db2.gz IEDOPKMUXAJQCD-ZDUSSCGKSA-N 0 0 321.377 3.100 10 5 DGBERN CC(C)OCCCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000181972006 323277720 /nfs/dbraw/zinc/27/77/20/323277720.db2.gz MGPVMEAFLOCPSO-LBPRGKRZSA-N 0 0 306.362 3.078 10 5 DGBERN C[C@H](C(=O)N1C[C@H](C)CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000184335060 323362157 /nfs/dbraw/zinc/36/21/57/323362157.db2.gz GYJQVBQNIUKKDS-WOPDTQHZSA-N 0 0 308.353 3.484 10 5 DGBERN CCc1cnccc1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000184649904 323370484 /nfs/dbraw/zinc/37/04/84/323370484.db2.gz BABPYVPDFRGRDO-UHFFFAOYSA-N 0 0 313.357 3.217 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1OC(F)F ZINC000195524277 323491427 /nfs/dbraw/zinc/49/14/27/323491427.db2.gz UFORSZPFPILSSV-UHFFFAOYSA-N 0 0 323.255 3.152 10 5 DGBERN CC(=O)c1ccc(OCc2c(C)nsc2C)c([N+](=O)[O-])c1 ZINC000579612334 323894171 /nfs/dbraw/zinc/89/41/71/323894171.db2.gz GFHUAAQSYXSMSE-UHFFFAOYSA-N 0 0 306.343 3.450 10 5 DGBERN O=C(OC(C(F)(F)F)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000584613796 337372595 /nfs/dbraw/zinc/37/25/95/337372595.db2.gz HMUCGBBGCMSPQN-UHFFFAOYSA-N 0 0 317.141 3.245 10 5 DGBERN CCOC(=O)COc1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000584591442 337373422 /nfs/dbraw/zinc/37/34/22/337373422.db2.gz APDIBUNOQWAZID-UHFFFAOYSA-N 0 0 316.313 3.280 10 5 DGBERN CC(=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)cc1C(F)(F)F ZINC000536960024 337868675 /nfs/dbraw/zinc/86/86/75/337868675.db2.gz NQULMRSKTSHCGR-UHFFFAOYSA-N 0 0 311.219 3.273 10 5 DGBERN CCOC(=O)c1cn2cc(-c3cccc([N+](=O)[O-])c3)sc2n1 ZINC000228971310 340528090 /nfs/dbraw/zinc/52/80/90/340528090.db2.gz HLJMNEPFYIEMFM-UHFFFAOYSA-N 0 0 317.326 3.148 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194841562 500855575 /nfs/dbraw/zinc/85/55/75/500855575.db2.gz JXGUGHYISLXMFK-UHFFFAOYSA-N 0 0 311.297 3.337 10 5 DGBERN C[C@H](Nc1cc(CO)ccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000302073905 534015853 /nfs/dbraw/zinc/01/58/53/534015853.db2.gz WWFYNMSGPWYCED-FZMZJTMJSA-N 0 0 314.341 3.064 10 5 DGBERN COc1ccc(NC(=O)N2CCCC23CCC3)cc1[N+](=O)[O-] ZINC000444938175 534103575 /nfs/dbraw/zinc/10/35/75/534103575.db2.gz WDOROGZSESMFEX-UHFFFAOYSA-N 0 0 305.334 3.154 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(OC)cc2)c1 ZINC000302059632 534245996 /nfs/dbraw/zinc/24/59/96/534245996.db2.gz BFJHVENWOWNHKI-UHFFFAOYSA-N 0 0 316.313 3.002 10 5 DGBERN O=C(NC[C@H](CO)C1CC1)c1cc2ccccc2c2cccnc12 ZINC000359778088 534617934 /nfs/dbraw/zinc/61/79/34/534617934.db2.gz MFKAVXAEGDXOAZ-OAHLLOKOSA-N 0 0 320.392 3.136 10 5 DGBERN CC(C)n1nnnc1CS[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000176916632 528702332 /nfs/dbraw/zinc/70/23/32/528702332.db2.gz SRFSXMIMNYXLPL-SNVBAGLBSA-N 0 0 307.379 3.157 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C(C)C)c2)n1 ZINC000191466250 529154728 /nfs/dbraw/zinc/15/47/28/529154728.db2.gz ZXDPMVZSBGKORI-UHFFFAOYSA-N 0 0 302.334 3.187 10 5 DGBERN CC1(C)CCCC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000468235997 535293967 /nfs/dbraw/zinc/29/39/67/535293967.db2.gz UIQGTEJQGQZISH-HNNXBMFYSA-N 0 0 319.405 3.339 10 5 DGBERN Cn1cc([N+](=O)[O-])cc1C(=O)NC(C1CCCC1)C1CCCC1 ZINC000735448856 574702544 /nfs/dbraw/zinc/70/25/44/574702544.db2.gz BHHOPXFBZRRJNZ-UHFFFAOYSA-N 0 0 319.405 3.412 10 5 DGBERN O=C(OCCOc1ccc(F)cc1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000728154432 576164361 /nfs/dbraw/zinc/16/43/61/576164361.db2.gz JQOMZVCZNWMXCL-UHFFFAOYSA-N 0 0 323.251 3.109 10 5 DGBERN O=[N+]([O-])c1ccc(OC[C@H](O)c2ccccc2Cl)c(F)c1 ZINC000153909746 617979088 /nfs/dbraw/zinc/97/90/88/617979088.db2.gz UIKLGDAXKLDEPS-ZDUSSCGKSA-N 0 0 311.696 3.500 10 5 DGBERN C[C@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000151490923 620450902 /nfs/dbraw/zinc/45/09/02/620450902.db2.gz KNTSPCIUJFHWDE-VIFPVBQESA-N 0 0 313.737 3.220 10 5 DGBERN O=[N+]([O-])c1ccc2c(c1)CCN2Cc1nc(C2CCCC2)no1 ZINC000151545935 620458436 /nfs/dbraw/zinc/45/84/36/620458436.db2.gz YHWUWEKERPUVSC-UHFFFAOYSA-N 0 0 314.345 3.198 10 5 DGBERN Cc1cccc(CCCOC(=O)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000151886651 620479253 /nfs/dbraw/zinc/47/92/53/620479253.db2.gz VYCXPLMPKVKYEK-UHFFFAOYSA-N 0 0 314.341 3.017 10 5 DGBERN Cc1ccc(OC(=O)C[C@@H]2CSCCS2)c([N+](=O)[O-])c1 ZINC000152435235 620507430 /nfs/dbraw/zinc/50/74/30/620507430.db2.gz QCIVFHLRIAMFBC-SNVBAGLBSA-N 0 0 313.400 3.047 10 5 DGBERN O=[N+]([O-])c1cc(F)ccc1OC[C@@H](O)c1cc(F)ccc1F ZINC000153894508 620621473 /nfs/dbraw/zinc/62/14/73/620621473.db2.gz FFUDBLCDDKERBR-CYBMUJFWSA-N 0 0 313.231 3.125 10 5 DGBERN CC(C)(C)SCCOC(=O)COc1ccccc1[N+](=O)[O-] ZINC000112763502 620851748 /nfs/dbraw/zinc/85/17/48/620851748.db2.gz XRMDBOBGGGTUQN-UHFFFAOYSA-N 0 0 313.375 3.049 10 5 DGBERN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1ccoc1 ZINC000119650853 621711705 /nfs/dbraw/zinc/71/17/05/621711705.db2.gz PTFLKEDGCPSTJQ-UHFFFAOYSA-N 0 0 311.091 3.203 10 5 DGBERN O=[N+]([O-])c1ccc(CCNc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000122676169 622378323 /nfs/dbraw/zinc/37/83/23/622378323.db2.gz LTRYZAJXUJZVAT-UHFFFAOYSA-N 0 0 322.708 3.206 10 5 DGBERN CC[C@@H](NC(=O)Nc1ccc(F)nc1)c1cccc([N+](=O)[O-])c1 ZINC000125279720 623411862 /nfs/dbraw/zinc/41/18/62/623411862.db2.gz UFNCIGJVWHMNMG-CYBMUJFWSA-N 0 0 318.308 3.402 10 5 DGBERN CCc1ccc(OC(=O)CCc2ccncc2)c([N+](=O)[O-])c1 ZINC000127592645 624452972 /nfs/dbraw/zinc/45/29/72/624452972.db2.gz DXFPVWBAAIBCDP-UHFFFAOYSA-N 0 0 300.314 3.090 10 5 DGBERN CC(=O)O[C@@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] ZINC000127665024 624507468 /nfs/dbraw/zinc/50/74/68/624507468.db2.gz DKTXOJOWHCAHEE-NSHDSACASA-N 0 0 316.151 3.109 10 5 DGBERN C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000132227978 626708466 /nfs/dbraw/zinc/70/84/66/626708466.db2.gz KKUYXCQLDXORRA-SNVBAGLBSA-N 0 0 311.297 3.389 10 5 DGBERN CCc1nc(COC(=O)c2ccc([N+](=O)[O-])cc2C)cs1 ZINC000101707035 629778230 /nfs/dbraw/zinc/77/82/30/629778230.db2.gz HTTSBTYWUMBJMH-UHFFFAOYSA-N 0 0 306.343 3.279 10 5 DGBERN Cc1cccc(CCCOC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000073001540 660235086 /nfs/dbraw/zinc/23/50/86/660235086.db2.gz ZAOAJDHQVMVKAP-UHFFFAOYSA-N 0 0 314.341 3.396 10 5 DGBERN CCOc1cccnc1C(=O)Oc1ccc(CC)cc1[N+](=O)[O-] ZINC000091696575 660455633 /nfs/dbraw/zinc/45/56/33/660455633.db2.gz GDYIDUFSHORYPB-UHFFFAOYSA-N 0 0 316.313 3.170 10 5 DGBERN O=C(NCCC1(F)CCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702499580 660724987 /nfs/dbraw/zinc/72/49/87/660724987.db2.gz UBPBQJIGXUUVGV-UHFFFAOYSA-N 0 0 300.717 3.260 10 5 DGBERN O=C(NCC[C@H]1CCSC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000704846512 660822605 /nfs/dbraw/zinc/82/26/05/660822605.db2.gz BQOPGVQRMYVHFF-VIFPVBQESA-N 0 0 314.794 3.121 10 5 DGBERN C/C(=C/c1ccc(F)cc1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000254926821 655544852 /nfs/dbraw/zinc/54/48/52/655544852.db2.gz ZNTHMECOGMOIBJ-XFXZXTDPSA-N 0 0 314.316 3.454 10 5 DGBERN O=C(/C=C\c1ccnc(Cl)c1)OCc1ccc([N+](=O)[O-])cc1 ZINC000255217156 655655442 /nfs/dbraw/zinc/65/54/42/655655442.db2.gz JONMBTCEZCWGJY-UTCJRWHESA-N 0 0 318.716 3.400 10 5 DGBERN CC[C@@H](NC(=O)[C@@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000177797984 655655966 /nfs/dbraw/zinc/65/59/66/655655966.db2.gz HANJRGFBOLGKCM-WDEREUQCSA-N 0 0 317.172 3.356 10 5 DGBERN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)c1cc(F)ccc1F ZINC000051323007 655728041 /nfs/dbraw/zinc/72/80/41/655728041.db2.gz PFAZZHZDPRHKAL-MRXNPFEDSA-N 0 0 322.311 3.038 10 5 DGBERN CC(=O)c1cc(C(=O)O[C@H](C)c2ccc([N+](=O)[O-])cc2)n(C)c1 ZINC000098161106 655745983 /nfs/dbraw/zinc/74/59/83/655745983.db2.gz KOMQQMJPFUTWJM-LLVKDONJSA-N 0 0 316.313 3.054 10 5 DGBERN O=[N+]([O-])c1c(F)cccc1NC1CCN(CC(F)(F)F)CC1 ZINC000065200152 655747128 /nfs/dbraw/zinc/74/71/28/655747128.db2.gz RCWVFTQGKIHKPF-UHFFFAOYSA-N 0 0 321.274 3.173 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])o1 ZINC000176708271 655787340 /nfs/dbraw/zinc/78/73/40/655787340.db2.gz QOKAOMVEXFOZMS-JTQLQIEISA-N 0 0 306.293 3.435 10 5 DGBERN COc1ccnc(C(=O)O[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000176944025 655880184 /nfs/dbraw/zinc/88/01/84/655880184.db2.gz JJXVOUYOJZBSQM-LLVKDONJSA-N 0 0 316.313 3.225 10 5 DGBERN Cc1ccc(N2CC[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000176957059 655884639 /nfs/dbraw/zinc/88/46/39/655884639.db2.gz OLXISAJPFKPGSA-LBPRGKRZSA-N 0 0 306.362 3.071 10 5 DGBERN O=[N+]([O-])c1ccc(F)cc1CN1CCO[C@@H](c2ccsc2)C1 ZINC000176966269 655885134 /nfs/dbraw/zinc/88/51/34/655885134.db2.gz STSGVWHVPUZDTI-OAHLLOKOSA-N 0 0 322.361 3.369 10 5 DGBERN CCS[C@H](C(=O)Oc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000066270640 655941803 /nfs/dbraw/zinc/94/18/03/655941803.db2.gz PHJRITOIBBPNJG-ZDUSSCGKSA-N 0 0 313.375 3.287 10 5 DGBERN CCS[C@@H](C(=O)Oc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000066273275 655941909 /nfs/dbraw/zinc/94/19/09/655941909.db2.gz LDSSEMGOLARWLI-CYBMUJFWSA-N 0 0 313.375 3.287 10 5 DGBERN O=C(NCC[C@H]1CCCS1)c1cc([N+](=O)[O-])ccc1Cl ZINC000715972697 661217551 /nfs/dbraw/zinc/21/75/51/661217551.db2.gz JFLABLLIBLWURB-SNVBAGLBSA-N 0 0 314.794 3.264 10 5 DGBERN CN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)c1cc(F)ccc1F ZINC000051323005 656139278 /nfs/dbraw/zinc/13/92/78/656139278.db2.gz PFAZZHZDPRHKAL-INIZCTEOSA-N 0 0 322.311 3.038 10 5 DGBERN C[C@H](NCc1csc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000037562849 661265709 /nfs/dbraw/zinc/26/57/09/661265709.db2.gz ZVZJVMKKIKETHF-VIFPVBQESA-N 0 0 306.343 3.236 10 5 DGBERN Cc1cccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2F)c1 ZINC000126959241 657428112 /nfs/dbraw/zinc/42/81/12/657428112.db2.gz PALNKPBJNLCQMA-UHFFFAOYSA-N 0 0 303.293 3.093 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(N2CCn3c(C(C)C)nnc3[C@@H]2C)c1 ZINC000438888851 658890417 /nfs/dbraw/zinc/89/04/17/658890417.db2.gz XIHKJDFSPNLPCJ-LBPRGKRZSA-N 0 0 315.377 3.199 10 5 DGBERN CCc1ccc(OC(=O)CSCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000156775975 658942824 /nfs/dbraw/zinc/94/28/24/658942824.db2.gz CNKZVNMKUWRPFM-UHFFFAOYSA-N 0 0 323.292 3.358 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000168463059 659144196 /nfs/dbraw/zinc/14/41/96/659144196.db2.gz UIJFDWIHWIRMQV-GFCCVEGCSA-N 0 0 321.377 3.325 10 5 DGBERN Cc1nn(CCC(=O)O[C@@H](C)c2cccs2)c(C)c1[N+](=O)[O-] ZINC000171147467 659264004 /nfs/dbraw/zinc/26/40/04/659264004.db2.gz QYZOHZQJFMLQAQ-NSHDSACASA-N 0 0 323.374 3.164 10 5 DGBERN C[C@@H](CCNc1ccc([N+](=O)[O-])cc1C(F)F)[S@@](C)=O ZINC000229825605 659284929 /nfs/dbraw/zinc/28/49/29/659284929.db2.gz YFHGRRWBCNNEFR-FFVOIRBGSA-N 0 0 306.334 3.101 10 5 DGBERN C[C@@H]1CC[C@H](C)N(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000173783598 659400486 /nfs/dbraw/zinc/40/04/86/659400486.db2.gz OQJODMMVAKEBAY-MNOVXSKESA-N 0 0 303.362 3.104 10 5 DGBERN C[C@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000175297692 659918623 /nfs/dbraw/zinc/91/86/23/659918623.db2.gz GHWHRKRPJQTYKF-WCQYABFASA-N 0 0 321.373 3.474 10 5 DGBERN O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000069286736 659985541 /nfs/dbraw/zinc/98/55/41/659985541.db2.gz IRNCIPPCMOATGU-TZMCWYRMSA-N 0 0 300.289 3.020 10 5 DGBERN CCC[C@H](CC)OC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000157264807 661866568 /nfs/dbraw/zinc/86/65/68/661866568.db2.gz YDGMRHFMHLKYEF-NSHDSACASA-N 0 0 311.334 3.104 10 5 DGBERN COc1ccc(C(=O)OCCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000157801071 661868850 /nfs/dbraw/zinc/86/88/50/661868850.db2.gz ODCKIWAWLCWGIY-UHFFFAOYSA-N 0 0 307.224 3.103 10 5 DGBERN Cc1cc(C)cc([C@@H](O)CSc2ccc([N+](=O)[O-])cn2)c1 ZINC000159174286 661883247 /nfs/dbraw/zinc/88/32/47/661883247.db2.gz DBKOOKLSLXPCPW-AWEZNQCLSA-N 0 0 304.371 3.432 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1cc2ccccc2o1 ZINC000192857787 662113441 /nfs/dbraw/zinc/11/34/41/662113441.db2.gz KOXYYCGSAVHUGZ-UHFFFAOYSA-N 0 0 312.281 3.401 10 5 DGBERN CC(C)c1cc(C(=O)O[C@@H](C)c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000081853159 662173846 /nfs/dbraw/zinc/17/38/46/662173846.db2.gz PUXRBODAGWVIEH-NSHDSACASA-N 0 0 317.345 3.370 10 5 DGBERN O=C(COCc1ccccc1)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000195263477 662182097 /nfs/dbraw/zinc/18/20/97/662182097.db2.gz JBBKHMMIMYNQOA-UHFFFAOYSA-N 0 0 321.716 3.370 10 5 DGBERN CCC(=O)c1ccc(OC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000195524149 662190919 /nfs/dbraw/zinc/19/09/19/662190919.db2.gz JXXDJGPOWLFHGM-UHFFFAOYSA-N 0 0 314.297 3.110 10 5 DGBERN Cc1ccc([C@@H](C)OC(=O)[C@H](C)OCC2CC2)cc1[N+](=O)[O-] ZINC000084808316 662203761 /nfs/dbraw/zinc/20/37/61/662203761.db2.gz AFLDTQFVJKBTFJ-NEPJUHHUSA-N 0 0 307.346 3.323 10 5 DGBERN Cc1nn(CN(C)Cc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000016352798 662238411 /nfs/dbraw/zinc/23/84/11/662238411.db2.gz AKZVMLCMQLENLZ-UHFFFAOYSA-N 0 0 308.769 3.151 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1OC(=O)c1cccc2ncccc21 ZINC000247945982 662330319 /nfs/dbraw/zinc/33/03/19/662330319.db2.gz ZLHGSCVQFNUDSH-UHFFFAOYSA-N 0 0 324.292 3.371 10 5 DGBERN Cc1ccc(NC(=O)c2cc(Cl)ccc2N)cc1[N+](=O)[O-] ZINC000050695725 1194611028 /nfs/dbraw/zinc/61/10/28/1194611028.db2.gz KLFASUVPQKYFON-UHFFFAOYSA-N 0 0 305.721 3.391 10 5 DGBERN C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])c1cnccn1 ZINC000070479028 1195874050 /nfs/dbraw/zinc/87/40/50/1195874050.db2.gz HEOUIONBBIIYQY-QMMMGPOBSA-N 0 0 323.150 3.320 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(Cl)c1N ZINC000071698925 1195981907 /nfs/dbraw/zinc/98/19/07/1195981907.db2.gz UOHHXIXDZAAQDS-UHFFFAOYSA-N 0 0 305.721 3.391 10 5 DGBERN Cc1c(CS(=O)(=O)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000094626895 1198799829 /nfs/dbraw/zinc/79/98/29/1198799829.db2.gz YXPHJZUJSLGISY-UHFFFAOYSA-N 0 0 309.318 3.016 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(NCC=C(Cl)Cl)c1 ZINC000407075261 1199633573 /nfs/dbraw/zinc/63/35/73/1199633573.db2.gz WCZIAJLGUWVMSE-UHFFFAOYSA-N 0 0 305.117 3.112 10 5 DGBERN O=[N+]([O-])c1cc(Cl)c(NC[C@@H](O)C2CCC2)c(Cl)c1 ZINC000316261407 1199813156 /nfs/dbraw/zinc/81/31/56/1199813156.db2.gz IBPGWEHOGQWSFX-LLVKDONJSA-N 0 0 305.161 3.475 10 5 DGBERN O=[N+]([O-])c1cccc(OCc2cncc(Br)c2)c1 ZINC000131568419 1201155800 /nfs/dbraw/zinc/15/58/00/1201155800.db2.gz OENCOFHLNRSADN-UHFFFAOYSA-N 0 0 309.119 3.331 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1/C=C1/N=C(c2ccccc2)OC1=O ZINC000588436180 1082268573 /nfs/dbraw/zinc/26/85/73/1082268573.db2.gz KVNPWJOHIVKARI-XNTDXEJSSA-N 0 0 308.293 3.248 10 5 DGBERN CC[C@H](NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000588441000 1082285411 /nfs/dbraw/zinc/28/54/11/1082285411.db2.gz ITOAXIPZOMNOJH-YSANFCEKSA-N 0 0 318.373 3.072 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccncc1 ZINC000588443875 1082287958 /nfs/dbraw/zinc/28/79/58/1082287958.db2.gz LGIINQYOCHAGFQ-QBFSEMIESA-N 0 0 311.341 3.052 10 5 DGBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCCC[C@H]1CCCO1 ZINC000588448811 1082321125 /nfs/dbraw/zinc/32/11/25/1082321125.db2.gz JZQQIYBPODAKET-YYRKOSNBSA-N 0 0 305.330 3.110 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)nc1F ZINC000588612280 1082846259 /nfs/dbraw/zinc/84/62/59/1082846259.db2.gz LQRYJZXZUAPJMS-HJWRWDBZSA-N 0 0 319.267 3.310 10 5 DGBERN CC(C)CC[C@@H](C)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000069236108 1099096754 /nfs/dbraw/zinc/09/67/54/1099096754.db2.gz KMTMJFIKLNIJOU-SECBINFHSA-N 0 0 313.785 3.385 10 5 DGBERN CC[S@](=O)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000301577878 529454216 /nfs/dbraw/zinc/45/42/16/529454216.db2.gz TXDPZLSWXVOUKY-YOEYROIRSA-N 0 0 310.419 3.395 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCSC1 ZINC000286650518 219103310 /nfs/dbraw/zinc/10/33/10/219103310.db2.gz DLAMYBQPCWFBJP-BRADTZPFSA-N 0 0 320.414 3.258 10 5 DGBERN O=C(NC[C@H]1C[C@@H]1c1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000130005434 432012826 /nfs/dbraw/zinc/01/28/26/432012826.db2.gz LEVJWEMLKLJVLB-IUODEOHRSA-N 0 0 314.316 3.267 10 5 DGBERN C[C@H](CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[S@@](C)=O ZINC000130317267 432021255 /nfs/dbraw/zinc/02/12/55/432021255.db2.gz PHQSPDWIIBLZLR-ZEDNOMKYSA-N 0 0 324.324 3.183 10 5 DGBERN COc1ccc(-c2nnc(-c3cccc(F)c3)[nH]2)cc1[N+](=O)[O-] ZINC000072237733 191080022 /nfs/dbraw/zinc/08/00/22/191080022.db2.gz JEJZLWKMRHNFAR-UHFFFAOYSA-N 0 0 314.276 3.195 10 5 DGBERN COc1ccnc2c1-c1nc3ccccc3c3ccnc(c31)C2=O ZINC000000026685 180670901 /nfs/dbraw/zinc/67/09/01/180670901.db2.gz VTOZDHWZSJJCRE-UHFFFAOYSA-N 0 0 313.316 3.398 10 5 DGBERN NC1=NC(=O)SC1=CC(Cl)=Cc1ccc([N+](=O)[O-])cc1 ZINC000072414713 191155691 /nfs/dbraw/zinc/15/56/91/191155691.db2.gz BVMYCANMUMVKPV-UQZKWGPRSA-N 0 0 309.734 3.282 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1C(=O)Nc1ccc(Cl)cc1 ZINC000000121689 180699759 /nfs/dbraw/zinc/69/97/59/180699759.db2.gz UGZVTTSDUFHUGP-UHFFFAOYSA-N 0 0 308.725 3.025 10 5 DGBERN O=C(COc1c(Cl)cccc1[N+](=O)[O-])Nc1ccccc1F ZINC000130708182 432029602 /nfs/dbraw/zinc/02/96/02/432029602.db2.gz WEZQWGVQCCTDAZ-UHFFFAOYSA-N 0 0 324.695 3.405 10 5 DGBERN Cc1cc(C)c(OC(=O)[C@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000174023169 198282410 /nfs/dbraw/zinc/28/24/10/198282410.db2.gz FXDXLDWLRZBSJJ-GFCCVEGCSA-N 0 0 300.314 3.316 10 5 DGBERN C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)nc1 ZINC000174581646 198354988 /nfs/dbraw/zinc/35/49/88/198354988.db2.gz DAWHRAZCJIIVMK-UHFFFAOYSA-N 0 0 321.764 3.154 10 5 DGBERN COc1ccc(CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000005542856 181255279 /nfs/dbraw/zinc/25/52/79/181255279.db2.gz LNCDYYYVMKZLRA-UHFFFAOYSA-N 0 0 300.314 3.093 10 5 DGBERN CCOc1ccc(C(=O)Nc2c(C)onc2CC)cc1[N+](=O)[O-] ZINC000132988481 432056783 /nfs/dbraw/zinc/05/67/83/432056783.db2.gz UWQGICUEHWQKJV-UHFFFAOYSA-N 0 0 319.317 3.105 10 5 DGBERN CC[C@@H](NC(=O)CCc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000177799248 198779127 /nfs/dbraw/zinc/77/91/27/198779127.db2.gz DHIGIBIAWXPEOA-MRXNPFEDSA-N 0 0 313.357 3.190 10 5 DGBERN COc1cccc(NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000005864403 181291364 /nfs/dbraw/zinc/29/13/64/181291364.db2.gz TYBXXBKKJHHCIB-LLVKDONJSA-N 0 0 316.313 3.009 10 5 DGBERN CC[C@H](O)CN(Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000170715882 432078076 /nfs/dbraw/zinc/07/80/76/432078076.db2.gz XVJCNCLWRZAWHY-KRWDZBQOSA-N 0 0 300.358 3.372 10 5 DGBERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cs1 ZINC000187013456 200047060 /nfs/dbraw/zinc/04/70/60/200047060.db2.gz UTMHCNBFAPCVEO-JTQLQIEISA-N 0 0 323.399 3.399 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@@H]2Cc3ccccc3[C@@H]2O)c2ccncc21 ZINC000170982143 432091979 /nfs/dbraw/zinc/09/19/79/432091979.db2.gz DCIWFOPMIMXPIC-AEFFLSMTSA-N 0 0 321.336 3.213 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)N2CCC23CCC3)cc1[N+](=O)[O-] ZINC000435569099 238319480 /nfs/dbraw/zinc/31/94/80/238319480.db2.gz RAOZOWOAFRVVDG-GFCCVEGCSA-N 0 0 303.362 3.302 10 5 DGBERN CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccccc1 ZINC000056469410 283629783 /nfs/dbraw/zinc/62/97/83/283629783.db2.gz IMQAYJILFMYFIV-ZDUSSCGKSA-N 0 0 320.370 3.082 10 5 DGBERN Nc1cccc2c1CCN(c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000038032947 283678887 /nfs/dbraw/zinc/67/88/87/283678887.db2.gz QQYIHLCNZPTEPS-UHFFFAOYSA-N 0 0 303.749 3.393 10 5 DGBERN Cc1ncc([N+](=O)[O-])n1Cc1ccc(Br)c(C)c1 ZINC000443472643 239203383 /nfs/dbraw/zinc/20/33/83/239203383.db2.gz CRMUEPDDZPSYNC-UHFFFAOYSA-N 0 0 310.151 3.219 10 5 DGBERN C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000075286812 283818000 /nfs/dbraw/zinc/81/80/00/283818000.db2.gz DLGPPJPSFUFVJS-NEPJUHHUSA-N 0 0 317.389 3.430 10 5 DGBERN CC(C)(C)OC(=O)CCC(C)(C)Nc1ccc([N+](=O)[O-])nc1 ZINC000450362863 240670719 /nfs/dbraw/zinc/67/07/19/240670719.db2.gz ILQJTXNTDCAWDO-UHFFFAOYSA-N 0 0 309.366 3.302 10 5 DGBERN O=C(CCC(=O)N1CCCC12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000451218961 241050447 /nfs/dbraw/zinc/05/04/47/241050447.db2.gz STUNMFYGDRQCRV-UHFFFAOYSA-N 0 0 316.357 3.103 10 5 DGBERN C[C@H]1C[C@@H]1Nc1ccc(I)cc1[N+](=O)[O-] ZINC000082403748 283931925 /nfs/dbraw/zinc/93/19/25/283931925.db2.gz HEBYWLOWFZIALZ-RCOVLWMOSA-N 0 0 318.114 3.020 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc(F)c1F ZINC000103375204 284028625 /nfs/dbraw/zinc/02/86/25/284028625.db2.gz LLGSTMSDRSUKGI-SECBINFHSA-N 0 0 318.279 3.464 10 5 DGBERN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCO[C@@H](C2CC2)C1 ZINC000470217373 244159473 /nfs/dbraw/zinc/15/94/73/244159473.db2.gz YYTKPLGRRAIEAP-JZUUQJBKSA-N 0 0 302.374 3.109 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)C2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000094083691 193343897 /nfs/dbraw/zinc/34/38/97/193343897.db2.gz NQDUMLCLDVXMDQ-UPJWGTAASA-N 0 0 320.389 3.284 10 5 DGBERN O=C(N[C@@H]1CCCC(F)(F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000488957682 245253807 /nfs/dbraw/zinc/25/38/07/245253807.db2.gz VEQUDFRKKITMAV-MRVPVSSYSA-N 0 0 302.252 3.042 10 5 DGBERN O=C(N[C@H]1COc2ccccc21)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000058967984 284255821 /nfs/dbraw/zinc/25/58/21/284255821.db2.gz LZGJRNXDKBYWLG-LBPRGKRZSA-N 0 0 318.716 3.112 10 5 DGBERN CCOC(=O)c1cnc(C(C)C)nc1-c1ccccc1[N+](=O)[O-] ZINC000008700210 181573788 /nfs/dbraw/zinc/57/37/88/181573788.db2.gz AQEJVTFWDLAACW-UHFFFAOYSA-N 0 0 315.329 3.352 10 5 DGBERN CC[C@H]1CCCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000125504624 284277322 /nfs/dbraw/zinc/27/73/22/284277322.db2.gz MUFZDAWESYHUBH-NSHDSACASA-N 0 0 316.361 3.266 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(c2ccccc2F)CC1 ZINC000126793407 284316975 /nfs/dbraw/zinc/31/69/75/284316975.db2.gz YIQUITUFIMNUJX-UHFFFAOYSA-N 0 0 314.316 3.461 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)c1ccccc1N(C)C ZINC000128739609 284385187 /nfs/dbraw/zinc/38/51/87/284385187.db2.gz NPSWVFPPURYOAR-UHFFFAOYSA-N 0 0 313.357 3.246 10 5 DGBERN O=[N+]([O-])c1ccc(NCCc2c[nH]c3ccc(F)cc23)nc1 ZINC000020135426 182190682 /nfs/dbraw/zinc/19/06/82/182190682.db2.gz MSNHOGKDAWZXDA-UHFFFAOYSA-N 0 0 300.293 3.265 10 5 DGBERN Cc1c(C(=O)NCCC2=CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000160127918 197388250 /nfs/dbraw/zinc/38/82/50/197388250.db2.gz OXYVOVGXQNJBGC-UHFFFAOYSA-N 0 0 319.317 3.042 10 5 DGBERN O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1C1CC1 ZINC000021145242 182266928 /nfs/dbraw/zinc/26/69/28/182266928.db2.gz JUUKPUJPAZNNDV-UHFFFAOYSA-N 0 0 324.292 3.146 10 5 DGBERN CCCc1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000136433935 284502448 /nfs/dbraw/zinc/50/24/48/284502448.db2.gz AKAJPVSTZYRNTD-UHFFFAOYSA-N 0 0 308.725 3.176 10 5 DGBERN Cc1[nH]nc(C(C)C)c1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000136033008 432143971 /nfs/dbraw/zinc/14/39/71/432143971.db2.gz JXMLYTHXNPMSHS-UHFFFAOYSA-N 0 0 302.334 3.310 10 5 DGBERN Cc1cccc(Nc2[nH]cnc(=NNC(C)(C)C)c2[N+](=O)[O-])c1 ZINC000040648528 183113998 /nfs/dbraw/zinc/11/39/98/183113998.db2.gz VHOUSLRLPQVDQV-UHFFFAOYSA-N 0 0 316.365 3.152 10 5 DGBERN COc1ccc(C)cc1Nc1ncnc(NC(C)C)c1[N+](=O)[O-] ZINC000040583874 183105053 /nfs/dbraw/zinc/10/50/53/183105053.db2.gz LGPKLNQSNYCCRA-UHFFFAOYSA-N 0 0 317.349 3.266 10 5 DGBERN CCOc1ncnc(Nc2cc(Cl)ccc2OC)c1[N+](=O)[O-] ZINC000040589758 183105642 /nfs/dbraw/zinc/10/56/42/183105642.db2.gz GBUVFINYMHQICS-UHFFFAOYSA-N 0 0 324.724 3.189 10 5 DGBERN CCNc1ncnc(Nc2cccc3nc(C)ccc32)c1[N+](=O)[O-] ZINC000040596648 183107160 /nfs/dbraw/zinc/10/71/60/183107160.db2.gz PEENIALRMGGWQI-UHFFFAOYSA-N 0 0 324.344 3.417 10 5 DGBERN O=[N+]([O-])c1c(NC2CCCCC2)ncnc1Oc1cccnc1 ZINC000040598342 183107759 /nfs/dbraw/zinc/10/77/59/183107759.db2.gz GEIGKBAZTQLCRD-UHFFFAOYSA-N 0 0 315.333 3.317 10 5 DGBERN CCN(CC)c1ncnc(Nc2ccccc2F)c1[N+](=O)[O-] ZINC000040607999 183108584 /nfs/dbraw/zinc/10/85/84/183108584.db2.gz BDDSAJJAABKFIS-UHFFFAOYSA-N 0 0 305.313 3.114 10 5 DGBERN O=[N+]([O-])c1c(Sc2ccccc2)ncnc1N1CCCC1 ZINC000040609119 183108710 /nfs/dbraw/zinc/10/87/10/183108710.db2.gz HBCCCLKQIXXEFL-UHFFFAOYSA-N 0 0 302.359 3.136 10 5 DGBERN COc1ccc(NC(=O)CCc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000040994617 183155335 /nfs/dbraw/zinc/15/53/35/183155335.db2.gz KPXGJCOCLNLKQH-UHFFFAOYSA-N 0 0 314.341 3.483 10 5 DGBERN CCc1cccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000040868488 183144639 /nfs/dbraw/zinc/14/46/39/183144639.db2.gz MJIBPLCAMZWKML-UHFFFAOYSA-N 0 0 300.314 3.175 10 5 DGBERN Cc1sc(C(=O)N(C)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000043740378 183384354 /nfs/dbraw/zinc/38/43/54/183384354.db2.gz NCADFPQKPAKOJP-UHFFFAOYSA-N 0 0 308.334 3.376 10 5 DGBERN O=[N+]([O-])c1ccc(OCc2nc(-c3ccoc3)no2)c(Cl)c1 ZINC000105571765 194112098 /nfs/dbraw/zinc/11/20/98/194112098.db2.gz AFKQPGPYQJUQGV-UHFFFAOYSA-N 0 0 321.676 3.470 10 5 DGBERN Cc1nc(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)no1 ZINC000064330348 184294476 /nfs/dbraw/zinc/29/44/76/184294476.db2.gz ZULSVAHMOVUNHV-UHFFFAOYSA-N 0 0 324.296 3.206 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1ccco1 ZINC000116047355 194712601 /nfs/dbraw/zinc/71/26/01/194712601.db2.gz MMCRQBDFDHHBDP-AWEZNQCLSA-N 0 0 300.314 3.474 10 5 DGBERN Cc1c(NCc2nnc(-c3ccccc3)n2C)cccc1[N+](=O)[O-] ZINC000090371104 252613161 /nfs/dbraw/zinc/61/31/61/252613161.db2.gz JPCGHJBROTYQPH-UHFFFAOYSA-N 0 0 323.356 3.311 10 5 DGBERN O=C(Cc1cnc2ccccc2c1)Nc1cccc([N+](=O)[O-])c1 ZINC000118869166 194938313 /nfs/dbraw/zinc/93/83/13/194938313.db2.gz PWAAVLRYLOOVJC-UHFFFAOYSA-N 0 0 307.309 3.324 10 5 DGBERN O=C(NC/C=C\c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000254992254 285118331 /nfs/dbraw/zinc/11/83/31/285118331.db2.gz JEFCBBPVLSWHAV-DAXSKMNVSA-N 0 0 300.289 3.177 10 5 DGBERN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccncc1 ZINC000158308871 197261661 /nfs/dbraw/zinc/26/16/61/197261661.db2.gz KBWCHQDGZBGQNZ-LLVKDONJSA-N 0 0 305.359 3.241 10 5 DGBERN CC(=O)c1cc(NC[C@@](C)(O)CCC(C)C)ccc1[N+](=O)[O-] ZINC000342354526 253971077 /nfs/dbraw/zinc/97/10/77/253971077.db2.gz ZOWXTYRORQVCDY-INIZCTEOSA-N 0 0 308.378 3.397 10 5 DGBERN COc1cnccc1[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000187050396 533141329 /nfs/dbraw/zinc/14/13/29/533141329.db2.gz FIXGYPNJPMIVPX-VXGBXAGGSA-N 0 0 301.346 3.410 10 5 DGBERN CC[C@@H](NC(=O)C1=C(C)OCCC1)c1cccc([N+](=O)[O-])c1 ZINC000155210611 197032907 /nfs/dbraw/zinc/03/29/07/197032907.db2.gz RFIQSQPUWFEVLR-OAHLLOKOSA-N 0 0 304.346 3.247 10 5 DGBERN CC(C)c1ccc(CN(C)CC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000120677919 195213743 /nfs/dbraw/zinc/21/37/43/195213743.db2.gz SGBXDVVGBPLWSR-UHFFFAOYSA-N 0 0 321.421 3.065 10 5 DGBERN CC(C)(C)[C@@H](O)COc1ccc(Br)cc1[N+](=O)[O-] ZINC000290025783 221387771 /nfs/dbraw/zinc/38/77/71/221387771.db2.gz GPAKAMLQIGNBFP-NSHDSACASA-N 0 0 318.167 3.143 10 5 DGBERN O=C1c2ccccc2N[C@H](c2ccccc2[N+](=O)[O-])N1C1CC1 ZINC000007889725 296440785 /nfs/dbraw/zinc/44/07/85/296440785.db2.gz KDSMLRRQKLTLIG-INIZCTEOSA-N 0 0 309.325 3.324 10 5 DGBERN C[C@@H](Nc1cc(CO)ccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000302073906 533551963 /nfs/dbraw/zinc/55/19/63/533551963.db2.gz WWFYNMSGPWYCED-RISCZKNCSA-N 0 0 314.341 3.064 10 5 DGBERN C[C@@H]1CCCC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301113443 533600816 /nfs/dbraw/zinc/60/08/16/533600816.db2.gz LIBYBOPMRLMZEW-MNOVXSKESA-N 0 0 319.361 3.164 10 5 DGBERN COC(=O)c1cc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000302134619 292002117 /nfs/dbraw/zinc/00/21/17/292002117.db2.gz CXEWTJSZCUIVLC-WHOFXGATSA-N 0 0 318.373 3.396 10 5 DGBERN O=[N+]([O-])c1ccc(CO)cc1N1CCc2ccc(Cl)cc2C1 ZINC000302076577 296504353 /nfs/dbraw/zinc/50/43/53/296504353.db2.gz YGYXCOSBTITZFB-UHFFFAOYSA-N 0 0 318.760 3.303 10 5 DGBERN O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160672964 304799705 /nfs/dbraw/zinc/79/97/05/304799705.db2.gz NYROURJVHZPJCH-ABAIWWIYSA-N 0 0 310.781 3.380 10 5 DGBERN Cn1c(CNc2ccc([N+](=O)[O-])nc2)nc2cc(Cl)ccc21 ZINC000357467634 285766077 /nfs/dbraw/zinc/76/60/77/285766077.db2.gz ZNKFFOYZKYUWIH-UHFFFAOYSA-N 0 0 317.736 3.142 10 5 DGBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H](CO)C1CC1 ZINC000357814620 285880931 /nfs/dbraw/zinc/88/09/31/285880931.db2.gz VDKVBGRGSKTVCC-VIFPVBQESA-N 0 0 304.268 3.044 10 5 DGBERN COc1ccc(C)cc1[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000007922749 400114300 /nfs/dbraw/zinc/11/43/00/400114300.db2.gz ZNOUPYMEKQHTHO-GFCCVEGCSA-N 0 0 314.341 3.403 10 5 DGBERN Cc1nnc([C@@H](Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)[nH]1 ZINC000091479467 400122948 /nfs/dbraw/zinc/12/29/48/400122948.db2.gz WEXDJNBNIJLNNN-HNNXBMFYSA-N 0 0 309.329 3.223 10 5 DGBERN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](c2ccco2)C1 ZINC000610365948 400250422 /nfs/dbraw/zinc/25/04/22/400250422.db2.gz GBGNHKZRMVEQNR-WCQYABFASA-N 0 0 317.345 3.140 10 5 DGBERN C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000609796762 400192373 /nfs/dbraw/zinc/19/23/73/400192373.db2.gz NSJGJZQWTLPZMV-XJKSGUPXSA-N 0 0 312.373 3.237 10 5 DGBERN CC(C)[C@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000022475220 400202104 /nfs/dbraw/zinc/20/21/04/400202104.db2.gz YXWRKYJSASUDSL-AWEZNQCLSA-N 0 0 322.408 3.315 10 5 DGBERN C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccncc1 ZINC000610525876 400271319 /nfs/dbraw/zinc/27/13/19/400271319.db2.gz AQTWKMCVWBAYEY-JTQLQIEISA-N 0 0 319.748 3.177 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)c1ccncc1 ZINC000610530333 400273259 /nfs/dbraw/zinc/27/32/59/400273259.db2.gz GWCXMBAAVQVCRO-GFCCVEGCSA-N 0 0 314.345 3.223 10 5 DGBERN O=[N+]([O-])c1ccc(Br)c(OC(F)(F)F)c1F ZINC000396056508 400282041 /nfs/dbraw/zinc/28/20/41/400282041.db2.gz LHOCBMNAODHJSD-UHFFFAOYSA-N 0 0 303.993 3.395 10 5 DGBERN COC(=O)c1cc([N+](=O)[O-])ccc1-c1c(OC)cccc1OC ZINC000034598162 400384969 /nfs/dbraw/zinc/38/49/69/400384969.db2.gz OAANBBFLJJTXDN-UHFFFAOYSA-N 0 0 317.297 3.066 10 5 DGBERN C[C@@H](CO)CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1 ZINC000611230548 400361558 /nfs/dbraw/zinc/36/15/58/400361558.db2.gz IJMWNJHQVNWABI-GFCCVEGCSA-N 0 0 301.346 3.379 10 5 DGBERN Cc1sc(C(=O)NC/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000112585829 400375942 /nfs/dbraw/zinc/37/59/42/400375942.db2.gz NAQSOURNRLQYHH-VMPITWQZSA-N 0 0 302.355 3.408 10 5 DGBERN C[C@H](Cc1ccccc1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000041316272 400405251 /nfs/dbraw/zinc/40/52/51/400405251.db2.gz SOGIHLHWJOYQGM-CQSZACIVSA-N 0 0 312.369 3.132 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000043721957 400476618 /nfs/dbraw/zinc/47/66/18/400476618.db2.gz SERDBQVBSIUGGY-LBPRGKRZSA-N 0 0 317.345 3.399 10 5 DGBERN CC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000045143292 400512505 /nfs/dbraw/zinc/51/25/05/400512505.db2.gz RUNCCPBBLQPYTK-UHFFFAOYSA-N 0 0 304.327 3.420 10 5 DGBERN COc1cc(NCC[C@H]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000612104523 400492998 /nfs/dbraw/zinc/49/29/98/400492998.db2.gz YBZYFXBDAMXHTM-MNOVXSKESA-N 0 0 312.341 3.360 10 5 DGBERN C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)(C)C ZINC000134416774 400576908 /nfs/dbraw/zinc/57/69/08/400576908.db2.gz PGOQXFIKHOXKPM-SNVBAGLBSA-N 0 0 303.362 3.169 10 5 DGBERN Cc1ccc(N[C@H](C)c2nnc3n2CCCC3)c([N+](=O)[O-])c1 ZINC000157370128 292161901 /nfs/dbraw/zinc/16/19/01/292161901.db2.gz QLYGENQHNFHZHR-LLVKDONJSA-N 0 0 301.350 3.004 10 5 DGBERN O=[N+]([O-])c1ccc(NC[C@H]2CCCC[C@H]2O)c2ccncc21 ZINC000077208337 400694909 /nfs/dbraw/zinc/69/49/09/400694909.db2.gz AAYPZUIPEPJTKE-BDJLRTHQSA-N 0 0 301.346 3.106 10 5 DGBERN CC(C)Cn1cnnc1[C@H]1CCCN1c1ccccc1[N+](=O)[O-] ZINC000078022076 400761661 /nfs/dbraw/zinc/76/16/61/400761661.db2.gz UNXJEJUFIHQLCR-OAHLLOKOSA-N 0 0 315.377 3.184 10 5 DGBERN CC(C)Cn1ccnc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000172512372 400831729 /nfs/dbraw/zinc/83/17/29/400831729.db2.gz BHAMJXHEOYKNEK-UHFFFAOYSA-N 0 0 322.752 3.353 10 5 DGBERN COc1c(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)cccc1[N+](=O)[O-] ZINC000619442452 400850189 /nfs/dbraw/zinc/85/01/89/400850189.db2.gz VJXMUQZPPHNFAV-YVEFUNNKSA-N 0 0 318.373 3.256 10 5 DGBERN COc1c(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)cccc1[N+](=O)[O-] ZINC000619442450 400850199 /nfs/dbraw/zinc/85/01/99/400850199.db2.gz VJXMUQZPPHNFAV-SJCJKPOMSA-N 0 0 318.373 3.256 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000246205946 401023778 /nfs/dbraw/zinc/02/37/78/401023778.db2.gz NAUVPSKFQXTFGT-RCCFBDPRSA-N 0 0 322.364 3.361 10 5 DGBERN CNC(=O)c1ccc(N2CCC[C@H]2CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000057831117 401029889 /nfs/dbraw/zinc/02/98/89/401029889.db2.gz PXAFMVZMUGPHFU-ZDUSSCGKSA-N 0 0 319.405 3.359 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000088727963 401206380 /nfs/dbraw/zinc/20/63/80/401206380.db2.gz WXNOUTHZDHZUFP-GFCCVEGCSA-N 0 0 306.362 3.071 10 5 DGBERN CC[C@H](NC(=O)N(C)[C@@H](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090687763 401271011 /nfs/dbraw/zinc/27/10/11/401271011.db2.gz ZEFVELIPABSMBO-NHYWBVRUSA-N 0 0 305.378 3.486 10 5 DGBERN Cc1nccc(CSCCOc2cccc([N+](=O)[O-])c2)n1 ZINC000359130153 286243682 /nfs/dbraw/zinc/24/36/82/286243682.db2.gz RRNXSCROYFYCDO-UHFFFAOYSA-N 0 0 305.359 3.005 10 5 DGBERN O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H](CO)CC1CCCC1 ZINC000359286910 286275942 /nfs/dbraw/zinc/27/59/42/286275942.db2.gz HXCATCMAOWMXRE-NSHDSACASA-N 0 0 313.785 3.244 10 5 DGBERN Cc1ccccc1[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)[C@@H](C)CO1 ZINC000359534829 286329273 /nfs/dbraw/zinc/32/92/73/286329273.db2.gz SNEGHYROPOIJFE-BBRMVZONSA-N 0 0 313.357 3.265 10 5 DGBERN CCO[C@@H]1C[C@H](N(C)c2ncccc2[N+](=O)[O-])C12CCCC2 ZINC000156880543 286335174 /nfs/dbraw/zinc/33/51/74/286335174.db2.gz GKGYKVJBTSTILG-UONOGXRCSA-N 0 0 305.378 3.164 10 5 DGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000361046874 286585042 /nfs/dbraw/zinc/58/50/42/286585042.db2.gz STIMMOBBAZGHJO-ZBFHGGJFSA-N 0 0 320.389 3.031 10 5 DGBERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160294189 164590256 /nfs/dbraw/zinc/59/02/56/164590256.db2.gz NCUSPODQYJISNJ-MUWHJKNJSA-N 0 0 303.240 3.144 10 5 DGBERN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1ccco1 ZINC000172114358 164650487 /nfs/dbraw/zinc/65/04/87/164650487.db2.gz MWMALOUROUQVTE-AWEZNQCLSA-N 0 0 315.329 3.235 10 5 DGBERN CN(Cc1ccc(Cl)cc1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180594480 164889701 /nfs/dbraw/zinc/88/97/01/164889701.db2.gz APYPVAHKPJMYOI-UHFFFAOYSA-N 0 0 319.748 3.103 10 5 DGBERN COCc1ccsc1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180774709 164894671 /nfs/dbraw/zinc/89/46/71/164894671.db2.gz JQNOESANZQQQFJ-JTQLQIEISA-N 0 0 320.370 3.294 10 5 DGBERN CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000186714036 165057073 /nfs/dbraw/zinc/05/70/73/165057073.db2.gz GLUFVMNBGLRONP-KBPBESRZSA-N 0 0 314.345 3.011 10 5 DGBERN O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccc(C2CC2)cc1 ZINC000191188820 165235817 /nfs/dbraw/zinc/23/58/17/165235817.db2.gz GKTSLKISTSKDFB-UHFFFAOYSA-N 0 0 310.353 3.331 10 5 DGBERN CC[C@](C)(CCO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000228614172 165390961 /nfs/dbraw/zinc/39/09/61/165390961.db2.gz AOMCOUKUYKERDC-GFCCVEGCSA-N 0 0 317.183 3.320 10 5 DGBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nccs2)C1 ZINC000171643895 432153525 /nfs/dbraw/zinc/15/35/25/432153525.db2.gz RKXLCYWUPZEEMD-GFCCVEGCSA-N 0 0 317.370 3.071 10 5 DGBERN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[C@H]1C(F)(F)F ZINC000190709470 432183306 /nfs/dbraw/zinc/18/33/06/432183306.db2.gz VOKZBMMYTRJHCO-SECBINFHSA-N 0 0 320.267 3.238 10 5 DGBERN COc1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000141429082 432184125 /nfs/dbraw/zinc/18/41/25/432184125.db2.gz VOXQVQCYARPRQR-UHFFFAOYSA-N 0 0 321.720 3.213 10 5 DGBERN O=[N+]([O-])c1ccnn1Cc1ncc(-c2ccccc2Cl)o1 ZINC000150904185 432199659 /nfs/dbraw/zinc/19/96/59/432199659.db2.gz QXHNWLKTCUNOCW-UHFFFAOYSA-N 0 0 304.693 3.148 10 5 DGBERN CS[C@@H]1CCCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000151166745 432225646 /nfs/dbraw/zinc/22/56/46/432225646.db2.gz HLNFBSSHMFVOPX-CYBMUJFWSA-N 0 0 308.403 3.261 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1cccc(O)c1 ZINC000163109680 228260107 /nfs/dbraw/zinc/26/01/07/228260107.db2.gz KVDARPOGNQLEBK-LLVKDONJSA-N 0 0 315.329 3.492 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCC[C@H](n3cccn3)C2)c2ncccc12 ZINC000301165310 229538332 /nfs/dbraw/zinc/53/83/32/229538332.db2.gz IJBSGUYLTINVRA-ZDUSSCGKSA-N 0 0 323.356 3.181 10 5 DGBERN O=[N+]([O-])c1ccc(CO)cc1NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000302056311 230069550 /nfs/dbraw/zinc/06/95/50/230069550.db2.gz QPGIPNLGTZWEOM-IIDMSEBBSA-N 0 0 310.353 3.085 10 5 DGBERN Cc1ccc2c(c1)[C@H](Nc1ccc3ncc([N+](=O)[O-])n3n1)CC2 ZINC000611240923 425079806 /nfs/dbraw/zinc/07/98/06/425079806.db2.gz KBQHZJDFNWUTFU-CYBMUJFWSA-N 0 0 309.329 3.045 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1snnc1C(C)(C)C ZINC000191356259 432254411 /nfs/dbraw/zinc/25/44/11/432254411.db2.gz DRRGRTILRUMJHA-UHFFFAOYSA-N 0 0 320.374 3.305 10 5 DGBERN CO[C@@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC[C@H]1C ZINC000191390536 432259695 /nfs/dbraw/zinc/25/96/95/432259695.db2.gz DDAJUXUQVYMZEH-MEBBXXQBSA-N 0 0 321.377 3.100 10 5 DGBERN CO[C@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC[C@@H]1C ZINC000191390552 432260117 /nfs/dbraw/zinc/26/01/17/432260117.db2.gz DDAJUXUQVYMZEH-BONVTDFDSA-N 0 0 321.377 3.100 10 5 DGBERN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cccnc1 ZINC000115226330 276062120 /nfs/dbraw/zinc/06/21/20/276062120.db2.gz NFQFUEOZMKPBSA-ZDUSSCGKSA-N 0 0 313.357 3.142 10 5 DGBERN Cc1cc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c(C)[nH]1 ZINC000610653791 430565152 /nfs/dbraw/zinc/56/51/52/430565152.db2.gz MKURZJZTXCFBFE-UHFFFAOYSA-N 0 0 310.313 3.340 10 5 DGBERN C[C@@H]1C[C@H](C)CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000119791171 278951071 /nfs/dbraw/zinc/95/10/71/278951071.db2.gz XFQBCYWVDUNNQF-PHIMTYICSA-N 0 0 301.346 3.194 10 5 DGBERN Cc1csc(N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000109287416 431175370 /nfs/dbraw/zinc/17/53/70/431175370.db2.gz HBCHEJYAUBKTTD-UHFFFAOYSA-N 0 0 316.342 3.118 10 5 DGBERN CC(C)(C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000115040693 431424244 /nfs/dbraw/zinc/42/42/44/431424244.db2.gz BOYBOSFMAPEQDB-UHFFFAOYSA-N 0 0 318.398 3.293 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000114484327 431394523 /nfs/dbraw/zinc/39/45/23/431394523.db2.gz PCRXXWKHYIFWHI-OAHLLOKOSA-N 0 0 316.361 3.054 10 5 DGBERN Cc1sc(C(=O)NC(C)(C)c2nccs2)cc1[N+](=O)[O-] ZINC000116138436 431489481 /nfs/dbraw/zinc/48/94/81/431489481.db2.gz ZGMDHUNCXCNOBD-UHFFFAOYSA-N 0 0 311.388 3.086 10 5 DGBERN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC(c2cc[nH]n2)CC1 ZINC000116275279 431500029 /nfs/dbraw/zinc/50/00/29/431500029.db2.gz GXVODWAMJWPXHS-UHFFFAOYSA-N 0 0 320.780 3.351 10 5 DGBERN CC[C@@H](C)Sc1nc(Cc2ccc([N+](=O)[O-])cc2)cc(=O)[nH]1 ZINC000013474602 431556100 /nfs/dbraw/zinc/55/61/00/431556100.db2.gz BKZLLLDAYWXMHJ-SNVBAGLBSA-N 0 0 319.386 3.160 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccccc1F ZINC000103377610 280023604 /nfs/dbraw/zinc/02/36/04/280023604.db2.gz CYAYCYKZTGRVOX-JTQLQIEISA-N 0 0 300.289 3.325 10 5 DGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCc1ccsc1 ZINC000117601802 431570702 /nfs/dbraw/zinc/57/07/02/431570702.db2.gz NNOCHSGIUXSWBX-UHFFFAOYSA-N 0 0 324.789 3.211 10 5 DGBERN C[C@H]1c2ccccc2O[C@H]1C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000117585667 280129891 /nfs/dbraw/zinc/12/98/91/280129891.db2.gz DNGRLUBHEZCVFQ-APPDUMDISA-N 0 0 324.336 3.049 10 5 DGBERN Cc1c(Br)c(N[C@@H]2CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000336685515 280198714 /nfs/dbraw/zinc/19/87/14/280198714.db2.gz DIVTYCKDEGDIFX-POYBYMJQSA-N 0 0 300.156 3.271 10 5 DGBERN Cc1c(Br)c(N[C@H]2CC[C@H]2C)ncc1[N+](=O)[O-] ZINC000336685517 280199033 /nfs/dbraw/zinc/19/90/33/280199033.db2.gz DIVTYCKDEGDIFX-SVRRBLITSA-N 0 0 300.156 3.271 10 5 DGBERN Cc1cc(C(=O)N[C@@H]2CCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000007214922 280354046 /nfs/dbraw/zinc/35/40/46/280354046.db2.gz FEKIKUNUIQMLAA-CQSZACIVSA-N 0 0 312.325 3.157 10 5 DGBERN O=[N+]([O-])c1ccc(Cl)c(CN2CCCC[C@@H]2c2nc[nH]n2)c1 ZINC000182742418 280364492 /nfs/dbraw/zinc/36/44/92/280364492.db2.gz BWDNTXHMGDIYLM-CYBMUJFWSA-N 0 0 321.768 3.094 10 5 DGBERN Cc1cc(C)c(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)o1 ZINC000175533772 280382559 /nfs/dbraw/zinc/38/25/59/280382559.db2.gz PVUXYJHCCMFBFN-JTQLQIEISA-N 0 0 300.314 3.396 10 5 DGBERN COc1cc([N+](=O)[O-])ccc1OCc1nc2cc(F)ccc2o1 ZINC000122006023 431807403 /nfs/dbraw/zinc/80/74/03/431807403.db2.gz TVCMAYCDNWIPMI-UHFFFAOYSA-N 0 0 318.260 3.463 10 5 DGBERN CCOc1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000032516410 431782937 /nfs/dbraw/zinc/78/29/37/431782937.db2.gz YUZXEIIZDRTLFN-UHFFFAOYSA-N 0 0 318.329 3.167 10 5 DGBERN Cc1ccc([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000088252971 431856516 /nfs/dbraw/zinc/85/65/16/431856516.db2.gz QGXNJUOZUDVCFH-GFCCVEGCSA-N 0 0 316.332 3.462 10 5 DGBERN CCn1cc(C(=O)O[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000084808416 431833894 /nfs/dbraw/zinc/83/38/94/431833894.db2.gz ATVGTXDCORAMHB-LLVKDONJSA-N 0 0 303.318 3.038 10 5 DGBERN COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000123971026 431879303 /nfs/dbraw/zinc/87/93/03/431879303.db2.gz WJEHPWCEAHXZPH-UHFFFAOYSA-N 0 0 314.341 3.184 10 5 DGBERN C[C@H](O)C1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000124389513 431892536 /nfs/dbraw/zinc/89/25/36/431892536.db2.gz WINUQKAHBRROSE-QMMMGPOBSA-N 0 0 319.188 3.499 10 5 DGBERN COc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1Cl ZINC000046634921 431899581 /nfs/dbraw/zinc/89/95/81/431899581.db2.gz IWWGNOSLECDXHR-UHFFFAOYSA-N 0 0 321.720 3.213 10 5 DGBERN Cc1sc(C(=O)Nc2cccnc2OC(C)C)cc1[N+](=O)[O-] ZINC000124618607 431899907 /nfs/dbraw/zinc/89/99/07/431899907.db2.gz XNMDBMSUBNSKHU-UHFFFAOYSA-N 0 0 321.358 3.399 10 5 DGBERN Cc1ccc(C(=O)N[C@H]2CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000055683140 431984961 /nfs/dbraw/zinc/98/49/61/431984961.db2.gz UPGWZACHTAVRDO-HNNXBMFYSA-N 0 0 314.316 3.460 10 5 DGBERN CCC(C)(C)NC(=O)COc1ccc([N+](=O)[O-])c2ccccc12 ZINC000151736055 432271506 /nfs/dbraw/zinc/27/15/06/432271506.db2.gz FFNIVLUNBYJBDP-UHFFFAOYSA-N 0 0 316.357 3.432 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1CN(C)Cc1nc2ccccc2n1C ZINC000183342190 432283058 /nfs/dbraw/zinc/28/30/58/432283058.db2.gz NGCAKEDRRSYGBB-UHFFFAOYSA-N 0 0 324.384 3.422 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CCC(C)C)C(C)(C)C)n1 ZINC000191618212 432284002 /nfs/dbraw/zinc/28/40/02/432284002.db2.gz YWABHHOHNLJEHN-ZDUSSCGKSA-N 0 0 324.425 3.392 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C)cccc2SC)n1 ZINC000191714850 432295194 /nfs/dbraw/zinc/29/51/94/432295194.db2.gz UAYLMJYFXLGBDB-UHFFFAOYSA-N 0 0 320.374 3.094 10 5 DGBERN Cc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000060635908 432000449 /nfs/dbraw/zinc/00/04/49/432000449.db2.gz SNZZKVDCIIBFID-LLVKDONJSA-N 0 0 316.279 3.318 10 5 DGBERN CCc1cc(NC(=O)C(C)(C)OC)c2cc([N+](=O)[O-])ccc2n1 ZINC000191979738 432320183 /nfs/dbraw/zinc/32/01/83/432320183.db2.gz XYYBMVWLACKESV-UHFFFAOYSA-N 0 0 317.345 3.069 10 5 DGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@H]1CCCO[C@@H]1C ZINC000192235176 432348196 /nfs/dbraw/zinc/34/81/96/432348196.db2.gz JPPYPWHYORRDJA-ZJUUUORDSA-N 0 0 313.737 3.277 10 5 DGBERN Cc1ccc([C@H](C)OC(=O)[C@@H]2CCCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000192246103 432350302 /nfs/dbraw/zinc/35/03/02/432350302.db2.gz FMHZQXDRKYQSKJ-OUCADQQQSA-N 0 0 307.346 3.323 10 5 DGBERN CSCCCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000152179799 432310981 /nfs/dbraw/zinc/31/09/81/432310981.db2.gz ATYGXZYRQYPLIE-UHFFFAOYSA-N 0 0 308.403 3.229 10 5 DGBERN CCc1ccc([C@@H](C)Nc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000252014987 432374951 /nfs/dbraw/zinc/37/49/51/432374951.db2.gz VDXKXRFIVLXNLC-LLVKDONJSA-N 0 0 313.357 3.429 10 5 DGBERN CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)c1nc(C)cs1 ZINC000153084610 432382216 /nfs/dbraw/zinc/38/22/16/432382216.db2.gz IXWLMDGNQSPZOG-UHFFFAOYSA-N 0 0 305.359 3.335 10 5 DGBERN CCC[C@@]1(COC)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000192742648 432409625 /nfs/dbraw/zinc/40/96/25/432409625.db2.gz YKMJSTGBIVISQB-KRWDZBQOSA-N 0 0 320.389 3.325 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC1CCCCC1 ZINC000193468508 432476371 /nfs/dbraw/zinc/47/63/71/432476371.db2.gz VXKUJJNVZJDNQM-LLVKDONJSA-N 0 0 305.378 3.387 10 5 DGBERN CC[C@@H](CSC)NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000185526365 432508680 /nfs/dbraw/zinc/50/86/80/432508680.db2.gz WZYAZSOCTLQGQY-STRFDMGBSA-N 0 0 308.403 3.256 10 5 DGBERN C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000194489809 432555197 /nfs/dbraw/zinc/55/51/97/432555197.db2.gz NUATYEYDTXBDFA-SNVBAGLBSA-N 0 0 305.359 3.217 10 5 DGBERN CC[C@@H](NC(=O)Cc1ccncc1C)c1cccc([N+](=O)[O-])c1 ZINC000185804402 432535386 /nfs/dbraw/zinc/53/53/86/432535386.db2.gz PMVZKSVTZHMHSJ-MRXNPFEDSA-N 0 0 313.357 3.108 10 5 DGBERN CC(C)[C@@H]1C[C@@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000185835682 432537941 /nfs/dbraw/zinc/53/79/41/432537941.db2.gz YFYDYQXBIGKVML-HOTGVXAUSA-N 0 0 302.374 3.378 10 5 DGBERN CCO[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cn2)C12CCCC2 ZINC000156885771 432610759 /nfs/dbraw/zinc/61/07/59/432610759.db2.gz JPTDDUVKIFMBGN-KGLIPLIRSA-N 0 0 305.378 3.164 10 5 DGBERN CC[C@@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000155692635 432568424 /nfs/dbraw/zinc/56/84/24/432568424.db2.gz YLDQUJLHFRVVKY-CYBMUJFWSA-N 0 0 306.362 3.398 10 5 DGBERN Cc1cc(N2CC[C@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000176955459 432569536 /nfs/dbraw/zinc/56/95/36/432569536.db2.gz CDJSHRBMXOJQRM-LBPRGKRZSA-N 0 0 306.362 3.071 10 5 DGBERN Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000176952164 432569787 /nfs/dbraw/zinc/56/97/87/432569787.db2.gz XKSXNNUPBVTDCD-GFCCVEGCSA-N 0 0 306.362 3.071 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1Cl ZINC000195524108 432625868 /nfs/dbraw/zinc/62/58/68/432625868.db2.gz UVFPFZSBFJTBMY-UHFFFAOYSA-N 0 0 309.684 3.343 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(Sc2nnc(C(F)(F)F)s2)n1 ZINC000186803541 432632656 /nfs/dbraw/zinc/63/26/56/432632656.db2.gz XQVIQMJOJFLGKD-UHFFFAOYSA-N 0 0 322.293 3.320 10 5 DGBERN CCc1nn(C)c(NCc2ccc(C(F)F)cc2)c1[N+](=O)[O-] ZINC000274228927 432640843 /nfs/dbraw/zinc/64/08/43/432640843.db2.gz YEWDLEIYVBUKGQ-UHFFFAOYSA-N 0 0 310.304 3.440 10 5 DGBERN Cc1ccc([C@@H]2CN(Cc3cccc([N+](=O)[O-])c3C)CCO2)o1 ZINC000158827741 432659487 /nfs/dbraw/zinc/65/94/87/432659487.db2.gz ZBIRUGCAIIVDBU-KRWDZBQOSA-N 0 0 316.357 3.378 10 5 DGBERN CC[C@@H](NC(=O)[C@@H](C)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000177796306 432661953 /nfs/dbraw/zinc/66/19/53/432661953.db2.gz QZCOTLYSACSJLW-BLLLJJGKSA-N 0 0 313.357 3.361 10 5 DGBERN Cc1ccc([C@@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CCO2)o1 ZINC000159014009 432666197 /nfs/dbraw/zinc/66/61/97/432666197.db2.gz LGMWLLJFGBAXLY-KRWDZBQOSA-N 0 0 316.357 3.112 10 5 DGBERN O=C(CCNc1ccccc1[N+](=O)[O-])NCCC1=CCCC1 ZINC000160161586 432709097 /nfs/dbraw/zinc/70/90/97/432709097.db2.gz ZYANVZAJUYAUDQ-UHFFFAOYSA-N 0 0 303.362 3.013 10 5 DGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@@H](c2ccc(F)cc2)O1 ZINC000266308891 432756184 /nfs/dbraw/zinc/75/61/84/432756184.db2.gz ZXQAISAETZIQKC-ABAIWWIYSA-N 0 0 317.320 3.095 10 5 DGBERN CCc1cccc(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000154310339 292676874 /nfs/dbraw/zinc/67/68/74/292676874.db2.gz OZVFVFQPZHGIPK-UHFFFAOYSA-N 0 0 310.353 3.289 10 5 DGBERN Cc1cccc2c1OCC[C@H]2NC(=O)c1ccccc1[N+](=O)[O-] ZINC000189587311 432802427 /nfs/dbraw/zinc/80/24/27/432802427.db2.gz NYUWQWXCNDBOQI-CQSZACIVSA-N 0 0 312.325 3.157 10 5 DGBERN CCCN(CCc1ccccn1)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000189681333 432810997 /nfs/dbraw/zinc/81/09/97/432810997.db2.gz HTDLCKVVAMXDCQ-UHFFFAOYSA-N 0 0 315.373 3.458 10 5 DGBERN O=[N+]([O-])c1ccccc1NCCc1nc(-c2ccccc2)n[nH]1 ZINC000162145884 432814682 /nfs/dbraw/zinc/81/46/82/432814682.db2.gz NOZBBZFXFRWLFJ-UHFFFAOYSA-N 0 0 309.329 3.035 10 5 DGBERN COc1cc(C)cc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000162146927 432814697 /nfs/dbraw/zinc/81/46/97/432814697.db2.gz SIGYOWGOTJKIGP-UHFFFAOYSA-N 0 0 320.370 3.212 10 5 DGBERN C[C@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CCS1 ZINC000292015666 433429747 /nfs/dbraw/zinc/42/97/47/433429747.db2.gz SIJRRVIOKMVSDD-NSHDSACASA-N 0 0 303.387 3.475 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCC[C@@H](COc3ccccc3)C2)nc1 ZINC000301256454 433473150 /nfs/dbraw/zinc/47/31/50/433473150.db2.gz BLPIQWMVPSIKTA-CQSZACIVSA-N 0 0 313.357 3.285 10 5 DGBERN COc1ccc(OCc2nc(C3CCCC3)no2)c([N+](=O)[O-])c1 ZINC000162057559 292846456 /nfs/dbraw/zinc/84/64/56/292846456.db2.gz GXDZIWKSIWJNOI-UHFFFAOYSA-N 0 0 319.317 3.223 10 5 DGBERN Cn1c(CNc2ccc([N+](=O)[O-])cn2)cc(Cl)c1Cl ZINC000301614900 433639474 /nfs/dbraw/zinc/63/94/74/433639474.db2.gz BAUUFNPVNUZLDA-UHFFFAOYSA-N 0 0 301.133 3.247 10 5 DGBERN Cc1ccnc(N[C@@H](C)c2cn(-c3ccccc3)nn2)c1[N+](=O)[O-] ZINC000301672231 433671684 /nfs/dbraw/zinc/67/16/84/433671684.db2.gz QUJJVSHEMWDHSH-LBPRGKRZSA-N 0 0 324.344 3.052 10 5 DGBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nn1 ZINC000301687890 433678253 /nfs/dbraw/zinc/67/82/53/433678253.db2.gz XLOKCTSKMIRCSF-LBPRGKRZSA-N 0 0 309.329 3.349 10 5 DGBERN CC(=O)N(C)c1cccc(Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000301631644 433651752 /nfs/dbraw/zinc/65/17/52/433651752.db2.gz CTPDBUYGOYDJEG-UHFFFAOYSA-N 0 0 300.318 3.025 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCOC(C)(C)C1 ZINC000368211068 293103798 /nfs/dbraw/zinc/10/37/98/293103798.db2.gz BNYIWSMMZUZXNS-ACCUITESSA-N 0 0 318.373 3.026 10 5 DGBERN Cc1cc([N+](=O)[O-])cnc1NCc1ccn(C2CCCC2)n1 ZINC000301767374 433712487 /nfs/dbraw/zinc/71/24/87/433712487.db2.gz ODYHBWXMXOVROK-UHFFFAOYSA-N 0 0 301.350 3.222 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1 ZINC000301944322 433804722 /nfs/dbraw/zinc/80/47/22/433804722.db2.gz AJVIUNQDXAXVED-APHBMKBZSA-N 0 0 314.316 3.493 10 5 DGBERN C[C@H](NC(=O)N1CCCC12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000377362065 433860500 /nfs/dbraw/zinc/86/05/00/433860500.db2.gz IYXFNQAKFRXURB-LBPRGKRZSA-N 0 0 303.362 3.384 10 5 DGBERN COC(=O)c1cnc(NC[C@@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC000302778212 433862175 /nfs/dbraw/zinc/86/21/75/433862175.db2.gz PYDIYNFMTZZVAL-SECBINFHSA-N 0 0 321.358 3.054 10 5 DGBERN COc1cc(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1O ZINC000436259942 433922194 /nfs/dbraw/zinc/92/21/94/433922194.db2.gz GJSLGBPPEJXIHU-UHFFFAOYSA-N 0 0 317.301 3.261 10 5 DGBERN COc1cc(N[C@H](CO)CC2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000509533030 294355359 /nfs/dbraw/zinc/35/53/59/294355359.db2.gz OEHQQVPADGXLLX-NSHDSACASA-N 0 0 312.341 3.096 10 5 DGBERN CC(C)(C(=O)N1CCC12CCC2)c1ccc([N+](=O)[O-])cc1F ZINC000358103172 434332175 /nfs/dbraw/zinc/33/21/75/434332175.db2.gz BEOHARXRGLWZFW-UHFFFAOYSA-N 0 0 306.337 3.167 10 5 DGBERN CC(=O)c1cc(N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000450690949 434343677 /nfs/dbraw/zinc/34/36/77/434343677.db2.gz JHPBDTUHGTYCIR-IHHFWDAISA-N 0 0 312.369 3.446 10 5 DGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC=C(c2ccncc2)C1 ZINC000340947565 434449510 /nfs/dbraw/zinc/44/95/10/434449510.db2.gz HMYYQVCAGPBAOK-UHFFFAOYSA-N 0 0 323.352 3.486 10 5 DGBERN C[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCC1=O ZINC000408106145 434542791 /nfs/dbraw/zinc/54/27/91/434542791.db2.gz JOAPSLJPEDEKKF-ZETCQYMHSA-N 0 0 303.145 3.317 10 5 DGBERN CC(=O)c1ccc(Nc2cn(C)nc2C(C)C)c([N+](=O)[O-])c1 ZINC000360274826 434562966 /nfs/dbraw/zinc/56/29/66/434562966.db2.gz MUAGGNDRJDXNIZ-UHFFFAOYSA-N 0 0 302.334 3.398 10 5 DGBERN CCOc1ccc(C(=O)N2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC000371380594 434684664 /nfs/dbraw/zinc/68/46/64/434684664.db2.gz AUGOJNJPPNUGPF-UHFFFAOYSA-N 0 0 304.346 3.008 10 5 DGBERN COC(=O)c1cc(C)nc(N(C)[C@@H]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000553227669 434883604 /nfs/dbraw/zinc/88/36/04/434883604.db2.gz UQIZBHLOUIWGSI-LLVKDONJSA-N 0 0 321.377 3.100 10 5 DGBERN CCOc1cc([N+](=O)[O-])c(I)cc1CC ZINC000575694452 435045825 /nfs/dbraw/zinc/04/58/25/435045825.db2.gz GFUROPNUHBMFFI-UHFFFAOYSA-N 0 0 321.114 3.161 10 5 DGBERN CCOC(=O)c1cc(Br)cc(Cl)c1[N+](=O)[O-] ZINC000575699465 435046400 /nfs/dbraw/zinc/04/64/00/435046400.db2.gz FVVCVRUUKDNCJZ-UHFFFAOYSA-N 0 0 308.515 3.187 10 5 DGBERN CCOC(=O)Cc1cc([N+](=O)[O-])c(CC)cc1Br ZINC000575699116 435046446 /nfs/dbraw/zinc/04/64/46/435046446.db2.gz HBXXMLGCVJKRBR-UHFFFAOYSA-N 0 0 316.151 3.025 10 5 DGBERN CCOC(=O)c1cc(CC)cc([N+](=O)[O-])c1Br ZINC000575699346 435046771 /nfs/dbraw/zinc/04/67/71/435046771.db2.gz KCPMEXGQHGIHQI-UHFFFAOYSA-N 0 0 302.124 3.096 10 5 DGBERN COC(=O)c1cc(C)nc(N[C@@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000557468666 435054756 /nfs/dbraw/zinc/05/47/56/435054756.db2.gz KRHVGPBMGOGQNI-JOYOIKCWSA-N 0 0 307.350 3.075 10 5 DGBERN COC(=O)c1cc(C)nc(N(CCC(C)C)C2CC2)c1[N+](=O)[O-] ZINC000557521527 435055905 /nfs/dbraw/zinc/05/59/05/435055905.db2.gz QRISXTMAUGPUGM-UHFFFAOYSA-N 0 0 321.377 3.100 10 5 DGBERN COc1cc(OCCOc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000475879207 435213359 /nfs/dbraw/zinc/21/33/59/435213359.db2.gz CXPZMFVBDZFRGP-UHFFFAOYSA-N 0 0 307.277 3.200 10 5 DGBERN COc1cc(N2CC[C@H](C(F)(F)F)[C@H]2C)ccc1[N+](=O)[O-] ZINC000480552547 435383584 /nfs/dbraw/zinc/38/35/84/435383584.db2.gz OTZZPNTWJURNBG-SCZZXKLOSA-N 0 0 304.268 3.381 10 5 DGBERN COc1ccc(C(C)(C)CNc2ccc([N+](=O)[O-])nc2)cc1 ZINC000568134276 435395427 /nfs/dbraw/zinc/39/54/27/435395427.db2.gz TVTCXDXDLDGQIZ-UHFFFAOYSA-N 0 0 301.346 3.388 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H](C3CCCCC3)C2)n1 ZINC000408199503 301854263 /nfs/dbraw/zinc/85/42/63/301854263.db2.gz SUQASDUILXLAAV-OAHLLOKOSA-N 0 0 305.378 3.084 10 5 DGBERN Cc1cnc(N2CC3(CCCC3)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000408436001 302347636 /nfs/dbraw/zinc/34/76/36/302347636.db2.gz SEXFIDGLNWPVFZ-UHFFFAOYSA-N 0 0 305.378 3.226 10 5 DGBERN CN(C[C@@H]1CC=CCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000543192565 314119718 /nfs/dbraw/zinc/11/97/18/314119718.db2.gz RWEXJDITTUWCFP-CQSZACIVSA-N 0 0 303.362 3.093 10 5 DGBERN O=C1CCN1c1ccc(Nc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000543778972 314157707 /nfs/dbraw/zinc/15/77/07/314157707.db2.gz AJXAMGYRWZQPGJ-UHFFFAOYSA-N 0 0 301.277 3.214 10 5 DGBERN Cc1nc(N2CCC[C@@H](C(F)(F)F)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000547828141 314400154 /nfs/dbraw/zinc/40/01/54/314400154.db2.gz JNRJCGLPFPJBRK-VHSXEESVSA-N 0 0 303.284 3.465 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCO[C@H](C3CC3)C2)cc1C(F)(F)F ZINC000548597730 314458209 /nfs/dbraw/zinc/45/82/09/314458209.db2.gz UYDFDPMNKLCTMX-ZDUSSCGKSA-N 0 0 316.279 3.229 10 5 DGBERN C[C@@H](O)[C@H](C)Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] ZINC000550206852 314531339 /nfs/dbraw/zinc/53/13/39/314531339.db2.gz UIDKUNHUTZETNN-OLZOCXBDSA-N 0 0 301.342 3.334 10 5 DGBERN COC(=O)c1cc(C)nc(N(C)[C@@H]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000561141191 314955814 /nfs/dbraw/zinc/95/58/14/314955814.db2.gz FHNRLTDUJCWMBF-ZYHUDNBSSA-N 0 0 321.377 3.100 10 5 DGBERN COC(=O)c1cc(C)nc(Oc2ccc(C)c(C)c2)c1[N+](=O)[O-] ZINC000567367547 315416885 /nfs/dbraw/zinc/41/68/85/315416885.db2.gz MGUDBICZYZALCS-UHFFFAOYSA-N 0 0 316.313 3.494 10 5 DGBERN Cc1cc(NC(=O)c2scnc2C2CC2)ccc1[N+](=O)[O-] ZINC000182407532 323297790 /nfs/dbraw/zinc/29/77/90/323297790.db2.gz CWKBRSCDZVEFKM-UHFFFAOYSA-N 0 0 303.343 3.489 10 5 DGBERN COc1cccc(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1F ZINC000182425332 323298173 /nfs/dbraw/zinc/29/81/73/323298173.db2.gz LMYDMPNZYIDUBS-UHFFFAOYSA-N 0 0 304.277 3.303 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCc2ccc(F)cc21 ZINC000194656403 323479344 /nfs/dbraw/zinc/47/93/44/323479344.db2.gz ZWQGGTKJMJOUCH-UHFFFAOYSA-N 0 0 315.304 3.030 10 5 DGBERN CC(C)c1nn(C)cc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000582760680 324270616 /nfs/dbraw/zinc/27/06/16/324270616.db2.gz ASYCFDHCEGKIIK-NSHDSACASA-N 0 0 316.361 3.194 10 5 DGBERN CNc1ccc(-c2nc(C3(OC)CCCC3)no2)cc1[N+](=O)[O-] ZINC000582884350 324286888 /nfs/dbraw/zinc/28/68/88/324286888.db2.gz GVTNYXXVBRYGHR-UHFFFAOYSA-N 0 0 318.333 3.102 10 5 DGBERN COc1cccc2c1CCN(c1c(F)cccc1[N+](=O)[O-])CC2 ZINC000584547114 337358394 /nfs/dbraw/zinc/35/83/94/337358394.db2.gz IFYFMWQHZPOBOV-UHFFFAOYSA-N 0 0 316.332 3.348 10 5 DGBERN Cn1ncc([N+](=O)[O-])c1-c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000584641812 337380097 /nfs/dbraw/zinc/38/00/97/337380097.db2.gz ZRHMUDVSNOHHGS-UHFFFAOYSA-N 0 0 318.333 3.342 10 5 DGBERN COC(=O)c1cc(N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)ccc1[N+](=O)[O-] ZINC000301947383 533896115 /nfs/dbraw/zinc/89/61/15/533896115.db2.gz DCUFKQUTCBMOBO-USXIJHARSA-N 0 0 324.336 3.132 10 5 DGBERN CCO[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cn2)C12CCCC2 ZINC000156885336 520408341 /nfs/dbraw/zinc/40/83/41/520408341.db2.gz JPTDDUVKIFMBGN-UONOGXRCSA-N 0 0 305.378 3.164 10 5 DGBERN CC[C@H](C)OCC(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000161755523 521753224 /nfs/dbraw/zinc/75/32/24/521753224.db2.gz DEDKFJVCJPKTDC-NSHDSACASA-N 0 0 317.345 3.205 10 5 DGBERN Cc1cccc2[nH]cc(CCNc3ncc([N+](=O)[O-])s3)c21 ZINC000192450493 534777480 /nfs/dbraw/zinc/77/74/80/534777480.db2.gz QRVGUXVCYNUOKJ-UHFFFAOYSA-N 0 0 302.359 3.496 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000154857943 525564196 /nfs/dbraw/zinc/56/41/96/525564196.db2.gz NLHXKYCAMQGGMV-UHFFFAOYSA-N 0 0 314.345 3.243 10 5 DGBERN O=[N+]([O-])c1cnc(NCCC[C@H]2CCCC[C@H]2O)c(Cl)c1 ZINC000154461834 527409838 /nfs/dbraw/zinc/40/98/38/527409838.db2.gz BRHFXUAOALMFOB-ZWNOBZJWSA-N 0 0 313.785 3.386 10 5 DGBERN CCS[C@@H]1CC[C@@]1(O)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000301477022 529219948 /nfs/dbraw/zinc/21/99/48/529219948.db2.gz BNFQWNGPUYJULT-CHWSQXEVSA-N 0 0 316.810 3.307 10 5 DGBERN Cc1csc([C@@H](C)NC(=S)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000727658972 576137456 /nfs/dbraw/zinc/13/74/56/576137456.db2.gz LJBUACYWBXWSKK-SECBINFHSA-N 0 0 322.415 3.407 10 5 DGBERN CSCCCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000135812229 618017983 /nfs/dbraw/zinc/01/79/83/618017983.db2.gz FGHKFBHSZAPCMD-UHFFFAOYSA-N 0 0 302.783 3.121 10 5 DGBERN COCCC1(C(=O)OCCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000151185064 620428887 /nfs/dbraw/zinc/42/88/87/620428887.db2.gz HSOAGKVFUMRPOZ-UHFFFAOYSA-N 0 0 321.373 3.277 10 5 DGBERN CCC(C)(CC)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000112827401 620856787 /nfs/dbraw/zinc/85/67/87/620856787.db2.gz GNQWYCRHCSYEKF-UHFFFAOYSA-N 0 0 309.322 3.120 10 5 DGBERN CCc1noc(C)c1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000120922935 622057218 /nfs/dbraw/zinc/05/72/18/622057218.db2.gz PJKYJEVWWLECGA-UHFFFAOYSA-N 0 0 309.709 3.359 10 5 DGBERN C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000017908518 622408853 /nfs/dbraw/zinc/40/88/53/622408853.db2.gz PQXSYVXOKVWGAJ-VIFPVBQESA-N 0 0 319.748 3.321 10 5 DGBERN Cc1ccc([C@@H](C)OC(=O)c2cncc(F)c2)cc1[N+](=O)[O-] ZINC000125223350 623397704 /nfs/dbraw/zinc/39/77/04/623397704.db2.gz ZTLZMNYJLHPUDO-SNVBAGLBSA-N 0 0 304.277 3.355 10 5 DGBERN CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(C)C)cc1OC ZINC000127546376 624439340 /nfs/dbraw/zinc/43/93/40/624439340.db2.gz NARXOWSRBIQUMZ-SNVBAGLBSA-N 0 0 311.334 3.203 10 5 DGBERN CC(C)(C)OC(=O)NCCCNc1ccc([N+](=O)[O-])cc1F ZINC000221532781 627219740 /nfs/dbraw/zinc/21/97/40/627219740.db2.gz AYRMMJUMKMSSCL-UHFFFAOYSA-N 0 0 313.329 3.061 10 5 DGBERN CC(C)(C)[C@H](O)COc1cc([N+](=O)[O-])ccc1Br ZINC000302392451 627319754 /nfs/dbraw/zinc/31/97/54/627319754.db2.gz NHFIWKFZDCHNHY-LLVKDONJSA-N 0 0 318.167 3.143 10 5 DGBERN COc1cccc([C@@H]2C[C@@H]2C(=O)Oc2cccc([N+](=O)[O-])c2)c1 ZINC000106591411 631344064 /nfs/dbraw/zinc/34/40/64/631344064.db2.gz QHNZCOFOCWEQLJ-HOTGVXAUSA-N 0 0 313.309 3.313 10 5 DGBERN Cc1c(C(=O)N2C[C@@H](C)CC[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000072544347 660201041 /nfs/dbraw/zinc/20/10/41/660201041.db2.gz ICOSHOSKPUILAY-VHSXEESVSA-N 0 0 321.333 3.072 10 5 DGBERN O=[N+]([O-])c1cnc(NCCC2SCCS2)c(Cl)c1 ZINC000703272924 660774871 /nfs/dbraw/zinc/77/48/71/660774871.db2.gz FXQPDLJQWUCCSP-UHFFFAOYSA-N 0 0 305.812 3.251 10 5 DGBERN O=C(NCC[C@H]1CCSC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000704849065 660822709 /nfs/dbraw/zinc/82/27/09/660822709.db2.gz PXRGWFBZSMEDMN-VIFPVBQESA-N 0 0 314.794 3.121 10 5 DGBERN CC(C)(C)[S@](C)(=O)=NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000710155159 660932223 /nfs/dbraw/zinc/93/22/23/660932223.db2.gz PLKFSAPWCRWBRE-FQEVSTJZSA-N 0 0 318.782 3.285 10 5 DGBERN Cc1cncc(/C=C\C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1 ZINC000254914601 655543239 /nfs/dbraw/zinc/54/32/39/655543239.db2.gz BDUXNTXMRLNLOJ-ACVFHECNSA-N 0 0 323.352 3.289 10 5 DGBERN O=C(/C=C\c1cnc2ccccc2n1)Oc1cccc([N+](=O)[O-])c1 ZINC000255106568 655598938 /nfs/dbraw/zinc/59/89/38/655598938.db2.gz HSAMIBCGGSFSDZ-HJWRWDBZSA-N 0 0 321.292 3.157 10 5 DGBERN COc1ccccc1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000065668357 655853654 /nfs/dbraw/zinc/85/36/54/655853654.db2.gz PAAJVMOHZYNLGO-UHFFFAOYSA-N 0 0 308.240 3.134 10 5 DGBERN CO[C@H]1C[C@H](CNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000714714257 661202355 /nfs/dbraw/zinc/20/23/55/661202355.db2.gz FWFGEUXOBZSKLT-CZMCAQCFSA-N 0 0 315.167 3.194 10 5 DGBERN CC[C@H](NC(=O)[C@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000177797994 655947221 /nfs/dbraw/zinc/94/72/21/655947221.db2.gz HANJRGFBOLGKCM-MNOVXSKESA-N 0 0 317.172 3.356 10 5 DGBERN O=[N+]([O-])c1cc(Cl)c(OCC2(O)CCCCC2)cc1F ZINC000312282077 656124061 /nfs/dbraw/zinc/12/40/61/656124061.db2.gz SCTLJRMHWPPGMP-UHFFFAOYSA-N 0 0 303.717 3.461 10 5 DGBERN Cc1nn(C)c(Cl)c1C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000066878776 656300493 /nfs/dbraw/zinc/30/04/93/656300493.db2.gz NSTVORHDQXWZRL-VIFPVBQESA-N 0 0 323.736 3.208 10 5 DGBERN CN(Cc1ccc(Cl)nc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000074274084 661253041 /nfs/dbraw/zinc/25/30/41/661253041.db2.gz HKWOEUUWUQVTGH-UHFFFAOYSA-N 0 0 320.736 3.307 10 5 DGBERN C[C@@H](OC(=O)[C@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000098161190 657972664 /nfs/dbraw/zinc/97/26/64/657972664.db2.gz VVMGFHJFQDWXEM-GMSGAONNSA-N 0 0 304.129 3.393 10 5 DGBERN O=[N+]([O-])c1cc(F)c(Cl)cc1NCC1CCC(O)CC1 ZINC000227711159 659161188 /nfs/dbraw/zinc/16/11/88/659161188.db2.gz OIGQNJGQTFPMCN-UHFFFAOYSA-N 0 0 302.733 3.350 10 5 DGBERN O=[N+]([O-])c1cc(Cl)c(N2CC[C@H](CCO)C2)c(Cl)c1 ZINC000228852981 659216770 /nfs/dbraw/zinc/21/67/70/659216770.db2.gz KCPNMNLISFOAOD-MRVPVSSYSA-N 0 0 305.161 3.110 10 5 DGBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)OCc1ccoc1 ZINC000170720850 659230063 /nfs/dbraw/zinc/23/00/63/659230063.db2.gz AZFRPRAFSXLYFR-UHFFFAOYSA-N 0 0 304.302 3.123 10 5 DGBERN O=[N+]([O-])c1ccc(Br)cc1NCC[C@H]1CCOC1 ZINC000230102939 659310823 /nfs/dbraw/zinc/31/08/23/659310823.db2.gz HGDDZSNJHXCEQZ-VIFPVBQESA-N 0 0 315.167 3.196 10 5 DGBERN C[C@H](OC(=O)CCc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000175141974 659916443 /nfs/dbraw/zinc/91/64/43/659916443.db2.gz ZAXCPUVVHUJENU-LBPRGKRZSA-N 0 0 300.314 3.227 10 5 DGBERN O=C(N[C@H]1C[C@@H]1c1ccccc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000069286732 659985438 /nfs/dbraw/zinc/98/54/38/659985438.db2.gz IRNCIPPCMOATGU-OCCSQVGLSA-N 0 0 300.289 3.020 10 5 DGBERN CCC[C@@H](CC)OC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000157264706 661866832 /nfs/dbraw/zinc/86/68/32/661866832.db2.gz YDGMRHFMHLKYEF-LLVKDONJSA-N 0 0 311.334 3.104 10 5 DGBERN Cc1cc(C)cc([C@H](O)CSc2ccc([N+](=O)[O-])cn2)c1 ZINC000159174153 661883409 /nfs/dbraw/zinc/88/34/09/661883409.db2.gz DBKOOKLSLXPCPW-CQSZACIVSA-N 0 0 304.371 3.432 10 5 DGBERN O=[N+]([O-])c1ccc(SC[C@H](O)c2cc(F)ccc2F)nc1 ZINC000159191859 661883865 /nfs/dbraw/zinc/88/38/65/661883865.db2.gz ACYPSCVHYYLPAS-LBPRGKRZSA-N 0 0 312.297 3.094 10 5 DGBERN CC(C)Oc1cccnc1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000079387029 662108727 /nfs/dbraw/zinc/10/87/27/662108727.db2.gz KQAUHVJZYZJUPR-UHFFFAOYSA-N 0 0 319.292 3.168 10 5 DGBERN Cc1c(Cn2c3ccccc3nc2[C@H](C)O)cccc1[N+](=O)[O-] ZINC000192834961 662112362 /nfs/dbraw/zinc/11/23/62/662112362.db2.gz 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CC[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])CC(F)(F)F ZINC000402584212 1082157184 /nfs/dbraw/zinc/15/71/84/1082157184.db2.gz WDJMLRIDZPRLRW-ZETCQYMHSA-N 0 0 311.691 3.456 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)C(F)(F)F ZINC000588439676 1082283862 /nfs/dbraw/zinc/28/38/62/1082283862.db2.gz OMYGSTWAQBDFNX-FUOZMLNRSA-N 0 0 303.236 3.492 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccccn1 ZINC000588444838 1082290311 /nfs/dbraw/zinc/29/03/11/1082290311.db2.gz LSZDGPLAPQKWEG-HHQWOOOKSA-N 0 0 311.341 3.271 10 5 DGBERN CC[C@H]1CN(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000588446138 1082293969 /nfs/dbraw/zinc/29/39/69/1082293969.db2.gz JMVJVISCNAOTLP-WQTVUKCASA-N 0 0 320.414 3.352 10 5 DGBERN Cc1cccnc1/C=C\C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000588453120 1082329976 /nfs/dbraw/zinc/32/99/76/1082329976.db2.gz XRXAJAMMAAYHBY-HJWRWDBZSA-N 0 0 323.352 3.291 10 5 DGBERN C/C(=C/C(C)(C)C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000588496691 1082485174 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O=[N+]([O-])c1ccc(N(CCO)Cc2cccc(Cl)c2)cc1 ZINC000302716834 230819977 /nfs/dbraw/zinc/81/99/77/230819977.db2.gz JUQIOQXPRMMCEO-UHFFFAOYSA-N 0 0 306.749 3.247 10 5 DGBERN CC[C@H](NC(=O)C[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000087369831 185222888 /nfs/dbraw/zinc/22/28/88/185222888.db2.gz JXOVVXGCUBDLPZ-GJZGRUSLSA-N 0 0 306.362 3.121 10 5 DGBERN CC[C@H](NC(=O)[C@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000188302458 529550123 /nfs/dbraw/zinc/55/01/23/529550123.db2.gz ONDFHJURILDGKO-JKSUJKDBSA-N 0 0 320.389 3.103 10 5 DGBERN CC[C@H](NC(=O)N[C@H](C)CSC)c1cccc([N+](=O)[O-])c1 ZINC000090584506 185305077 /nfs/dbraw/zinc/30/50/77/185305077.db2.gz KUUYGKQPVXRAAW-MFKMUULPSA-N 0 0 311.407 3.097 10 5 DGBERN Cc1nn(C)c(N2CC[C@@H](c3cc(C)cc(C)c3)C2)c1[N+](=O)[O-] ZINC000302164296 282272051 /nfs/dbraw/zinc/27/20/51/282272051.db2.gz OMROGHQCBAUECR-CQSZACIVSA-N 0 0 314.389 3.247 10 5 DGBERN CCCc1noc(CN[C@@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000181525344 199310530 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O=c1c(Cl)c(Cl)cnn1/C=C/c1ccccc1[N+](=O)[O-] ZINC000084653237 192451324 /nfs/dbraw/zinc/45/13/24/192451324.db2.gz BPHJJTKVSFBDKL-AATRIKPKSA-N 0 0 312.112 3.086 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCO[C@H]2CCCC[C@H]21 ZINC000152688257 186097616 /nfs/dbraw/zinc/09/76/16/186097616.db2.gz IFXFZKWCHUJZLG-KGLIPLIRSA-N 0 0 324.764 3.032 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2ncon2)cc1 ZINC000107092052 432027172 /nfs/dbraw/zinc/02/71/72/432027172.db2.gz JIYSOAJYZLXQSU-UHFFFAOYSA-N 0 0 324.296 3.206 10 5 DGBERN Cc1nnc(CSCc2ccc([N+](=O)[O-])cc2)n1C1CC1 ZINC000131040040 432031968 /nfs/dbraw/zinc/03/19/68/432031968.db2.gz WJDXYWLKOPXNKI-UHFFFAOYSA-N 0 0 304.375 3.263 10 5 DGBERN C[C@@H]1CCC[C@H](NC(=O)CSc2ncccc2[N+](=O)[O-])[C@@H]1C ZINC000067648380 432033427 /nfs/dbraw/zinc/03/34/27/432033427.db2.gz NWTAJWUOSGWREG-UTUOFQBUSA-N 0 0 323.418 3.023 10 5 DGBERN CC[C@H](NC(=O)N1CCS[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176702343 198613047 /nfs/dbraw/zinc/61/30/47/198613047.db2.gz IKBZSCPRPSHDHP-FZMZJTMJSA-N 0 0 323.418 3.193 10 5 DGBERN CCCCn1nccc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000075615361 191501301 /nfs/dbraw/zinc/50/13/01/191501301.db2.gz LVQACWCNPRHSAC-UHFFFAOYSA-N 0 0 308.363 3.214 10 5 DGBERN COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccccc1 ZINC000005879777 181292371 /nfs/dbraw/zinc/29/23/71/181292371.db2.gz RARCORPDWXUKSN-UHFFFAOYSA-N 0 0 303.343 3.412 10 5 DGBERN COc1cc([N+](=O)[O-])ccc1OCCCC(=O)OC(C)(C)C ZINC000186583439 199977455 /nfs/dbraw/zinc/97/74/55/199977455.db2.gz NSCKERZOTBCPSD-UHFFFAOYSA-N 0 0 311.334 3.104 10 5 DGBERN Cc1nc([C@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000186995450 200044951 /nfs/dbraw/zinc/04/49/51/200044951.db2.gz ZQCDRGZRHYLZJM-CQSZACIVSA-N 0 0 317.370 3.337 10 5 DGBERN Cc1ccc([C@H](C)N[C@H](C)c2nccnc2C)cc1[N+](=O)[O-] ZINC000188225096 200211745 /nfs/dbraw/zinc/21/17/45/200211745.db2.gz QXCOYSGPEORWAY-WCQYABFASA-N 0 0 300.362 3.413 10 5 DGBERN O=C(NCc1ccccc1[N+](=O)[O-])C1(c2ccc(F)cc2)CC1 ZINC000046149415 283559681 /nfs/dbraw/zinc/55/96/81/283559681.db2.gz XZOXMXPFVVBZSX-UHFFFAOYSA-N 0 0 314.316 3.082 10 5 DGBERN COc1cc(C(=O)N(C)Cc2ccc(C)o2)cc([N+](=O)[O-])c1C ZINC000190562108 200558186 /nfs/dbraw/zinc/55/81/86/200558186.db2.gz OOJVMFYDVNBXQZ-UHFFFAOYSA-N 0 0 318.329 3.085 10 5 DGBERN CCOc1cc(C)ccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000055617977 283623117 /nfs/dbraw/zinc/62/31/17/283623117.db2.gz ZYHQORYCXSBFLL-UHFFFAOYSA-N 0 0 315.329 3.258 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)c2c[nH]nc2C(C)C)cc1[N+](=O)[O-] ZINC000193675699 201100923 /nfs/dbraw/zinc/10/09/23/201100923.db2.gz HGVMYPFANMZPOX-NSHDSACASA-N 0 0 316.361 3.241 10 5 DGBERN Cc1csc([C@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000444678338 239321338 /nfs/dbraw/zinc/32/13/38/239321338.db2.gz WGUCJFKFRVXQAY-VIFPVBQESA-N 0 0 317.374 3.087 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(F)cc(F)c1 ZINC000103377831 284029408 /nfs/dbraw/zinc/02/94/08/284029408.db2.gz WSNOLARNRSPBFT-VIFPVBQESA-N 0 0 318.279 3.464 10 5 DGBERN C[C@H](NC(=O)N1CCCC12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000458893615 243192178 /nfs/dbraw/zinc/19/21/78/243192178.db2.gz WJZHNCSCCOOMCO-LBPRGKRZSA-N 0 0 303.362 3.384 10 5 DGBERN CC1(C)CCCC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000468235998 244029054 /nfs/dbraw/zinc/02/90/54/244029054.db2.gz UIQGTEJQGQZISH-OAHLLOKOSA-N 0 0 319.405 3.339 10 5 DGBERN CSCCCCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000094157860 193347087 /nfs/dbraw/zinc/34/70/87/193347087.db2.gz MRGURMAWMAPRFX-UHFFFAOYSA-N 0 0 310.419 3.393 10 5 DGBERN Cc1c(CNC(=O)N(C)C[C@H]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000480070596 244696787 /nfs/dbraw/zinc/69/67/87/244696787.db2.gz OYCWMEUEGVNCDO-AWEZNQCLSA-N 0 0 317.389 3.401 10 5 DGBERN CC(C)[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000124542867 284261195 /nfs/dbraw/zinc/26/11/95/284261195.db2.gz KDHPVGRGYBUVGU-QMMMGPOBSA-N 0 0 304.268 3.388 10 5 DGBERN COc1ccc(C(=O)Nc2nc(C(C)C)cs2)cc1[N+](=O)[O-] ZINC000010637851 181675424 /nfs/dbraw/zinc/67/54/24/181675424.db2.gz 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CC(=O)c1sc2nc(-c3cccc([N+](=O)[O-])c3)cn2c1C ZINC000041005682 183155892 /nfs/dbraw/zinc/15/58/92/183155892.db2.gz MKNWZDOICDGKHF-UHFFFAOYSA-N 0 0 301.327 3.482 10 5 DGBERN CCOc1ccc([C@@H](C)NCc2cscn2)cc1[N+](=O)[O-] ZINC000153408950 284670233 /nfs/dbraw/zinc/67/02/33/284670233.db2.gz RFWOSFRFCDUGJL-SNVBAGLBSA-N 0 0 307.375 3.301 10 5 DGBERN COc1ccc2[nH]c(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2c1 ZINC000170217632 284719929 /nfs/dbraw/zinc/71/99/29/284719929.db2.gz IWYNKUASQBGWNX-UHFFFAOYSA-N 0 0 311.297 3.337 10 5 DGBERN COCCc1noc(CS[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000105636875 194117283 /nfs/dbraw/zinc/11/72/83/194117283.db2.gz HSIUPTQFNATPFK-JTQLQIEISA-N 0 0 323.374 3.161 10 5 DGBERN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000110443462 194330298 /nfs/dbraw/zinc/33/02/98/194330298.db2.gz AVADHYHIBFMTCK-RDJZCZTQSA-N 0 0 310.353 3.057 10 5 DGBERN CSc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000056354398 184011075 /nfs/dbraw/zinc/01/10/75/184011075.db2.gz 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285119108 /nfs/dbraw/zinc/11/91/08/285119108.db2.gz MTJPDPRSKIVZBQ-UHFFFAOYSA-N 0 0 319.311 3.200 10 5 DGBERN O[C@H]1c2cc3ccc4cccc5ccc(c3c45)c2[C@H]2O[C@H]2[C@H]1O ZINC000005845931 285372004 /nfs/dbraw/zinc/37/20/04/285372004.db2.gz DQEPMTIXHXSFOR-HAGHYFMRSA-N 0 0 302.329 3.432 10 5 DGBERN COc1cccc(C(=O)NC/C=C\c2ccccc2)c1[N+](=O)[O-] ZINC000435865225 533405518 /nfs/dbraw/zinc/40/55/18/533405518.db2.gz OZUDEURZUPQPFR-TWGQIWQCSA-N 0 0 312.325 3.047 10 5 DGBERN C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000301669555 533566980 /nfs/dbraw/zinc/56/69/80/533566980.db2.gz YIOHLWIUHSIHHX-GFCCVEGCSA-N 0 0 309.329 3.349 10 5 DGBERN C[C@@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000156004215 533666584 /nfs/dbraw/zinc/66/65/84/533666584.db2.gz WBPVOYDBQWAHHD-LLVKDONJSA-N 0 0 301.346 3.338 10 5 DGBERN O=[N+]([O-])c1cnc(N2CC[C@H]3CCC[C@H]32)c(Br)c1 ZINC000408363306 296520572 /nfs/dbraw/zinc/52/05/72/296520572.db2.gz VYBMJYPSGDNPJX-LDYMZIIASA-N 0 0 312.167 3.131 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(Nc2cnn(CC(C)C)c2)c1 ZINC000092658400 400191329 /nfs/dbraw/zinc/19/13/29/400191329.db2.gz PZINTGFXCJOHTC-UHFFFAOYSA-N 0 0 308.313 3.339 10 5 DGBERN CC[C@H](NC(=O)C1C[C@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000094089101 400268510 /nfs/dbraw/zinc/26/85/10/400268510.db2.gz XLVXTEQTDYWNLR-MKBNYLNASA-N 0 0 320.389 3.366 10 5 DGBERN CC(C)Cn1ccnc(Oc2ccc(Cl)cc2[N+](=O)[O-])c1=O ZINC000094132282 400269113 /nfs/dbraw/zinc/26/91/13/400269113.db2.gz DTNKXAKRQASDEI-UHFFFAOYSA-N 0 0 323.736 3.253 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)c1ccncc1 ZINC000610530335 400273019 /nfs/dbraw/zinc/27/30/19/400273019.db2.gz GWCXMBAAVQVCRO-LBPRGKRZSA-N 0 0 314.345 3.223 10 5 DGBERN O=[N+]([O-])c1cc(F)cc(Br)c1OC(F)(F)F ZINC000396052825 400281775 /nfs/dbraw/zinc/28/17/75/400281775.db2.gz HPWXXELADHOXDZ-UHFFFAOYSA-N 0 0 303.993 3.395 10 5 DGBERN CCN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000589696072 400323342 /nfs/dbraw/zinc/32/33/42/400323342.db2.gz 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400429300 /nfs/dbraw/zinc/42/93/00/400429300.db2.gz APCNWMJDMPMAAB-LBPRGKRZSA-N 0 0 319.386 3.246 10 5 DGBERN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)c1nccs1 ZINC000130631041 400541260 /nfs/dbraw/zinc/54/12/60/400541260.db2.gz SNCUCUDLGNKBAG-GFCCVEGCSA-N 0 0 305.359 3.241 10 5 DGBERN O=[N+]([O-])c1ccc(Br)c([C@H](O)c2ccccc2)c1 ZINC000142591077 400631064 /nfs/dbraw/zinc/63/10/64/400631064.db2.gz CMJAWXOSAGCYRS-CYBMUJFWSA-N 0 0 308.131 3.439 10 5 DGBERN O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000591990247 400592838 /nfs/dbraw/zinc/59/28/38/400592838.db2.gz ICWOFRCNRINXDR-FXBDTBDDSA-N 0 0 312.167 3.353 10 5 DGBERN CC(=O)CCCc1cn([C@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603251356 400660864 /nfs/dbraw/zinc/66/08/64/400660864.db2.gz OLQGRPHLEAVTIH-CYBMUJFWSA-N 0 0 316.361 3.016 10 5 DGBERN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1C1CCCCC1 ZINC000151355554 400672396 /nfs/dbraw/zinc/67/23/96/400672396.db2.gz OKZYJJMNSVVDLQ-LSDHHAIUSA-N 0 0 302.374 3.427 10 5 DGBERN 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Cc1cc2cc(NC(=O)c3cc([N+](=O)[O-])cnc3C)ccc2[nH]1 ZINC000192472197 165293223 /nfs/dbraw/zinc/29/32/23/165293223.db2.gz RFAOONLGMGLJIA-UHFFFAOYSA-N 0 0 310.313 3.340 10 5 DGBERN Nc1ccc([N+](=O)[O-])c(N2CCC[C@H](c3nccs3)C2)c1 ZINC000192786815 165306034 /nfs/dbraw/zinc/30/60/34/165306034.db2.gz OZEACJZMFZQIDL-JTQLQIEISA-N 0 0 304.375 3.018 10 5 DGBERN CO[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC[C@@H]1C ZINC000190406440 432154405 /nfs/dbraw/zinc/15/44/05/432154405.db2.gz XCCUKIIDMDWIHR-BONVTDFDSA-N 0 0 321.377 3.100 10 5 DGBERN CC(C)Cn1ccnc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000171844616 432177557 /nfs/dbraw/zinc/17/75/57/432177557.db2.gz BIDZNGMQQQQBBZ-UHFFFAOYSA-N 0 0 322.752 3.353 10 5 DGBERN C[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000182294540 432175433 /nfs/dbraw/zinc/17/54/33/432175433.db2.gz WNTLBDMAOLDZDU-JTQLQIEISA-N 0 0 318.304 3.313 10 5 DGBERN O=[N+]([O-])c1cnn(Cc2ncc(-c3ccccc3Cl)o2)c1 ZINC000150871120 432198971 /nfs/dbraw/zinc/19/89/71/432198971.db2.gz 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CCOCCC1(CNC(=O)c2ccc([N+](=O)[O-])cc2C)CCC1 ZINC000132790591 196283797 /nfs/dbraw/zinc/28/37/97/196283797.db2.gz ISRCDCMSTGYOLU-UHFFFAOYSA-N 0 0 320.389 3.230 10 5 DGBERN Cc1ccc(C(=O)Nc2cc(C3CC3)nc(C)n2)cc1[N+](=O)[O-] ZINC000159854295 228243356 /nfs/dbraw/zinc/24/33/56/228243356.db2.gz SZRNBFIBDDVJSE-UHFFFAOYSA-N 0 0 312.329 3.131 10 5 DGBERN O=[N+]([O-])c1ccc(CN2CCO[C@@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000182067919 228365093 /nfs/dbraw/zinc/36/50/93/228365093.db2.gz JTKKNBMABMCXDD-LSDHHAIUSA-N 0 0 310.781 3.392 10 5 DGBERN Cc1ccc([C@@H](C)Nc2ccc3ncc([N+](=O)[O-])n3n2)cc1F ZINC000301968028 230008858 /nfs/dbraw/zinc/00/88/58/230008858.db2.gz PDPXCAVZEWIDEX-SNVBAGLBSA-N 0 0 315.308 3.258 10 5 DGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000302019618 230039611 /nfs/dbraw/zinc/03/96/11/230039611.db2.gz DOGIEKNZMYHYCY-PBHICJAKSA-N 0 0 314.341 3.029 10 5 DGBERN C[C@H](C[C@H](O)c1cccs1)Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302073977 230081834 /nfs/dbraw/zinc/08/18/34/230081834.db2.gz WZIFGSVLLKQVFX-YGRLFVJLSA-N 0 0 322.386 3.073 10 5 DGBERN CC[C@H](NC(=O)C(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000194384472 263812608 /nfs/dbraw/zinc/81/26/08/263812608.db2.gz PBPCVHIDVHVXLD-HNNXBMFYSA-N 0 0 312.325 3.045 10 5 DGBERN Cc1ccnc(C2CCN(c3cccc(C)c3[N+](=O)[O-])CC2)n1 ZINC000368725139 271198937 /nfs/dbraw/zinc/19/89/37/271198937.db2.gz RQKXCTBUYLNXBU-UHFFFAOYSA-N 0 0 312.373 3.386 10 5 DGBERN O=C(Cc1cnc2ccccc2c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000191347646 432252982 /nfs/dbraw/zinc/25/29/82/432252982.db2.gz PRBMRAIUMCHDLO-UHFFFAOYSA-N 0 0 307.309 3.324 10 5 DGBERN Cc1cccc(O)c1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000183046961 432253456 /nfs/dbraw/zinc/25/34/56/432253456.db2.gz LSQKGBBYGZRCGW-UHFFFAOYSA-N 0 0 311.297 3.342 10 5 DGBERN CCOC(=O)c1nc2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1 ZINC000095918494 276303681 /nfs/dbraw/zinc/30/36/81/276303681.db2.gz ZTGLWVNCHUYUSI-UHFFFAOYSA-N 0 0 320.248 3.400 10 5 DGBERN CCc1ccc([C@@H](C)NC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000124550889 276669941 /nfs/dbraw/zinc/66/99/41/276669941.db2.gz NYSDOEOEXDGLPO-LLVKDONJSA-N 0 0 314.345 3.435 10 5 DGBERN C[C@@H]1COCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000277287887 278852590 /nfs/dbraw/zinc/85/25/90/278852590.db2.gz ADMZMJLABJYUNR-KCJUWKMLSA-N 0 0 315.167 3.194 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccccc1F ZINC000103377608 279013022 /nfs/dbraw/zinc/01/30/22/279013022.db2.gz CYAYCYKZTGRVOX-SNVBAGLBSA-N 0 0 300.289 3.325 10 5 DGBERN COc1ccc(Cc2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000001665963 431237356 /nfs/dbraw/zinc/23/73/56/431237356.db2.gz TXNDLDSVXWNAQG-UHFFFAOYSA-N 0 0 318.285 3.111 10 5 DGBERN O=C1c2ccccc2N[C@H](c2ccc([N+](=O)[O-])cc2)N1C1CC1 ZINC000007889706 431368417 /nfs/dbraw/zinc/36/84/17/431368417.db2.gz KUZPAWPQXSSSMW-INIZCTEOSA-N 0 0 309.325 3.324 10 5 DGBERN Cc1sc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000113892955 431365506 /nfs/dbraw/zinc/36/55/06/431365506.db2.gz ISKORMYFGGKIAE-LLVKDONJSA-N 0 0 320.374 3.055 10 5 DGBERN COc1ccc(CN2CCCC[C@@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000114483080 431392629 /nfs/dbraw/zinc/39/26/29/431392629.db2.gz NXVNMTOSUGSUNU-CQSZACIVSA-N 0 0 316.361 3.054 10 5 DGBERN O=C([O-])[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC12CCCCC2 ZINC000008698622 431406054 /nfs/dbraw/zinc/40/60/54/431406054.db2.gz XMYBPLKJINZODR-OAHLLOKOSA-N 0 0 318.373 3.062 10 5 DGBERN CCc1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000074826983 431439382 /nfs/dbraw/zinc/43/93/82/431439382.db2.gz RSSBMNCXGXXMDW-UHFFFAOYSA-N 0 0 300.314 3.424 10 5 DGBERN Cc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000116042345 431481494 /nfs/dbraw/zinc/48/14/94/431481494.db2.gz OFTVPMBKYWYHMR-CYBMUJFWSA-N 0 0 300.314 3.474 10 5 DGBERN CS[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000117224328 431555340 /nfs/dbraw/zinc/55/53/40/431555340.db2.gz DYKLACCFFBIDPI-UWVGGRQHSA-N 0 0 314.432 3.369 10 5 DGBERN O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2ccc([N+](=O)[O-])cc12 ZINC000013738747 431567430 /nfs/dbraw/zinc/56/74/30/431567430.db2.gz FPLQIUAPEQSTCP-UHFFFAOYSA-N 0 0 312.237 3.276 10 5 in-vivo DGBERN Cc1sc(C(=O)N2CCOc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000118278819 431596017 /nfs/dbraw/zinc/59/60/17/431596017.db2.gz OZLGXUOWCRANEU-UHFFFAOYSA-N 0 0 322.317 3.143 10 5 DGBERN Cc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)ccc1Cl ZINC000006189025 280541323 /nfs/dbraw/zinc/54/13/23/280541323.db2.gz QXCXOFSEYFUOBV-UHFFFAOYSA-N 0 0 316.700 3.357 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1O[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000122167411 431816577 /nfs/dbraw/zinc/81/65/77/431816577.db2.gz WAVGIJALKJDZLF-VIFPVBQESA-N 0 0 321.333 3.424 10 5 DGBERN C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000121289527 431766262 /nfs/dbraw/zinc/76/62/62/431766262.db2.gz QSRIZSKEIQCQKB-NWDGAFQWSA-N 0 0 313.357 3.404 10 5 DGBERN O=C1CCCN1c1ccc(NCc2csc([N+](=O)[O-])c2)cc1 ZINC000123471947 431866038 /nfs/dbraw/zinc/86/60/38/431866038.db2.gz VCKVYGDVTHBOPH-UHFFFAOYSA-N 0 0 317.370 3.395 10 5 DGBERN CC(C)COC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000124991074 431909919 /nfs/dbraw/zinc/90/99/19/431909919.db2.gz ROJFLZLMDDWTPK-UHFFFAOYSA-N 0 0 324.352 3.011 10 5 DGBERN C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000124691723 431901518 /nfs/dbraw/zinc/90/15/18/431901518.db2.gz BKKVRYXSKIVPJJ-QMMMGPOBSA-N 0 0 322.271 3.151 10 5 DGBERN Cc1cc([N+](=O)[O-])cn(Cc2ccc(C(C)(C)C)cc2)c1=O ZINC000096778356 431956571 /nfs/dbraw/zinc/95/65/71/431956571.db2.gz HXCDPKIGMPQFAD-UHFFFAOYSA-N 0 0 300.358 3.411 10 5 DGBERN O=C(NC1CC1)c1ccccc1NCc1ccccc1[N+](=O)[O-] ZINC000126827189 431958771 /nfs/dbraw/zinc/95/87/71/431958771.db2.gz UZNONVBOYJBYFX-UHFFFAOYSA-N 0 0 311.341 3.099 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@H](c2ccccc2)C1 ZINC000183251644 432274592 /nfs/dbraw/zinc/27/45/92/432274592.db2.gz RJOGRVRJDXWSHY-SFHVURJKSA-N 0 0 312.369 3.477 10 5 DGBERN CN(Cc1ccc(F)cc1Cl)c1ncc([N+](=O)[O-])s1 ZINC000192452059 432376912 /nfs/dbraw/zinc/37/69/12/432376912.db2.gz XZJFKRLTERVJHU-UHFFFAOYSA-N 0 0 301.730 3.480 10 5 DGBERN O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(C(F)F)cc1 ZINC000184573089 432406556 /nfs/dbraw/zinc/40/65/56/432406556.db2.gz YBQTZKNEHSJOCY-UHFFFAOYSA-N 0 0 320.295 3.391 10 5 DGBERN Cn1cc(-c2cc(CSc3ccc([N+](=O)[O-])cc3)on2)cn1 ZINC000184113526 432357330 /nfs/dbraw/zinc/35/73/30/432357330.db2.gz BJNXRSZFZNDIBP-UHFFFAOYSA-N 0 0 316.342 3.276 10 5 DGBERN Cc1nc(NC(=O)C/C=C\c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000255106160 432408414 /nfs/dbraw/zinc/40/84/14/432408414.db2.gz ZAEBIXSUGCOFJL-HYXAFXHYSA-N 0 0 315.304 3.479 10 5 DGBERN CCc1cccc(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000154125437 432475595 /nfs/dbraw/zinc/47/55/95/432475595.db2.gz UKTLQFAJQWKTDT-UHFFFAOYSA-N 0 0 314.341 3.347 10 5 DGBERN CCC(C)(C)NC(=O)CSc1ccc([N+](=O)[O-])cc1F ZINC000193503759 432477540 /nfs/dbraw/zinc/47/75/40/432477540.db2.gz SNHZSHSFONORRC-UHFFFAOYSA-N 0 0 300.355 3.131 10 5 DGBERN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000193642934 432488766 /nfs/dbraw/zinc/48/87/66/432488766.db2.gz WRYUYRGGYBWIOL-RYUDHWBXSA-N 0 0 317.345 3.174 10 5 DGBERN CCc1onc(C)c1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000193679349 432489577 /nfs/dbraw/zinc/48/95/77/432489577.db2.gz NRNMXGRMBNTCBX-UHFFFAOYSA-N 0 0 303.318 3.323 10 5 DGBERN O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000193938290 432510267 /nfs/dbraw/zinc/51/02/67/432510267.db2.gz NQVKRKIDPWLELT-ZDUSSCGKSA-N 0 0 317.301 3.433 10 5 DGBERN Cc1ccc(OC[C@H](O)COc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000154064127 432468220 /nfs/dbraw/zinc/46/82/20/432468220.db2.gz RVBZEWOCNVXTIC-AWEZNQCLSA-N 0 0 317.341 3.030 10 5 DGBERN CCCN(C(=O)[C@H]1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000194134487 432526503 /nfs/dbraw/zinc/52/65/03/432526503.db2.gz CFQVKXCPEATWLS-DOMZBBRYSA-N 0 0 306.362 3.010 10 5 DGBERN CCCN(C(=O)[C@@H]1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000194134474 432527092 /nfs/dbraw/zinc/52/70/92/432527092.db2.gz CFQVKXCPEATWLS-IUODEOHRSA-N 0 0 306.362 3.010 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1CNc1nnc(CC(C)(C)C)o1 ZINC000185902820 432544901 /nfs/dbraw/zinc/54/49/01/432544901.db2.gz BWWHEBPZSGCMNT-UHFFFAOYSA-N 0 0 304.350 3.487 10 5 DGBERN COc1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000155687275 432568159 /nfs/dbraw/zinc/56/81/59/432568159.db2.gz LOXOGMFDDULGNV-UHFFFAOYSA-N 0 0 310.306 3.365 10 5 DGBERN CCCc1[nH]nc(C(=O)Nc2ccc3cc[nH]c3c2)c1[N+](=O)[O-] ZINC000194863920 432582955 /nfs/dbraw/zinc/58/29/55/432582955.db2.gz DILIDSXDOHXDKG-UHFFFAOYSA-N 0 0 313.317 3.004 10 5 DGBERN CC(C)(C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000155966170 432584495 /nfs/dbraw/zinc/58/44/95/432584495.db2.gz LOAKAFTVKYROJL-UHFFFAOYSA-N 0 0 318.304 3.356 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000194877107 432584612 /nfs/dbraw/zinc/58/46/12/432584612.db2.gz VWWQQUKVFZBDHC-UHFFFAOYSA-N 0 0 319.748 3.224 10 5 DGBERN Cc1c(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccn1C ZINC000195299263 432617537 /nfs/dbraw/zinc/61/75/37/432617537.db2.gz AXCZNMHDBJWADS-NSHDSACASA-N 0 0 301.346 3.041 10 5 DGBERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000158538099 432650391 /nfs/dbraw/zinc/65/03/91/432650391.db2.gz ZHVNGZUBRQREGL-BZNIZROVSA-N 0 0 312.325 3.122 10 5 DGBERN CC[C@@H](NC(=O)c1cccc2c[nH]nc21)c1cccc([N+](=O)[O-])c1 ZINC000177812089 432664758 /nfs/dbraw/zinc/66/47/58/432664758.db2.gz JQKVXHMKXDPUDE-OAHLLOKOSA-N 0 0 324.340 3.352 10 5 DGBERN Cc1cc(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000225737080 432696147 /nfs/dbraw/zinc/69/61/47/432696147.db2.gz UTYREBJIEFLVDO-ZDUSSCGKSA-N 0 0 321.377 3.325 10 5 DGBERN O=[N+]([O-])c1cc(Cl)c(NC[C@H]2CCC[C@H]2O)c(Cl)c1 ZINC000226742444 432707864 /nfs/dbraw/zinc/70/78/64/432707864.db2.gz LHTBGLJXLFBJKE-RDDDGLTNSA-N 0 0 305.161 3.475 10 5 DGBERN CO[C@H]1CN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000187745854 432681444 /nfs/dbraw/zinc/68/14/44/432681444.db2.gz PQEJIVTVKNOJNC-LRDDRELGSA-N 0 0 320.389 3.215 10 5 DGBERN COC(=O)c1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])cc1 ZINC000178832886 432780900 /nfs/dbraw/zinc/78/09/00/432780900.db2.gz MHXRYBQZFOFSLF-UHFFFAOYSA-N 0 0 321.720 3.042 10 5 DGBERN O=[N+]([O-])c1cnc(NC[C@@H](CCO)c2ccccc2)c(Cl)c1 ZINC000265844999 432738416 /nfs/dbraw/zinc/73/84/16/432738416.db2.gz OOGVYMZRWJSCFG-GFCCVEGCSA-N 0 0 321.764 3.221 10 5 DGBERN C[C@H](C(=O)N1CCCC12CCC2)c1ccc([N+](=O)[O-])cc1F ZINC000373064115 433084999 /nfs/dbraw/zinc/08/49/99/433084999.db2.gz SZNCWTJUALFESX-NSHDSACASA-N 0 0 306.337 3.383 10 5 DGBERN CCOc1ccc(C(=O)N2CCCC23CCC3)cc1[N+](=O)[O-] ZINC000373068523 433085210 /nfs/dbraw/zinc/08/52/10/433085210.db2.gz FVGMUARLKFOZBP-UHFFFAOYSA-N 0 0 304.346 3.152 10 5 DGBERN O=C(CN1CCCC12CCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000373103685 433092519 /nfs/dbraw/zinc/09/25/19/433092519.db2.gz IKGHLAXQZXWLRC-UHFFFAOYSA-N 0 0 323.780 3.205 10 5 DGBERN C[C@@H]1CCOCCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000375006437 433334846 /nfs/dbraw/zinc/33/48/46/433334846.db2.gz WZKJHRUZKMYQON-GFCCVEGCSA-N 0 0 320.389 3.143 10 5 DGBERN CC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000342066158 433446157 /nfs/dbraw/zinc/44/61/57/433446157.db2.gz SMTVJMYPBDHUQT-LLVKDONJSA-N 0 0 312.325 3.288 10 5 DGBERN O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CCN(c2ccccc2)C1 ZINC000301207512 433451308 /nfs/dbraw/zinc/45/13/08/433451308.db2.gz UGICNMAZGSZCMG-CYBMUJFWSA-N 0 0 301.321 3.425 10 5 DGBERN Cc1cc(NCCCc2nc(C(C)C)no2)ccc1[N+](=O)[O-] ZINC000301225763 433459290 /nfs/dbraw/zinc/45/92/90/433459290.db2.gz GFIWYGRWWKNTFR-UHFFFAOYSA-N 0 0 304.350 3.454 10 5 DGBERN Cc1nc(C)c(NC(=O)NCc2cccc([N+](=O)[O-])c2C)s1 ZINC000361981552 433478397 /nfs/dbraw/zinc/47/83/97/433478397.db2.gz GRGIREDHQRAYRX-UHFFFAOYSA-N 0 0 320.374 3.298 10 5 DGBERN Cc1nn(C)c(NCc2ccccc2OC2CCC2)c1[N+](=O)[O-] ZINC000301269593 433482669 /nfs/dbraw/zinc/48/26/69/433482669.db2.gz GPFPYFVFAKCYLM-UHFFFAOYSA-N 0 0 316.361 3.180 10 5 DGBERN CC(C)CC[C@@](C)(O)CNc1ncc([N+](=O)[O-])cc1Cl ZINC000301341402 433513362 /nfs/dbraw/zinc/51/33/62/433513362.db2.gz IEIVSSCNKDIGQF-CYBMUJFWSA-N 0 0 301.774 3.242 10 5 DGBERN COC(=O)/C=C/c1ccc(N[C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000301354108 433518966 /nfs/dbraw/zinc/51/89/66/433518966.db2.gz XGLXQXGRLCBOSF-AORWBKJGSA-N 0 0 302.330 3.302 10 5 DGBERN Cc1cc(N2CCC[C@H](c3nccs3)C2)ncc1[N+](=O)[O-] ZINC000301432361 433554518 /nfs/dbraw/zinc/55/45/18/433554518.db2.gz KJSGVGNYWJTHAJ-NSHDSACASA-N 0 0 304.375 3.139 10 5 DGBERN Cc1csc([C@H]2CCCN(c3cc(C)c([N+](=O)[O-])cn3)C2)n1 ZINC000301458277 433564054 /nfs/dbraw/zinc/56/40/54/433564054.db2.gz XQVOEESMJGYJDY-LBPRGKRZSA-N 0 0 318.402 3.447 10 5 DGBERN CCS[C@H]1CC[C@]1(O)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000301496096 433579983 /nfs/dbraw/zinc/57/99/83/433579983.db2.gz TUSJALXVWGYQSY-STQMWFEESA-N 0 0 316.810 3.307 10 5 DGBERN COC(=O)c1cc(N[C@H](C)c2ncc(C)s2)ccc1[N+](=O)[O-] ZINC000301586814 433627129 /nfs/dbraw/zinc/62/71/29/433627129.db2.gz WGAVCFGRYQXDMV-SECBINFHSA-N 0 0 321.358 3.319 10 5 DGBERN O=C1CCc2cc([N+](=O)[O-])c(N3CCCC34CCC4)cc2N1 ZINC000373886332 293327738 /nfs/dbraw/zinc/32/77/38/293327738.db2.gz SIQKEQRRHCJVHL-UHFFFAOYSA-N 0 0 301.346 3.002 10 5 DGBERN Cc1ccc(NCCC(=O)Nc2cccc(C)n2)c([N+](=O)[O-])c1 ZINC000301834486 433750867 /nfs/dbraw/zinc/75/08/67/433750867.db2.gz VUQVCPMSKQAJOD-UHFFFAOYSA-N 0 0 314.345 3.047 10 5 DGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(OCC(C)C)CC1 ZINC000283737257 433768252 /nfs/dbraw/zinc/76/82/52/433768252.db2.gz IQWJNMIJWJERNZ-UHFFFAOYSA-N 0 0 320.389 3.439 10 5 DGBERN CCNC(=O)c1cccc(CNc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000302818849 433869608 /nfs/dbraw/zinc/86/96/08/433869608.db2.gz NPDMCUQYGWCMIY-UHFFFAOYSA-N 0 0 317.320 3.096 10 5 DGBERN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H]1C ZINC000505782707 294253905 /nfs/dbraw/zinc/25/39/05/294253905.db2.gz OBHVEYWZZWOGCQ-MNOVXSKESA-N 0 0 308.403 3.483 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CC2)CC1 ZINC000363774398 434139349 /nfs/dbraw/zinc/13/93/49/434139349.db2.gz GQCOXUGFYXKQJI-OUKQBFOZSA-N 0 0 300.358 3.401 10 5 DGBERN CC(C)C[C@@H](Nc1ccc([N+](=O)[O-])nc1)C(=O)OC(C)(C)C ZINC000450404678 434156825 /nfs/dbraw/zinc/15/68/25/434156825.db2.gz CTDHZHMIWLIEPD-GFCCVEGCSA-N 0 0 309.366 3.158 10 5 DGBERN CCN1C(=O)CCc2cc(Nc3ccc([N+](=O)[O-])nc3)ccc21 ZINC000450440405 434187316 /nfs/dbraw/zinc/18/73/16/434187316.db2.gz QLSYAVWTEYKKTJ-UHFFFAOYSA-N 0 0 312.329 3.033 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(SCCCSC)c1 ZINC000319630463 434223132 /nfs/dbraw/zinc/22/31/32/434223132.db2.gz NBRJYGMMVBFTSK-UHFFFAOYSA-N 0 0 301.389 3.227 10 5 DGBERN O=[N+]([O-])c1cnc(N[C@@H]2CC23CCCC3)c(Br)c1 ZINC000386886097 434316720 /nfs/dbraw/zinc/31/67/20/434316720.db2.gz JIKCAOUSQNOWDK-SNVBAGLBSA-N 0 0 312.167 3.497 10 5 DGBERN O=C(NCCC1(F)CCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000360221654 434552580 /nfs/dbraw/zinc/55/25/80/434552580.db2.gz OAQHHTWTIOEPPZ-UHFFFAOYSA-N 0 0 300.717 3.260 10 5 DGBERN COc1cccc(C(=O)Nc2nc(C(C)C)cs2)c1[N+](=O)[O-] ZINC000193901363 295288780 /nfs/dbraw/zinc/28/87/80/295288780.db2.gz KZEMYBVKCGAKLN-UHFFFAOYSA-N 0 0 321.358 3.436 10 5 DGBERN CCc1nc(C(C)(C)NCc2c(Cl)cccc2[N+](=O)[O-])no1 ZINC000441279251 434763010 /nfs/dbraw/zinc/76/30/10/434763010.db2.gz QUTVLMUDPAVJMV-UHFFFAOYSA-N 0 0 324.768 3.219 10 5 DGBERN C/C(=C\c1nc([C@H]2CCCOC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445528270 434809410 /nfs/dbraw/zinc/80/94/10/434809410.db2.gz KXRXWZNUFPNEFF-STRFDMGBSA-N 0 0 315.329 3.432 10 5 DGBERN O=[N+]([O-])c1cccc(/C=C\c2nc(-c3cncs3)no2)c1 ZINC000445584410 434814136 /nfs/dbraw/zinc/81/41/36/434814136.db2.gz RLZVJLOAZFFLMP-PLNGDYQASA-N 0 0 300.299 3.272 10 5 DGBERN CC(=O)c1c(Br)c(OC(F)F)ccc1[N+](=O)[O-] ZINC000575682917 435044047 /nfs/dbraw/zinc/04/40/47/435044047.db2.gz GGUTYKUVPGBLMP-UHFFFAOYSA-N 0 0 310.050 3.161 10 5 DGBERN CCOc1cc(I)c([N+](=O)[O-])cc1CC ZINC000575694404 435045208 /nfs/dbraw/zinc/04/52/08/435045208.db2.gz DWTLNPRJBJCWTB-UHFFFAOYSA-N 0 0 321.114 3.161 10 5 DGBERN CCOC(=O)c1c(Br)cc(CC)cc1[N+](=O)[O-] ZINC000575698920 435046271 /nfs/dbraw/zinc/04/62/71/435046271.db2.gz DSFZNIKDTZXPDN-UHFFFAOYSA-N 0 0 302.124 3.096 10 5 DGBERN CCOc1c(I)cc(CC)cc1[N+](=O)[O-] ZINC000575697395 435046360 /nfs/dbraw/zinc/04/63/60/435046360.db2.gz WVSZOKFPKCSBLP-UHFFFAOYSA-N 0 0 321.114 3.161 10 5 DGBERN CC(C)(C)Oc1cc(N2CCO[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000548598148 435702696 /nfs/dbraw/zinc/70/26/96/435702696.db2.gz PHXFHHXRAVHDAT-INIZCTEOSA-N 0 0 320.389 3.387 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000571750115 435732336 /nfs/dbraw/zinc/73/23/36/435732336.db2.gz GSMJDJFGDPIVDO-UKRRQHHQSA-N 0 0 317.320 3.461 10 5 DGBERN Cc1nccn1C[C@H]1CCCN1c1ccc(C)cc1[N+](=O)[O-] ZINC000269935494 302716509 /nfs/dbraw/zinc/71/65/09/302716509.db2.gz NYFUKZLBHCNEFJ-CQSZACIVSA-N 0 0 300.362 3.077 10 5 DGBERN CCC(CC)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000133950141 312679784 /nfs/dbraw/zinc/67/97/84/312679784.db2.gz WSKDPPXMBJIYRI-UHFFFAOYSA-N 0 0 305.378 3.457 10 5 DGBERN Cc1ccc(OCC(=O)Nc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000178992340 312794932 /nfs/dbraw/zinc/79/49/32/312794932.db2.gz HQNJJASIFFCLRK-UHFFFAOYSA-N 0 0 322.267 3.199 10 5 DGBERN O=[N+]([O-])c1ccc(Oc2ncnc3c2CCC3)c2cccnc21 ZINC000546026467 314286119 /nfs/dbraw/zinc/28/61/19/314286119.db2.gz YTAUICDHTUFXTC-UHFFFAOYSA-N 0 0 308.297 3.214 10 5 DGBERN CC(C)(C(=O)NCCCC1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000547243585 314351220 /nfs/dbraw/zinc/35/12/20/314351220.db2.gz BJIBUOVXLOHHIQ-UHFFFAOYSA-N 0 0 308.353 3.318 10 5 DGBERN COC(=O)c1cc(C)nc(N[C@H]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000553446673 314644332 /nfs/dbraw/zinc/64/43/32/314644332.db2.gz OFXATEKUXSZXIQ-NSHDSACASA-N 0 0 307.350 3.075 10 5 DGBERN CC(C)CCNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000554865222 314702224 /nfs/dbraw/zinc/70/22/24/314702224.db2.gz NDSNUYMHMIOPAK-UHFFFAOYSA-N 0 0 304.268 3.390 10 5 DGBERN COC(=O)c1cc(C)nc(N2CCCC[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000557601491 314811837 /nfs/dbraw/zinc/81/18/37/314811837.db2.gz IEDOPKMUXAJQCD-CYBMUJFWSA-N 0 0 321.377 3.100 10 5 DGBERN COC(=O)c1cc(C)nc(Oc2ccc(F)c(C)c2)c1[N+](=O)[O-] ZINC000561260427 314961741 /nfs/dbraw/zinc/96/17/41/314961741.db2.gz GCPDKHARUQZQKW-UHFFFAOYSA-N 0 0 320.276 3.325 10 5 DGBERN CCCO[C@@H]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000571314476 315712184 /nfs/dbraw/zinc/71/21/84/315712184.db2.gz NPUPYGHAHZMYHV-CQSZACIVSA-N 0 0 307.394 3.392 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cn1 ZINC000571750116 315741995 /nfs/dbraw/zinc/74/19/95/315741995.db2.gz GSMJDJFGDPIVDO-ZFWWWQNUSA-N 0 0 317.320 3.461 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000571750113 315742065 /nfs/dbraw/zinc/74/20/65/315742065.db2.gz GSMJDJFGDPIVDO-DZGCQCFKSA-N 0 0 317.320 3.461 10 5 DGBERN CSCCCCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184041223 323353370 /nfs/dbraw/zinc/35/33/70/323353370.db2.gz GRZUSGUAOXIQTM-SNVBAGLBSA-N 0 0 314.382 3.097 10 5 DGBERN CC(=O)c1ccc(F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000184839701 323375100 /nfs/dbraw/zinc/37/51/00/323375100.db2.gz KWXAUUWEHLAXGK-UHFFFAOYSA-N 0 0 316.288 3.497 10 5 DGBERN O=[N+]([O-])c1ccccc1Nc1cc(NCc2cccnc2)ncn1 ZINC000584635710 337375949 /nfs/dbraw/zinc/37/59/49/337375949.db2.gz FZCKECXSYKNNQT-UHFFFAOYSA-N 0 0 322.328 3.136 10 5 DGBERN O=[N+]([O-])c1ccccc1Nc1cc(NCc2ccncc2)ncn1 ZINC000584635814 337376192 /nfs/dbraw/zinc/37/61/92/337376192.db2.gz ZMHXQMCXLWZZGL-UHFFFAOYSA-N 0 0 322.328 3.136 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@@]2(C)CCCC[C@@H]2O)c1 ZINC000301503759 533995515 /nfs/dbraw/zinc/99/55/15/533995515.db2.gz YNQJMUZRPOAYOB-DZGCQCFKSA-N 0 0 312.341 3.096 10 5 DGBERN C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C1CCCC1 ZINC000172145891 534018924 /nfs/dbraw/zinc/01/89/24/534018924.db2.gz KLQASJNNTQMKLW-JTQLQIEISA-N 0 0 303.362 3.470 10 5 DGBERN CCO[C@H]1C[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])C12CCCC2 ZINC000302067846 528105529 /nfs/dbraw/zinc/10/55/29/528105529.db2.gz USLQQZNJDUFJAC-CVEARBPZSA-N 0 0 320.389 3.237 10 5 DGBERN CCO[C@H]1C[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C12CCCC2 ZINC000302067847 528145703 /nfs/dbraw/zinc/14/57/03/528145703.db2.gz USLQQZNJDUFJAC-HOTGVXAUSA-N 0 0 320.389 3.237 10 5 DGBERN CCOc1cc(C)ccc1CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302018587 528246046 /nfs/dbraw/zinc/24/60/46/528246046.db2.gz DDVQNTPOKAHFNY-UHFFFAOYSA-N 0 0 316.357 3.406 10 5 DGBERN CCOc1ccc(C(=O)N[C@@]2(C)CC=CCC2)cc1[N+](=O)[O-] ZINC000458302112 535708380 /nfs/dbraw/zinc/70/83/80/535708380.db2.gz BOBPNRMQNIUOGZ-INIZCTEOSA-N 0 0 304.346 3.222 10 5 DGBERN O=C(Nc1ccc2nccn2c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000733872365 574641053 /nfs/dbraw/zinc/64/10/53/574641053.db2.gz OLIQMRPUUBFQGB-UHFFFAOYSA-N 0 0 316.704 3.148 10 5 DGBERN Cn1c(CSCc2ccc([N+](=O)[O-])cc2)nnc1C1CCC1 ZINC000181140366 575937337 /nfs/dbraw/zinc/93/73/37/575937337.db2.gz FLLRAKKINHSXLT-UHFFFAOYSA-N 0 0 318.402 3.424 10 5 DGBERN O=[N+]([O-])c1ccc(OC[C@@H](O)c2cc(F)ccc2F)cc1F ZINC000154186683 620646095 /nfs/dbraw/zinc/64/60/95/620646095.db2.gz KOBDXNHJPWSRCE-CQSZACIVSA-N 0 0 313.231 3.125 10 5 DGBERN O=C(OCCc1ccccc1[N+](=O)[O-])c1cccc(F)c1F ZINC000151209966 620431114 /nfs/dbraw/zinc/43/11/14/620431114.db2.gz HQCFHGZPCYZBIM-UHFFFAOYSA-N 0 0 307.252 3.273 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CSC(C)(C)C ZINC000103377738 621356095 /nfs/dbraw/zinc/35/60/95/621356095.db2.gz NMNRERCVGNGCHZ-SNVBAGLBSA-N 0 0 308.403 3.404 10 5 DGBERN CC(C)n1ccnc1CN1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000123959549 622808416 /nfs/dbraw/zinc/80/84/16/622808416.db2.gz QDMBFACLMMOLND-GFCCVEGCSA-N 0 0 300.362 3.323 10 5 DGBERN CCOC(=O)C(C)(C)C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000135360305 626925837 /nfs/dbraw/zinc/92/58/37/626925837.db2.gz LBNUYGXRHKBKNN-LLVKDONJSA-N 0 0 323.345 3.097 10 5 DGBERN Cc1cccc([N+](=O)[O-])c1NCCCNC(=O)OC(C)(C)C ZINC000221533205 627219696 /nfs/dbraw/zinc/21/96/96/627219696.db2.gz DOXGQWAGLLJBOG-UHFFFAOYSA-N 0 0 309.366 3.230 10 5 DGBERN CC(C)(C)OC(=O)NCCCNc1cccc(F)c1[N+](=O)[O-] ZINC000221532328 627219710 /nfs/dbraw/zinc/21/97/10/627219710.db2.gz AHYGPOUGUKRCRK-UHFFFAOYSA-N 0 0 313.329 3.061 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1cccnc1Cl ZINC000103814505 627951371 /nfs/dbraw/zinc/95/13/71/627951371.db2.gz OVZCHBAOUPKICJ-UHFFFAOYSA-N 0 0 306.705 3.309 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1ccc(Cl)nc1 ZINC000101635918 629757191 /nfs/dbraw/zinc/75/71/91/629757191.db2.gz IEOABCYGUYIICK-UHFFFAOYSA-N 0 0 319.748 3.224 10 5 DGBERN CC[C@H]1CCCC[C@@H]1OC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000102212960 630005306 /nfs/dbraw/zinc/00/53/06/630005306.db2.gz CXHKNEJRFHMIQX-KBPBESRZSA-N 0 0 323.393 3.310 10 5 DGBERN CO[C@H](COc1cc(Br)ccc1[N+](=O)[O-])C1CC1 ZINC000703806932 660792001 /nfs/dbraw/zinc/79/20/01/660792001.db2.gz RXXHHDDYCLVGIX-GFCCVEGCSA-N 0 0 316.151 3.161 10 5 DGBERN O=[N+]([O-])c1ccc(F)c(NS(=O)(=O)/C=C\c2ccccc2)c1 ZINC000255106617 655598940 /nfs/dbraw/zinc/59/89/40/655598940.db2.gz LOFSGHIKTFEMDO-HJWRWDBZSA-N 0 0 322.317 3.147 10 5 DGBERN COc1cccc(C(=O)Oc2cccc([N+](=O)[O-])c2C)c1F ZINC000090518289 655635265 /nfs/dbraw/zinc/63/52/65/655635265.db2.gz LVJJBZXDPDQNNV-UHFFFAOYSA-N 0 0 305.261 3.270 10 5 DGBERN O=C(NC/C=C\c1ccccc1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000255225075 655659855 /nfs/dbraw/zinc/65/98/55/655659855.db2.gz PQIADJDGQGFYMJ-DAXSKMNVSA-N 0 0 318.279 3.316 10 5 DGBERN CO[C@@H](C)CCOC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000157789785 655669563 /nfs/dbraw/zinc/66/95/63/655669563.db2.gz ZKACUOKTVFAILB-QMMMGPOBSA-N 0 0 321.251 3.195 10 5 DGBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CC=CCC1 ZINC000072111139 655766706 /nfs/dbraw/zinc/76/67/06/655766706.db2.gz WEOIYGGTLWAMMV-LBPRGKRZSA-N 0 0 304.346 3.174 10 5 DGBERN CC(C)CCO[C@@H](C)C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000248246666 655809856 /nfs/dbraw/zinc/80/98/56/655809856.db2.gz HEMRZZVQSZPZRC-JTQLQIEISA-N 0 0 301.364 3.151 10 5 DGBERN CC[C@H](NC(=O)/C=C/c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000177791041 655946743 /nfs/dbraw/zinc/94/67/43/655946743.db2.gz UPYYJELNDKGRMR-FDMDGMSGSA-N 0 0 311.341 3.271 10 5 DGBERN CC[C@@H](NC(=O)Cc1csc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000177796940 655947297 /nfs/dbraw/zinc/94/72/97/655947297.db2.gz HWBUVAJNVRVOOS-CQSZACIVSA-N 0 0 319.386 3.170 10 5 DGBERN Cc1nn(CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c(=S)s1 ZINC000024655258 656092725 /nfs/dbraw/zinc/09/27/25/656092725.db2.gz FAZJLCFUWCXYOR-QMMMGPOBSA-N 0 0 322.415 3.299 10 5 DGBERN C[C@@H](NCc1csc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000037562850 661265711 /nfs/dbraw/zinc/26/57/11/661265711.db2.gz ZVZJVMKKIKETHF-SECBINFHSA-N 0 0 306.343 3.236 10 5 DGBERN O=[N+]([O-])c1ccc(SCc2cc(F)ccc2[N+](=O)[O-])nc1 ZINC000178763474 657043880 /nfs/dbraw/zinc/04/38/80/657043880.db2.gz KTXIMXSXHPVGQW-UHFFFAOYSA-N 0 0 309.278 3.329 10 5 DGBERN C[C@@H](CCNc1ccc([N+](=O)[O-])cc1C(F)F)[S@](C)=O ZINC000229825620 657429422 /nfs/dbraw/zinc/42/94/22/657429422.db2.gz YFHGRRWBCNNEFR-FHZGZLOMSA-N 0 0 306.334 3.101 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1C(=O)OCCCOC1CCCC1 ZINC000127142861 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213005480 /nfs/dbraw/zinc/00/54/80/213005480.db2.gz MRFIOHFOHIZXGE-HNNXBMFYSA-N 0 0 307.346 3.117 10 5 DGBERN COc1cc(C(=O)N2C[C@H](C)CC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000188528691 200261815 /nfs/dbraw/zinc/26/18/15/200261815.db2.gz JCQUKXSLWOOYRU-GHMZBOCLSA-N 0 0 306.362 3.172 10 5 DGBERN CO[C@@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC[C@H]1C ZINC000190266763 200509187 /nfs/dbraw/zinc/50/91/87/200509187.db2.gz DABNGNANFIOVLT-QMTHXVAHSA-N 0 0 321.377 3.100 10 5 DGBERN CO[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC[C@H]1C ZINC000190406424 200529999 /nfs/dbraw/zinc/52/99/99/200529999.db2.gz XCCUKIIDMDWIHR-MEBBXXQBSA-N 0 0 321.377 3.100 10 5 DGBERN CO[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC[C@@H]1C ZINC000190406405 200530366 /nfs/dbraw/zinc/53/03/66/200530366.db2.gz XCCUKIIDMDWIHR-ZUZCIYMTSA-N 0 0 321.377 3.100 10 5 DGBERN C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000180596997 432092056 /nfs/dbraw/zinc/09/20/56/432092056.db2.gz FKRPUQXYEGWHPS-VIFPVBQESA-N 0 0 319.748 3.321 10 5 DGBERN COc1cccc(CN(C)c2ncc(Cl)cc2[N+](=O)[O-])c1 ZINC000434956951 238259416 /nfs/dbraw/zinc/25/94/16/238259416.db2.gz XAURCKIALIRGAJ-UHFFFAOYSA-N 0 0 307.737 3.288 10 5 DGBERN C[C@H]1SCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1C ZINC000118373534 291256119 /nfs/dbraw/zinc/25/61/19/291256119.db2.gz AQIXBXPBFLBSEH-NXEZZACHSA-N 0 0 319.386 3.042 10 5 DGBERN COc1ccc2c(c1)CCN2C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000058717514 283650145 /nfs/dbraw/zinc/65/01/45/283650145.db2.gz NFFVQTCDMZQFCC-UHFFFAOYSA-N 0 0 318.354 3.176 10 5 DGBERN COc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1C(C)=O ZINC000180718720 432097450 /nfs/dbraw/zinc/09/74/50/432097450.db2.gz JUODJSJBYUHJFL-UHFFFAOYSA-N 0 0 301.298 3.385 10 5 DGBERN CCc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)oc1CC ZINC000135078910 432098792 /nfs/dbraw/zinc/09/87/92/432098792.db2.gz REBPZZYKDDZSTO-UHFFFAOYSA-N 0 0 302.330 3.243 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)C2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246448869 202592943 /nfs/dbraw/zinc/59/29/43/202592943.db2.gz NQDUMLCLDVXMDQ-AVGNSLFASA-N 0 0 320.389 3.284 10 5 DGBERN CCC[C@H](N[C@H]1CCCn2ncnc21)c1cccc([N+](=O)[O-])c1 ZINC000164730090 283940918 /nfs/dbraw/zinc/94/09/18/283940918.db2.gz JTJFVEPACYAELZ-GJZGRUSLSA-N 0 0 315.377 3.152 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1ccccc1F ZINC000103377326 284028766 /nfs/dbraw/zinc/02/87/66/284028766.db2.gz UMDFFYKFPGIDNT-NSHDSACASA-N 0 0 314.316 3.254 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000110440931 284072596 /nfs/dbraw/zinc/07/25/96/284072596.db2.gz TWWYMWPEWFHXDH-YOEHRIQHSA-N 0 0 310.353 3.437 10 5 DGBERN COc1c(C(=O)N2CC3(CC3)c3ccccc32)cccc1[N+](=O)[O-] ZINC000476087756 244512905 /nfs/dbraw/zinc/51/29/05/244512905.db2.gz YMWFWSVUVDLKSN-UHFFFAOYSA-N 0 0 324.336 3.295 10 5 DGBERN Cn1c(=O)ccc2ccc(Nc3ccc(F)cc3[N+](=O)[O-])cc21 ZINC000486031884 244951187 /nfs/dbraw/zinc/95/11/87/244951187.db2.gz GGVFITLVEDWRDC-UHFFFAOYSA-N 0 0 313.288 3.329 10 5 DGBERN CC(=O)c1ccc(N[C@@H](CO)c2sccc2C)c([N+](=O)[O-])c1 ZINC000487687001 245093111 /nfs/dbraw/zinc/09/31/11/245093111.db2.gz GQFCDNJIZBCYRU-ZDUSSCGKSA-N 0 0 320.370 3.313 10 5 DGBERN Cc1cccc(NC(=O)COc2cccc(C)c2[N+](=O)[O-])c1 ZINC000124037982 284251593 /nfs/dbraw/zinc/25/15/93/284251593.db2.gz JJIRREAETOFMDJ-UHFFFAOYSA-N 0 0 300.314 3.229 10 5 DGBERN CCc1oc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1C ZINC000126180038 284296796 /nfs/dbraw/zinc/29/67/96/284296796.db2.gz IPJYLCDUULHWJC-UHFFFAOYSA-N 0 0 302.330 3.031 10 5 DGBERN Cc1cc(N[C@@H]2CCc3nnc(C(C)C)n3C2)ccc1[N+](=O)[O-] ZINC000171364087 432125870 /nfs/dbraw/zinc/12/58/70/432125870.db2.gz DKFKGQLZDRZKTC-CYBMUJFWSA-N 0 0 315.377 3.045 10 5 DGBERN CC(C)c1nc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2)no1 ZINC000271678582 209119515 /nfs/dbraw/zinc/11/95/15/209119515.db2.gz YPKOSCFWUIIHCQ-ZDUSSCGKSA-N 0 0 302.334 3.443 10 5 DGBERN CCOc1ncnc(Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-] ZINC000040659592 183114997 /nfs/dbraw/zinc/11/49/97/183114997.db2.gz BYDIMEAOJVEQTQ-UHFFFAOYSA-N 0 0 312.688 3.320 10 5 DGBERN COc1ccc(Oc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])cc1 ZINC000040581932 183105089 /nfs/dbraw/zinc/10/50/89/183105089.db2.gz JVZQUTCFHHJLFD-UHFFFAOYSA-N 0 0 318.333 3.396 10 5 DGBERN COc1ccccc1Oc1ncnc(NC(C)(C)C)c1[N+](=O)[O-] ZINC000040581930 183105147 /nfs/dbraw/zinc/10/51/47/183105147.db2.gz IISBMIFUQLIARY-UHFFFAOYSA-N 0 0 318.333 3.396 10 5 DGBERN CNc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] ZINC000040587938 183105860 /nfs/dbraw/zinc/10/58/60/183105860.db2.gz AZUHOILODRHSAF-UHFFFAOYSA-N 0 0 314.132 3.477 10 5 DGBERN O=[N+]([O-])c1c(NCCC2=CCCCC2)ncnc1N1CCCC1 ZINC000040608973 183108603 /nfs/dbraw/zinc/10/86/03/183108603.db2.gz GSWRRCIMYPEXAR-UHFFFAOYSA-N 0 0 317.393 3.287 10 5 DGBERN Cc1cc(Oc2ncnc(N(C)C)c2[N+](=O)[O-])ccc1Cl ZINC000040608571 183108721 /nfs/dbraw/zinc/10/87/21/183108721.db2.gz VDGLKOJTCUEYGT-UHFFFAOYSA-N 0 0 308.725 3.205 10 5 DGBERN CCOc1ncnc(NC23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-] ZINC000040621706 183109561 /nfs/dbraw/zinc/10/95/61/183109561.db2.gz MXTPMYNMCOJCSO-UHFFFAOYSA-N 0 0 318.377 3.164 10 5 DGBERN Cc1ccc(OC[C@@H](O)COc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000154015913 284706772 /nfs/dbraw/zinc/70/67/72/284706772.db2.gz XJOVETFLQRRMDW-OAHLLOKOSA-N 0 0 317.341 3.030 10 5 DGBERN CCCN(C[C@H]1CCCCO1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000106695847 194244769 /nfs/dbraw/zinc/24/47/69/194244769.db2.gz HTKZCKRQOFHMON-CYBMUJFWSA-N 0 0 324.352 3.155 10 5 DGBERN CCCN(C[C@H]1CCCCO1)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000106695258 194244968 /nfs/dbraw/zinc/24/49/68/194244968.db2.gz VOICUSZZPKBCOL-CQSZACIVSA-N 0 0 320.389 3.325 10 5 DGBERN O=C(NC[C@@H]1C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000110440516 194330338 /nfs/dbraw/zinc/33/03/38/194330338.db2.gz LRJIMRUNNIFWTJ-SWLSCSKDSA-N 0 0 314.316 3.267 10 5 DGBERN O=C(NC[C@@H]1C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000110456269 194331624 /nfs/dbraw/zinc/33/16/24/194331624.db2.gz LHBHVQDMVIOYRF-NWDGAFQWSA-N 0 0 302.355 3.190 10 5 DGBERN O=C(NC[C@H]1C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000110456264 194331737 /nfs/dbraw/zinc/33/17/37/194331737.db2.gz LHBHVQDMVIOYRF-VXGBXAGGSA-N 0 0 302.355 3.190 10 5 DGBERN C[C@@H]1CCC[C@@H](C)N1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000110711692 194353045 /nfs/dbraw/zinc/35/30/45/194353045.db2.gz NMRVSRHIKLXNHS-GHMZBOCLSA-N 0 0 301.346 3.479 10 5 DGBERN O=C(N[C@H]1COc2ccccc21)c1cc([N+](=O)[O-])ccc1Cl ZINC000058725951 184126987 /nfs/dbraw/zinc/12/69/87/184126987.db2.gz ZDXFBIUHHRBXGK-ZDUSSCGKSA-N 0 0 318.716 3.112 10 5 DGBERN COc1ccc(C(=O)N2CCC[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000116042424 194712246 /nfs/dbraw/zinc/71/22/46/194712246.db2.gz UKIFQJRQGOQKEL-LBPRGKRZSA-N 0 0 316.313 3.174 10 5 DGBERN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]2CCCC[C@@H]12 ZINC000248384366 284991110 /nfs/dbraw/zinc/99/11/10/284991110.db2.gz DPXVBVJTEODQTI-GMXABZIVSA-N 0 0 306.337 3.385 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CC=C(c2cccs2)CC1 ZINC000117721778 194842955 /nfs/dbraw/zinc/84/29/55/194842955.db2.gz IGTYPEMZKFPBQK-UHFFFAOYSA-N 0 0 304.327 3.179 10 5 DGBERN CC[C@@H](NC(=O)NCc1cscn1)c1cccc([N+](=O)[O-])c1 ZINC000176046103 252699045 /nfs/dbraw/zinc/69/90/45/252699045.db2.gz FWIUUHOCLLAFIQ-CYBMUJFWSA-N 0 0 320.374 3.002 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC([C@H]3CCCO3)CC2)n1 ZINC000408411342 291824566 /nfs/dbraw/zinc/82/45/66/291824566.db2.gz GJFJNLOBQCYAOO-CQSZACIVSA-N 0 0 305.378 3.002 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC3(CCOCC3)[C@@H]2C)n1 ZINC000408198175 291824869 /nfs/dbraw/zinc/82/48/69/291824869.db2.gz LUXWVZDNWQFFMB-ZDUSSCGKSA-N 0 0 305.378 3.002 10 5 DGBERN O=C(NCC1(C2CC2)CCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000119641256 195007869 /nfs/dbraw/zinc/00/78/69/195007869.db2.gz NVDSSEDSZYNNGN-UHFFFAOYSA-N 0 0 313.357 3.386 10 5 DGBERN COc1cc(NC[C@H]2CCO[C@@H]2C(C)C)c([N+](=O)[O-])cc1F ZINC000337940250 253197292 /nfs/dbraw/zinc/19/72/92/253197292.db2.gz BEVHXDRLIITYIB-MEBBXXQBSA-N 0 0 312.341 3.216 10 5 DGBERN COc1ccc([N+](=O)[O-])c(-c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000504752244 257139192 /nfs/dbraw/zinc/13/91/92/257139192.db2.gz NUNVJDHUPHTGGU-UHFFFAOYSA-N 0 0 304.258 3.187 10 5 DGBERN COc1ccc([N+](=O)[O-])cc1NCc1nc(C2CCCC2)no1 ZINC000178962075 533229413 /nfs/dbraw/zinc/22/94/13/533229413.db2.gz ZNTWCNSHYJMQCN-UHFFFAOYSA-N 0 0 318.333 3.256 10 5 DGBERN C[C@@H](CC(=O)OC(C)(C)C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000434950491 533455568 /nfs/dbraw/zinc/45/55/68/533455568.db2.gz KBTLTAMABPUEQN-QMMMGPOBSA-N 0 0 315.757 3.175 10 5 DGBERN Cn1cncc1CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000357590223 285796732 /nfs/dbraw/zinc/79/67/32/285796732.db2.gz DWIZFLQJSATWSC-UHFFFAOYSA-N 0 0 301.133 3.247 10 5 DGBERN C[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1ccncc1 ZINC000587992928 400177290 /nfs/dbraw/zinc/17/72/90/400177290.db2.gz RYXXWVZNXYDWKS-VIFPVBQESA-N 0 0 315.358 3.210 10 5 DGBERN O=C(Nc1ccc2nccn2c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609623001 400181364 /nfs/dbraw/zinc/18/13/64/400181364.db2.gz CVFBVXLASDQIDP-UHFFFAOYSA-N 0 0 322.280 3.241 10 5 DGBERN CN(Cc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000018174392 400181877 /nfs/dbraw/zinc/18/18/77/400181877.db2.gz WVVFVXJAUAJNHV-UHFFFAOYSA-N 0 0 303.293 3.398 10 5 DGBERN CN(C)c1ncc(-c2ccc([N+](=O)[O-])nc2)cc1C(F)(F)F ZINC000584880502 400119582 /nfs/dbraw/zinc/11/95/82/400119582.db2.gz BMIUFWARJGCMAD-UHFFFAOYSA-N 0 0 312.251 3.137 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1cc(F)cc(F)c1 ZINC000011549262 400143178 /nfs/dbraw/zinc/14/31/78/400143178.db2.gz ALGNVRJPTBIONN-UHFFFAOYSA-N 0 0 321.283 3.232 10 5 DGBERN COC(=O)c1cc(Oc2ccc3c[nH]nc3c2)ccc1[N+](=O)[O-] ZINC000092665947 400191592 /nfs/dbraw/zinc/19/15/92/400191592.db2.gz LDPLZBJSLXEAEY-UHFFFAOYSA-N 0 0 313.269 3.050 10 5 DGBERN COCc1cc([N+](=O)[O-])ccc1NC[C@@H](C)c1ccncc1 ZINC000610517084 400269538 /nfs/dbraw/zinc/26/95/38/400269538.db2.gz WZXDTMGKIOCNRW-GFCCVEGCSA-N 0 0 301.346 3.352 10 5 DGBERN O=[N+]([O-])c1ccc(F)c(OC(F)(F)F)c1Br ZINC000396058628 400281673 /nfs/dbraw/zinc/28/16/73/400281673.db2.gz NUYHAAJNYKEQSX-UHFFFAOYSA-N 0 0 303.993 3.395 10 5 DGBERN O=[N+]([O-])c1c(F)cc(OC(F)(F)F)cc1Br ZINC000396048447 400281735 /nfs/dbraw/zinc/28/17/35/400281735.db2.gz CXJDULNJRZNWFB-UHFFFAOYSA-N 0 0 303.993 3.395 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1CC12CCCC2 ZINC000610471653 400261354 /nfs/dbraw/zinc/26/13/54/400261354.db2.gz QNXJEQCFGDQPQW-SMDDNHRTSA-N 0 0 300.358 3.453 10 5 DGBERN Cc1sc(C(=O)N[C@@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000033206410 400381917 /nfs/dbraw/zinc/38/19/17/400381917.db2.gz JSTUAVUCAJTDBY-QMMMGPOBSA-N 0 0 310.400 3.387 10 5 DGBERN COC(=O)c1cccc(NCc2csc([N+](=O)[O-])c2)c1C ZINC000037562917 400394016 /nfs/dbraw/zinc/39/40/16/400394016.db2.gz QHQCYEITJVFDHE-UHFFFAOYSA-N 0 0 306.343 3.363 10 5 DGBERN O=[N+]([O-])c1cc(Cl)cnc1N1CC(Cc2ccccc2)C1 ZINC000611510207 400413343 /nfs/dbraw/zinc/41/33/43/400413343.db2.gz GRIOYNIYWZUSMJ-UHFFFAOYSA-N 0 0 303.749 3.322 10 5 DGBERN COc1ccc(Oc2cccc(OC)c2OC)c([N+](=O)[O-])c1 ZINC000115907443 400402920 /nfs/dbraw/zinc/40/29/20/400402920.db2.gz APCHVBLBIFAFCR-UHFFFAOYSA-N 0 0 305.286 3.413 10 5 DGBERN C[C@@H](CNC(=O)OC(C)(C)C)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000118737939 400431215 /nfs/dbraw/zinc/43/12/15/400431215.db2.gz PQOPDZBGKPTWRY-VIFPVBQESA-N 0 0 314.313 3.026 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCc3c(F)ccc(F)c3C2)n1 ZINC000611617090 400429013 /nfs/dbraw/zinc/42/90/13/400429013.db2.gz CMTNYDWHDCAVLA-UHFFFAOYSA-N 0 0 319.311 3.448 10 5 DGBERN CC1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC(F)(F)CC1 ZINC000612064782 400483488 /nfs/dbraw/zinc/48/34/88/400483488.db2.gz UZBAEJCICHEPRW-UHFFFAOYSA-N 0 0 316.279 3.432 10 5 DGBERN CSCCCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000126282949 400490744 /nfs/dbraw/zinc/49/07/44/400490744.db2.gz KEMLYJVNWAFDRV-UHFFFAOYSA-N 0 0 302.783 3.121 10 5 DGBERN Cc1ccccc1[C@@H](C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000045269381 400517604 /nfs/dbraw/zinc/51/76/04/400517604.db2.gz NJXKGCPPLOQZJX-LLVKDONJSA-N 0 0 324.340 3.271 10 5 DGBERN C[C@H]1CCCCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000074659710 400524381 /nfs/dbraw/zinc/52/43/81/400524381.db2.gz SUWKNDUKPHZAHS-ZDUSSCGKSA-N 0 0 315.373 3.341 10 5 DGBERN Cc1ccccc1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129870695 400530836 /nfs/dbraw/zinc/53/08/36/400530836.db2.gz GUEAINWLGPCVEF-UHFFFAOYSA-N 0 0 309.325 3.315 10 5 DGBERN CC[C@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1nccs1 ZINC000131380797 400549156 /nfs/dbraw/zinc/54/91/56/400549156.db2.gz LCOXBOUOUCUTJO-LBPRGKRZSA-N 0 0 305.359 3.241 10 5 DGBERN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1nccs1 ZINC000131619821 400552581 /nfs/dbraw/zinc/55/25/81/400552581.db2.gz HFGFQMWHNSXECN-NSHDSACASA-N 0 0 305.359 3.241 10 5 DGBERN CC[C@H](NC(=O)[C@@H](C)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000155211795 400701435 /nfs/dbraw/zinc/70/14/35/400701435.db2.gz ZQOQWEOQOBXSJK-LRDDRELGSA-N 0 0 320.389 3.225 10 5 DGBERN CCc1cnc(CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000078513407 400806842 /nfs/dbraw/zinc/80/68/42/400806842.db2.gz DHXHRELVFNFDLX-UHFFFAOYSA-N 0 0 322.346 3.177 10 5 DGBERN C[C@@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C[C@@H]1O ZINC000089424387 401221144 /nfs/dbraw/zinc/22/11/44/401221144.db2.gz LCJABQYGRNCPPC-ACJLOTCBSA-N 0 0 320.392 3.231 10 5 DGBERN CO[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1C ZINC000302575250 286074927 /nfs/dbraw/zinc/07/49/27/286074927.db2.gz RKYGRHSAWQRXGE-RNCFNFMXSA-N 0 0 318.295 3.475 10 5 DGBERN C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000359115007 286240501 /nfs/dbraw/zinc/24/05/01/286240501.db2.gz FXQZSGSZLNNEKN-NSHDSACASA-N 0 0 303.362 3.067 10 5 DGBERN C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000359115006 286240505 /nfs/dbraw/zinc/24/05/05/286240505.db2.gz FXQZSGSZLNNEKN-LLVKDONJSA-N 0 0 303.362 3.067 10 5 DGBERN CCOc1ccc(C(=O)N[C@@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000362007504 286757083 /nfs/dbraw/zinc/75/70/83/286757083.db2.gz CQMJIXDEBBQIJP-QMMMGPOBSA-N 0 0 320.267 3.064 10 5 DGBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C(C)C)C(F)(F)F ZINC000362526923 286823079 /nfs/dbraw/zinc/82/30/79/286823079.db2.gz WPMLONJNYNBECL-NSHDSACASA-N 0 0 304.268 3.220 10 5 DGBERN COc1cccc(F)c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000174489660 164731051 /nfs/dbraw/zinc/73/10/51/164731051.db2.gz VJPCPPNVZZBPKQ-SNVBAGLBSA-N 0 0 318.304 3.234 10 5 DGBERN O=[N+]([O-])c1cccc(CNCc2ncc(-c3ccccc3)cn2)c1 ZINC000185872722 165018574 /nfs/dbraw/zinc/01/85/74/165018574.db2.gz FJRGFUMWIVFCGP-UHFFFAOYSA-N 0 0 320.352 3.342 10 5 DGBERN CN1Cc2cc(NCc3ccccc3[N+](=O)[O-])ccc2NC1=O ZINC000187484186 165093901 /nfs/dbraw/zinc/09/39/01/165093901.db2.gz KYXFEHFEOTULFA-UHFFFAOYSA-N 0 0 312.329 3.184 10 5 DGBERN Cc1nc(CC(C)C)oc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000188357784 165121861 /nfs/dbraw/zinc/12/18/61/165121861.db2.gz OSKTWRNZWMJTQA-UHFFFAOYSA-N 0 0 303.318 3.342 10 5 DGBERN Cc1nc(CC(C)C)oc1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000188632925 165130218 /nfs/dbraw/zinc/13/02/18/165130218.db2.gz YNFXGNFRCZRPMU-UHFFFAOYSA-N 0 0 317.345 3.020 10 5 DGBERN Cc1csc([C@@H]2COCCN2c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000189133455 165149922 /nfs/dbraw/zinc/14/99/22/165149922.db2.gz FMFMVPHLBRCFFI-AWEZNQCLSA-N 0 0 319.386 3.246 10 5 DGBERN CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000189187952 165152705 /nfs/dbraw/zinc/15/27/05/165152705.db2.gz CNLZFCMLYZGCQF-UHFFFAOYSA-N 0 0 318.373 3.159 10 5 DGBERN CC1(C)CN(C(=O)c2ccccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000189956190 165184330 /nfs/dbraw/zinc/18/43/30/165184330.db2.gz AZHRPGWNHTVTIG-UHFFFAOYSA-N 0 0 318.373 3.159 10 5 DGBERN COC[C@H](Cc1ccccc1)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000191470864 165253264 /nfs/dbraw/zinc/25/32/64/165253264.db2.gz VLDAHDALEJWGQB-HNNXBMFYSA-N 0 0 320.414 3.346 10 5 DGBERN O=C1Nc2ccccc2[C@H]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000192804430 165306064 /nfs/dbraw/zinc/30/60/64/165306064.db2.gz UCLXVSALXNCURC-GFCCVEGCSA-N 0 0 315.304 3.272 10 5 DGBERN O=[N+]([O-])c1ccc(CN2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000193938305 165335128 /nfs/dbraw/zinc/33/51/28/165335128.db2.gz NQVKRKIDPWLELT-CYBMUJFWSA-N 0 0 317.301 3.433 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000194165187 165339737 /nfs/dbraw/zinc/33/97/37/165339737.db2.gz LDUNZYCYMKATFR-MRXNPFEDSA-N 0 0 317.389 3.483 10 5 DGBERN Cc1csc([C@@H]2CN(c3ccc(F)cc3[N+](=O)[O-])CCO2)n1 ZINC000195313941 165365761 /nfs/dbraw/zinc/36/57/61/165365761.db2.gz UEHYFMHLPZMDKK-ZDUSSCGKSA-N 0 0 323.349 3.077 10 5 DGBERN O=[N+]([O-])c1cnc(N2CCC[C@@H]2Cc2cccc(F)c2)s1 ZINC000195509694 165371996 /nfs/dbraw/zinc/37/19/96/165371996.db2.gz PXXPBXLCNSANJB-GFCCVEGCSA-N 0 0 307.350 3.402 10 5 DGBERN C[C@@H]1CC(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000179592767 287204641 /nfs/dbraw/zinc/20/46/41/287204641.db2.gz CXFIYYWTRLPRQB-VXGBXAGGSA-N 0 0 318.373 3.078 10 5 DGBERN CC(=O)[C@H](C)CCCCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000269273387 432156742 /nfs/dbraw/zinc/15/67/42/432156742.db2.gz HOAJIOOUBAORTL-GFCCVEGCSA-N 0 0 318.373 3.269 10 5 DGBERN C[C@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C ZINC000131398258 196164813 /nfs/dbraw/zinc/16/48/13/196164813.db2.gz NIIXNOXELRLSOQ-WDEREUQCSA-N 0 0 301.346 3.194 10 5 DGBERN CC[C@H](NC(=O)[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000247256606 432217149 /nfs/dbraw/zinc/21/71/49/432217149.db2.gz XLVXTEQTDYWNLR-LMWOUKEDSA-N 0 0 320.389 3.366 10 5 DGBERN COc1ccc([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000134015224 196353149 /nfs/dbraw/zinc/35/31/49/196353149.db2.gz LVKVYJMFKRJEDN-SNVBAGLBSA-N 0 0 315.329 3.049 10 5 DGBERN C[C@@H](Cc1ccsc1)N(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000301494046 229698516 /nfs/dbraw/zinc/69/85/16/229698516.db2.gz RIYLMOAQXGOQEO-VIFPVBQESA-N 0 0 322.415 3.433 10 5 DGBERN Cc1cc([N+](=O)[O-])cnc1N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000301629878 229784943 /nfs/dbraw/zinc/78/49/43/229784943.db2.gz CDJWNEISJHGNCW-GFCCVEGCSA-N 0 0 324.344 3.052 10 5 DGBERN Cc1ccc(CN(C)c2nc3sccn3c2[N+](=O)[O-])cc1F ZINC000302648613 230331204 /nfs/dbraw/zinc/33/12/04/230331204.db2.gz BDGATLOWXHIDRA-UHFFFAOYSA-N 0 0 320.349 3.388 10 5 DGBERN COc1ccc2c(c1)CCN2C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000194629121 263817219 /nfs/dbraw/zinc/81/72/19/263817219.db2.gz OHIBIYBAABRCBU-UHFFFAOYSA-N 0 0 313.313 3.198 10 5 DGBERN O=C(Nc1cccc2c1OCCC2)c1ccc([N+](=O)[O-])s1 ZINC000370496323 271366128 /nfs/dbraw/zinc/36/61/28/271366128.db2.gz NIBJIRWZQJANQY-UHFFFAOYSA-N 0 0 304.327 3.234 10 5 DGBERN O=[N+]([O-])c1ccc2c(c1)CN(c1ncnc3ccccc31)CC2 ZINC000301614098 275037670 /nfs/dbraw/zinc/03/76/70/275037670.db2.gz UJBSYQTXAXFNBN-UHFFFAOYSA-N 0 0 306.325 3.101 10 5 DGBERN CC1(C)COC[C@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000313152077 275855022 /nfs/dbraw/zinc/85/50/22/275855022.db2.gz VSCZGDRWAPPGCX-LLVKDONJSA-N 0 0 315.167 3.194 10 5 DGBERN C[C@@H](CCCC(F)(F)F)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000493664741 429807036 /nfs/dbraw/zinc/80/70/36/429807036.db2.gz ZBFWCRXVHMVMPP-QMMMGPOBSA-N 0 0 317.271 3.171 10 5 DGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C(C)C)[C@H]1CCOC1 ZINC000291787914 276828575 /nfs/dbraw/zinc/82/85/75/276828575.db2.gz VTBFBXCOHUYQAD-ISBHARSQSA-N 0 0 318.373 3.024 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N2CCCC[C@@H](SC)C2)c1 ZINC000301788475 277380041 /nfs/dbraw/zinc/38/00/41/277380041.db2.gz PSNGDLYTRRGSTL-LLVKDONJSA-N 0 0 314.382 3.464 10 5 DGBERN COc1cc(N2CC[C@@H](C(F)(F)F)[C@H]2C)ccc1[N+](=O)[O-] ZINC000480552546 277382079 /nfs/dbraw/zinc/38/20/79/277382079.db2.gz OTZZPNTWJURNBG-PSASIEDQSA-N 0 0 304.268 3.381 10 5 DGBERN O=C(NCCCc1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000068179138 431117130 /nfs/dbraw/zinc/11/71/30/431117130.db2.gz WAUXLEXTUGOISX-UHFFFAOYSA-N 0 0 302.305 3.097 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)c1cccc(O)c1 ZINC000069426197 431186073 /nfs/dbraw/zinc/18/60/73/431186073.db2.gz MNSKNGZMVODIHO-NSHDSACASA-N 0 0 300.314 3.100 10 5 DGBERN C[C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000128995956 279727124 /nfs/dbraw/zinc/72/71/24/279727124.db2.gz RUSACRKTTCPNTH-CPCISQLKSA-N 0 0 305.161 3.109 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCC(F)(F)F ZINC000074242395 431406040 /nfs/dbraw/zinc/40/60/40/431406040.db2.gz RAXPTUJFTLQDTR-MRVPVSSYSA-N 0 0 302.252 3.215 10 5 DGBERN CCO[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000074288846 431408705 /nfs/dbraw/zinc/40/87/05/431408705.db2.gz GCZWUMGSOOOGFO-OAHLLOKOSA-N 0 0 308.378 3.084 10 5 DGBERN CCN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](C)c1cccnc1 ZINC000115227524 431440756 /nfs/dbraw/zinc/44/07/56/431440756.db2.gz GKZDUBOVOQQKCW-ZDUSSCGKSA-N 0 0 313.357 3.142 10 5 DGBERN C[C@H]1c2ccccc2O[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078148928 280129922 /nfs/dbraw/zinc/12/99/22/280129922.db2.gz POXPAIZLMVXWEZ-APPDUMDISA-N 0 0 324.336 3.049 10 5 DGBERN O=c1c2ccccc2oc(-c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000039119538 280392382 /nfs/dbraw/zinc/39/23/82/280392382.db2.gz PBRSGVDNWPMREI-UHFFFAOYSA-N 0 0 312.237 3.276 10 5 DGBERN C[C@@H]1SCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1C ZINC000118373531 431599854 /nfs/dbraw/zinc/59/98/54/431599854.db2.gz AQIXBXPBFLBSEH-UWVGGRQHSA-N 0 0 319.386 3.042 10 5 DGBERN C[C@@H]1[C@H](C)SCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000118373529 431600194 /nfs/dbraw/zinc/60/01/94/431600194.db2.gz AQIXBXPBFLBSEH-ZJUUUORDSA-N 0 0 319.386 3.042 10 5 DGBERN CCC1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000078435863 431670783 /nfs/dbraw/zinc/67/07/83/431670783.db2.gz KIETUAYZUFNPID-UHFFFAOYSA-N 0 0 306.362 3.059 10 5 DGBERN C[C@@H]1C[C@H]1Nc1ccc(I)cc1[N+](=O)[O-] ZINC000082403749 431804399 /nfs/dbraw/zinc/80/43/99/431804399.db2.gz HEBYWLOWFZIALZ-HZGVNTEJSA-N 0 0 318.114 3.020 10 5 DGBERN COCC(=O)Nc1cc(Sc2ccccc2)ccc1[N+](=O)[O-] ZINC000033605208 431814222 /nfs/dbraw/zinc/81/42/22/431814222.db2.gz LBHWUDRAIQBYHH-UHFFFAOYSA-N 0 0 318.354 3.331 10 5 DGBERN Cc1ccc(CCC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000040679160 431858227 /nfs/dbraw/zinc/85/82/27/431858227.db2.gz NOBHKQQFHWCBNG-UHFFFAOYSA-N 0 0 312.369 3.195 10 5 DGBERN Cc1cc(CC(=O)O[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000084808726 431832846 /nfs/dbraw/zinc/83/28/46/431832846.db2.gz MGUIRHLVSMRPJL-LLVKDONJSA-N 0 0 304.302 3.047 10 5 DGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Br)C1CCCC1 ZINC000085348077 431839388 /nfs/dbraw/zinc/83/93/88/431839388.db2.gz VXFQIGBTPUYPRZ-UHFFFAOYSA-N 0 0 313.151 3.486 10 5 DGBERN COc1c(F)cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1F ZINC000124968629 431909936 /nfs/dbraw/zinc/90/99/36/431909936.db2.gz VMDHDUICYWEMKY-UHFFFAOYSA-N 0 0 322.267 3.442 10 5 DGBERN Cc1ccccc1[C@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124624006 431899810 /nfs/dbraw/zinc/89/98/10/431899810.db2.gz OHOGHFKZHBEDSC-NSHDSACASA-N 0 0 300.318 3.181 10 5 DGBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCc1ccsc1 ZINC000046779598 431900620 /nfs/dbraw/zinc/90/06/20/431900620.db2.gz JAQHOXFLTAPYHE-UHFFFAOYSA-N 0 0 319.386 3.040 10 5 DGBERN COc1cc(NC[C@@]2(C)CCCC[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000127625990 431976432 /nfs/dbraw/zinc/97/64/32/431976432.db2.gz NTZSYWOUTLGSQF-LSDHHAIUSA-N 0 0 312.341 3.096 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(F)c1 ZINC000049241205 431937694 /nfs/dbraw/zinc/93/76/94/431937694.db2.gz VCZUVCHEECMJPX-UHFFFAOYSA-N 0 0 309.684 3.343 10 5 DGBERN CC(C)[C@H](C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050288149 431947810 /nfs/dbraw/zinc/94/78/10/431947810.db2.gz AELMBQOOAINBKH-JTQLQIEISA-N 0 0 319.386 3.493 10 5 DGBERN O=[N+]([O-])c1ccc(CCN2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000126562112 431952943 /nfs/dbraw/zinc/95/29/43/431952943.db2.gz MPUKLWVOEWCMGT-MRXNPFEDSA-N 0 0 318.398 3.272 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@@H]2O)cc1C(F)(F)F ZINC000052006295 431954049 /nfs/dbraw/zinc/95/40/49/431954049.db2.gz LTXWQDAWVMITDH-PWSUYJOCSA-N 0 0 304.268 3.329 10 5 DGBERN Cc1cc([N+](=O)[O-])cn(Cc2c(Cl)cccc2Cl)c1=O ZINC000096778341 431956207 /nfs/dbraw/zinc/95/62/07/431956207.db2.gz OTWFQGILKJLWGT-UHFFFAOYSA-N 0 0 313.140 3.420 10 5 DGBERN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccco1 ZINC000151866176 432283254 /nfs/dbraw/zinc/28/32/54/432283254.db2.gz KSKFYNUJVGZLTR-OAHLLOKOSA-N 0 0 314.341 3.484 10 5 DGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000152082429 432302391 /nfs/dbraw/zinc/30/23/91/432302391.db2.gz JGTSXSBNTVUBKS-DLBZAZTESA-N 0 0 316.401 3.470 10 5 DGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1C1CCC1 ZINC000102875199 431999203 /nfs/dbraw/zinc/99/92/03/431999203.db2.gz DGEKLOGTQMBFGA-INIZCTEOSA-N 0 0 313.357 3.481 10 5 DGBERN CCC[C@@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccccc1 ZINC000191469294 432267561 /nfs/dbraw/zinc/26/75/61/432267561.db2.gz NSGCFKYBQGTGPX-CYBMUJFWSA-N 0 0 316.361 3.082 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cn2ccnc2s1 ZINC000191825588 432306799 /nfs/dbraw/zinc/30/67/99/432306799.db2.gz ZVRLKMMFDPFIIQ-UHFFFAOYSA-N 0 0 316.342 3.173 10 5 DGBERN CCc1ccc([C@H](C)Nc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000252014990 432374617 /nfs/dbraw/zinc/37/46/17/432374617.db2.gz VDXKXRFIVLXNLC-NSHDSACASA-N 0 0 313.357 3.429 10 5 DGBERN CCO[C@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])s2)C12CCCC2 ZINC000192462715 432378356 /nfs/dbraw/zinc/37/83/56/432378356.db2.gz GVNIWGDEKDYAPZ-QWRGUYRKSA-N 0 0 311.407 3.225 10 5 DGBERN COc1ccc2c(c1)CCN2c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153646677 432428836 /nfs/dbraw/zinc/42/88/36/432428836.db2.gz RMEWQSXONVOEHQ-UHFFFAOYSA-N 0 0 305.721 3.346 10 5 DGBERN CN(Cc1nc2c(s1)CCCC2)c1cc(N)ccc1[N+](=O)[O-] ZINC000192797438 432414794 /nfs/dbraw/zinc/41/47/94/432414794.db2.gz BZTYQMXAZSRHAU-UHFFFAOYSA-N 0 0 318.402 3.149 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC1CCCCC1)C1CC1 ZINC000193451776 432474890 /nfs/dbraw/zinc/47/48/90/432474890.db2.gz ZDAQJFRWYZDXRF-UHFFFAOYSA-N 0 0 317.389 3.483 10 5 DGBERN C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1cccc(F)c1 ZINC000176288029 432507626 /nfs/dbraw/zinc/50/76/26/432507626.db2.gz XOHXFHQNNPHPAQ-WBMJQRKESA-N 0 0 318.352 3.014 10 5 DGBERN Cc1ccc(OC[C@@H](O)COc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000154074079 432469661 /nfs/dbraw/zinc/46/96/61/432469661.db2.gz PCZDGQFVNQFBCZ-OAHLLOKOSA-N 0 0 317.341 3.030 10 5 DGBERN Cc1ccc(NCc2cccnc2-n2ccnc2)c([N+](=O)[O-])c1 ZINC000155558628 432561399 /nfs/dbraw/zinc/56/13/99/432561399.db2.gz ZQSRGORNKXPCID-UHFFFAOYSA-N 0 0 309.329 3.096 10 5 DGBERN CC(C)[C@@H]1C[C@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000185763758 432530450 /nfs/dbraw/zinc/53/04/50/432530450.db2.gz PANOBDYJUWPXAQ-JKSUJKDBSA-N 0 0 302.374 3.378 10 5 DGBERN CCC1CCC(NC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000194327926 432541132 /nfs/dbraw/zinc/54/11/32/432541132.db2.gz MAONTQQVPCYBCI-UHFFFAOYSA-N 0 0 305.378 3.363 10 5 DGBERN CC[C@@H](NC(=O)N(C)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000176689818 432543588 /nfs/dbraw/zinc/54/35/88/432543588.db2.gz JSNDXORKCNWOIW-OAHLLOKOSA-N 0 0 317.345 3.481 10 5 DGBERN COc1cccc(CNc2ccc3ncccc3c2[N+](=O)[O-])n1 ZINC000194625166 432564963 /nfs/dbraw/zinc/56/49/63/432564963.db2.gz VBSZEZANFLXZRX-UHFFFAOYSA-N 0 0 310.313 3.159 10 5 DGBERN Cc1cc([N+](=O)[O-])cn(CCCOc2cccc(Cl)c2)c1=O ZINC000155889014 432580908 /nfs/dbraw/zinc/58/09/08/432580908.db2.gz PLEWOJWJVOBFFY-UHFFFAOYSA-N 0 0 322.748 3.187 10 5 DGBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C1CCCC1 ZINC000186791857 432630058 /nfs/dbraw/zinc/63/00/58/432630058.db2.gz RJPUPSMKYXHQGA-SNVBAGLBSA-N 0 0 307.350 3.304 10 5 DGBERN Cc1ccc([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CCO2)o1 ZINC000158713947 432656110 /nfs/dbraw/zinc/65/61/10/432656110.db2.gz GLTGGBWZQTXNOW-INIZCTEOSA-N 0 0 302.330 3.070 10 5 DGBERN CC[C@@H](NC(=O)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000177803492 432663461 /nfs/dbraw/zinc/66/34/61/432663461.db2.gz IYUWOJDFPCCZDO-MRXNPFEDSA-N 0 0 314.341 3.485 10 5 DGBERN Cc1cc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000225737040 432696183 /nfs/dbraw/zinc/69/61/83/432696183.db2.gz UTYREBJIEFLVDO-CYBMUJFWSA-N 0 0 321.377 3.325 10 5 DGBERN CCNC(=O)c1ccc(O[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178179721 432703198 /nfs/dbraw/zinc/70/31/98/432703198.db2.gz GRBCDGLQQSBFMX-LBPRGKRZSA-N 0 0 314.341 3.485 10 5 DGBERN CC[C@@](C)(CCO)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000230216539 432726447 /nfs/dbraw/zinc/72/64/47/432726447.db2.gz ROUIZDHKMQRHED-LBPRGKRZSA-N 0 0 317.183 3.320 10 5 DGBERN Cc1cccc(N2CC[C@@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000188386701 432721247 /nfs/dbraw/zinc/72/12/47/432721247.db2.gz OEAMYJBCMNSMRI-GFCCVEGCSA-N 0 0 306.362 3.071 10 5 DGBERN Cc1nc([C@H]2CCCN2c2ncc(C)cc2[N+](=O)[O-])cs1 ZINC000275023470 432723160 /nfs/dbraw/zinc/72/31/60/432723160.db2.gz MSRAFOBVZDTKDP-GFCCVEGCSA-N 0 0 304.375 3.405 10 5 DGBERN CCc1noc([C@@H](C)N[C@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000178675855 432765161 /nfs/dbraw/zinc/76/51/61/432765161.db2.gz WBBOFUWABKODKE-ZWNOBZJWSA-N 0 0 304.350 3.342 10 5 DGBERN CCc1noc([C@H](C)N[C@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000178675870 432765188 /nfs/dbraw/zinc/76/51/88/432765188.db2.gz WBBOFUWABKODKE-GXFFZTMASA-N 0 0 304.350 3.342 10 5 DGBERN CCC[C@@H]1C[C@H]1Nc1c(Br)cncc1[N+](=O)[O-] ZINC000231630385 432733117 /nfs/dbraw/zinc/73/31/17/432733117.db2.gz ODURQCHPKJWJKQ-VXNVDRBHSA-N 0 0 300.156 3.353 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(Cl)cn1 ZINC000162946256 432838811 /nfs/dbraw/zinc/83/88/11/432838811.db2.gz XNUUZWXBEKKSEI-UHFFFAOYSA-N 0 0 320.736 3.273 10 5 DGBERN Cc1ccc(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)c(C)n1 ZINC000162055796 432811024 /nfs/dbraw/zinc/81/10/24/432811024.db2.gz ONAHLFCKVBJFAV-UHFFFAOYSA-N 0 0 311.341 3.200 10 5 DGBERN CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000189725235 432813994 /nfs/dbraw/zinc/81/39/94/432813994.db2.gz GCCJPENUQYGLSK-AWEZNQCLSA-N 0 0 308.378 3.041 10 5 DGBERN O=[N+]([O-])c1ccc2c(c1)CN(CCOc1ccc(F)cc1)CC2 ZINC000446711831 433083536 /nfs/dbraw/zinc/08/35/36/433083536.db2.gz OMAZUGULBKNLAO-UHFFFAOYSA-N 0 0 316.332 3.171 10 5 DGBERN CC(C)(CO)[C@H](CNc1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC000446878211 433120071 /nfs/dbraw/zinc/12/00/71/433120071.db2.gz VEIJYUWKDOFPJL-OAHLLOKOSA-N 0 0 315.373 3.204 10 5 DGBERN Cc1c(CNc2ccc3ccc(=O)n(C)c3c2)cccc1[N+](=O)[O-] ZINC000447410372 433201165 /nfs/dbraw/zinc/20/11/65/433201165.db2.gz RSUCDIUIUXCEBY-UHFFFAOYSA-N 0 0 323.352 3.367 10 5 DGBERN CCn1cc(C2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000299629600 433377729 /nfs/dbraw/zinc/37/77/29/433377729.db2.gz SHWKFJQJGDCYTC-UHFFFAOYSA-N 0 0 300.362 3.195 10 5 DGBERN O=[N+]([O-])c1ccc(SCCc2ccc3c(c2)CCO3)nc1 ZINC000448102011 433362016 /nfs/dbraw/zinc/36/20/16/433362016.db2.gz HGTPHSIATPXUIJ-UHFFFAOYSA-N 0 0 302.355 3.260 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCC[C@H](COc3ccccc3)C2)nc1 ZINC000301256453 433473588 /nfs/dbraw/zinc/47/35/88/433473588.db2.gz BLPIQWMVPSIKTA-AWEZNQCLSA-N 0 0 313.357 3.285 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@H](O)c2ccccc2F)c1 ZINC000301519567 433591359 /nfs/dbraw/zinc/59/13/59/433591359.db2.gz KXESLIHHTURZKZ-AWEZNQCLSA-N 0 0 324.283 3.027 10 5 DGBERN COc1cc(NCc2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1F ZINC000301613992 433639548 /nfs/dbraw/zinc/63/95/48/433639548.db2.gz HPVYWLMWQIFWIK-UHFFFAOYSA-N 0 0 321.264 3.263 10 5 DGBERN COc1cc(NCc2ccc(Cl)nc2)c([N+](=O)[O-])cc1F ZINC000301633174 433650388 /nfs/dbraw/zinc/65/03/88/433650388.db2.gz UZLSOXQJLIHIGV-UHFFFAOYSA-N 0 0 311.700 3.403 10 5 DGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@](O)(C(F)(F)F)C1 ZINC000302828271 433878506 /nfs/dbraw/zinc/87/85/06/433878506.db2.gz OCKUDFGQWJVYJA-NSHDSACASA-N 0 0 324.686 3.060 10 5 DGBERN COC(=O)c1cnc(N[C@@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC000302758926 433851519 /nfs/dbraw/zinc/85/15/19/433851519.db2.gz JOEDJLLOOARBSC-QMMMGPOBSA-N 0 0 307.331 3.011 10 5 DGBERN O=[N+]([O-])c1ccc(F)cc1N1CCN(Cc2cccs2)CC1 ZINC000302844034 433882801 /nfs/dbraw/zinc/88/28/01/433882801.db2.gz FOFZTPSNIBTRTO-UHFFFAOYSA-N 0 0 321.377 3.118 10 5 DGBERN CCOc1ccc(C(=O)N2CCC[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000363927428 434187713 /nfs/dbraw/zinc/18/77/13/434187713.db2.gz WUKDKERJIBOMGO-AWEZNQCLSA-N 0 0 318.373 3.398 10 5 DGBERN COC[C@@H](c1ccc(Cl)cc1)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000450482264 434217179 /nfs/dbraw/zinc/21/71/79/434217179.db2.gz GJLMUZYYDBZPHP-AWEZNQCLSA-N 0 0 321.764 3.467 10 5 DGBERN Cc1cc(Nc2ccc([N+](=O)[O-])nc2)nn1C1CCCCC1 ZINC000450532329 434245812 /nfs/dbraw/zinc/24/58/12/434245812.db2.gz OGYLCDHEJDHRPN-UHFFFAOYSA-N 0 0 301.350 3.744 10 5 DGBERN CCOc1ccc(C(=O)N(C)C2CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000458219016 434532705 /nfs/dbraw/zinc/53/27/05/434532705.db2.gz XTYXACODAUIXMZ-UHFFFAOYSA-N 0 0 306.362 3.254 10 5 DGBERN Cc1nc(N2CCO[C@@H](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000408199660 434549763 /nfs/dbraw/zinc/54/97/63/434549763.db2.gz VJTKYCSAOZAQFL-OAHLLOKOSA-N 0 0 305.378 3.084 10 5 DGBERN CC(C)(c1nc(-c2cncs2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000445602820 434814798 /nfs/dbraw/zinc/81/47/98/434814798.db2.gz YOHQWXNSJLLCJG-UHFFFAOYSA-N 0 0 316.342 3.427 10 5 DGBERN COC(=O)c1cc(C)nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000552887263 434872355 /nfs/dbraw/zinc/87/23/55/434872355.db2.gz PNOTYABPZJMPGH-UHFFFAOYSA-N 0 0 321.720 3.482 10 5 DGBERN CCOc1cc(COc2nc(C(C)(C)C)no2)ccc1[N+](=O)[O-] ZINC000492205624 434935294 /nfs/dbraw/zinc/93/52/94/434935294.db2.gz BDAMAJMNYLVPGV-UHFFFAOYSA-N 0 0 321.333 3.253 10 5 DGBERN COC(=O)c1c(C(F)(F)F)ccc([N+](=O)[O-])c1C(F)(F)F ZINC000575380828 435033485 /nfs/dbraw/zinc/03/34/85/435033485.db2.gz RWUZUGFJTIVJIR-UHFFFAOYSA-N 0 0 317.141 3.419 10 5 DGBERN CC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1O ZINC000556893427 435037087 /nfs/dbraw/zinc/03/70/87/435037087.db2.gz UVGIUEAPKPDJJJ-UHFFFAOYSA-N 0 0 320.326 3.125 10 5 DGBERN CC(=O)c1cc(OC(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000575665169 435040759 /nfs/dbraw/zinc/04/07/59/435040759.db2.gz BLZXMZYWBBAVCD-UHFFFAOYSA-N 0 0 315.150 3.297 10 5 DGBERN COc1cc([N+](=O)[O-])c(OC(F)F)cc1OC(F)(F)F ZINC000575665431 435041121 /nfs/dbraw/zinc/04/11/21/435041121.db2.gz DITURECYWHUCDY-UHFFFAOYSA-N 0 0 303.139 3.103 10 5 DGBERN CC(=O)c1c(OC(F)F)cc([N+](=O)[O-])cc1OC(F)(F)F ZINC000575667342 435042321 /nfs/dbraw/zinc/04/23/21/435042321.db2.gz MLZTWMHVTKFTJO-UHFFFAOYSA-N 0 0 315.150 3.297 10 5 DGBERN CC(=O)c1c(OC(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000575682754 435043955 /nfs/dbraw/zinc/04/39/55/435043955.db2.gz AVJMKUAXNMAOAU-UHFFFAOYSA-N 0 0 310.050 3.161 10 5 DGBERN COc1c(Br)c(Br)ccc1[N+](=O)[O-] ZINC000575694299 435045774 /nfs/dbraw/zinc/04/57/74/435045774.db2.gz LLPUUZSUXRNZDL-UHFFFAOYSA-N 0 0 310.929 3.128 10 5 DGBERN CCOC(=O)c1cc(Cl)c([N+](=O)[O-])c(Br)c1 ZINC000575699122 435046609 /nfs/dbraw/zinc/04/66/09/435046609.db2.gz DBWCNWHTGXIASX-UHFFFAOYSA-N 0 0 308.515 3.187 10 5 DGBERN CCOC(=O)Cc1cc([N+](=O)[O-])c(Br)cc1CC ZINC000575698904 435046784 /nfs/dbraw/zinc/04/67/84/435046784.db2.gz DBDTUMKJZKEVQM-UHFFFAOYSA-N 0 0 316.151 3.025 10 5 DGBERN CCOC(=O)c1cc(Br)cc([N+](=O)[O-])c1CC ZINC000575699398 435047181 /nfs/dbraw/zinc/04/71/81/435047181.db2.gz LNSWOAWQAZCINF-UHFFFAOYSA-N 0 0 302.124 3.096 10 5 DGBERN CCOC(=O)Cc1cc(Br)cc(Cl)c1[N+](=O)[O-] ZINC000575700086 435047665 /nfs/dbraw/zinc/04/76/65/435047665.db2.gz OFKLQLJBOYKGFV-UHFFFAOYSA-N 0 0 322.542 3.116 10 5 DGBERN CSc1cc(F)c([N+](=O)[O-])c(I)c1 ZINC000575707201 435048796 /nfs/dbraw/zinc/04/87/96/435048796.db2.gz PBNWNPUVEXGSDM-UHFFFAOYSA-N 0 0 313.091 3.060 10 5 DGBERN CC1(C)CCCC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000579433235 435153877 /nfs/dbraw/zinc/15/38/77/435153877.db2.gz OISCYTMQPHFBIW-LBPRGKRZSA-N 0 0 316.361 3.626 10 5 DGBERN CCc1ccc([C@@H]2CN(c3ccc([N+](=O)[O-])nc3)CCO2)cc1 ZINC000477794269 435280577 /nfs/dbraw/zinc/28/05/77/435280577.db2.gz CNFVVEFZWVPSHJ-INIZCTEOSA-N 0 0 313.357 3.130 10 5 DGBERN COc1ccc(CC[C@@H](C)Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC000567787455 435356095 /nfs/dbraw/zinc/35/60/95/435356095.db2.gz ZORNECQYHOTZSM-GFCCVEGCSA-N 0 0 301.346 3.432 10 5 DGBERN CC(C)=CCNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000480941440 435400991 /nfs/dbraw/zinc/40/09/91/435400991.db2.gz XEWCADYUCSZZGD-UHFFFAOYSA-N 0 0 302.252 3.310 10 5 DGBERN CC(C)(C)OC(=O)NCCCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536954242 435418639 /nfs/dbraw/zinc/41/86/39/435418639.db2.gz KGQWIRBPUNRQFD-UHFFFAOYSA-N 0 0 308.334 3.082 10 5 DGBERN COc1cccc(N2CC[C@@H](C(F)(F)F)[C@H]2C)c1[N+](=O)[O-] ZINC000480556236 435383537 /nfs/dbraw/zinc/38/35/37/435383537.db2.gz QGSNMPFVRVCHQL-RKDXNWHRSA-N 0 0 304.268 3.381 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](OCC3CC3)C2)n1 ZINC000547961608 435658482 /nfs/dbraw/zinc/65/84/82/435658482.db2.gz XVNUXZCUVVMYLT-CQSZACIVSA-N 0 0 305.378 3.002 10 5 DGBERN C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000248639570 300296329 /nfs/dbraw/zinc/29/63/29/300296329.db2.gz BFPFEZBGDIXUMS-SJCJKPOMSA-N 0 0 313.357 3.143 10 5 DGBERN CC(=O)c1cc(N[C@@H](CO)CC2CCCC2)ccc1[N+](=O)[O-] ZINC000571786389 435737493 /nfs/dbraw/zinc/73/74/93/435737493.db2.gz DUJDURMOYWYCOO-CQSZACIVSA-N 0 0 306.362 3.151 10 5 DGBERN Cc1cc([N+](=O)[O-])cnc1N1CC2(CCCC2)OC(C)(C)C1 ZINC000302614664 301433085 /nfs/dbraw/zinc/43/30/85/301433085.db2.gz CDDABKJNOXANAB-UHFFFAOYSA-N 0 0 305.378 3.226 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(N2CC(C)(C)O[C@]3(CCCOC3)C2)c1 ZINC000408339913 301851021 /nfs/dbraw/zinc/85/10/21/301851021.db2.gz SBGQOQKGCNRWJK-QGZVFWFLSA-N 0 0 320.389 3.068 10 5 DGBERN Cc1cnc(N2CCCC[C@H]2c2nccs2)c([N+](=O)[O-])c1 ZINC000266222469 302348708 /nfs/dbraw/zinc/34/87/08/302348708.db2.gz QRPWAWUMXGEHPC-NSHDSACASA-N 0 0 304.375 3.486 10 5 DGBERN CCOc1cc(C(=O)NC[C@H](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000172443789 312748880 /nfs/dbraw/zinc/74/88/80/312748880.db2.gz KOXISBRULUIZGX-NSHDSACASA-N 0 0 324.377 3.024 10 5 DGBERN CC(C)[C@H](C)CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000172579768 312751383 /nfs/dbraw/zinc/75/13/83/312751383.db2.gz XGOSIYBKCBJBAX-CYBMUJFWSA-N 0 0 307.394 3.195 10 5 DGBERN CCOC(=O)CC[C@@H](C)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000179271784 312802000 /nfs/dbraw/zinc/80/20/00/312802000.db2.gz XLZLTBCJRNWJKL-LLVKDONJSA-N 0 0 317.345 3.287 10 5 DGBERN CN(C[C@H]1CC=CCC1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000541331055 314008677 /nfs/dbraw/zinc/00/86/77/314008677.db2.gz WHFWDIINWCDGJU-ZDUSSCGKSA-N 0 0 303.362 3.093 10 5 DGBERN COc1ccc(C[C@@H](C)CNc2ccc([N+](=O)[O-])nc2)cc1 ZINC000550464054 314537531 /nfs/dbraw/zinc/53/75/31/314537531.db2.gz FBIDXWHACDRZHO-GFCCVEGCSA-N 0 0 301.346 3.289 10 5 DGBERN CCOC(=O)c1cc(NCCOCC2CCC2)ccc1[N+](=O)[O-] ZINC000555239003 314717066 /nfs/dbraw/zinc/71/70/66/314717066.db2.gz PTHIOEFJWCVSKT-UHFFFAOYSA-N 0 0 322.361 3.000 10 5 DGBERN C/C(=C\c1ccccc1)CN(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000565810625 315288833 /nfs/dbraw/zinc/28/88/33/315288833.db2.gz PRCDFHVSEBWWAB-JLHYYAGUSA-N 0 0 311.341 3.165 10 5 DGBERN C[C@H](NCc1nc(-c2ccoc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000180416578 323229572 /nfs/dbraw/zinc/22/95/72/323229572.db2.gz VDHTZLXFIHZREQ-JTQLQIEISA-N 0 0 314.301 3.089 10 5 DGBERN CC(C)(C)CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000193678906 323467202 /nfs/dbraw/zinc/46/72/02/323467202.db2.gz LOSSKXZIFBBMNF-UHFFFAOYSA-N 0 0 305.378 3.315 10 5 DGBERN COC(=O)/C(Br)=C/c1ccc(Cl)cc1[N+](=O)[O-] ZINC000584611574 337372211 /nfs/dbraw/zinc/37/22/11/337372211.db2.gz LLYDRCWYZNXZGS-YWEYNIOJSA-N 0 0 320.526 3.157 10 5 DGBERN O=[N+]([O-])c1n[nH]c([N+](=O)[O-])c1SCc1ccc(Cl)cc1 ZINC000584661007 337378262 /nfs/dbraw/zinc/37/82/62/337378262.db2.gz JLANUKWXQPSZPE-UHFFFAOYSA-N 0 0 314.710 3.172 10 5 DGBERN COC(=O)c1cc(Nc2cc(F)cc(OC)c2)ccc1[N+](=O)[O-] ZINC000301960874 533896461 /nfs/dbraw/zinc/89/64/61/533896461.db2.gz QHIHGVLESZMBDA-UHFFFAOYSA-N 0 0 320.276 3.273 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CCC[C@H]3OCC[C@@H]32)c1 ZINC000301659334 533995427 /nfs/dbraw/zinc/99/54/27/533995427.db2.gz MDCYTVVTCQUQEJ-MPKXVKKWSA-N 0 0 310.325 3.112 10 5 DGBERN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000488443302 534880168 /nfs/dbraw/zinc/88/01/68/534880168.db2.gz GMZCGCDBKWQJPH-UONOGXRCSA-N 0 0 310.300 3.279 10 5 DGBERN CC(C)(C)Oc1cc(N[C@@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000301896550 526574649 /nfs/dbraw/zinc/57/46/49/526574649.db2.gz UUYMYFHCAHJQNI-OCCSQVGLSA-N 0 0 308.378 3.488 10 5 DGBERN CC(C)(C)[C@H]1OCCC[C@@H]1CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302057736 526739760 /nfs/dbraw/zinc/73/97/60/526739760.db2.gz RAINEDIBHLXYJY-CJNGLKHVSA-N 0 0 322.405 3.340 10 5 DGBERN CC(C)[C@H](CNc1cc(CO)ccc1[N+](=O)[O-])c1cccnc1 ZINC000302042489 529018087 /nfs/dbraw/zinc/01/80/87/529018087.db2.gz OBUBJTKTSQRADJ-HNNXBMFYSA-N 0 0 315.373 3.334 10 5 DGBERN O=C(OCCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000151252914 620433598 /nfs/dbraw/zinc/43/35/98/620433598.db2.gz SQFOCLZWRHPAER-UHFFFAOYSA-N 0 0 307.252 3.273 10 5 DGBERN CC(C)CCO[C@H](C)C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000151273001 620434970 /nfs/dbraw/zinc/43/49/70/620434970.db2.gz IUJBUQKQJYKALZ-CYBMUJFWSA-N 0 0 309.362 3.132 10 5 DGBERN Cc1cc(C)cc([C@H](O)COc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000152930267 620528872 /nfs/dbraw/zinc/52/88/72/620528872.db2.gz BMTZZGMDTTZIOF-OAHLLOKOSA-N 0 0 305.305 3.463 10 5 DGBERN CC[C@H]1CCC[C@H](OC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000115920213 621159170 /nfs/dbraw/zinc/15/91/70/621159170.db2.gz UBUDASMVOUWZFT-STQMWFEESA-N 0 0 309.366 3.002 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1CC1(Cl)Cl ZINC000103377726 621356075 /nfs/dbraw/zinc/35/60/75/621356075.db2.gz PXOYUGFMUYWCRO-XVKPBYJWSA-N 0 0 315.156 3.066 10 5 DGBERN CN(Cc1ccc(F)cc1)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000120117460 621784415 /nfs/dbraw/zinc/78/44/15/621784415.db2.gz XNZUFJNMEKNBHM-UHFFFAOYSA-N 0 0 324.258 3.284 10 5 DGBERN Cc1cc(NCCCNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000221533521 627219653 /nfs/dbraw/zinc/21/96/53/627219653.db2.gz CQHFIEOFUUJOHF-UHFFFAOYSA-N 0 0 309.366 3.230 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OC[C@H]1CC1(Cl)Cl ZINC000101707011 629778386 /nfs/dbraw/zinc/77/83/86/629778386.db2.gz RZWHIVUUXBPRCO-MRVPVSSYSA-N 0 0 304.129 3.254 10 5 DGBERN C[C@H](OC(=O)c1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000102128396 629952743 /nfs/dbraw/zinc/95/27/43/629952743.db2.gz XMSAHUVOAIFLJY-JTQLQIEISA-N 0 0 311.297 3.389 10 5 DGBERN O=C(NCC[C@H]1CC1(F)F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000701990267 660696477 /nfs/dbraw/zinc/69/64/77/660696477.db2.gz BUJZXFJOASNRLN-ZETCQYMHSA-N 0 0 304.680 3.023 10 5 DGBERN CO[C@@H](COc1cc(Br)ccc1[N+](=O)[O-])C1CC1 ZINC000703806935 660792019 /nfs/dbraw/zinc/79/20/19/660792019.db2.gz RXXHHDDYCLVGIX-LBPRGKRZSA-N 0 0 316.151 3.161 10 5 DGBERN COC1CC(COc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000704221925 660805912 /nfs/dbraw/zinc/80/59/12/660805912.db2.gz XYGAQGMJEHUIAR-UHFFFAOYSA-N 0 0 316.151 3.161 10 5 DGBERN CC[C@H](CSC)Nc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000254994612 655555825 /nfs/dbraw/zinc/55/58/25/655555825.db2.gz LSXGDJRPDQRZAY-WAFBPQNNSA-N 0 0 324.402 3.335 10 5 DGBERN CC[C@H](NC(=O)c1ccc(F)nc1)c1cccc([N+](=O)[O-])c1 ZINC000177797754 655656545 /nfs/dbraw/zinc/65/65/45/655656545.db2.gz SDTRSZWLAXFPSP-ZDUSSCGKSA-N 0 0 303.293 3.010 10 5 DGBERN CC[C@@H](NC(=O)c1ccnc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000177799358 655656886 /nfs/dbraw/zinc/65/68/86/655656886.db2.gz KWJRYRUPIGSAND-CYBMUJFWSA-N 0 0 303.293 3.010 10 5 DGBERN COC[C@H]1C[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000714271776 661198267 /nfs/dbraw/zinc/19/82/67/661198267.db2.gz YNZGHSWGPGKFHI-WAAGHKOSSA-N 0 0 315.167 3.194 10 5 DGBERN Cc1ccc(N2CC[C@@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000176957074 655884566 /nfs/dbraw/zinc/88/45/66/655884566.db2.gz OLXISAJPFKPGSA-GFCCVEGCSA-N 0 0 306.362 3.071 10 5 DGBERN C[C@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCC1 ZINC000177288818 655919926 /nfs/dbraw/zinc/91/99/26/655919926.db2.gz HMQYMAKIMLYFOS-NSHDSACASA-N 0 0 315.329 3.126 10 5 DGBERN CCS[C@@H](C(=O)Oc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000066270641 655942018 /nfs/dbraw/zinc/94/20/18/655942018.db2.gz PHJRITOIBBPNJG-CYBMUJFWSA-N 0 0 313.375 3.287 10 5 DGBERN O=C1COc2cc([N+](=O)[O-])c(N[C@@H]3CC34CCCCC4)cc2N1 ZINC000181263733 655976824 /nfs/dbraw/zinc/97/68/24/655976824.db2.gz NDGLVCLDTLNPHG-CQSZACIVSA-N 0 0 317.345 3.060 10 5 DGBERN O=C(NCC[C@H]1CCCS1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000715972733 661217424 /nfs/dbraw/zinc/21/74/24/661217424.db2.gz JQEIOSRSMUBSNT-SNVBAGLBSA-N 0 0 314.794 3.264 10 5 DGBERN CC(C)[C@H](C)NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000037247187 661222976 /nfs/dbraw/zinc/22/29/76/661222976.db2.gz STGFIHANURUNKN-QMMMGPOBSA-N 0 0 315.167 3.132 10 5 DGBERN CCc1nc(CC(=O)O[C@@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000066876542 656290763 /nfs/dbraw/zinc/29/07/63/656290763.db2.gz NTSAHSQBYCUOGD-JTQLQIEISA-N 0 0 320.370 3.461 10 5 DGBERN O=[N+]([O-])c1cc(F)c(Cl)cc1NCC[C@H](O)C(F)(F)F ZINC000717317580 661261327 /nfs/dbraw/zinc/26/13/27/661261327.db2.gz YFQJQYHROCOWQK-VIFPVBQESA-N 0 0 316.638 3.113 10 5 DGBERN Cc1cccc(CCCOC(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000067021184 656932207 /nfs/dbraw/zinc/93/22/07/656932207.db2.gz CKIGBDZUPILNCN-UHFFFAOYSA-N 0 0 314.341 3.396 10 5 DGBERN C[C@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000178710357 657013745 /nfs/dbraw/zinc/01/37/45/657013745.db2.gz FDEJOSDSUNBBAN-ZETCQYMHSA-N 0 0 314.135 3.313 10 5 DGBERN C[C@@H](OC(=O)c1cnn(C(C)(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000098161088 657972825 /nfs/dbraw/zinc/97/28/25/657972825.db2.gz UYURWUBHCKIAKM-LLVKDONJSA-N 0 0 317.345 3.464 10 5 DGBERN CC1(Nc2ncnc3sc([N+](=O)[O-])cc32)CC(F)(F)C1 ZINC000720998348 658321418 /nfs/dbraw/zinc/32/14/18/658321418.db2.gz QBYJRPLRGJOEJO-UHFFFAOYSA-N 0 0 300.290 3.199 10 5 DGBERN Cc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000119586728 658715667 /nfs/dbraw/zinc/71/56/67/658715667.db2.gz NOAKAHFIPADGOY-MDZDMXLPSA-N 0 0 318.354 3.316 10 5 DGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC[C@H](C)OC ZINC000155757614 658846707 /nfs/dbraw/zinc/84/67/07/658846707.db2.gz PYOFUWRMKCFEAD-JTQLQIEISA-N 0 0 313.375 3.289 10 5 DGBERN Cc1c(C(=O)NC[C@H](C)C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000172445151 659337969 /nfs/dbraw/zinc/33/79/69/659337969.db2.gz QFOXONVKNXGYJR-VIFPVBQESA-N 0 0 323.349 3.142 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(Cl)nc2)c1 ZINC000173042724 659371402 /nfs/dbraw/zinc/37/14/02/659371402.db2.gz ALZVNNBBOXHDTN-UHFFFAOYSA-N 0 0 319.748 3.224 10 5 DGBERN C[C@@H](Oc1ccc([N+](=O)[O-])cc1C=O)c1nc(C(C)(C)C)no1 ZINC000174083791 659411368 /nfs/dbraw/zinc/41/13/68/659411368.db2.gz YLWGJCKZJWRSJL-SECBINFHSA-N 0 0 319.317 3.228 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000174483555 659435548 /nfs/dbraw/zinc/43/55/48/659435548.db2.gz DLCUGASNHWQIQZ-QLFBSQMISA-N 0 0 319.357 3.264 10 5 DGBERN CC(=O)[C@@H]1CCCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000232581576 659439517 /nfs/dbraw/zinc/43/95/17/659439517.db2.gz ZYWOMIIGHRCBBX-SECBINFHSA-N 0 0 300.717 3.193 10 5 DGBERN Cc1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000032548513 659487121 /nfs/dbraw/zinc/48/71/21/659487121.db2.gz NSYICAMDAKVWAZ-UHFFFAOYSA-N 0 0 313.356 3.041 10 5 DGBERN Cc1cc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000032551881 659489329 /nfs/dbraw/zinc/48/93/29/659489329.db2.gz ZCWJUPKUWRYXKY-UHFFFAOYSA-N 0 0 313.356 3.041 10 5 DGBERN O=C(Nc1ccnn1C1CCCCC1)c1ccc([N+](=O)[O-])o1 ZINC000070685522 660075609 /nfs/dbraw/zinc/07/56/09/660075609.db2.gz VUQLRCPLUFBEDC-UHFFFAOYSA-N 0 0 304.306 3.142 10 5 DGBERN COc1ccccc1[C@@H](O)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000042109625 661837871 /nfs/dbraw/zinc/83/78/71/661837871.db2.gz BHAXFBFVSUPQKJ-AWEZNQCLSA-N 0 0 322.748 3.402 10 5 DGBERN O=C(OC[C@H]1CC=CCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000078238499 662056437 /nfs/dbraw/zinc/05/64/37/662056437.db2.gz FDBBKRIWLLWGNB-JTQLQIEISA-N 0 0 306.274 3.016 10 5 DGBERN Cc1nn(CN2CCCC[C@@H]2c2nccs2)c(C)c1[N+](=O)[O-] ZINC000195303889 662183687 /nfs/dbraw/zinc/18/36/87/662183687.db2.gz BNIFCQZESYFRPB-GFCCVEGCSA-N 0 0 321.406 3.049 10 5 DGBERN O=[N+]([O-])c1ccc(Cl)cc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000245411308 662232165 /nfs/dbraw/zinc/23/21/65/662232165.db2.gz WHHBXPZLJZVQGI-HUUCEWRRSA-N 0 0 310.781 3.392 10 5 DGBERN Cc1ccc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2Cl)o1 ZINC000160373573 685099536 /nfs/dbraw/zinc/09/95/36/685099536.db2.gz OAQDRXWRJQJKAW-UHFFFAOYSA-N 0 0 308.721 3.422 10 5 DGBERN CCOCc1nc(Cl)cc(Oc2ccc([N+](=O)[O-])cc2)n1 ZINC000129591627 1176450256 /nfs/dbraw/zinc/45/02/56/1176450256.db2.gz BIKLNYPYCBXITQ-UHFFFAOYSA-N 0 0 309.709 3.367 10 5 DGBERN O=[N+]([O-])c1ccc(NCc2ccns2)c(Br)c1 ZINC000404426535 1176908136 /nfs/dbraw/zinc/90/81/36/1176908136.db2.gz DNJYZLHZGBMWTF-UHFFFAOYSA-N 0 0 314.164 3.426 10 5 DGBERN C[C@H](Cc1ccsc1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000049183826 1194516178 /nfs/dbraw/zinc/51/61/78/1194516178.db2.gz ORBFOBHAYUILGX-SECBINFHSA-N 0 0 308.334 3.156 10 5 DGBERN O=[N+]([O-])c1cc(Br)ccc1NCc1ccns1 ZINC000404468177 1199562363 /nfs/dbraw/zinc/56/23/63/1199562363.db2.gz YQNRTHVTRAQXAH-UHFFFAOYSA-N 0 0 314.164 3.426 10 5 DGBERN O=[N+]([O-])c1cccc(CNCc2ncccc2Br)c1 ZINC000311408028 1199739564 /nfs/dbraw/zinc/73/95/64/1199739564.db2.gz HVDDMPMBXBHISI-UHFFFAOYSA-N 0 0 322.162 3.042 10 5 DGBERN O=[N+]([O-])c1ccccc1CNc1cccc(Br)n1 ZINC000229297834 1202547696 /nfs/dbraw/zinc/54/76/96/1202547696.db2.gz YKCLTECQVPFEMK-UHFFFAOYSA-N 0 0 308.135 3.364 10 5 DGBERN O=[N+]([O-])c1ccc(Br)c(OCc2cncs2)c1 ZINC000230878567 1202598749 /nfs/dbraw/zinc/59/87/49/1202598749.db2.gz VZZBQQDFQRVSTM-UHFFFAOYSA-N 0 0 315.148 3.393 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC(F)(F)F ZINC000588436868 1082269320 /nfs/dbraw/zinc/26/93/20/1082269320.db2.gz WSEAXBMCAZESFT-CLFYSBASSA-N 0 0 302.252 3.019 10 5 DGBERN COc1ncccc1NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588436991 1082270388 /nfs/dbraw/zinc/27/03/88/1082270388.db2.gz BLKVXQGSDGOQQZ-KHPPLWFESA-N 0 0 313.313 3.040 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCS[C@H](C)[C@H]1C ZINC000588439050 1082284100 /nfs/dbraw/zinc/28/41/00/1082284100.db2.gz ZSURLURXVJQRIF-QVDRPMGRSA-N 0 0 320.414 3.351 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nn1cnc2ccccc21 ZINC000588443887 1082288267 /nfs/dbraw/zinc/28/82/67/1082288267.db2.gz LTOGSQSLKUGEOA-BENRWUELSA-N 0 0 322.324 3.118 10 5 DGBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ncccc1C ZINC000588445457 1082291237 /nfs/dbraw/zinc/29/12/37/1082291237.db2.gz NLHHJHLNBXGDDF-RAXLEYEMSA-N 0 0 311.341 3.018 10 5 DGBERN CCCCOCCOC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588447102 1082295366 /nfs/dbraw/zinc/29/53/66/1082295366.db2.gz QXMHHIMWAWMKOD-SEYXRHQNSA-N 0 0 307.346 3.358 10 5 DGBERN CC(C)(NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)(F)F ZINC000407215488 1083201622 /nfs/dbraw/zinc/20/16/22/1083201622.db2.gz NGSRAHUJXQRZSX-UHFFFAOYSA-N 0 0 306.696 3.412 10 5 DGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1C1CCC1 ZINC000102875198 185424404 /nfs/dbraw/zinc/42/44/04/185424404.db2.gz DGEKLOGTQMBFGA-MRXNPFEDSA-N 0 0 313.357 3.481 10 5 DGBERN O=[N+]([O-])c1ccccc1OCc1nc(-c2cccc(F)c2)n[nH]1 ZINC000072237539 191081170 /nfs/dbraw/zinc/08/11/70/191081170.db2.gz SHBMCODLMHNOSB-UHFFFAOYSA-N 0 0 314.276 3.098 10 5 DGBERN Cc1ccc(NC(=O)c2ccc(-c3ncon3)cc2)cc1[N+](=O)[O-] ZINC000107092045 432026945 /nfs/dbraw/zinc/02/69/45/432026945.db2.gz BEMQSPWUCUBCAA-UHFFFAOYSA-N 0 0 324.296 3.206 10 5 DGBERN O=[N+]([O-])c1ccc(-c2ccnc3nc(-c4cccs4)nn32)cc1 ZINC000072451430 191170271 /nfs/dbraw/zinc/17/02/71/191170271.db2.gz ZQZRUOCQECPOSP-UHFFFAOYSA-N 0 0 323.337 3.428 10 5 DGBERN CC/C(=C/c1cc(Br)c(O)c(OC)c1)[N+](=O)[O-] ZINC000000433540 180789885 /nfs/dbraw/zinc/78/98/85/180789885.db2.gz UYTHSMBDWJZUKQ-YWEYNIOJSA-N 0 0 302.124 3.191 10 5 DGBERN Cc1sc(C(=O)N[C@H](C)CCc2cccn2C)cc1[N+](=O)[O-] ZINC000174601434 198357638 /nfs/dbraw/zinc/35/76/38/198357638.db2.gz MWJBGGWLPWZIDI-SNVBAGLBSA-N 0 0 321.402 3.054 10 5 DGBERN Cc1cccc(OCc2nc(-c3ccoc3)no2)c1[N+](=O)[O-] ZINC000131209935 432033730 /nfs/dbraw/zinc/03/37/30/432033730.db2.gz JIDZMKNFQUFAMQ-UHFFFAOYSA-N 0 0 301.258 3.125 10 5 DGBERN C[C@H](C(=O)OC(C)(C)C)N(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000131488658 432038699 /nfs/dbraw/zinc/03/86/99/432038699.db2.gz KQBXBFUDNYSNEY-AORWBKJGSA-N 0 0 320.389 3.270 10 5 DGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1(C)C ZINC000077354258 191697706 /nfs/dbraw/zinc/69/77/06/191697706.db2.gz VUDAMUQTRAEMBD-NSHDSACASA-N 0 0 308.403 3.476 10 5 DGBERN O=C(Nc1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1Cl ZINC000005584112 181260664 /nfs/dbraw/zinc/26/06/64/181260664.db2.gz RGTDUFUFNBSWRG-UHFFFAOYSA-N 0 0 321.676 3.409 10 5 DGBERN CCc1noc(C)c1NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000132832233 432054960 /nfs/dbraw/zinc/05/49/60/432054960.db2.gz ZDAQYTIWYZQBBI-UHFFFAOYSA-N 0 0 303.318 3.268 10 5 DGBERN CCc1noc(C)c1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132926985 432056040 /nfs/dbraw/zinc/05/60/40/432056040.db2.gz AVDLOZHBGFAUMI-UHFFFAOYSA-N 0 0 309.709 3.359 10 5 DGBERN CCCCO[C@@H](C)C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000177804537 198780012 /nfs/dbraw/zinc/78/00/12/198780012.db2.gz KSYCDHCWKMEFJC-SWLSCSKDSA-N 0 0 308.378 3.367 10 5 DGBERN Cc1nc(NC(=O)C2(c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000133607803 432068061 /nfs/dbraw/zinc/06/80/61/432068061.db2.gz RMUMXVRYNCGKBI-UHFFFAOYSA-N 0 0 315.304 3.108 10 5 DGBERN CCC(C)(C)[C@@H]1CCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000133974939 432072021 /nfs/dbraw/zinc/07/20/21/432072021.db2.gz OXEPLDMHCSTABB-HNNXBMFYSA-N 0 0 320.389 3.401 10 5 DGBERN COCc1ccsc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000179853005 432072608 /nfs/dbraw/zinc/07/26/08/432072608.db2.gz ULTQAHKIEBGDCV-UHFFFAOYSA-N 0 0 306.343 3.363 10 5 DGBERN CC(C)[C@@H]1C[C@@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000185169675 199818118 /nfs/dbraw/zinc/81/81/18/199818118.db2.gz LPQJCORVCHGCEK-STQMWFEESA-N 0 0 310.781 3.499 10 5 DGBERN CSCCCCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000186946860 200036320 /nfs/dbraw/zinc/03/63/20/200036320.db2.gz NOASKPKJYIVOGE-UHFFFAOYSA-N 0 0 321.402 3.339 10 5 DGBERN Cc1nc([C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000186995404 200045581 /nfs/dbraw/zinc/04/55/81/200045581.db2.gz BLUOTPJNJZWSHX-CQSZACIVSA-N 0 0 317.370 3.337 10 5 DGBERN CCC1(CC)CN(Cc2ccc(C)c([N+](=O)[O-])c2)CC[S@]1=O ZINC000187554008 200127252 /nfs/dbraw/zinc/12/72/52/200127252.db2.gz YTILWPUXBSRZDM-JOCHJYFZSA-N 0 0 324.446 3.026 10 5 DGBERN COc1ccc(F)cc1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000189213440 200364531 /nfs/dbraw/zinc/36/45/31/200364531.db2.gz IODKUYFEXWPSLT-UHFFFAOYSA-N 0 0 304.321 3.341 10 5 DGBERN CC[C@]1(C)CN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000189307109 200379829 /nfs/dbraw/zinc/37/98/29/200379829.db2.gz KJSOTRLWVXDKPH-MLFXKNMZSA-N 0 0 318.373 3.026 10 5 DGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000190008813 200473715 /nfs/dbraw/zinc/47/37/15/200473715.db2.gz AVMJAKMVRCVXFG-CZUORRHYSA-N 0 0 320.389 3.147 10 5 DGBERN CO[C@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC[C@@H]1C ZINC000190266782 200509587 /nfs/dbraw/zinc/50/95/87/200509587.db2.gz DABNGNANFIOVLT-HZMBPMFUSA-N 0 0 321.377 3.100 10 5 DGBERN COC(C)(C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000170967091 432090303 /nfs/dbraw/zinc/09/03/03/432090303.db2.gz CRBQQXKLXUNQIQ-UHFFFAOYSA-N 0 0 321.358 3.082 10 5 DGBERN COc1ccc(CCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000006272376 181324835 /nfs/dbraw/zinc/32/48/35/181324835.db2.gz VJQYKMLMXYUNGE-UHFFFAOYSA-N 0 0 314.341 3.483 10 5 DGBERN O=[N+]([O-])c1cc(Cl)ccc1NCc1ccc(CO)c(F)c1 ZINC000193865472 201134871 /nfs/dbraw/zinc/13/48/71/201134871.db2.gz TYTPVYSIUQLBDF-UHFFFAOYSA-N 0 0 310.712 3.492 10 5 DGBERN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000194685452 201272535 /nfs/dbraw/zinc/27/25/35/201272535.db2.gz JTECNRSWWYWAFR-GJZGRUSLSA-N 0 0 310.353 3.437 10 5 DGBERN COc1cc([N+](=O)[O-])c(C(C)=O)cc1OCc1ccccc1 ZINC000091302018 193035561 /nfs/dbraw/zinc/03/55/61/193035561.db2.gz JXWMTYKFVWJURG-UHFFFAOYSA-N 0 0 301.298 3.385 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000091353214 193046758 /nfs/dbraw/zinc/04/67/58/193046758.db2.gz MGDTWAVMKVCJKD-UHFFFAOYSA-N 0 0 319.361 3.322 10 5 DGBERN COc1cc(F)cc(C[C@@H](C)Nc2ccc([N+](=O)[O-])nc2)c1 ZINC000450949314 240945691 /nfs/dbraw/zinc/94/56/91/240945691.db2.gz JHXPKGBGZKAQRL-SNVBAGLBSA-N 0 0 305.309 3.181 10 5 DGBERN CCOc1ccc(C(=O)NCc2cc(C)cs2)cc1[N+](=O)[O-] ZINC000456133468 242358157 /nfs/dbraw/zinc/35/81/57/242358157.db2.gz STGBSVLEXXFKAI-UHFFFAOYSA-N 0 0 320.370 3.293 10 5 DGBERN CC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1C ZINC000089997554 283979337 /nfs/dbraw/zinc/97/93/37/283979337.db2.gz OJCAXYPIDMMLMA-UHFFFAOYSA-N 0 0 313.313 3.062 10 5 DGBERN CN(CC1CC1)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462492446 243665651 /nfs/dbraw/zinc/66/56/51/243665651.db2.gz WGACBOJNVWCARE-UHFFFAOYSA-N 0 0 313.357 3.415 10 5 DGBERN CCc1ccc(C(=O)N[C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000488930264 245249501 /nfs/dbraw/zinc/24/95/01/245249501.db2.gz FGGZLEUUBBNMCM-GFCCVEGCSA-N 0 0 312.316 3.465 10 5 DGBERN O=C(N[C@@H]1CCCC(F)(F)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000488960442 245253711 /nfs/dbraw/zinc/25/37/11/245253711.db2.gz KTBYDWRHDZNDRX-SNVBAGLBSA-N 0 0 323.299 3.384 10 5 DGBERN COc1cc([N+](=O)[O-])ccc1NC(=S)N[C@H]1CCCC[C@H]1C ZINC000013822292 181902807 /nfs/dbraw/zinc/90/28/07/181902807.db2.gz CHNHAIIJLJEZAD-PWSUYJOCSA-N 0 0 323.418 3.469 10 5 DGBERN CC(=O)Nc1ccc(Sc2ccccc2N)c([N+](=O)[O-])c1 ZINC000015020254 181984208 /nfs/dbraw/zinc/98/42/08/181984208.db2.gz GCQOIFOJPTWEEO-UHFFFAOYSA-N 0 0 303.343 3.287 10 5 DGBERN C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)NC1CCCCCC1 ZINC000015682997 182012290 /nfs/dbraw/zinc/01/22/90/182012290.db2.gz VCJCCSZAGTWLMS-LBPRGKRZSA-N 0 0 306.362 3.201 10 5 DGBERN O=C(NCCCc1cccc(F)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000129875290 284425491 /nfs/dbraw/zinc/42/54/91/284425491.db2.gz XRUVKLYTHCKNEY-UHFFFAOYSA-N 0 0 320.295 3.236 10 5 DGBERN C[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000027893026 182496333 /nfs/dbraw/zinc/49/63/33/182496333.db2.gz HRIYVSWGTJYXFV-ABAIWWIYSA-N 0 0 320.389 3.190 10 5 DGBERN O=[N+]([O-])c1c(Oc2cccnc2)ncnc1OC1CCCCC1 ZINC000040660461 183114861 /nfs/dbraw/zinc/11/48/61/183114861.db2.gz LNYZGBGVDWQHFY-UHFFFAOYSA-N 0 0 316.317 3.284 10 5 DGBERN O=[N+]([O-])c1c(Oc2ccccc2)ncnc1Oc1cccnc1 ZINC000040659722 183114944 /nfs/dbraw/zinc/11/49/44/183114944.db2.gz NUJQGXFBQYRQJB-UHFFFAOYSA-N 0 0 310.269 3.364 10 5 DGBERN CCCCNc1ncnc(Oc2ccc(OC)cc2)c1[N+](=O)[O-] ZINC000040595514 183106400 /nfs/dbraw/zinc/10/64/00/183106400.db2.gz NKCOHYBCNIKSRC-UHFFFAOYSA-N 0 0 318.333 3.398 10 5 DGBERN CCNc1ncnc(Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-] ZINC000040596512 183107182 /nfs/dbraw/zinc/10/71/82/183107182.db2.gz DHKLXQBKONEIGH-UHFFFAOYSA-N 0 0 311.704 3.353 10 5 DGBERN CC(C)Nc1ncnc(Nc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000040597764 183107285 /nfs/dbraw/zinc/10/72/85/183107285.db2.gz RHRXIQPQZWYPSV-UHFFFAOYSA-N 0 0 309.276 3.227 10 5 DGBERN O=[N+]([O-])c1c(NC2CCCC2)ncnc1N1CCCCCC1 ZINC000040610138 183108725 /nfs/dbraw/zinc/10/87/25/183108725.db2.gz GBDRFZPLZRMJJS-UHFFFAOYSA-N 0 0 305.382 3.120 10 5 DGBERN Cc1ccc(NC(=S)NC(=O)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000040898826 183147220 /nfs/dbraw/zinc/14/72/20/183147220.db2.gz AHZOCAQISXZHEX-UHFFFAOYSA-N 0 0 321.402 3.297 10 5 DGBERN CCc1cccc(OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000040868492 183144601 /nfs/dbraw/zinc/14/46/01/183144601.db2.gz YIQQLIQDIDAPPX-UHFFFAOYSA-N 0 0 314.341 3.483 10 5 DGBERN O=[N+]([O-])c1ncccc1OCc1csc(Br)c1 ZINC000042151805 183236139 /nfs/dbraw/zinc/23/61/39/183236139.db2.gz DWTXPPNIAYTHJT-UHFFFAOYSA-N 0 0 315.148 3.393 10 5 DGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC(C1CC1)C1CC1 ZINC000274107595 211361905 /nfs/dbraw/zinc/36/19/05/211361905.db2.gz TXRNWAGGQJCPHB-UHFFFAOYSA-N 0 0 308.765 3.475 10 5 DGBERN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000046625534 183565530 /nfs/dbraw/zinc/56/55/30/183565530.db2.gz IOXPIWFIIJJFGI-ZDUSSCGKSA-N 0 0 318.304 3.174 10 5 DGBERN C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1ccccc1F ZINC000105712986 194120471 /nfs/dbraw/zinc/12/04/71/194120471.db2.gz ZSBUYIDTWJNFDV-LLVKDONJSA-N 0 0 323.345 3.410 10 5 DGBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCO[C@H]2CCCC[C@H]21 ZINC000109742609 194281463 /nfs/dbraw/zinc/28/14/63/194281463.db2.gz IXMACBCMUUODQD-YPMHNXCESA-N 0 0 324.764 3.032 10 5 DGBERN O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000061873771 184191051 /nfs/dbraw/zinc/19/10/51/184191051.db2.gz MRGOYOGEDFQHSD-UHFFFAOYSA-N 0 0 322.118 3.005 10 5 DGBERN COc1ccc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)cnc2c1 ZINC000065008855 184308315 /nfs/dbraw/zinc/30/83/15/184308315.db2.gz GFTVQHVJJBALLZ-UHFFFAOYSA-N 0 0 323.308 3.404 10 5 DGBERN O=[N+]([O-])c1cc(F)ccc1Oc1ncc(Br)cn1 ZINC000067120346 184450613 /nfs/dbraw/zinc/45/06/13/184450613.db2.gz GSUURQYOOLKLSM-UHFFFAOYSA-N 0 0 314.070 3.079 10 5 DGBERN Cc1ccc([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000088252972 252607723 /nfs/dbraw/zinc/60/77/23/252607723.db2.gz QGXNJUOZUDVCFH-LBPRGKRZSA-N 0 0 316.332 3.462 10 5 DGBERN CC[C@H](NC(=O)c1cc(C(C)=O)c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000090090276 252612808 /nfs/dbraw/zinc/61/28/08/252612808.db2.gz YTGIUZWXFGGMPI-AWEZNQCLSA-N 0 0 315.329 3.007 10 5 DGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H](C)C1CCOCC1 ZINC000165760383 207590283 /nfs/dbraw/zinc/59/02/83/207590283.db2.gz KDCRDGOIVXUNCT-LLVKDONJSA-N 0 0 306.362 3.213 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCCC[C@H]2CC(C)C)n1 ZINC000191630701 252755601 /nfs/dbraw/zinc/75/56/01/252755601.db2.gz DRHAKBPTNYWGIV-ZDUSSCGKSA-N 0 0 322.409 3.242 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)CNc1ccccc1 ZINC000119680991 195015567 /nfs/dbraw/zinc/01/55/67/195015567.db2.gz ZJSWUFYLYWCLNO-CYBMUJFWSA-N 0 0 313.357 3.134 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCCO[C@H]2c2ccncc2)c(F)c1 ZINC000336937049 253024454 /nfs/dbraw/zinc/02/44/54/253024454.db2.gz VECHDASKCWBYHQ-CVEARBPZSA-N 0 0 317.320 3.461 10 5 DGBERN O=C(NC/C=C\c1ccccc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000255319982 285145932 /nfs/dbraw/zinc/14/59/32/285145932.db2.gz MYMSEFBRWDFENC-DAXSKMNVSA-N 0 0 311.341 3.107 10 5 DGBERN O=C(NC/C=C\c1ccccc1)NCc1cccc([N+](=O)[O-])c1 ZINC000255557018 285164214 /nfs/dbraw/zinc/16/42/14/285164214.db2.gz HQPPYYNRYOFXCM-UITAMQMPSA-N 0 0 311.341 3.107 10 5 DGBERN CC(=O)c1cc(NCc2ccc(Cl)cn2)ccc1[N+](=O)[O-] ZINC000342916736 254074490 /nfs/dbraw/zinc/07/44/90/254074490.db2.gz KNECVQBHYLWZRQ-UHFFFAOYSA-N 0 0 305.721 3.458 10 5 DGBERN Cc1c(CC(=O)NC/C=C\c2ccccc2)cccc1[N+](=O)[O-] ZINC000255691009 285174687 /nfs/dbraw/zinc/17/46/87/285174687.db2.gz YXYDDOLBFUBLAD-TWGQIWQCSA-N 0 0 310.353 3.275 10 5 DGBERN CCN1C(=O)c2ccccc2N[C@@H]1c1ccc([N+](=O)[O-])cc1C ZINC000183948743 285176884 /nfs/dbraw/zinc/17/68/84/285176884.db2.gz FMSJOYIGEWKZRW-INIZCTEOSA-N 0 0 311.341 3.490 10 5 DGBERN COC(=O)c1ccc([N+](=O)[O-])c(N2CCCC[C@@H](SC)C2)c1 ZINC000302168632 292017098 /nfs/dbraw/zinc/01/70/98/292017098.db2.gz LOLKCPTWSHXMIO-GFCCVEGCSA-N 0 0 324.402 3.103 10 5 DGBERN Cc1ccc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c(C)n1 ZINC000114101298 292054962 /nfs/dbraw/zinc/05/49/62/292054962.db2.gz GLFONGXFQOQXAI-UHFFFAOYSA-N 0 0 311.341 3.200 10 5 DGBERN CCOc1cc(SC(=S)N2CCCC2)ccc1[N+](=O)[O-] ZINC000092582506 400183141 /nfs/dbraw/zinc/18/31/41/400183141.db2.gz UEXGMZAJHPZNFE-UHFFFAOYSA-N 0 0 312.416 3.466 10 5 DGBERN COc1ccc(C[C@H](C)Nc2cccnc2[N+](=O)[O-])cc1OC ZINC000609289415 400157281 /nfs/dbraw/zinc/15/72/81/400157281.db2.gz ZCNLSDWOAHPMKS-NSHDSACASA-N 0 0 317.345 3.050 10 5 DGBERN O=[N+]([O-])c1ccc([O-])cc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000093665700 400251589 /nfs/dbraw/zinc/25/15/89/400251589.db2.gz VYYWEOXRBGBXMG-INIZCTEOSA-N 0 0 320.389 3.224 10 5 DGBERN COC(=O)c1cc(N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)ccc1[N+](=O)[O-] ZINC000092684824 400194893 /nfs/dbraw/zinc/19/48/93/400194893.db2.gz DCUFKQUTCBMOBO-HYVNUMGLSA-N 0 0 324.336 3.132 10 5 DGBERN Cc1cc(N[C@H](CO)c2ccc(Cl)cc2)ncc1[N+](=O)[O-] ZINC000092961026 400216116 /nfs/dbraw/zinc/21/61/16/400216116.db2.gz GWLVIIZSASQILY-GFCCVEGCSA-N 0 0 307.737 3.097 10 5 DGBERN CCc1nn(C)c(N2CCC[C@@]3(CC=CCC3)C2)c1[N+](=O)[O-] ZINC000094159423 400271744 /nfs/dbraw/zinc/27/17/44/400271744.db2.gz JIFMWQGUNLWABY-INIZCTEOSA-N 0 0 304.394 3.217 10 5 DGBERN O=[N+]([O-])c1ccnc(Br)c1SC(F)(F)F ZINC000396160471 400281571 /nfs/dbraw/zinc/28/15/71/400281571.db2.gz YGXGLYSQQOUGQF-UHFFFAOYSA-N 0 0 303.059 3.364 10 5 DGBERN COc1cc(OC)c2ncc([N+](=O)[O-])c(Cl)c2c1Cl ZINC000098061857 400289494 /nfs/dbraw/zinc/28/94/94/400289494.db2.gz PHGBALARGJHJMH-UHFFFAOYSA-N 0 0 303.101 3.467 10 5 DGBERN O=[N+]([O-])c1cccc(Br)c1N[C@@H]1CCC[C@H](O)C1 ZINC000596081889 400311911 /nfs/dbraw/zinc/31/19/11/400311911.db2.gz BHYISGJMXAGHJH-BDAKNGLRSA-N 0 0 315.167 3.073 10 5 DGBERN CC(=O)c1nnc(-c2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC000536960701 400315422 /nfs/dbraw/zinc/31/54/22/400315422.db2.gz SRYDVHJRHXQUFO-UHFFFAOYSA-N 0 0 311.219 3.273 10 5 DGBERN Cc1sc(C(=O)N[C@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000033206411 400381878 /nfs/dbraw/zinc/38/18/78/400381878.db2.gz JSTUAVUCAJTDBY-MRVPVSSYSA-N 0 0 310.400 3.387 10 5 DGBERN O=[N+]([O-])c1ccc(N2CCS[C@H](c3ccccc3)C2)cn1 ZINC000611030320 400339513 /nfs/dbraw/zinc/33/95/13/400339513.db2.gz DMZKIWNHWDEJBI-AWEZNQCLSA-N 0 0 301.371 3.284 10 5 DGBERN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H](C2CC2)C1 ZINC000589943107 400339953 /nfs/dbraw/zinc/33/99/53/400339953.db2.gz LVNPDGNVJGZHRZ-LLVKDONJSA-N 0 0 324.327 3.064 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2nccn2c1 ZINC000611280656 400372671 /nfs/dbraw/zinc/37/26/71/400372671.db2.gz XOTDOEBHKLGBNH-UHFFFAOYSA-N 0 0 324.340 3.420 10 5 DGBERN COc1ccc(COc2ccccc2[N+](=O)[O-])c(OC)c1OC ZINC000115906549 400402894 /nfs/dbraw/zinc/40/28/94/400402894.db2.gz LGEPWXKZNRHBAH-UHFFFAOYSA-N 0 0 319.313 3.200 10 5 DGBERN O=[N+]([O-])c1ccc(N(Cc2c(F)cccc2F)C2CC2)cn1 ZINC000357907853 285914890 /nfs/dbraw/zinc/91/48/90/285914890.db2.gz UPKBAOUBGIWDSD-UHFFFAOYSA-N 0 0 305.284 3.437 10 5 DGBERN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC000612614252 400575401 /nfs/dbraw/zinc/57/54/01/400575401.db2.gz JMAODOWTIHQROX-JTQLQIEISA-N 0 0 318.308 3.054 10 5 DGBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(Cl)cn1 ZINC000129276254 400524024 /nfs/dbraw/zinc/52/40/24/400524024.db2.gz CZIJDZCCZVIVGA-SECBINFHSA-N 0 0 317.732 3.235 10 5 DGBERN CC(=O)N(C)c1cccc(Nc2ncc(C)cc2[N+](=O)[O-])c1 ZINC000075066366 400557174 /nfs/dbraw/zinc/55/71/74/400557174.db2.gz CZIIYQPFKBNOJE-UHFFFAOYSA-N 0 0 300.318 3.025 10 5 DGBERN CCOc1cccc(N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000613048954 400648095 /nfs/dbraw/zinc/64/80/95/400648095.db2.gz GLXDJSAPFCRRFL-TZMCWYRMSA-N 0 0 322.405 3.227 10 5 DGBERN COC(=O)c1cn(C(=O)OC(C)(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000147333076 400651979 /nfs/dbraw/zinc/65/19/79/400651979.db2.gz GEJVHDCHBRPIEU-UHFFFAOYSA-N 0 0 320.301 3.119 10 5 DGBERN COCC[C@@H]1CCCCN(c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000613433691 400719070 /nfs/dbraw/zinc/71/90/70/400719070.db2.gz FAJCYAGPXQWFRZ-ZDUSSCGKSA-N 0 0 308.378 3.246 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000053374711 400779963 /nfs/dbraw/zinc/77/99/63/400779963.db2.gz MLKGNJUFATZGAS-LLVKDONJSA-N 0 0 317.320 3.271 10 5 DGBERN CC[C@@H](NC(=O)N(C)[C@@H](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000176688942 400872221 /nfs/dbraw/zinc/87/22/21/400872221.db2.gz ZEFVELIPABSMBO-XHDPSFHLSA-N 0 0 305.378 3.486 10 5 DGBERN Cc1cnc(N2CCC[C@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])c1 ZINC000614150334 400844475 /nfs/dbraw/zinc/84/44/75/400844475.db2.gz QLBWHMXZQIVKQU-ZJUUUORDSA-N 0 0 303.284 3.465 10 5 DGBERN CC(=O)c1cc(N[C@H](C2CC2)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000593492228 400864914 /nfs/dbraw/zinc/86/49/14/400864914.db2.gz UHWHJYUATNJGRN-QGZVFWFLSA-N 0 0 318.373 3.415 10 5 DGBERN COCCOc1ccc([N+](=O)[O-])cc1OCc1ccccc1 ZINC000218013615 400950903 /nfs/dbraw/zinc/95/09/03/400950903.db2.gz SFHORKDUCRNMGT-UHFFFAOYSA-N 0 0 303.314 3.199 10 5 DGBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000246489379 401030308 /nfs/dbraw/zinc/03/03/08/401030308.db2.gz IHTHQIFZGHGDNA-YZOIGVHSSA-N 0 0 300.358 3.309 10 5 DGBERN Cc1noc(C)c1CCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000084928222 401162655 /nfs/dbraw/zinc/16/26/55/401162655.db2.gz JACFITRBHDCEOE-UHFFFAOYSA-N 0 0 310.741 3.293 10 5 DGBERN CO[C@H]1CN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC[C@H]1C ZINC000302517083 286074537 /nfs/dbraw/zinc/07/45/37/286074537.db2.gz ASVLVLZMITWZKU-BZNIZROVSA-N 0 0 315.373 3.313 10 5 DGBERN CO[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[C@@H]1C ZINC000302518968 286074866 /nfs/dbraw/zinc/07/48/66/286074866.db2.gz BDGAVRUTCBVHBS-ZANVPECISA-N 0 0 318.295 3.475 10 5 DGBERN O=[N+]([O-])c1cc(Cl)cnc1NC[C@H](CO)CC1CCCC1 ZINC000359286908 286275856 /nfs/dbraw/zinc/27/58/56/286275856.db2.gz HXCATCMAOWMXRE-LLVKDONJSA-N 0 0 313.785 3.244 10 5 DGBERN COc1ccc([N+](=O)[O-])c(N2CCC(OCC(C)C)CC2)c1 ZINC000266346358 286382080 /nfs/dbraw/zinc/38/20/80/286382080.db2.gz IWPZKMIMINDSQU-UHFFFAOYSA-N 0 0 308.378 3.245 10 5 DGBERN COc1cccc(C(=O)NC2CCC(C)(C)CC2)c1[N+](=O)[O-] ZINC000194453373 286443654 /nfs/dbraw/zinc/44/36/54/286443654.db2.gz YTZVOBAOKSDOGW-UHFFFAOYSA-N 0 0 306.362 3.302 10 5 DGBERN Cc1ccc2c(c1)N(C(=O)c1cc([N+](=O)[O-])cnc1C)CCC2 ZINC000110394024 292331671 /nfs/dbraw/zinc/33/16/71/292331671.db2.gz QDCNGYQWEIMIAR-UHFFFAOYSA-N 0 0 311.341 3.200 10 5 DGBERN CCC1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCCCC1 ZINC000408232371 165950677 /nfs/dbraw/zinc/95/06/77/165950677.db2.gz NUSKABGCATUDIU-UHFFFAOYSA-N 0 0 317.389 3.235 10 5 DGBERN Cc1ccnc(C2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)n1 ZINC000363773816 286956591 /nfs/dbraw/zinc/95/65/91/286956591.db2.gz CXFLBJILRPTBHY-UHFFFAOYSA-N 0 0 316.336 3.216 10 5 DGBERN C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000185641131 165011043 /nfs/dbraw/zinc/01/10/43/165011043.db2.gz DUFMAMKFMTVUFP-NHYWBVRUSA-N 0 0 316.332 3.388 10 5 DGBERN C[C@@H](Sc1nc2cncnc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000186755082 165059003 /nfs/dbraw/zinc/05/90/03/165059003.db2.gz WLWNASUYATTYIX-MRVPVSSYSA-N 0 0 301.331 3.114 10 5 DGBERN CSC1(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000189202260 165154349 /nfs/dbraw/zinc/15/43/49/165154349.db2.gz WLGGVEOYVIOVFX-UHFFFAOYSA-N 0 0 317.370 3.286 10 5 DGBERN O=[N+]([O-])c1cnc(N2CCC[C@H]2c2ccc3c(c2)OCO3)s1 ZINC000190324570 165197228 /nfs/dbraw/zinc/19/72/28/165197228.db2.gz MODXVKBAPQISBQ-JTQLQIEISA-N 0 0 319.342 3.122 10 5 DGBERN C[C@@H]1c2cccn2CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195213821 165361951 /nfs/dbraw/zinc/36/19/51/165361951.db2.gz KWUGHIRUVWIUCT-LLVKDONJSA-N 0 0 324.340 3.095 10 5 DGBERN C[C@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@@H](c2ccc(F)cc2)O1 ZINC000249291306 165672263 /nfs/dbraw/zinc/67/22/63/165672263.db2.gz PRPCUEULAKWCRC-CABZTGNLSA-N 0 0 323.349 3.157 10 5 DGBERN C[C@@H](NC(=O)N1CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000171868578 432180598 /nfs/dbraw/zinc/18/05/98/432180598.db2.gz ODSLVURGVDEMPN-GFCCVEGCSA-N 0 0 305.378 3.487 10 5 DGBERN CC(C)(F)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000182285945 432175709 /nfs/dbraw/zinc/17/57/09/432175709.db2.gz ARSKJZABNHVQQV-UHFFFAOYSA-N 0 0 305.103 3.044 10 5 DGBERN Cc1ccc(CN(C)[C@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000131497995 196174482 /nfs/dbraw/zinc/17/44/82/196174482.db2.gz GBTNSVCRSFOKOD-GFCCVEGCSA-N 0 0 308.378 3.065 10 5 DGBERN C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000174326111 228289745 /nfs/dbraw/zinc/28/97/45/228289745.db2.gz LXGOAOJDHKRSLH-SNVBAGLBSA-N 0 0 320.295 3.407 10 5 DGBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@@H]2CCCC[C@H]2C1 ZINC000178338342 228339917 /nfs/dbraw/zinc/33/99/17/228339917.db2.gz MWXCDBUYIWILEI-RYUDHWBXSA-N 0 0 313.357 3.338 10 5 DGBERN C[C@H]1[C@@H](c2ccccc2)CCN1c1cc(CO)ccc1[N+](=O)[O-] ZINC000302051868 230065568 /nfs/dbraw/zinc/06/55/68/230065568.db2.gz PCRBSPHUOCYZFS-BBRMVZONSA-N 0 0 312.369 3.470 10 5 DGBERN O=[N+]([O-])c1ccc(NCC[C@@H]2CCCO2)c(OC(F)F)c1 ZINC000302173911 230141016 /nfs/dbraw/zinc/14/10/16/230141016.db2.gz VZVSMRDQUJBQGN-JTQLQIEISA-N 0 0 302.277 3.177 10 5 DGBERN Cc1cc(Nc2c(F)cc([N+](=O)[O-])cc2F)ccc1OCCO ZINC000302199767 230156794 /nfs/dbraw/zinc/15/67/94/230156794.db2.gz USXGYDGPKACTKS-UHFFFAOYSA-N 0 0 324.283 3.296 10 5 DGBERN O=[N+]([O-])c1ccccc1-c1cnn(C[C@H](O)C2CCCCC2)c1 ZINC000191378286 263753966 /nfs/dbraw/zinc/75/39/66/263753966.db2.gz SGXUWJQIEFNNBK-KRWDZBQOSA-N 0 0 315.373 3.400 10 5 DGBERN Cc1cnc(N[C@@H](C)COCc2ccccc2)c([N+](=O)[O-])c1 ZINC000172808563 432237318 /nfs/dbraw/zinc/23/73/18/432237318.db2.gz OAGBTMCUVYAKLE-ZDUSSCGKSA-N 0 0 301.346 3.315 10 5 DGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCS[C@@H](C)C1 ZINC000191342007 432252312 /nfs/dbraw/zinc/25/23/12/432252312.db2.gz KCTFOKIZYXXLAH-NSHDSACASA-N 0 0 309.391 3.181 10 5 DGBERN O=[N+]([O-])c1ccc2nc(NC[C@@H](CO)c3ccccc3)ccc2c1 ZINC000487662421 429164578 /nfs/dbraw/zinc/16/45/78/429164578.db2.gz FRXKCRGHKWGXMA-HNNXBMFYSA-N 0 0 323.352 3.331 10 5 DGBERN COC(=O)[C@@]12CCC[C@H]1CN(c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000302162039 277379041 /nfs/dbraw/zinc/37/90/41/277379041.db2.gz KAYPSPQKTZDTFM-ZUZCIYMTSA-N 0 0 324.764 3.028 10 5 DGBERN COc1cc(N2CCC([C@H]3CCCO3)CC2)c([N+](=O)[O-])cc1F ZINC000276005865 277381368 /nfs/dbraw/zinc/38/13/68/277381368.db2.gz LLAOPFLYNUTNGW-OAHLLOKOSA-N 0 0 324.352 3.138 10 5 DGBERN CC(=O)CC(C)(C)CC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000276585585 277935746 /nfs/dbraw/zinc/93/57/46/277935746.db2.gz YWOTWTJTISIYAA-GFCCVEGCSA-N 0 0 306.362 3.167 10 5 DGBERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000117585658 279137786 /nfs/dbraw/zinc/13/77/86/279137786.db2.gz DNGRLUBHEZCVFQ-DIFFPNOSSA-N 0 0 324.336 3.049 10 5 DGBERN C[C@@H]1CC[C@H](C)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000075288212 431465584 /nfs/dbraw/zinc/46/55/84/431465584.db2.gz RPJGSYGVVGROMC-WDEREUQCSA-N 0 0 301.346 3.337 10 5 DGBERN C[C@H]1CC[C@H](C)N(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000075288326 431466354 /nfs/dbraw/zinc/46/63/54/431466354.db2.gz AXDABTJABSVZTE-STQMWFEESA-N 0 0 306.362 3.011 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)c1nccs1 ZINC000116140823 431489236 /nfs/dbraw/zinc/48/92/36/431489236.db2.gz ITAXZFQFVWUCNO-UHFFFAOYSA-N 0 0 305.359 3.025 10 5 DGBERN C[C@H]1CO[C@@H](c2ccccc2)CN1c1ncc([N+](=O)[O-])s1 ZINC000192477957 279922593 /nfs/dbraw/zinc/92/25/93/279922593.db2.gz IOYAMHYGDDAKLW-CMPLNLGQSA-N 0 0 305.359 3.018 10 5 DGBERN C[C@H]1c2cc(F)cc(F)c2CCN1c1ccc([N+](=O)[O-])nc1 ZINC000450444176 280123780 /nfs/dbraw/zinc/12/37/80/280123780.db2.gz BUEOXXYVIZJACA-VIFPVBQESA-N 0 0 305.284 3.392 10 5 DGBERN O=[N+]([O-])[C@@H]1[C@H](O)c2cc(Cl)ccc2O[C@@H]1c1ccccc1 ZINC000196489239 280353231 /nfs/dbraw/zinc/35/32/31/280353231.db2.gz QPNVLFYMEAMXSZ-RBSFLKMASA-N 0 0 305.717 3.152 10 5 DGBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000014575396 431593197 /nfs/dbraw/zinc/59/31/97/431593197.db2.gz FKXYXPPMELUZGI-SECBINFHSA-N 0 0 306.268 3.364 10 5 DGBERN O=[N+]([O-])c1cnc(N2CC[C@H]3CCC[C@@H]32)c(Br)c1 ZINC000408363304 280380900 /nfs/dbraw/zinc/38/09/00/280380900.db2.gz VYBMJYPSGDNPJX-KCJUWKMLSA-N 0 0 312.167 3.131 10 5 DGBERN CC1(C)CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000077382808 431591110 /nfs/dbraw/zinc/59/11/10/431591110.db2.gz YQZZESNGSWMPJH-UHFFFAOYSA-N 0 0 311.769 3.061 10 5 DGBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cncn2)cc1 ZINC000025372630 431653679 /nfs/dbraw/zinc/65/36/79/431653679.db2.gz WEWOQAHTINVPJQ-GFCCVEGCSA-N 0 0 309.329 3.349 10 5 DGBERN Cc1c(CN2CCC(=O)Nc3ccccc32)cccc1[N+](=O)[O-] ZINC000118846114 431623061 /nfs/dbraw/zinc/62/30/61/431623061.db2.gz CYYLOHYSFPFVMM-UHFFFAOYSA-N 0 0 311.341 3.252 10 5 DGBERN C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000248639569 288257463 /nfs/dbraw/zinc/25/74/63/288257463.db2.gz BFPFEZBGDIXUMS-PXAZEXFGSA-N 0 0 313.357 3.143 10 5 DGBERN COc1cccc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1F ZINC000123743850 431873175 /nfs/dbraw/zinc/87/31/75/431873175.db2.gz OJXKFHSYHMJNPT-SNVBAGLBSA-N 0 0 318.304 3.234 10 5 DGBERN Cc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c(C)n1 ZINC000103377983 280776586 /nfs/dbraw/zinc/77/65/86/280776586.db2.gz ARUSLGXZMNLJOI-NSHDSACASA-N 0 0 311.341 3.198 10 5 DGBERN CCn1cc(C(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000084808414 431833197 /nfs/dbraw/zinc/83/31/97/431833197.db2.gz ATVGTXDCORAMHB-NSHDSACASA-N 0 0 303.318 3.038 10 5 DGBERN COC(=O)c1ccc(Oc2nc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000084733942 431833545 /nfs/dbraw/zinc/83/35/45/431833545.db2.gz ZYPIUZXAUNRMLD-UHFFFAOYSA-N 0 0 308.677 3.222 10 5 DGBERN CCc1ncsc1C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000123994729 431880265 /nfs/dbraw/zinc/88/02/65/431880265.db2.gz YKJXFVXWMOULBJ-LBPRGKRZSA-N 0 0 319.386 3.495 10 5 DGBERN Cc1sc(C(=O)N(C)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000045116078 431881571 /nfs/dbraw/zinc/88/15/71/431881571.db2.gz OMWQCVCPAJQELL-UHFFFAOYSA-N 0 0 308.334 3.376 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000124249324 431887458 /nfs/dbraw/zinc/88/74/58/431887458.db2.gz KBVYJXIOJINPHM-UHFFFAOYSA-N 0 0 320.295 3.454 10 5 DGBERN CN(Cc1ccc(F)cc1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000045623466 431887628 /nfs/dbraw/zinc/88/76/28/431887628.db2.gz YMNIDQZUSVGPMU-UHFFFAOYSA-N 0 0 317.320 3.076 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCCc1ccccc1 ZINC000046639312 431899883 /nfs/dbraw/zinc/89/98/83/431899883.db2.gz LPXKTRWTDILEFK-UHFFFAOYSA-N 0 0 313.357 3.003 10 5 DGBERN Cc1cc2nc3c(cc(N)c4ccccc43)[o+]c2cc1N(C)C ZINC000100069937 431980402 /nfs/dbraw/zinc/98/04/02/431980402.db2.gz OPTPPJUCEOZWOR-UHFFFAOYSA-O 0 0 304.373 3.008 10 5 DGBERN O=[N+]([O-])c1cc(CSc2nnc(-c3ccncc3)o2)cs1 ZINC000097506447 431970372 /nfs/dbraw/zinc/97/03/72/431970372.db2.gz HQPGVJRGMOBJSL-UHFFFAOYSA-N 0 0 320.355 3.394 10 5 DGBERN COc1ccc(C(=O)NC2CCC(C)(C)CC2)cc1[N+](=O)[O-] ZINC000128055096 431986625 /nfs/dbraw/zinc/98/66/25/431986625.db2.gz QQKVWNDZJMNMTL-UHFFFAOYSA-N 0 0 306.362 3.302 10 5 DGBERN Cc1cccc2c1OCC[C@H]2NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000190133377 281290024 /nfs/dbraw/zinc/29/00/24/281290024.db2.gz IRGBTMRUISWIRN-OAHLLOKOSA-N 0 0 312.325 3.157 10 5 DGBERN CC[S@](=O)[C@@H]1CCC[C@@H](Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000301510912 281358369 /nfs/dbraw/zinc/35/83/69/281358369.db2.gz ARESFMUSOBVGRT-ZNLKAECVSA-N 0 0 310.419 3.395 10 5 DGBERN Cc1ccn(-c2ccccc2NC(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000126751265 281426417 /nfs/dbraw/zinc/42/64/17/281426417.db2.gz PIUIQZVTWRCJPN-UHFFFAOYSA-N 0 0 322.324 3.341 10 5 DGBERN COCc1ccsc1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000183364330 432286295 /nfs/dbraw/zinc/28/62/95/432286295.db2.gz FHJKYARMOSEWKL-UHFFFAOYSA-N 0 0 306.343 3.363 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@H](c2ccco2)C1 ZINC000183389007 432288635 /nfs/dbraw/zinc/28/86/35/432288635.db2.gz XLKCMGMYHKNZOM-INIZCTEOSA-N 0 0 302.330 3.070 10 5 DGBERN CCc1ccc(-c2noc(-c3nn(CC)cc3[N+](=O)[O-])n2)cc1 ZINC000191685079 432291379 /nfs/dbraw/zinc/29/13/79/432291379.db2.gz LQRGTRLLBGHUNR-UHFFFAOYSA-N 0 0 313.317 3.091 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C(C)(F)F)c2)n1 ZINC000191719183 432295532 /nfs/dbraw/zinc/29/55/32/432295532.db2.gz IADGUQMHSOBUCV-UHFFFAOYSA-N 0 0 324.287 3.175 10 5 DGBERN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)c(Cl)c2)n1 ZINC000191447895 432264729 /nfs/dbraw/zinc/26/47/29/432264729.db2.gz SYTWHHMEGOMZTL-UHFFFAOYSA-N 0 0 308.725 3.025 10 5 DGBERN Cc1noc(C)c1[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000152299589 432322275 /nfs/dbraw/zinc/32/22/75/432322275.db2.gz BAWWEGLSDIDQSB-ZETCQYMHSA-N 0 0 323.374 3.103 10 5 DGBERN COc1cccc(F)c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000174489289 432352397 /nfs/dbraw/zinc/35/23/97/432352397.db2.gz NUNBYLOJJJMMTM-QMMMGPOBSA-N 0 0 324.333 3.295 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[C@@H]1c1ccccc1 ZINC000174010938 432313998 /nfs/dbraw/zinc/31/39/98/432313998.db2.gz XBNOYQULFZPEBQ-MEDUHNTESA-N 0 0 311.341 3.131 10 5 DGBERN CCO[C@@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])s2)C12CCCC2 ZINC000192462703 432378756 /nfs/dbraw/zinc/37/87/56/432378756.db2.gz GVNIWGDEKDYAPZ-WDEREUQCSA-N 0 0 311.407 3.225 10 5 DGBERN C[C@H]1CO[C@H](c2ccccc2)CN1c1ncc([N+](=O)[O-])s1 ZINC000192477939 432379866 /nfs/dbraw/zinc/37/98/66/432379866.db2.gz IOYAMHYGDDAKLW-JQWIXIFHSA-N 0 0 305.359 3.018 10 5 DGBERN Cc1ccn(-c2ccccc2CNc2ncc([N+](=O)[O-])s2)n1 ZINC000192496592 432382580 /nfs/dbraw/zinc/38/25/80/432382580.db2.gz CYMMCSXXEDAWJQ-UHFFFAOYSA-N 0 0 315.358 3.158 10 5 DGBERN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1C[C@@H]1c1ccccc1 ZINC000192587544 432390935 /nfs/dbraw/zinc/39/09/35/432390935.db2.gz IHHPTVODOQPBJE-ZIAGYGMSSA-N 0 0 300.362 3.335 10 5 DGBERN Cc1ccc(OC[C@H](O)COc2cc(C)ccc2[N+](=O)[O-])cc1 ZINC000153632316 432428048 /nfs/dbraw/zinc/42/80/48/432428048.db2.gz ULTTZWGINUJYDW-AWEZNQCLSA-N 0 0 317.341 3.030 10 5 DGBERN Cc1cc(NC(=O)N[C@H]2COc3ccccc32)ccc1[N+](=O)[O-] ZINC000153644384 432428230 /nfs/dbraw/zinc/42/82/30/432428230.db2.gz HBTKTWFWLVXHFW-ZDUSSCGKSA-N 0 0 313.313 3.158 10 5 DGBERN COc1cccc2c1nc(NCc1ccc([N+](=O)[O-])cc1)n2C ZINC000184789420 432433214 /nfs/dbraw/zinc/43/32/14/432433214.db2.gz ZESYGGLZRRZRHX-UHFFFAOYSA-N 0 0 312.329 3.102 10 5 DGBERN CC[C@@H](NC(=O)Nc1nnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000175185855 432409214 /nfs/dbraw/zinc/40/92/14/432409214.db2.gz CLRSCJARBMSPFS-LLVKDONJSA-N 0 0 321.362 3.028 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])cc1NCC(=O)Nc1ccccc1F ZINC000192896911 432426849 /nfs/dbraw/zinc/42/68/49/432426849.db2.gz QICIRSCVAWVCQU-UHFFFAOYSA-N 0 0 317.320 3.401 10 5 DGBERN CCCCn1nccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000154133419 432474419 /nfs/dbraw/zinc/47/44/19/432474419.db2.gz FGMNCKVUSIPSNH-UHFFFAOYSA-N 0 0 302.334 3.152 10 5 DGBERN CCCn1cc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000154261465 432485641 /nfs/dbraw/zinc/48/56/41/432485641.db2.gz GMPXKIMWSKIUGE-UHFFFAOYSA-N 0 0 314.389 3.366 10 5 DGBERN COc1cccc(N2CCO[C@H](c3cccs3)C2)c1[N+](=O)[O-] ZINC000185566263 432511687 /nfs/dbraw/zinc/51/16/87/432511687.db2.gz OQCKKUFLECHUTN-ZDUSSCGKSA-N 0 0 320.370 3.243 10 5 DGBERN COc1c(C)ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1C ZINC000193264797 432460862 /nfs/dbraw/zinc/46/08/62/432460862.db2.gz DOQDMJDYLYSYPR-UHFFFAOYSA-N 0 0 315.329 3.176 10 5 DGBERN CCCN(C(=O)[C@@H](C)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000194137079 432526450 /nfs/dbraw/zinc/52/64/50/432526450.db2.gz HRDDEAVEANHPNV-ZDUSSCGKSA-N 0 0 320.389 3.401 10 5 DGBERN COCCC(C)(C)CNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000185841803 432538602 /nfs/dbraw/zinc/53/86/02/432538602.db2.gz APTVTUHGLLZHGP-ACCUITESSA-N 0 0 320.389 3.177 10 5 DGBERN CSCCCC(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000176700461 432544313 /nfs/dbraw/zinc/54/43/13/432544313.db2.gz MVUVFCHXIISPLJ-UHFFFAOYSA-N 0 0 305.359 3.225 10 5 DGBERN O=C(Cc1ccccc1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000176711159 432545538 /nfs/dbraw/zinc/54/55/38/432545538.db2.gz ALUGJYWIWXVDIF-UHFFFAOYSA-N 0 0 307.309 3.324 10 5 DGBERN CCO[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cn2)C12CCCC2 ZINC000156885488 432610815 /nfs/dbraw/zinc/61/08/15/432610815.db2.gz JPTDDUVKIFMBGN-KBPBESRZSA-N 0 0 305.378 3.164 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000194805589 432578617 /nfs/dbraw/zinc/57/86/17/432578617.db2.gz XWPPEDWCUCUQRY-BLLLJJGKSA-N 0 0 320.389 3.228 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000194893298 432586477 /nfs/dbraw/zinc/58/64/77/432586477.db2.gz GIOPIBKSFOKUQM-SNVBAGLBSA-N 0 0 316.279 3.318 10 5 DGBERN C[C@@H]1CCCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000186462969 432597617 /nfs/dbraw/zinc/59/76/17/432597617.db2.gz SUHGBRPDYWRTKS-LLVKDONJSA-N 0 0 301.346 3.338 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000195432514 432623437 /nfs/dbraw/zinc/62/34/37/432623437.db2.gz GYOUFVOHBHHIHD-UHFFFAOYSA-N 0 0 323.711 3.021 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(F)F)c1 ZINC000195425156 432623535 /nfs/dbraw/zinc/62/35/35/432623535.db2.gz AYLQNIMAFNDMGH-UHFFFAOYSA-N 0 0 307.256 3.488 10 5 DGBERN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCCO1 ZINC000158869076 432660116 /nfs/dbraw/zinc/66/01/16/432660116.db2.gz ZMCWHPAPNUEREO-UHFFFAOYSA-N 0 0 314.297 3.165 10 5 DGBERN CCS[C@@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000178102387 432694402 /nfs/dbraw/zinc/69/44/02/432694402.db2.gz CZRIXVLTQDLGCO-MWLCHTKSSA-N 0 0 314.432 3.369 10 5 DGBERN CCS[C@@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000178102364 432694693 /nfs/dbraw/zinc/69/46/93/432694693.db2.gz CZRIXVLTQDLGCO-GXSJLCMTSA-N 0 0 314.432 3.369 10 5 DGBERN CCC[C@@H](N[C@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)OCC ZINC000178671985 432765348 /nfs/dbraw/zinc/76/53/48/432765348.db2.gz HUMRTKWAQXPCGI-HUUCEWRRSA-N 0 0 308.378 3.367 10 5 DGBERN CCC[C@H]1C[C@@H]1Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000230215517 432727481 /nfs/dbraw/zinc/72/74/81/432727481.db2.gz CQDYJOUSQDPWPL-CBAPKCEASA-N 0 0 300.156 3.353 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1CC(C)C ZINC000162936186 432839469 /nfs/dbraw/zinc/83/94/69/432839469.db2.gz OTIYQAPNPCJAMI-CYBMUJFWSA-N 0 0 305.378 3.339 10 5 DGBERN C[C@@H]1[C@@H](c2ccccc2)CCN1c1cc(CO)ccc1[N+](=O)[O-] ZINC000302051870 288993866 /nfs/dbraw/zinc/99/38/66/288993866.db2.gz PCRBSPHUOCYZFS-CJNGLKHVSA-N 0 0 312.369 3.470 10 5 DGBERN C[C@@H](Sc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccc(F)cc1 ZINC000301126593 433426627 /nfs/dbraw/zinc/42/66/27/433426627.db2.gz ZMUZOCMMIGDMPC-MRVPVSSYSA-N 0 0 321.333 3.081 10 5 DGBERN O=[N+]([O-])c1ccc(NC[C@@H](O)Cc2ccccc2)c(Cl)c1 ZINC000301185316 433444688 /nfs/dbraw/zinc/44/46/88/433444688.db2.gz JLNMBPIIBNMEHU-ZDUSSCGKSA-N 0 0 306.749 3.264 10 5 DGBERN CCC[C@@H](Nc1cc(C)c([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000159986260 292804958 /nfs/dbraw/zinc/80/49/58/292804958.db2.gz ZFAGKPAREOWCLM-LLVKDONJSA-N 0 0 309.366 3.221 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@@]2(C)CCCC[C@H]2O)c1 ZINC000301503761 433582810 /nfs/dbraw/zinc/58/28/10/433582810.db2.gz YNQJMUZRPOAYOB-UKRRQHHQSA-N 0 0 312.341 3.096 10 5 DGBERN CC[S@](=O)[C@@H]1CCC[C@H](Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000301510911 433587177 /nfs/dbraw/zinc/58/71/77/433587177.db2.gz ARESFMUSOBVGRT-QRQYBIJMSA-N 0 0 310.419 3.395 10 5 DGBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@H]2CSCCS2)c1 ZINC000301552560 433606698 /nfs/dbraw/zinc/60/66/98/433606698.db2.gz HPLNDLPEUDIOKT-VIFPVBQESA-N 0 0 318.395 3.003 10 5 DGBERN CCOC(=O)c1cc(NCc2cccc(C)n2)ccc1[N+](=O)[O-] ZINC000301643038 433653885 /nfs/dbraw/zinc/65/38/85/433653885.db2.gz ZRLHYMWLWPVAEL-UHFFFAOYSA-N 0 0 315.329 3.087 10 5 DGBERN CC(=O)c1ccccc1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000342472914 433711213 /nfs/dbraw/zinc/71/12/13/433711213.db2.gz MWZOBSBAISDHSD-NSHDSACASA-N 0 0 312.325 3.288 10 5 DGBERN Cc1ccnc(NCc2cccc(-c3cnn(C)c3)c2)c1[N+](=O)[O-] ZINC000301854756 433764037 /nfs/dbraw/zinc/76/40/37/433764037.db2.gz CJDHTPJJVSTBNL-UHFFFAOYSA-N 0 0 323.356 3.311 10 5 DGBERN C[C@@H]1C[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475193320 293988251 /nfs/dbraw/zinc/98/82/51/293988251.db2.gz CKNACAHRSJAHTF-SFYZADRCSA-N 0 0 317.267 3.391 10 5 DGBERN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C1CC1 ZINC000509198823 294342711 /nfs/dbraw/zinc/34/27/11/294342711.db2.gz VHVOPLUWOHFCKN-GFCCVEGCSA-N 0 0 305.378 3.313 10 5 DGBERN Cc1cn(Cc2ccc(Br)c(C)c2)nc1[N+](=O)[O-] ZINC000509803354 294365244 /nfs/dbraw/zinc/36/52/44/294365244.db2.gz JLJUVQLAIJJTFX-UHFFFAOYSA-N 0 0 310.151 3.219 10 5 DGBERN O=[N+]([O-])c1ccc(N(Cc2ccccc2)C[C@@H]2CCCO2)cn1 ZINC000450384429 434146112 /nfs/dbraw/zinc/14/61/12/434146112.db2.gz AYJOCDRIRXXNGN-INIZCTEOSA-N 0 0 313.357 3.175 10 5 DGBERN CC(C)Cn1ncc(Nc2ccc([N+](=O)[O-])nc2)c1C1CC1 ZINC000450528566 434245655 /nfs/dbraw/zinc/24/56/55/434245655.db2.gz PRZWUKICQVKYNE-UHFFFAOYSA-N 0 0 301.350 3.463 10 5 DGBERN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000286444043 434268838 /nfs/dbraw/zinc/26/88/38/434268838.db2.gz IZWAWEOHXVHROZ-ZBFHGGJFSA-N 0 0 320.389 3.031 10 5 DGBERN COc1cccc([C@H]2C[C@H](N(C)c3ccc([N+](=O)[O-])nc3)C2)c1 ZINC000450943222 434497984 /nfs/dbraw/zinc/49/79/84/434497984.db2.gz SJYSITUBTBVPGZ-CTYIDZIISA-N 0 0 313.357 3.381 10 5 DGBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000408412664 434570522 /nfs/dbraw/zinc/57/05/22/434570522.db2.gz RLPOSEKEUQNXTH-PHIMTYICSA-N 0 0 308.765 3.285 10 5 DGBERN O=[N+]([O-])c1ccc(NCC[C@@H]2COc3ccccc3O2)c(F)c1 ZINC000360786328 434692008 /nfs/dbraw/zinc/69/20/08/434692008.db2.gz IPZGRJLCXAZEJC-GFCCVEGCSA-N 0 0 318.304 3.376 10 5 DGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC12CCC2 ZINC000463002588 434939427 /nfs/dbraw/zinc/93/94/27/434939427.db2.gz RBGKCIBTCNPRBQ-CQSZACIVSA-N 0 0 302.374 3.319 10 5 DGBERN COC(=O)c1cc(C(F)(F)F)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575380846 435033202 /nfs/dbraw/zinc/03/32/02/435033202.db2.gz RXHIMUMJBBQXBM-UHFFFAOYSA-N 0 0 317.141 3.419 10 5 DGBERN CCOc1cc(OC(F)(F)F)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575656362 435039530 /nfs/dbraw/zinc/03/95/30/435039530.db2.gz FXXGEIAYUKSPBB-UHFFFAOYSA-N 0 0 317.166 3.494 10 5 DGBERN CC(=O)c1cc([N+](=O)[O-])cc(Br)c1OC(F)F ZINC000575682956 435044117 /nfs/dbraw/zinc/04/41/17/435044117.db2.gz HLPFPZUVKRMLTR-UHFFFAOYSA-N 0 0 310.050 3.161 10 5 DGBERN CCOC(=O)c1cc(Cl)c([N+](=O)[O-])cc1Br ZINC000575699521 435046751 /nfs/dbraw/zinc/04/67/51/435046751.db2.gz HAAGIVHOKFZZHO-UHFFFAOYSA-N 0 0 308.515 3.187 10 5 DGBERN CCOc1cc(CC)cc(I)c1[N+](=O)[O-] ZINC000575696105 435046999 /nfs/dbraw/zinc/04/69/99/435046999.db2.gz LDOUTKFAUJQEOA-UHFFFAOYSA-N 0 0 321.114 3.161 10 5 DGBERN CCOC(=O)Cc1cc([N+](=O)[O-])cc(Cl)c1Br ZINC000575700163 435048362 /nfs/dbraw/zinc/04/83/62/435048362.db2.gz PODAKAVHWNNFQM-UHFFFAOYSA-N 0 0 322.542 3.116 10 5 DGBERN COC(=O)c1cc(C)nc(N[C@H]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000557468667 435054808 /nfs/dbraw/zinc/05/48/08/435054808.db2.gz KRHVGPBMGOGQNI-SKDRFNHKSA-N 0 0 307.350 3.075 10 5 DGBERN O=c1[nH]cnc2cc(N[C@H]3CCCC(F)(F)C3)c([N+](=O)[O-])cc12 ZINC000532607909 435179676 /nfs/dbraw/zinc/17/96/76/435179676.db2.gz XCHJUWNNYVUMRS-QMMMGPOBSA-N 0 0 324.287 3.233 10 5 DGBERN CC(=O)c1cccc(CN2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000567571674 435330211 /nfs/dbraw/zinc/33/02/11/435330211.db2.gz IBYOABIZEROAHB-UHFFFAOYSA-N 0 0 310.353 3.356 10 5 DGBERN Cc1cnc(N[C@H]2CCc3cnn(C(C)C)c3C2)c([N+](=O)[O-])c1 ZINC000569899798 435569509 /nfs/dbraw/zinc/56/95/09/435569509.db2.gz HSBUKSHIVIKZPH-ZDUSSCGKSA-N 0 0 315.377 3.045 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCCC23CCOCC3)n1 ZINC000407960732 301206235 /nfs/dbraw/zinc/20/62/35/301206235.db2.gz XBHUHPROIHOOGO-ZDUSSCGKSA-N 0 0 305.378 3.368 10 5 DGBERN Cc1cnc(N2CCCC[C@@H]2c2nccs2)c([N+](=O)[O-])c1 ZINC000266222466 302348687 /nfs/dbraw/zinc/34/86/87/302348687.db2.gz QRPWAWUMXGEHPC-LLVKDONJSA-N 0 0 304.375 3.486 10 5 DGBERN Cc1cnc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)o1 ZINC000448315733 302362693 /nfs/dbraw/zinc/36/26/93/302362693.db2.gz HZBRBVTXSWLJIL-UHFFFAOYSA-N 0 0 315.207 3.162 10 5 DGBERN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](OCC3CC3)C2)n1 ZINC000547961607 314408888 /nfs/dbraw/zinc/40/88/88/314408888.db2.gz XVNUXZCUVVMYLT-AWEZNQCLSA-N 0 0 305.378 3.002 10 5 DGBERN COC(=O)c1cc(C)nc(N(C)[C@H]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000552976080 314628717 /nfs/dbraw/zinc/62/87/17/314628717.db2.gz FXGRZKXZXRRENE-MFKMUULPSA-N 0 0 321.377 3.100 10 5 DGBERN COC(=O)c1cc(C)nc(N[C@@H]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000557468664 314805595 /nfs/dbraw/zinc/80/55/95/314805595.db2.gz KRHVGPBMGOGQNI-BXKDBHETSA-N 0 0 307.350 3.075 10 5 DGBERN O=[N+]([O-])c1ccc(NCCOCC2CCC2)c2ncccc12 ZINC000558650648 314855482 /nfs/dbraw/zinc/85/54/82/314855482.db2.gz HSHXMAZRXDTAOV-UHFFFAOYSA-N 0 0 301.346 3.372 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cn1 ZINC000563829577 315140727 /nfs/dbraw/zinc/14/07/27/315140727.db2.gz ILZBUOCBVAIXFA-CYBMUJFWSA-N 0 0 318.764 3.334 10 5 DGBERN O=[N+]([O-])c1ccc(N[C@@H]2CCCN(c3cccc(F)c3)C2)cn1 ZINC000575902395 316073465 /nfs/dbraw/zinc/07/34/65/316073465.db2.gz SCZUSMSFPDKDES-CQSZACIVSA-N 0 0 316.336 3.210 10 5 DGBERN O=[N+]([O-])c1ccc(Cl)nc1OCCOCc1ccccc1 ZINC000584648491 337380428 /nfs/dbraw/zinc/38/04/28/337380428.db2.gz IHDODTWVAGDJLL-UHFFFAOYSA-N 0 0 308.721 3.239 10 5 DGBERN C[C@@H](C[C@@H](O)c1ccccc1)Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302075558 534199061 /nfs/dbraw/zinc/19/90/61/534199061.db2.gz XUMRPGYFMNMYTB-YVEFUNNKSA-N 0 0 316.357 3.011 10 5 DGBERN O=[N+]([O-])c1c(NCCCc2cccc(F)c2)nc2sccn21 ZINC000301194090 534879224 /nfs/dbraw/zinc/87/92/24/534879224.db2.gz JGKXMAKNUJOSAE-UHFFFAOYSA-N 0 0 320.349 3.488 10 5 DGBERN O=C(NCCc1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000161556353 526425319 /nfs/dbraw/zinc/42/53/19/526425319.db2.gz BOAXGAYENMLUHR-UHFFFAOYSA-N 0 0 309.325 3.049 10 5 DGBERN O=[N+]([O-])c1c(NCCC[C@H]2CCCC[C@H]2O)nc2sccn21 ZINC000154486101 527322323 /nfs/dbraw/zinc/32/23/23/527322323.db2.gz GGJKOGHERSLRAI-GHMZBOCLSA-N 0 0 324.406 3.047 10 5 DGBERN O=[N+]([O-])c1ccc(NCCC[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000154465960 527364279 /nfs/dbraw/zinc/36/42/79/527364279.db2.gz PYTMONSYPLUIDZ-NHYWBVRUSA-N 0 0 323.349 3.246 10 5 DGBERN CC(C)OC1CCC(Nc2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302027251 527885326 /nfs/dbraw/zinc/88/53/26/527885326.db2.gz IOXLIOBBTZANQP-UHFFFAOYSA-N 0 0 308.378 3.235 10 5 DGBERN CC(C)[C@@H](O)CCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000301658599 528624283 /nfs/dbraw/zinc/62/42/83/528624283.db2.gz IPEVEGQGUXPXQY-LBPRGKRZSA-N 0 0 317.183 3.176 10 5 DGBERN CN(Cc1csc([N+](=O)[O-])c1)Cc1ccc([S@](C)=O)cc1 ZINC000178428809 546128905 /nfs/dbraw/zinc/12/89/05/546128905.db2.gz LEFFLOMMLPFRHB-NRFANRHFSA-N 0 0 324.427 3.026 10 5 DGBERN O=C(Nc1ccc2c(c1)oc(=O)c1ccccc12)C(F)(F)F ZINC000001694995 560183998 /nfs/dbraw/zinc/18/39/98/560183998.db2.gz PJDQXNCTFJWTFY-UHFFFAOYSA-N 0 0 307.227 3.447 10 5 in-vitro DGBERN CCOc1ccc(C(=O)NC[C@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000734338581 574656617 /nfs/dbraw/zinc/65/66/17/574656617.db2.gz HOTIFCFJPOTBRQ-NSHDSACASA-N 0 0 308.378 3.406 10 5 DGBERN CC(=O)N(C)c1ccccc1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000742260342 574988516 /nfs/dbraw/zinc/98/85/16/574988516.db2.gz KXJIVBQWLKIGRY-UHFFFAOYSA-N 0 0 317.320 3.329 10 5 DGBERN Cc1ccc([N+](=O)[O-])cc1OC[C@@H](O)c1cc(F)ccc1F ZINC000154069688 620637835 /nfs/dbraw/zinc/63/78/35/620637835.db2.gz AXFCEJPOGZNKFB-CQSZACIVSA-N 0 0 309.268 3.294 10 5 DGBERN O=[N+]([O-])c1ccc(OC[C@H](O)c2ccccc2Cl)cc1F ZINC000154189074 620646543 /nfs/dbraw/zinc/64/65/43/620646543.db2.gz JBZGBUOIMDTQDE-AWEZNQCLSA-N 0 0 311.696 3.500 10 5 DGBERN COc1ccc(C[C@H](C)OC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000154930985 620741944 /nfs/dbraw/zinc/74/19/44/620741944.db2.gz NHMTWUPBFBHAQL-LBPRGKRZSA-N 0 0 315.325 3.391 10 5 DGBERN CC[C@H](OC1CCCC1)C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000151187444 620428788 /nfs/dbraw/zinc/42/87/88/620428788.db2.gz VODPCNFCAILTTL-INIZCTEOSA-N 0 0 321.373 3.418 10 5 DGBERN O=C(COC1CCCCC1)OCCc1ccccc1[N+](=O)[O-] ZINC000151260645 620434528 /nfs/dbraw/zinc/43/45/28/620434528.db2.gz BCEMFGWRAOGDNR-UHFFFAOYSA-N 0 0 307.346 3.030 10 5 DGBERN Cc1cc([N+](=O)[O-])ccc1OC[C@H](O)c1cc(F)ccc1F ZINC000154011330 620631518 /nfs/dbraw/zinc/63/15/18/620631518.db2.gz XPSFNWIRJFYQPG-AWEZNQCLSA-N 0 0 309.268 3.294 10 5 DGBERN C[C@@H](OC(=O)[C@@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000113656556 620934750 /nfs/dbraw/zinc/93/47/50/620934750.db2.gz NTLIKZFCZBDYLU-IAQYHMDHSA-N 0 0 313.309 3.375 10 5 DGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)Oc1ccc(Cl)c(F)c1 ZINC000133923302 626846812 /nfs/dbraw/zinc/84/68/12/626846812.db2.gz QANHFTNCNHAFCM-UHFFFAOYSA-N 0 0 310.668 3.310 10 5 DGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(F)(F)F ZINC000135900167 627011861 /nfs/dbraw/zinc/01/18/61/627011861.db2.gz VHRMSAAAOKETRC-UHFFFAOYSA-N 0 0 309.265 3.426 10 5 DGBERN CC1(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC(F)(F)C1 ZINC000720960781 658270537 /nfs/dbraw/zinc/27/05/37/658270537.db2.gz DSQCGERHNRUIHX-UHFFFAOYSA-N 0 0 304.680 3.166 10 5 DGBERN COC1CC(COc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000704218512 660806106 /nfs/dbraw/zinc/80/61/06/660806106.db2.gz JVSGCIYGIMMKBB-UHFFFAOYSA-N 0 0 316.151 3.161 10 5 DGBERN O=[N+]([O-])c1ccc(OS(=O)(=O)/C=C\c2ccc(F)cc2)cc1 ZINC000255112516 655600585 /nfs/dbraw/zinc/60/05/85/655600585.db2.gz XULRCYCJZYXJMK-KTKRTIGZSA-N 0 0 323.301 3.113 10 5 DGBERN Cc1cc(F)cc(C(=O)NC/C=C\c2ccccc2)c1[N+](=O)[O-] ZINC000255388377 655726069 /nfs/dbraw/zinc/72/60/69/655726069.db2.gz IIACWYWPUKWMKR-YVMONPNESA-N 0 0 314.316 3.486 10 5 DGBERN C/C(=C\c1ccc(F)cc1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000176076250 655731853 /nfs/dbraw/zinc/73/18/53/655731853.db2.gz FGIIVPHICPWMKJ-ZRDIBKRKSA-N 0 0 314.316 3.454 10 5 DGBERN COCc1cccc(OC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000176752544 655796834 /nfs/dbraw/zinc/79/68/34/655796834.db2.gz REUOFSCJTNVNCB-UHFFFAOYSA-N 0 0 315.325 3.279 10 5 DGBERN Cc1cc(F)cc(C(=O)N(C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000176890172 655861846 /nfs/dbraw/zinc/86/18/46/655861846.db2.gz RYSRCZGGWLUJGK-UHFFFAOYSA-N 0 0 320.295 3.454 10 5 DGBERN Cc1cc(F)cc(C(=O)NCCc2ccsc2)c1[N+](=O)[O-] ZINC000176942741 655879507 /nfs/dbraw/zinc/87/95/07/655879507.db2.gz VBZCQJCPNQDFCX-UHFFFAOYSA-N 0 0 308.334 3.076 10 5 DGBERN Cc1nnc(COc2cc([N+](=O)[O-])ccc2Cl)n1C1CC1 ZINC000177336041 655921748 /nfs/dbraw/zinc/92/17/48/655921748.db2.gz UAIACIFFQNLMCI-UHFFFAOYSA-N 0 0 308.725 3.062 10 5 DGBERN CC[C@@H](NC(=O)/C=C/c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000177790022 655946678 /nfs/dbraw/zinc/94/66/78/655946678.db2.gz SNCLLPFHZREDJQ-XVJNWHFHSA-N 0 0 300.314 3.469 10 5 DGBERN C[C@@H](COc1ccccc1)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000066522088 655953267 /nfs/dbraw/zinc/95/32/67/655953267.db2.gz WFRDSRWZLBKTGO-LBPRGKRZSA-N 0 0 301.298 3.219 10 5 DGBERN C[C@@H](COc1ccccc1)OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000066522090 655953270 /nfs/dbraw/zinc/95/32/70/655953270.db2.gz JITDHHGVMMJUBC-LBPRGKRZSA-N 0 0 301.298 3.219 10 5 DGBERN CC[C@@H](CSC)Nc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000180938216 655970774 /nfs/dbraw/zinc/97/07/74/655970774.db2.gz LSXGDJRPDQRZAY-VFFGBVLKSA-N 0 0 324.402 3.335 10 5 DGBERN C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000047175976 656211730 /nfs/dbraw/zinc/21/17/30/656211730.db2.gz YXQVKLLGSZPEJF-SNVBAGLBSA-N 0 0 316.269 3.421 10 5 DGBERN C[C@H](OC(=O)c1cccc2c[nH]nc21)c1ccc([N+](=O)[O-])cc1 ZINC000066878645 656300561 /nfs/dbraw/zinc/30/05/61/656300561.db2.gz QOCVGWNCXFFTEH-JTQLQIEISA-N 0 0 311.297 3.389 10 5 DGBERN C[C@H](OC(=O)c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000066879516 656300989 /nfs/dbraw/zinc/30/09/89/656300989.db2.gz ZEHMVSMNTXYDEZ-JTQLQIEISA-N 0 0 316.269 3.421 10 5 DGBERN CCCc1cc(C(=O)O[C@@H](C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000066879569 656301022 /nfs/dbraw/zinc/30/10/22/656301022.db2.gz MZULNCSANIDTDX-JTQLQIEISA-N 0 0 303.318 3.188 10 5 DGBERN COC(=O)c1cc(NCc2csc([N+](=O)[O-])c2)ccc1F ZINC000037562923 661265739 /nfs/dbraw/zinc/26/57/39/661265739.db2.gz SYBZFCDQHXXLFQ-UHFFFAOYSA-N 0 0 310.306 3.194 10 5 DGBERN Cc1sc(C(=O)OCc2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000031009734 658751135 /nfs/dbraw/zinc/75/11/35/658751135.db2.gz WOTMBILRVFPRJB-UHFFFAOYSA-N 0 0 312.734 3.370 10 5 DGBERN CO[C@@H](C)CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000174809377 658842074 /nfs/dbraw/zinc/84/20/74/658842074.db2.gz UUUKRLRIZSREGP-VIFPVBQESA-N 0 0 309.343 3.391 10 5 DGBERN COc1cc([N+](=O)[O-])c(C(=O)OCc2ccoc2)cc1SC ZINC000171405140 659279228 /nfs/dbraw/zinc/27/92/28/659279228.db2.gz FZRRKKSJGXROQX-UHFFFAOYSA-N 0 0 323.326 3.275 10 5 DGBERN CCc1ccc(OC(=O)COCc2ccccc2)c([N+](=O)[O-])c1 ZINC000172192101 659322103 /nfs/dbraw/zinc/32/21/03/659322103.db2.gz PFMHBNYCAIXGOZ-UHFFFAOYSA-N 0 0 315.325 3.279 10 5 DGBERN O=C(CCC1CCOCC1)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174119848 659413237 /nfs/dbraw/zinc/41/32/37/659413237.db2.gz ARFRCXPDZLAKKT-UHFFFAOYSA-N 0 0 313.737 3.360 10 5 DGBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CCS1 ZINC000174728030 659542422 /nfs/dbraw/zinc/54/24/22/659542422.db2.gz QKIVBQYWKVJYFJ-MRVPVSSYSA-N 0 0 317.208 3.299 10 5 DGBERN O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000069286733 659985508 /nfs/dbraw/zinc/98/55/08/659985508.db2.gz IRNCIPPCMOATGU-GXTWGEPZSA-N 0 0 300.289 3.020 10 5 DGBERN O=[N+]([O-])c1ccc(SC[C@@H](O)c2cc(F)ccc2F)nc1 ZINC000159191735 661883736 /nfs/dbraw/zinc/88/37/36/661883736.db2.gz ACYPSCVHYYLPAS-GFCCVEGCSA-N 0 0 312.297 3.094 10 5 DGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccoc1 ZINC000194251670 662161913 /nfs/dbraw/zinc/16/19/13/662161913.db2.gz FZKLLKBDPGKIGB-JTQLQIEISA-N 0 0 307.327 3.412 10 5 DGBERN C[C@@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000194569932 662168900 /nfs/dbraw/zinc/16/89/00/662168900.db2.gz AYKRICIJUDKOCZ-SNVBAGLBSA-N 0 0 307.327 3.340 10 5 DGBERN Cc1cc(OC(=O)c2cc([N+](=O)[O-])cnc2C)ccc1Cl ZINC000195524163 662191430 /nfs/dbraw/zinc/19/14/30/662191430.db2.gz DEPUQDZAYLJDGC-UHFFFAOYSA-N 0 0 306.705 3.479 10 5 DGBERN CO[C@@H]1CCC[C@H](OC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087023303 662222440 /nfs/dbraw/zinc/22/24/40/662222440.db2.gz YXHAADAYDMPXOZ-CABCVRRESA-N 0 0 307.346 3.028 10 5 DGBERN C[C@@H]1CC[C@H](C)CN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000088713345 662233980 /nfs/dbraw/zinc/23/39/80/662233980.db2.gz LTPJYNIJZXVXTJ-DTWKUNHWSA-N 0 0 311.769 3.091 10 5 DGBERN Cc1ccc(OC(=O)CSCC(F)(F)F)cc1[N+](=O)[O-] ZINC000089237075 662238958 /nfs/dbraw/zinc/23/89/58/662238958.db2.gz VIAJBGPSOTVXJF-UHFFFAOYSA-N 0 0 309.265 3.104 10 5 DGBERN Cc1n[nH]c2cc(NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)ccc12 ZINC000091834380 662320838 /nfs/dbraw/zinc/32/08/38/662320838.db2.gz YQEXVEHZWTVXCY-RUDMXATFSA-N 0 0 322.324 3.431 10 5 DGBERN CC(C)c1nc(CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)no1 ZINC000086199380 685062990 /nfs/dbraw/zinc/06/29/90/685062990.db2.gz AXTDWSMVFOTRTD-SNVBAGLBSA-N 0 0 302.334 3.052 10 5 DGBERN C[C@@H]1CCC[C@@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000050701861 1194612079 /nfs/dbraw/zinc/61/20/79/1194612079.db2.gz OTAPYTMDQVWBNX-PSASIEDQSA-N 0 0 311.769 3.139 10 5 DGBERN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(O)cc1Cl ZINC000070334174 1195863148 /nfs/dbraw/zinc/86/31/48/1195863148.db2.gz WHHUSJJNJLZCIE-UHFFFAOYSA-N 0 0 306.705 3.135 10 5 DGBERN C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])c1cnccn1 ZINC000070479029 1195874306 /nfs/dbraw/zinc/87/43/06/1195874306.db2.gz HEOUIONBBIIYQY-MRVPVSSYSA-N 0 0 323.150 3.320 10 5 DGBERN O=C(c1cccc([N+](=O)[O-])c1Cl)N1Cc2ccccc2C1 ZINC000160422441 1202624519 /nfs/dbraw/zinc/62/45/19/1202624519.db2.gz RBJUPLORUUZQLT-UHFFFAOYSA-N 0 0 302.717 3.404 10 5 DGBERN