smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1cc([C@@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)CCO2)cn1 ZINC000191730370 178067419 /nfs/dbraw/zinc/06/74/19/178067419.db2.gz ZFGRFRCQVYOGER-INIZCTEOSA-N 0 0 360.370 1.790 10 5 FDBERN CCc1noc([C@H](C)N2CCN(c3c([N+](=O)[O-])c(C)nn3CC)CC2)n1 ZINC000192570111 178121224 /nfs/dbraw/zinc/12/12/24/178121224.db2.gz GNCVFRINFMODDH-LBPRGKRZSA-N 0 0 363.422 1.948 10 5 FDBERN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H]1COc2ccccc21 ZINC000194863691 178228236 /nfs/dbraw/zinc/22/82/36/178228236.db2.gz KSHIYEPFPSJVFS-GFCCVEGCSA-N 0 0 355.306 1.753 10 5 FDBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000195286842 178252810 /nfs/dbraw/zinc/25/28/10/178252810.db2.gz GXLNFEFFUDWEQA-LBPRGKRZSA-N 0 0 361.406 1.336 10 5 FDBERN CC(C)c1nnc2n1C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])CC2 ZINC000195292891 178254044 /nfs/dbraw/zinc/25/40/44/178254044.db2.gz OWVMABHPPODOFF-GFCCVEGCSA-N 0 0 358.402 1.853 10 5 FDBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000184690786 177642128 /nfs/dbraw/zinc/64/21/28/177642128.db2.gz UVLQGRVNYYGGRO-OAHLLOKOSA-N 0 0 363.395 1.973 10 5 FDBERN O=C1[C@H](N2CCC(n3cncn3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067378850 172009462 /nfs/dbraw/zinc/00/94/62/172009462.db2.gz ANXUDJXMCFCOGI-MRXNPFEDSA-N 0 0 356.386 1.629 10 5 FDBERN Cc1cnn(CCNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 ZINC000117816673 172704587 /nfs/dbraw/zinc/70/45/87/172704587.db2.gz VGSDAWIJQAXBBN-UHFFFAOYSA-N 0 0 373.369 1.604 10 5 FDBERN CC(C)(C)c1cc(C(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000130175715 173162397 /nfs/dbraw/zinc/16/23/97/173162397.db2.gz GEKJNEXGBKRVLM-ZFWWWQNUSA-N 0 0 362.386 1.440 10 5 FDBERN CCc1nc(CC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000130250405 173163973 /nfs/dbraw/zinc/16/39/73/173163973.db2.gz PWWKCCAUHYKCRS-CZUORRHYSA-N 0 0 365.411 1.367 10 5 FDBERN CCc1nnc([C@H]2CN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CCO2)[nH]1 ZINC000131569524 173207736 /nfs/dbraw/zinc/20/77/36/173207736.db2.gz XSYWPPOSDSPGQG-CQSZACIVSA-N 0 0 372.385 1.738 10 5 FDBERN C[C@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@H]1N1CCOCC1 ZINC000175709763 174021241 /nfs/dbraw/zinc/02/12/41/174021241.db2.gz HJMOPHPZFBEYMB-WMLDXEAASA-N 0 0 362.430 1.499 10 5 FDBERN Cc1c([N+](=O)[O-])cc(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000175960864 174040335 /nfs/dbraw/zinc/04/03/35/174040335.db2.gz DTLMAQQWIFLUHN-WDEREUQCSA-N 0 0 366.374 1.339 10 5 FDBERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000177005154 174100364 /nfs/dbraw/zinc/10/03/64/174100364.db2.gz RKTQOHHXSDKBMY-GFCCVEGCSA-N 0 0 351.388 1.617 10 5 FDBERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000177636604 174146309 /nfs/dbraw/zinc/14/63/09/174146309.db2.gz YXUGZQPMKHGRTE-NSHDSACASA-N 0 0 372.385 1.127 10 5 FDBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000180972080 174199402 /nfs/dbraw/zinc/19/94/02/174199402.db2.gz ZHVFYTAKOMNKIK-LBPRGKRZSA-N 0 0 351.388 1.287 10 5 FDBERN Cc1nc(CC(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000180454939 258368915 /nfs/dbraw/zinc/36/89/15/258368915.db2.gz ZVSQZJJPYYAFBV-GOEBONIOSA-N 0 0 365.411 1.421 10 5 FDBERN O=C(Cc1ccc2c(c1)CCC2)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000180467759 258369010 /nfs/dbraw/zinc/36/90/10/258369010.db2.gz IYYDHNLPJOMVHY-QUCCMNQESA-N 0 0 370.405 1.837 10 5 FDBERN CCc1nnc([C@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CCO2)[nH]1 ZINC000173610673 258305026 /nfs/dbraw/zinc/30/50/26/258305026.db2.gz JUWPKAXLUJYGAL-GFCCVEGCSA-N 0 0 371.357 1.365 10 5 FDBERN CCc1nnc([C@@H]2CN(C(=O)c3cc(C)cc([N+](=O)[O-])c3N)CCO2)[nH]1 ZINC000173756924 258309676 /nfs/dbraw/zinc/30/96/76/258309676.db2.gz KVUQKIDVEGJMJK-LBPRGKRZSA-N 0 0 360.374 1.380 10 5 FDBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174001286 258316569 /nfs/dbraw/zinc/31/65/69/258316569.db2.gz UBGVVISPWGQIQY-HNNXBMFYSA-N 0 0 369.443 1.252 10 5 FDBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000174184880 258320465 /nfs/dbraw/zinc/32/04/65/258320465.db2.gz CNGMIFAJTSXHNY-AWEZNQCLSA-N 0 0 360.374 1.742 10 5 FDBERN CN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CCCN(c2cccnn2)C1 ZINC000176781228 258325445 /nfs/dbraw/zinc/32/54/45/258325445.db2.gz IOHHFMBMFMIKHR-LBPRGKRZSA-N 0 0 356.386 1.708 10 5 FDBERN CCC(=O)N1CCN(c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])CC1 ZINC000301153767 259021972 /nfs/dbraw/zinc/02/19/72/259021972.db2.gz FDJUTEUYEUROCZ-UHFFFAOYSA-N 0 0 352.347 1.362 10 5 FDBERN CCO[C@@H]1C[C@H](N(C)c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1(C)C ZINC000301353720 259026143 /nfs/dbraw/zinc/02/61/43/259026143.db2.gz MFUIXHSMVFQKDG-UONOGXRCSA-N 0 0 357.432 1.882 10 5 FDBERN CC(C)CS(=O)(=O)N1CCC(Nc2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302037734 259038261 /nfs/dbraw/zinc/03/82/61/259038261.db2.gz MOUXROHSIHBNIT-UHFFFAOYSA-N 0 0 371.459 1.949 10 5 FDBERN O=C(c1cnccn1)N1CCC(Nc2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302075925 259038798 /nfs/dbraw/zinc/03/87/98/259038798.db2.gz XYOPHCSTSZNHQG-UHFFFAOYSA-N 0 0 357.370 1.594 10 5 FDBERN Cc1cn2c(n1)CC[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C2 ZINC000302623078 259044008 /nfs/dbraw/zinc/04/40/08/259044008.db2.gz HLLPLGVQQUYFNQ-NSHDSACASA-N 0 0 350.400 1.930 10 5 FDBERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000058388118 522253246 /nfs/dbraw/zinc/25/32/46/522253246.db2.gz RPNPSLOJTRHGCQ-AWEZNQCLSA-N 0 0 355.416 1.415 10 5 FDBERN O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H](N2CCOCC2)C1 ZINC000062984537 522551003 /nfs/dbraw/zinc/55/10/03/522551003.db2.gz NFSHCVAIFLYYAS-LLVKDONJSA-N 0 0 357.208 1.663 10 5 FDBERN O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)Nc2ncc(Br)cn2)cc1 ZINC000067348594 523397970 /nfs/dbraw/zinc/39/79/70/523397970.db2.gz NEOFBOYVZPRDNJ-NEPJUHHUSA-N 0 0 369.175 1.654 10 5 FDBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111077619 524195155 /nfs/dbraw/zinc/19/51/55/524195155.db2.gz JKGJEJUHWGITMK-CYBMUJFWSA-N 0 0 355.354 1.814 10 5 FDBERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000157063056 524202517 /nfs/dbraw/zinc/20/25/17/524202517.db2.gz ZBUNWQPSRKMLBK-SNVBAGLBSA-N 0 0 369.378 1.701 10 5 FDBERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000157093310 524208161 /nfs/dbraw/zinc/20/81/61/524208161.db2.gz FTBMPPMPTRYGSP-LBPRGKRZSA-N 0 0 365.415 1.871 10 5 FDBERN O=C(N[C@H]1CCc2ncnn2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000121788482 524365065 /nfs/dbraw/zinc/36/50/65/524365065.db2.gz CLODTRFJDBRORT-ZDUSSCGKSA-N 0 0 356.386 1.875 10 5 FDBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000173730142 524446079 /nfs/dbraw/zinc/44/60/79/524446079.db2.gz CCGJVFHTLNUMKN-CYBMUJFWSA-N 0 0 350.400 1.953 10 5 FDBERN Cc1ccc(N2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000112511019 524497869 /nfs/dbraw/zinc/49/78/69/524497869.db2.gz HYVDQFRZGGBXHY-UHFFFAOYSA-N 0 0 355.398 1.975 10 5 FDBERN C[C@@H](O)CN1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@H]1C ZINC000174353146 524547042 /nfs/dbraw/zinc/54/70/42/524547042.db2.gz FDDPSUGWOAIYET-ZIAGYGMSSA-N 0 0 373.413 1.308 10 5 FDBERN CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])CC2 ZINC000159357377 524652352 /nfs/dbraw/zinc/65/23/52/524652352.db2.gz SLOSAEXANKPPOO-NSHDSACASA-N 0 0 365.415 1.603 10 5 FDBERN COC(=O)[C@@H]1CCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000123909210 524859039 /nfs/dbraw/zinc/85/90/39/524859039.db2.gz VLBKNGABJIZNLT-HNNXBMFYSA-N 0 0 358.354 1.948 10 5 FDBERN CCc1nc2n(n1)C[C@@H](NC(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)CC2 ZINC000114867274 524897567 /nfs/dbraw/zinc/89/75/67/524897567.db2.gz FAFQZQRMXWORIQ-VIFPVBQESA-N 0 0 355.358 1.370 10 5 FDBERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CC2 ZINC000114870037 524901426 /nfs/dbraw/zinc/90/14/26/524901426.db2.gz GXYGOGYUAAEABM-JTQLQIEISA-N 0 0 360.330 1.402 10 5 FDBERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000115388911 524984123 /nfs/dbraw/zinc/98/41/23/524984123.db2.gz COKGSBMILBTIBT-UHFFFAOYSA-N 0 0 372.429 1.485 10 5 FDBERN CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000095083363 525025536 /nfs/dbraw/zinc/02/55/36/525025536.db2.gz UWHJLCANHJRLOR-SNVBAGLBSA-N 0 0 357.388 1.773 10 5 FDBERN Cn1cc([C@H]2CCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C2)cn1 ZINC000116116439 525102913 /nfs/dbraw/zinc/10/29/13/525102913.db2.gz IESIAFHMVCKWSU-LBPRGKRZSA-N 0 0 367.369 1.539 10 5 FDBERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000177002291 525218204 /nfs/dbraw/zinc/21/82/04/525218204.db2.gz FDXIRQLPGHCILO-GFCCVEGCSA-N 0 0 365.415 1.925 10 5 FDBERN COCCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@H]1C ZINC000117286236 525303736 /nfs/dbraw/zinc/30/37/36/525303736.db2.gz WCTBJTSBKASYBS-CYBMUJFWSA-N 0 0 350.419 1.454 10 5 FDBERN CC[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1CCOC ZINC000117372014 525330588 /nfs/dbraw/zinc/33/05/88/525330588.db2.gz VDXLKGDYHMOJSV-OAHLLOKOSA-N 0 0 371.459 1.467 10 5 FDBERN Nc1c(C(=O)N[C@H]2CCCN(c3cccnn3)C2)cc(F)cc1[N+](=O)[O-] ZINC000118669997 525519414 /nfs/dbraw/zinc/51/94/14/525519414.db2.gz OMZYECJFGXRRKC-NSHDSACASA-N 0 0 360.349 1.505 10 5 FDBERN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCN(c2cccnn2)CC1 ZINC000106071558 525561970 /nfs/dbraw/zinc/56/19/70/525561970.db2.gz XJVMKLDGJCSKOT-AWEZNQCLSA-N 0 0 370.413 1.924 10 5 FDBERN Cc1ccc(N2CCCN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000106074800 525564759 /nfs/dbraw/zinc/56/47/59/525564759.db2.gz QKCXNAMDXVEONB-UHFFFAOYSA-N 0 0 370.413 1.844 10 5 FDBERN O=C(CN1CCO[C@@H](Cn2cccn2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000106191512 525661172 /nfs/dbraw/zinc/66/11/72/525661172.db2.gz HMNDZXYLBNACEX-MRXNPFEDSA-N 0 0 371.397 1.081 10 5 FDBERN Cc1cnn(C[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CCO2)c1 ZINC000106197977 525667510 /nfs/dbraw/zinc/66/75/10/525667510.db2.gz YVYXUWLEKWWBIX-INIZCTEOSA-N 0 0 373.413 1.748 10 5 FDBERN CC[C@@H](O)CN1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000106394589 525711401 /nfs/dbraw/zinc/71/14/01/525711401.db2.gz XRQJYJXAMYLXCO-CQSZACIVSA-N 0 0 350.419 1.312 10 5 FDBERN CC[C@H](O)CN1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000106394414 525712029 /nfs/dbraw/zinc/71/20/29/525712029.db2.gz WKXGJBXNLVONFT-KRWDZBQOSA-N 0 0 364.446 1.702 10 5 FDBERN Cc1ccc(NC(=O)C(=O)N2CCC(c3ccnn3C)CC2)cc1[N+](=O)[O-] ZINC000119415014 525737944 /nfs/dbraw/zinc/73/79/44/525737944.db2.gz DBZZTZDLPGUJCP-UHFFFAOYSA-N 0 0 371.397 1.981 10 5 FDBERN CNC(=O)c1ccc(N(C)[C@H]2CCCN(c3cccnn3)C2)c([N+](=O)[O-])c1 ZINC000108946503 526047266 /nfs/dbraw/zinc/04/72/66/526047266.db2.gz OMVGBLVAXQWWLG-AWEZNQCLSA-N 0 0 370.413 1.850 10 5 FDBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(Nc2cccnn2)CC1 ZINC000109636432 526144331 /nfs/dbraw/zinc/14/43/31/526144331.db2.gz IKTSSWVNZGSVSC-UHFFFAOYSA-N 0 0 357.370 1.867 10 5 FDBERN CC(=O)N[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000134325535 526148830 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CNC(=O)[C@@H]1CCCC[C@@H]1Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301900554 259035677 /nfs/dbraw/zinc/03/56/77/259035677.db2.gz UVZPGBAOWZETHO-MNOVXSKESA-N 0 0 355.416 1.715 10 5 FDBERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)CC2 ZINC000172021684 524096375 /nfs/dbraw/zinc/09/63/75/524096375.db2.gz XLQQZMJHMIIMDC-LLVKDONJSA-N 0 0 365.415 1.350 10 5 FDBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000121463675 524266973 /nfs/dbraw/zinc/26/69/73/524266973.db2.gz JLSACUUQMZOTFU-CYBMUJFWSA-N 0 0 371.397 1.900 10 5 FDBERN C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCS1(=O)=O ZINC000121953885 524417405 /nfs/dbraw/zinc/41/74/05/524417405.db2.gz OIJCSQHYXXRHKN-GFCCVEGCSA-N 0 0 355.416 1.432 10 5 FDBERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc([N+](=O)[O-])cc1Br ZINC000122292273 524500590 /nfs/dbraw/zinc/50/05/90/524500590.db2.gz OIASVWVFWTZMAB-MRVPVSSYSA-N 0 0 366.175 1.694 10 5 FDBERN CC(C)[C@@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000112564952 524509950 /nfs/dbraw/zinc/50/99/50/524509950.db2.gz NWVVCPVLAWTALA-IUODEOHRSA-N 0 0 369.443 1.909 10 5 FDBERN C[C@@H](O)CN1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000174288854 524536959 /nfs/dbraw/zinc/53/69/59/524536959.db2.gz FCMHNGAJODYAMB-ZIAGYGMSSA-N 0 0 373.413 1.308 10 5 FDBERN CC[C@@H](NC(=O)NC[C@H]1CCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000160256046 524843488 /nfs/dbraw/zinc/84/34/88/524843488.db2.gz KJVGDCAQXMMHOJ-ZIAGYGMSSA-N 0 0 355.416 1.922 10 5 FDBERN CCC(=O)N1CCCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000123965535 524870304 /nfs/dbraw/zinc/87/03/04/524870304.db2.gz NOQPMNHSMZLGDG-UHFFFAOYSA-N 0 0 355.416 1.447 10 5 FDBERN Cn1cc([C@H]2CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC000116313984 525131357 /nfs/dbraw/zinc/13/13/57/525131357.db2.gz JXIMMRXPGMOOLU-AWEZNQCLSA-N 0 0 355.398 1.707 10 5 FDBERN C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1N1CCOCC1 ZINC000176997637 525216322 /nfs/dbraw/zinc/21/63/22/525216322.db2.gz WDVNWYLSPCMOEU-FZMZJTMJSA-N 0 0 373.406 1.075 10 5 FDBERN C[C@H]1CC[C@H](N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)C1 ZINC000116807622 525225073 /nfs/dbraw/zinc/22/50/73/525225073.db2.gz UBVNPUJYCLIVFC-JSGCOSHPSA-N 0 0 367.427 1.616 10 5 FDBERN COCCN1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000117292754 525306016 /nfs/dbraw/zinc/30/60/16/525306016.db2.gz SGBRPFQLNCTHAC-AWEZNQCLSA-N 0 0 373.413 1.573 10 5 FDBERN CC[C@@H](NC(=O)CCSc1nnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000177793497 525347185 /nfs/dbraw/zinc/34/71/85/525347185.db2.gz CCQYVOJLMDBMAO-GFCCVEGCSA-N 0 0 350.404 1.868 10 5 FDBERN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000106092672 525574660 /nfs/dbraw/zinc/57/46/60/525574660.db2.gz ZDMUWAWABVAHLK-ZDUSSCGKSA-N 0 0 353.386 1.916 10 5 FDBERN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000171397176 525976909 /nfs/dbraw/zinc/97/69/09/525976909.db2.gz XRILFOBLRMNHAJ-CQSZACIVSA-N 0 0 357.370 1.939 10 5 FDBERN C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1nnc2n1CCCC2 ZINC000156103777 526058095 /nfs/dbraw/zinc/05/80/95/526058095.db2.gz CHMZTSXVHDSKGW-NSHDSACASA-N 0 0 365.415 1.703 10 5 FDBERN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCO[C@H](c2nccs2)C1 ZINC000182229597 526103528 /nfs/dbraw/zinc/10/35/28/526103528.db2.gz QRHHUIQXEZEFIF-DOMZBBRYSA-N 0 0 365.411 1.865 10 5 FDBERN CC(C)(C)OC(=O)[C@H]1C[NH2+]CCN1c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000095935485 534947790 /nfs/dbraw/zinc/94/77/90/534947790.db2.gz JWOGAFLLVAZSCJ-CYBMUJFWSA-N 0 0 351.359 1.413 10 5 FDBERN Cc1cc(C(=O)NCC(=O)N2CCO[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000183145238 535927736 /nfs/dbraw/zinc/92/77/36/535927736.db2.gz VELHXRULKQXPKH-HZPDHXFCSA-N 0 0 361.398 1.803 10 5 FDBERN O=C(Nc1ccncc1[N+](=O)[O-])N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000183596127 536010948 /nfs/dbraw/zinc/01/09/48/536010948.db2.gz UFVNBAFIYYLHPC-QGZVFWFLSA-N 0 0 371.397 1.873 10 5 FDBERN CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184388748 536143188 /nfs/dbraw/zinc/14/31/88/536143188.db2.gz CDMFZITVZXUETE-CQSZACIVSA-N 0 0 369.443 1.805 10 5 FDBERN C[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1nnc2n1CCCC2 ZINC000184696309 536177004 /nfs/dbraw/zinc/17/70/04/536177004.db2.gz JGFLOXULTXFTAJ-NSHDSACASA-N 0 0 365.415 1.703 10 5 FDBERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000184886384 536189668 /nfs/dbraw/zinc/18/96/68/536189668.db2.gz SEGOWNBTJYYIMY-BBRMVZONSA-N 0 0 350.419 1.754 10 5 FDBERN CC(C)c1nnc2n1C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000188301721 536289454 /nfs/dbraw/zinc/28/94/54/536289454.db2.gz KYKNGNGKOYAOIR-LBPRGKRZSA-N 0 0 372.385 1.379 10 5 FDBERN CCc1n[nH]c(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC)c1[N+](=O)[O-] ZINC000246336176 536930487 /nfs/dbraw/zinc/93/04/87/536930487.db2.gz BLFQMWJKNWVYMX-WCQGTBRESA-N 0 0 350.375 1.827 10 5 FDBERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000262911648 536936404 /nfs/dbraw/zinc/93/64/04/536936404.db2.gz CRKVIDJPSMHBNY-LBPRGKRZSA-N 0 0 371.415 1.154 10 5 FDBERN C[C@H](O)CN1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000246692927 537004923 /nfs/dbraw/zinc/00/49/23/537004923.db2.gz JQOXVFMVMZOYDN-IHRRRGAJSA-N 0 0 367.471 1.989 10 5 FDBERN Cc1nnc([C@@H]2CN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CCO2)[nH]1 ZINC000247243031 537099956 /nfs/dbraw/zinc/09/99/56/537099956.db2.gz YBUBJJQITOGPPJ-GJZGRUSLSA-N 0 0 372.385 1.200 10 5 FDBERN COC(=O)c1cnc(N[C@@H]2CCc3nnc(C(C)C)n3C2)c([N+](=O)[O-])c1 ZINC000190171113 537149629 /nfs/dbraw/zinc/14/96/29/537149629.db2.gz CMTNPIYJGURLJZ-LLVKDONJSA-N 0 0 360.374 1.918 10 5 FDBERN COCC[N@@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000247817408 537152870 /nfs/dbraw/zinc/15/28/70/537152870.db2.gz WNFFJMVFIALRCZ-HNNXBMFYSA-N 0 0 364.446 1.884 10 5 FDBERN COC(=O)Cc1cn2c(cc(I)cc2[N+](=O)[O-])n1 ZINC000585656069 551580868 /nfs/dbraw/zinc/58/08/68/551580868.db2.gz BTZOPXQVYHHTRC-UHFFFAOYSA-N 0 0 361.095 1.563 10 5 FDBERN NS(=O)(=O)c1cccc(N[C@@H]2CCN(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000272461558 674448134 /nfs/dbraw/zinc/44/81/34/674448134.db2.gz HGDAOSKXOBWSKU-GFCCVEGCSA-N 0 0 362.411 1.933 10 5 FDBERN O=C(NCc1cccs1)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000054926058 671221829 /nfs/dbraw/zinc/22/18/29/671221829.db2.gz VMYNYKSAUVEFGP-ZIAGYGMSSA-N 0 0 351.384 1.550 10 5 FDBERN Cc1nc(NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1[N+](=O)[O-] ZINC000702786828 884200723 /nfs/dbraw/zinc/20/07/23/884200723.db2.gz UMKWMEOVPHXSQH-DGCLKSJQSA-N 0 0 352.391 1.938 10 5 FDBERN O=C([O-])c1cnc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000702576935 977093767 /nfs/dbraw/zinc/09/37/67/977093767.db2.gz SOPHGXIXURMVOQ-GOSISDBHSA-N 0 0 372.381 1.737 10 5 FDBERN Cc1cc(C)c(S(=O)(=O)NC[C@@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000191873981 178074466 /nfs/dbraw/zinc/07/44/66/178074466.db2.gz PHQOLNFCUQLZKI-CYBMUJFWSA-N 0 0 357.432 1.211 10 5 FDBERN Cc1csc([C@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CCO2)n1 ZINC000194330453 178207403 /nfs/dbraw/zinc/20/74/03/178207403.db2.gz IPJWMCVWWSRTGJ-GFCCVEGCSA-N 0 0 366.403 1.339 10 5 FDBERN CNC(=O)c1ccc(N(C)C[C@H]2CCCN2c2cccnn2)c([N+](=O)[O-])c1 ZINC000261390919 178592220 /nfs/dbraw/zinc/59/22/20/178592220.db2.gz FRDSKOBZDRCOOJ-CQSZACIVSA-N 0 0 370.413 1.850 10 5 FDBERN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(c2ccccc2)C1 ZINC000264381491 179093328 /nfs/dbraw/zinc/09/33/28/179093328.db2.gz IMLCJUOGZIPHIX-GFCCVEGCSA-N 0 0 362.411 1.933 10 5 FDBERN CS(=O)(=O)c1ccc(N2CCC[C@H](Cn3cncn3)C2)c([N+](=O)[O-])c1 ZINC000264556690 179135228 /nfs/dbraw/zinc/13/52/28/179135228.db2.gz MYPXEZGIFGDHLG-LBPRGKRZSA-N 0 0 365.415 1.506 10 5 FDBERN COCCN(CCOC)c1ncnc(-n2nc(C)cc2C)c1[N+](=O)[O-] ZINC000040618400 205074471 /nfs/dbraw/zinc/07/44/71/205074471.db2.gz IHORRZIVNOHLGI-UHFFFAOYSA-N 0 0 350.379 1.287 10 5 FDBERN CCCc1n[nH]c(C(=O)N[C@H]2C[C@H](OCC)C23CCOCC3)c1[N+](=O)[O-] ZINC000186457525 177745415 /nfs/dbraw/zinc/74/54/15/177745415.db2.gz STJGPBSQGAGRPW-STQMWFEESA-N 0 0 366.418 1.974 10 5 FDBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000186176452 177731386 /nfs/dbraw/zinc/73/13/86/177731386.db2.gz RTEZWHQGWXJBIK-UHFFFAOYSA-N 0 0 353.400 1.192 10 5 FDBERN C[C@H](NC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000172232528 258272036 /nfs/dbraw/zinc/27/20/36/258272036.db2.gz ZITLKWRLLREUCA-KNXALSJPSA-N 0 0 351.403 1.867 10 5 FDBERN Cc1cnn(CCNC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000172292457 258272756 /nfs/dbraw/zinc/27/27/56/258272756.db2.gz BCLWGCCWOGYMHU-UHFFFAOYSA-N 0 0 358.402 1.632 10 5 FDBERN Cc1cc(N2CCC[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)n(C)n1 ZINC000173319817 258296345 /nfs/dbraw/zinc/29/63/45/258296345.db2.gz MRAZKWQXPYBBGZ-CQSZACIVSA-N 0 0 372.385 1.954 10 5 FDBERN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000090524156 172265718 /nfs/dbraw/zinc/26/57/18/172265718.db2.gz MRSWTGWBGOQNNL-OAHLLOKOSA-N 0 0 372.429 1.912 10 5 FDBERN COc1c(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C)nn1C ZINC000093608113 172319016 /nfs/dbraw/zinc/31/90/16/172319016.db2.gz VDCWZZSGTDQTFY-UHFFFAOYSA-N 0 0 373.413 1.603 10 5 FDBERN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCO[C@H](Cn2cccn2)C1 ZINC000106193443 172431554 /nfs/dbraw/zinc/43/15/54/172431554.db2.gz YGJMAGBCTYSPMX-KBPBESRZSA-N 0 0 359.386 1.519 10 5 FDBERN Cc1cc(C(=O)N2CCCN(c3cccnn3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000109630373 172504094 /nfs/dbraw/zinc/50/40/94/172504094.db2.gz RTKHNECSPIGTSV-UHFFFAOYSA-N 0 0 356.386 1.628 10 5 FDBERN COc1cc(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)ccc1[N+](=O)[O-] ZINC000112063076 172564745 /nfs/dbraw/zinc/56/47/45/172564745.db2.gz JPDZSMSWADHURK-CQSZACIVSA-N 0 0 360.370 1.650 10 5 FDBERN Cc1ccc(CN2CCN(c3ccc4nncn4n3)CC2)cc1[N+](=O)[O-] ZINC000120477243 172801110 /nfs/dbraw/zinc/80/11/10/172801110.db2.gz IDWPQWMEFZTJMO-UHFFFAOYSA-N 0 0 353.386 1.663 10 5 FDBERN C[C@H]1CN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C[C@@H]1N1CCOCC1 ZINC000125926871 173023488 /nfs/dbraw/zinc/02/34/88/173023488.db2.gz DTFHRAKAVWOVMH-WFASDCNBSA-N 0 0 369.443 1.155 10 5 FDBERN Cc1c(C(=O)N2CCC[C@H](Cn3cncn3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000127080099 173063872 /nfs/dbraw/zinc/06/38/72/173063872.db2.gz ZMNPAPJZEPDTPB-LBPRGKRZSA-N 0 0 374.357 1.955 10 5 FDBERN Cc1nnc([C@@H]2CN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)CCO2)[nH]1 ZINC000136434435 173361336 /nfs/dbraw/zinc/36/13/36/173361336.db2.gz KURWBZCADQZTPQ-HNNXBMFYSA-N 0 0 370.369 1.645 10 5 FDBERN CCCC1(CNC(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000154207894 173492942 /nfs/dbraw/zinc/49/29/42/173492942.db2.gz BDAXTKIDZLNDPK-GJZGRUSLSA-N 0 0 351.403 1.869 10 5 FDBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)c1 ZINC000156071411 173573552 /nfs/dbraw/zinc/57/35/52/173573552.db2.gz DGGTULVULJOTDC-INIZCTEOSA-N 0 0 363.395 1.973 10 5 FDBERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000157086907 173609028 /nfs/dbraw/zinc/60/90/28/173609028.db2.gz NXHGKEXVKYUULR-NSHDSACASA-N 0 0 369.378 1.701 10 5 FDBERN 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/nfs/dbraw/zinc/10/55/24/208105524.db2.gz LUWJKZQXEIOILK-UHFFFAOYSA-N 0 0 354.359 1.491 10 5 FDBERN Cn1cc([C@H]2CCCN2S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000184414992 177630684 /nfs/dbraw/zinc/63/06/84/177630684.db2.gz YFTPCHMKFDJRON-CQSZACIVSA-N 0 0 350.400 1.995 10 5 FDBERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)ncn1 ZINC000173413192 258298234 /nfs/dbraw/zinc/29/82/34/258298234.db2.gz LZAJBXWXANWMME-GFCCVEGCSA-N 0 0 371.401 1.408 10 5 FDBERN CNc1cc(N2CCC[C@H]2CNC(=O)Cc2ccc([N+](=O)[O-])cc2)ncn1 ZINC000173408252 258298461 /nfs/dbraw/zinc/29/84/61/258298461.db2.gz SHJKIBJVTPUSQV-HNNXBMFYSA-N 0 0 370.413 1.754 10 5 FDBERN Cc1ccc(C(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1[N+](=O)[O-] ZINC000038510348 171893529 /nfs/dbraw/zinc/89/35/29/171893529.db2.gz RIGTUKYTJKSOAB-UHFFFAOYSA-N 0 0 367.369 1.303 10 5 FDBERN O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000092517302 172299779 /nfs/dbraw/zinc/29/97/79/172299779.db2.gz PRASKFZABMIYSI-KGLIPLIRSA-N 0 0 358.341 1.931 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ZINC000127514773 173079922 /nfs/dbraw/zinc/07/99/22/173079922.db2.gz ZRKINTSJCDACCM-CYBMUJFWSA-N 0 0 358.402 1.805 10 5 FDBERN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127781508 173090184 /nfs/dbraw/zinc/09/01/84/173090184.db2.gz BKZOWPCLDBEAMJ-NSHDSACASA-N 0 0 360.330 1.647 10 5 FDBERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000130570341 173174192 /nfs/dbraw/zinc/17/41/92/173174192.db2.gz MBUJZXZZBYXUBD-CYBMUJFWSA-N 0 0 359.386 1.835 10 5 FDBERN C[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCOCC1 ZINC000132724671 173240737 /nfs/dbraw/zinc/24/07/37/173240737.db2.gz VFLCFJBTNNKMDT-CQSZACIVSA-N 0 0 362.430 1.990 10 5 FDBERN O=C(N[C@H]1CCCn2ncnc21)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177592558 174142914 /nfs/dbraw/zinc/14/29/14/174142914.db2.gz ZBQVKEUUPVLRAX-ZDUSSCGKSA-N 0 0 353.342 1.637 10 5 FDBERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000177697827 174151648 /nfs/dbraw/zinc/15/16/48/174151648.db2.gz 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Cc1cc(N2CCC[C@H](NC(=O)Nc3cccc([N+](=O)[O-])c3)C2=O)n(C)n1 ZINC000174179368 258320593 /nfs/dbraw/zinc/32/05/93/258320593.db2.gz YWYSMDCZNQAZKA-AWEZNQCLSA-N 0 0 372.385 1.954 10 5 FDBERN O=c1ccnc2sc(N3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)nn21 ZINC000301119280 259021424 /nfs/dbraw/zinc/02/14/24/259021424.db2.gz VPGOVHREQLUAPW-UHFFFAOYSA-N 0 0 372.410 1.381 10 5 FDBERN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](n2cccn2)C1 ZINC000301161701 259022401 /nfs/dbraw/zinc/02/24/01/259022401.db2.gz HLAANMRCNATXGT-GFCCVEGCSA-N 0 0 351.388 1.280 10 5 FDBERN C[C@@H](CO)N1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000301228312 259023678 /nfs/dbraw/zinc/02/36/78/259023678.db2.gz HWGOEQVXTCELNP-ZDUSSCGKSA-N 0 0 373.413 1.062 10 5 FDBERN Cc1nnc2ccc(N3CCN(c4cc(C)c([N+](=O)[O-])cn4)CC3)nn12 ZINC000301455692 259028108 /nfs/dbraw/zinc/02/81/08/259028108.db2.gz WEWLJAOWEALCEK-UHFFFAOYSA-N 0 0 354.374 1.371 10 5 FDBERN C[C@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1nnc2n1CCCC2 ZINC000301733821 259032448 /nfs/dbraw/zinc/03/24/48/259032448.db2.gz ZFEFPKJGFPVVLY-VIFPVBQESA-N 0 0 366.403 1.343 10 5 FDBERN NC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC000301839313 259034558 /nfs/dbraw/zinc/03/45/58/259034558.db2.gz NYQZEQVGVHOKMW-LLVKDONJSA-N 0 0 355.354 1.415 10 5 FDBERN CS(=O)(=O)c1cccc(N2CCN(c3nccs3)CC2)c1[N+](=O)[O-] ZINC000301909770 259035577 /nfs/dbraw/zinc/03/55/77/259035577.db2.gz RYDPDWLSAFSAIO-UHFFFAOYSA-N 0 0 368.440 1.781 10 5 FDBERN CC(C)NC(=O)C1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000301899627 259035736 /nfs/dbraw/zinc/03/57/36/259035736.db2.gz UACSKSYZRDRGEJ-UHFFFAOYSA-N 0 0 369.443 1.739 10 5 FDBERN CCC(=O)N[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000302626970 259044017 /nfs/dbraw/zinc/04/40/17/259044017.db2.gz IGWVZLPUVKDZAW-LLVKDONJSA-N 0 0 355.416 1.493 10 5 FDBERN CC(=O)O[C@H](C[N+](=O)[O-])[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1 ZINC000038311854 519633823 /nfs/dbraw/zinc/63/38/23/519633823.db2.gz MNTZRJLTTSLORM-FRRDWIJNSA-N 0 0 361.391 1.837 10 5 FDBERN Cc1cc(C(=O)N2CCN(c3ccc4nncn4n3)CC2)ccc1[N+](=O)[O-] ZINC000038510388 519634688 /nfs/dbraw/zinc/63/46/88/519634688.db2.gz HAWSJEZQQCSROW-UHFFFAOYSA-N 0 0 367.369 1.303 10 5 FDBERN O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cccnc1-n1cncn1 ZINC000045745581 522147405 /nfs/dbraw/zinc/14/74/05/522147405.db2.gz XMIBYLARDJKIPE-UHFFFAOYSA-N 0 0 360.355 1.049 10 5 FDBERN Cc1ncc(CN2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)s1 ZINC000110945035 524168193 /nfs/dbraw/zinc/16/81/93/524168193.db2.gz OCUJDQNZSQUMLO-UHFFFAOYSA-N 0 0 361.427 1.900 10 5 FDBERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC2 ZINC000172289533 524190237 /nfs/dbraw/zinc/19/02/37/524190237.db2.gz VXZNNMYHGSULHI-JTQLQIEISA-N 0 0 360.374 1.894 10 5 FDBERN CN(CC(=O)N[C@H]1CCCN(c2cccnn2)C1)c1ccccc1[N+](=O)[O-] ZINC000173527989 524407361 /nfs/dbraw/zinc/40/73/61/524407361.db2.gz PPXCQQCUJLBCJO-AWEZNQCLSA-N 0 0 370.413 1.606 10 5 FDBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000173730160 524447349 /nfs/dbraw/zinc/44/73/49/524447349.db2.gz CCGJVFHTLNUMKN-ZDUSSCGKSA-N 0 0 350.400 1.953 10 5 FDBERN Cc1cc(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)ccc1[N+](=O)[O-] ZINC000173983113 524496408 /nfs/dbraw/zinc/49/64/08/524496408.db2.gz QPNZLFAYADANJT-GFCCVEGCSA-N 0 0 351.388 1.521 10 5 FDBERN CCOc1ccc(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000174320511 524538440 /nfs/dbraw/zinc/53/84/40/524538440.db2.gz PTBKSLTTZXKNQJ-CHWSQXEVSA-N 0 0 351.403 1.521 10 5 FDBERN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCN1C[C@@H](C)O ZINC000174622394 524655810 /nfs/dbraw/zinc/65/58/10/524655810.db2.gz JSKKXLRKSBDSHC-DGCLKSJQSA-N 0 0 366.374 1.420 10 5 FDBERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000114874223 524902389 /nfs/dbraw/zinc/90/23/89/524902389.db2.gz JQCZWZJNHBJFBC-NSHDSACASA-N 0 0 365.415 1.350 10 5 FDBERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)CC2 ZINC000114874677 524903107 /nfs/dbraw/zinc/90/31/07/524903107.db2.gz 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O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000173728931 672084100 /nfs/dbraw/zinc/08/41/00/672084100.db2.gz AMCMQGMFNOCSTB-NSHDSACASA-N 0 0 354.363 1.784 10 5 FDBERN O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1csc(C2CC2)n1 ZINC000180473897 672179011 /nfs/dbraw/zinc/17/90/11/672179011.db2.gz XIBMPENRPGAYOJ-JSGCOSHPSA-N 0 0 363.395 1.753 10 5 FDBERN O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1csc(C2CC2)n1 ZINC000180473915 672179083 /nfs/dbraw/zinc/17/90/83/672179083.db2.gz XIBMPENRPGAYOJ-GXTWGEPZSA-N 0 0 363.395 1.753 10 5 FDBERN C[C@H]1CN([C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])c2cccs2)CCO1 ZINC000245915083 672472288 /nfs/dbraw/zinc/47/22/88/672472288.db2.gz WBCZBTOUWMTSGG-WDEREUQCSA-N 0 0 365.415 1.571 10 5 FDBERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000702789359 884202058 /nfs/dbraw/zinc/20/20/58/884202058.db2.gz LMPXIIGPJHWGAN-VHSXEESVSA-N 0 0 371.415 1.614 10 5 FDBERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])[C@H](O)C1 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174118888 /nfs/dbraw/zinc/11/88/88/174118888.db2.gz ZKFWEXBVAKVTOH-RHSMWYFYSA-N 0 0 362.430 1.494 10 5 FDBERN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000180972361 174199358 /nfs/dbraw/zinc/19/93/58/174199358.db2.gz ZPFVJPPFTXXNSV-CQSZACIVSA-N 0 0 365.415 1.428 10 5 FDBERN O=C(Cn1cc([N+](=O)[O-])cn1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000180119003 258362260 /nfs/dbraw/zinc/36/22/60/258362260.db2.gz VZABLDBUDFXDCF-SMDDNHRTSA-N 0 0 352.297 1.404 10 5 FDBERN CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000173829308 258312620 /nfs/dbraw/zinc/31/26/20/258312620.db2.gz ZEYSZAJXTXETHN-CZUORRHYSA-N 0 0 363.414 1.786 10 5 FDBERN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@H]1N1CCOCC1 ZINC000173958704 258315380 /nfs/dbraw/zinc/31/53/80/258315380.db2.gz NCWCUCYUPOXJJU-CXAGYDPISA-N 0 0 362.430 1.454 10 5 FDBERN O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H](N4CCOCC4)C3)n2)c1 ZINC000173954124 258315445 /nfs/dbraw/zinc/31/54/45/258315445.db2.gz 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259028287 /nfs/dbraw/zinc/02/82/87/259028287.db2.gz UNLFZTFTTWJMQT-GFCCVEGCSA-N 0 0 354.370 1.405 10 5 FDBERN CC(C)C(=O)N[C@H]1CCCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000301587249 259030380 /nfs/dbraw/zinc/03/03/80/259030380.db2.gz RUWFGVTZTVVEDB-NSHDSACASA-N 0 0 359.386 1.985 10 5 FDBERN C[C@@H]1CN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000301871646 259035388 /nfs/dbraw/zinc/03/53/88/259035388.db2.gz IXAREWRSCWMDLM-SNVBAGLBSA-N 0 0 371.319 1.676 10 5 FDBERN CS(=O)(=O)c1cc(N2CCC[C@@H](Cn3cncn3)C2)ccc1[N+](=O)[O-] ZINC000124939828 518173519 /nfs/dbraw/zinc/17/35/19/518173519.db2.gz UWCUMYLADNGOHO-GFCCVEGCSA-N 0 0 365.415 1.506 10 5 FDBERN CCCNC(=O)c1[nH]nc2c1CN(C(=O)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000034797159 519596047 /nfs/dbraw/zinc/59/60/47/519596047.db2.gz LPXJKKXHOMNRKI-UHFFFAOYSA-N 0 0 371.397 1.585 10 5 FDBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111084368 524199472 /nfs/dbraw/zinc/19/94/72/524199472.db2.gz KBZIMOAHZKLMPC-AWEZNQCLSA-N 0 0 362.411 1.811 10 5 FDBERN CCCc1n[nH]c(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c1[N+](=O)[O-] ZINC000136867958 524217943 /nfs/dbraw/zinc/21/79/43/524217943.db2.gz UGMWRBMWCXRKAW-SNVBAGLBSA-N 0 0 361.406 1.730 10 5 FDBERN Cc1noc([C@H](C)N2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3N)CC2)n1 ZINC000111621151 524312340 /nfs/dbraw/zinc/31/23/40/524312340.db2.gz XKEADYMYEUTUAT-NSHDSACASA-N 0 0 374.401 1.696 10 5 FDBERN Cc1cnn(C[C@@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000112109197 524406119 /nfs/dbraw/zinc/40/61/19/524406119.db2.gz LQNHTOQYFUDNCO-KRWDZBQOSA-N 0 0 373.413 1.753 10 5 FDBERN O=C1CN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])CCN1CC1CCCC1 ZINC000158405425 524463292 /nfs/dbraw/zinc/46/32/92/524463292.db2.gz RQFVHYLNUXKJDF-UHFFFAOYSA-N 0 0 371.397 1.442 10 5 FDBERN CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2cccnn2)C1 ZINC000122293749 524499149 /nfs/dbraw/zinc/49/91/49/524499149.db2.gz DBQWSIDHWZSGBH-CQSZACIVSA-N 0 0 371.397 1.891 10 5 FDBERN C[C@@H](O)CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@@H]1C ZINC000174350451 524547998 /nfs/dbraw/zinc/54/79/98/524547998.db2.gz VZJCYLACUWTDDC-QWHCGFSZSA-N 0 0 350.419 1.188 10 5 FDBERN O=[N+]([O-])c1ccc(NC[C@H](O)CN2CCOCC2)nc1-c1ccccc1 ZINC000090067882 524577880 /nfs/dbraw/zinc/57/78/80/524577880.db2.gz QCLLGLZGIJGYDG-HNNXBMFYSA-N 0 0 358.398 1.762 10 5 FDBERN Cc1cc(N2CCC[C@@H](NC(=O)c3csc([N+](=O)[O-])c3)C2=O)n(C)n1 ZINC000175004051 524831181 /nfs/dbraw/zinc/83/11/81/524831181.db2.gz QNRLLVRCBNDMKC-LLVKDONJSA-N 0 0 363.399 1.624 10 5 FDBERN Cc1cc(N2CCC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3C)C2=O)n(C)n1 ZINC000175004926 524831649 /nfs/dbraw/zinc/83/16/49/524831649.db2.gz VOVXDUWHVAXFMT-HNNXBMFYSA-N 0 0 371.397 1.871 10 5 FDBERN CC(C)NC(=O)C1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000124367247 524966982 /nfs/dbraw/zinc/96/69/82/524966982.db2.gz MXNRQYCRQAXEQU-UHFFFAOYSA-N 0 0 369.443 1.739 10 5 FDBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(c2cccnn2)C1 ZINC000125024939 525124879 /nfs/dbraw/zinc/12/48/79/525124879.db2.gz LJTUIUTVHLUYIW-CYBMUJFWSA-N 0 0 357.370 1.549 10 5 FDBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116371373 525143504 /nfs/dbraw/zinc/14/35/04/525143504.db2.gz CAFYYWHOMUAKED-LLVKDONJSA-N 0 0 366.399 1.515 10 5 FDBERN Cc1cc(N2CCC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3N)C2=O)n(C)n1 ZINC000176975050 525211432 /nfs/dbraw/zinc/21/14/32/525211432.db2.gz LDFMEHIMDPOGQN-GFCCVEGCSA-N 0 0 372.385 1.144 10 5 FDBERN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H]1CCCn2ncnc21 ZINC000164349709 525498345 /nfs/dbraw/zinc/49/83/45/525498345.db2.gz FWTWGUYAYJGKPW-LBPRGKRZSA-N 0 0 351.388 1.183 10 5 FDBERN O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000106069837 525558478 /nfs/dbraw/zinc/55/84/78/525558478.db2.gz BOLNHCAGZDYGMX-INIZCTEOSA-N 0 0 373.413 1.337 10 5 FDBERN COCCN1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000106109619 525600491 /nfs/dbraw/zinc/60/04/91/525600491.db2.gz NPKMLNQMUVUXQL-LBPRGKRZSA-N 0 0 370.837 1.839 10 5 FDBERN CCOCCN1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000106112795 525602332 /nfs/dbraw/zinc/60/23/32/525602332.db2.gz MSMRQVUVFLRGSH-GJZGRUSLSA-N 0 0 364.446 1.964 10 5 FDBERN O=C(CCN1CCO[C@H](Cn2cccn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000106193993 525663673 /nfs/dbraw/zinc/66/36/73/525663673.db2.gz QLAFFNJFQZCBJZ-INIZCTEOSA-N 0 0 359.386 1.521 10 5 FDBERN CC[C@@H](NC(=O)NCCNC(=O)c1ccn[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000181697016 525896266 /nfs/dbraw/zinc/89/62/66/525896266.db2.gz YUHOUUVMLSFHJZ-CYBMUJFWSA-N 0 0 360.374 1.498 10 5 FDBERN CCOc1ccnc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000109653225 526154047 /nfs/dbraw/zinc/15/40/47/526154047.db2.gz POXLLIZRNVJTBC-UHFFFAOYSA-N 0 0 357.370 1.746 10 5 FDBERN CCc1n[nH]c(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC)c1[N+](=O)[O-] ZINC000246336163 536930375 /nfs/dbraw/zinc/93/03/75/536930375.db2.gz BLFQMWJKNWVYMX-JLLWLGSASA-N 0 0 350.375 1.827 10 5 FDBERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000262971598 536950888 /nfs/dbraw/zinc/95/08/88/536950888.db2.gz JZURRLZPYDPOPT-UHFFFAOYSA-N 0 0 364.402 1.374 10 5 FDBERN C[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1N1CCOCC1 ZINC000246488847 536964229 /nfs/dbraw/zinc/96/42/29/536964229.db2.gz LYSWEMBMQPYRPQ-XJKSGUPXSA-N 0 0 369.443 1.077 10 5 FDBERN O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c1 ZINC000246521441 536972300 /nfs/dbraw/zinc/97/23/00/536972300.db2.gz CEJHHUADTUENIA-WOSRLPQWSA-N 0 0 368.340 1.238 10 5 FDBERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000263108528 536975235 /nfs/dbraw/zinc/97/52/35/536975235.db2.gz VIMJODRVQZGURJ-UHFFFAOYSA-N 0 0 350.375 1.962 10 5 FDBERN C[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1N1CCOCC1 ZINC000246599740 536989277 /nfs/dbraw/zinc/98/92/77/536989277.db2.gz XJBWFUDPFCWVMB-KBXCAEBGSA-N 0 0 374.441 1.136 10 5 FDBERN CCOC(=O)c1ccnc(NC2CC([N@H+](CC)CC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000263543361 537043390 /nfs/dbraw/zinc/04/33/90/537043390.db2.gz FFOQPPDDFRZZQC-UHFFFAOYSA-N 0 0 366.374 1.516 10 5 FDBERN Cn1nccc1C1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000272539284 674455439 /nfs/dbraw/zinc/45/54/39/674455439.db2.gz PRUWVISHERFRCM-UHFFFAOYSA-N 0 0 365.415 1.360 10 5 FDBERN O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)n1 ZINC000130186671 671791740 /nfs/dbraw/zinc/79/17/40/671791740.db2.gz YMHYJKUVPGGTAP-GXTWGEPZSA-N 0 0 351.746 1.468 10 5 FDBERN O=C(N[C@@H]1CCc2ncnn2C1)c1cccc([N+](=O)[O-])c1Br ZINC000192350265 178110759 /nfs/dbraw/zinc/11/07/59/178110759.db2.gz XLHINWCGZCJWKJ-MRVPVSSYSA-N 0 0 366.175 1.694 10 5 FDBERN O=[N+]([O-])c1cncc(Br)c1NC[C@H]1CCS(=O)(=O)C1 ZINC000230176368 178273369 /nfs/dbraw/zinc/27/33/69/178273369.db2.gz IUXRATQZXVNSMB-SSDOTTSWSA-N 0 0 350.194 1.599 10 5 FDBERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000185802566 177711665 /nfs/dbraw/zinc/71/16/65/177711665.db2.gz HLYMOIGZIYJMIS-SNVBAGLBSA-N 0 0 351.388 1.042 10 5 FDBERN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172766893 258284914 /nfs/dbraw/zinc/28/49/14/258284914.db2.gz CIGDHCOMIIYRKG-GFCCVEGCSA-N 0 0 350.331 1.050 10 5 FDBERN C[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000006235636 132373646 /nfs/dbraw/zinc/37/36/46/132373646.db2.gz AHOJBNIXOCPJTR-ZDUSSCGKSA-N 0 0 369.443 1.995 10 5 FDBERN C[C@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000173407459 258298413 /nfs/dbraw/zinc/29/84/13/258298413.db2.gz NUCHZBHUCMQCLK-YOEHRIQHSA-N 0 0 362.430 1.210 10 5 FDBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000030118116 171883815 /nfs/dbraw/zinc/88/38/15/171883815.db2.gz MSQNDYACKLLDKR-SNAWJCMRSA-N 0 0 373.409 1.705 10 5 FDBERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000088197780 172229132 /nfs/dbraw/zinc/22/91/32/172229132.db2.gz GPEJMWHEGKZTAI-LBPRGKRZSA-N 0 0 358.402 1.836 10 5 FDBERN C[C@@H]1CN(S(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[C@H](C)O1 ZINC000088795268 172237854 /nfs/dbraw/zinc/23/78/54/172237854.db2.gz ZYCXIJPMTLPKNI-TXEJJXNPSA-N 0 0 355.416 1.307 10 5 FDBERN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCCCO ZINC000098075099 172331612 /nfs/dbraw/zinc/33/16/12/172331612.db2.gz PFPYQKWFVBFMGW-CYBMUJFWSA-N 0 0 357.794 1.501 10 5 FDBERN Cc1nn(CCC(=O)N2CCCN(c3cccnn3)CC2)c(C)c1[N+](=O)[O-] ZINC000109631568 172504650 /nfs/dbraw/zinc/50/46/50/172504650.db2.gz FSQXGRYKAPJRTF-UHFFFAOYSA-N 0 0 373.417 1.327 10 5 FDBERN CS(=O)(=O)c1cc(N2CCO[C@@H](Cn3cccn3)C2)ccc1[N+](=O)[O-] ZINC000124774606 172981801 /nfs/dbraw/zinc/98/18/01/172981801.db2.gz GUGSJIJCLMXVGH-CYBMUJFWSA-N 0 0 366.399 1.100 10 5 FDBERN Cc1nc(C)c(C(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000130148812 173161412 /nfs/dbraw/zinc/16/14/12/173161412.db2.gz FEEOJBXOHKELII-QWHCGFSZSA-N 0 0 351.384 1.492 10 5 FDBERN CCc1nc(CC(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000130250612 173164416 /nfs/dbraw/zinc/16/44/16/173164416.db2.gz PWWKCCAUHYKCRS-BBRMVZONSA-N 0 0 365.411 1.367 10 5 FDBERN CCc1nnc([C@@H]2CN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CCO2)[nH]1 ZINC000131569309 173207756 /nfs/dbraw/zinc/20/77/56/173207756.db2.gz XSYWPPOSDSPGQG-AWEZNQCLSA-N 0 0 372.385 1.738 10 5 FDBERN CCc1nnc([C@@H]2CN(c3ccc(C(=O)NC)cc3[N+](=O)[O-])CCO2)[nH]1 ZINC000131629314 173209973 /nfs/dbraw/zinc/20/99/73/173209973.db2.gz MJFVSMSRPSARBP-ZDUSSCGKSA-N 0 0 360.374 1.213 10 5 FDBERN CC(C)C(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000133647185 173270663 /nfs/dbraw/zinc/27/06/63/173270663.db2.gz HOKXZBZFCCTEGD-UHFFFAOYSA-N 0 0 365.205 1.861 10 5 FDBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136420271 173361577 /nfs/dbraw/zinc/36/15/77/173361577.db2.gz IVBAZKPBHBPBPH-UHFFFAOYSA-N 0 0 371.332 1.134 10 5 FDBERN C[C@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1N1CCOCC1 ZINC000136545879 173362266 /nfs/dbraw/zinc/36/22/66/173362266.db2.gz CNMSCHACQDPZDE-UGSOOPFHSA-N 0 0 372.425 1.798 10 5 FDBERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)CC2 ZINC000136853054 173365658 /nfs/dbraw/zinc/36/56/58/173365658.db2.gz FRWCPTVAFCWUFE-JTQLQIEISA-N 0 0 369.385 1.931 10 5 FDBERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000176018611 174044884 /nfs/dbraw/zinc/04/48/84/174044884.db2.gz HTNJKHBOSKLNHK-LBPRGKRZSA-N 0 0 358.358 1.393 10 5 FDBERN Cc1cnn([C@H]2CCCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000177669041 174149445 /nfs/dbraw/zinc/14/94/45/174149445.db2.gz GPMPQOGGJGMCTJ-HNNXBMFYSA-N 0 0 357.370 1.902 10 5 FDBERN CC[C@H](NC(=O)C(=O)Nc1cn(C)c(=O)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000183115832 177555302 /nfs/dbraw/zinc/55/53/02/177555302.db2.gz KPOWOZTVNIYJKX-AWEZNQCLSA-N 0 0 372.381 1.808 10 5 FDBERN O=C(N[C@H]1CCCn2ncnc21)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000179717675 258356560 /nfs/dbraw/zinc/35/65/60/258356560.db2.gz QIFSERLWASMULH-ZDUSSCGKSA-N 0 0 372.385 1.288 10 5 FDBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)c1C 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ZINC000302161413 676540803 /nfs/dbraw/zinc/54/08/03/676540803.db2.gz PINUTJYYYZZFPQ-UHFFFAOYSA-N 0 0 367.362 1.035 10 5 FDBERN CCOCCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1CC ZINC000191678736 178065890 /nfs/dbraw/zinc/06/58/90/178065890.db2.gz INVYZEGSTUOBFI-ZDUSSCGKSA-N 0 0 350.419 1.750 10 5 FDBERN COc1ccc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000193880453 178186434 /nfs/dbraw/zinc/18/64/34/178186434.db2.gz UZFHUWYSTSOAHP-GFCCVEGCSA-N 0 0 355.416 1.462 10 5 FDBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000194606284 178217363 /nfs/dbraw/zinc/21/73/63/178217363.db2.gz RBHBYFCIWZFCRE-UHFFFAOYSA-N 0 0 357.414 1.985 10 5 FDBERN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000172761440 258284563 /nfs/dbraw/zinc/28/45/63/258284563.db2.gz BCUCQKSSVUDMKR-KRWDZBQOSA-N 0 0 362.430 1.720 10 5 FDBERN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111360199 172549937 /nfs/dbraw/zinc/54/99/37/172549937.db2.gz PAUQNDAUADDUTA-NSHDSACASA-N 0 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ZINC000150817494 173382633 /nfs/dbraw/zinc/38/26/33/173382633.db2.gz ZIHHCIHNQPRZPJ-UHFFFAOYSA-N 0 0 366.399 1.895 10 5 FDBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCCn3ncnc32)c1C ZINC000176744833 174085941 /nfs/dbraw/zinc/08/59/41/174085941.db2.gz FPXMGGQRVQHTHY-LBPRGKRZSA-N 0 0 351.388 1.617 10 5 FDBERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000177718334 174153176 /nfs/dbraw/zinc/15/31/76/174153176.db2.gz CSMGQRXETUUPGK-CYBMUJFWSA-N 0 0 368.357 1.340 10 5 FDBERN CNc1cc(N2CCC[C@H]2CNC(=O)c2c(N)cccc2[N+](=O)[O-])ncn1 ZINC000181136860 174208299 /nfs/dbraw/zinc/20/82/99/174208299.db2.gz HCWKYTQIUXHXIB-NSHDSACASA-N 0 0 371.401 1.408 10 5 FDBERN O=C(CCn1cc([N+](=O)[O-])cn1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000180081887 258361976 /nfs/dbraw/zinc/36/19/76/258361976.db2.gz XWDSATLPRWLKAD-IUODEOHRSA-N 0 0 366.324 1.794 10 5 FDBERN Cc1cc(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)cc([N+](=O)[O-])c1F ZINC000180096679 258362175 /nfs/dbraw/zinc/36/21/75/258362175.db2.gz LJSOQSJWUKSBSF-LLVKDONJSA-N 0 0 369.378 1.660 10 5 FDBERN Cc1c(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000173692214 258307742 /nfs/dbraw/zinc/30/77/42/258307742.db2.gz VQPFIGGBIPEEOV-GFCCVEGCSA-N 0 0 358.358 1.297 10 5 FDBERN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000173978544 258316300 /nfs/dbraw/zinc/31/63/00/258316300.db2.gz MBJKMOYVIUYAEP-ZDUSSCGKSA-N 0 0 364.358 1.358 10 5 FDBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000174003150 258316969 /nfs/dbraw/zinc/31/69/69/258316969.db2.gz BTTMDDVUYSTDPG-AAEUAGOBSA-N 0 0 357.432 1.610 10 5 FDBERN CNc1ccc(/C=c2/s/c(=C\C(=O)c3ccco3)[nH]c2=O)cc1[N+](=O)[O-] ZINC000105631549 222372042 /nfs/dbraw/zinc/37/20/42/222372042.db2.gz WWDDZWDUAXGDRW-MICXRRPDSA-N 0 0 371.374 1.472 10 5 FDBERN C[C@@H](Nc1nc2ccccn2c(=O)c1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC000301192029 259022822 /nfs/dbraw/zinc/02/28/22/259022822.db2.gz SEBCPOMAHBJWIU-NWDGAFQWSA-N 0 0 359.386 1.804 10 5 FDBERN Cc1cc(N2CCN(c3c(C)cccc3[N+](=O)[O-])CC2)n2ncnc2n1 ZINC000301545527 259029511 /nfs/dbraw/zinc/02/95/11/259029511.db2.gz OVLPCXKZRQOQKR-UHFFFAOYSA-N 0 0 353.386 1.976 10 5 FDBERN O=c1c([N+](=O)[O-])c(NC[C@H](CO)Cc2ccccn2)nc2ccccn12 ZINC000301547585 259029539 /nfs/dbraw/zinc/02/95/39/259029539.db2.gz LLCKFDREKCIEJU-GFCCVEGCSA-N 0 0 355.354 1.261 10 5 FDBERN NC(=O)c1cc([N+](=O)[O-])ccc1NCCNc1nnnn1-c1ccccc1 ZINC000301793278 259033507 /nfs/dbraw/zinc/03/35/07/259033507.db2.gz ONDDDHIHXGKVKP-UHFFFAOYSA-N 0 0 368.357 1.193 10 5 FDBERN CN(CCN1C(=O)c2ccccc2C1=O)c1cc(CO)ccc1[N+](=O)[O-] ZINC000302021222 259037893 /nfs/dbraw/zinc/03/78/93/259037893.db2.gz FJUDJIBNEOZPIP-UHFFFAOYSA-N 0 0 355.350 1.820 10 5 FDBERN NS(=O)(=O)c1cccc(N2CCC(c3cc[nH]n3)CC2)c1[N+](=O)[O-] ZINC000302043963 259038353 /nfs/dbraw/zinc/03/83/53/259038353.db2.gz SSRVDQUUHFAYMO-UHFFFAOYSA-N 0 0 351.388 1.349 10 5 FDBERN CCOC(=O)[C@@](O)(CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000002770546 518249443 /nfs/dbraw/zinc/24/94/43/518249443.db2.gz AQBOFPXRVZEPLB-LBPRGKRZSA-N 0 0 350.249 1.780 10 5 FDBERN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111084371 524199059 /nfs/dbraw/zinc/19/90/59/524199059.db2.gz KBZIMOAHZKLMPC-CQSZACIVSA-N 0 0 362.411 1.811 10 5 FDBERN CNc1cc(N2CCC[C@H]2CNc2ccc(C(N)=O)cc2[N+](=O)[O-])ncn1 ZINC000174730879 524712882 /nfs/dbraw/zinc/71/28/82/524712882.db2.gz ITNSTQJLFIDNGJ-LBPRGKRZSA-N 0 0 371.401 1.606 10 5 FDBERN CC(C)(C)n1cc(CN2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)cn1 ZINC000174850058 524759922 /nfs/dbraw/zinc/75/99/22/524759922.db2.gz MCKJHCGOLLKBIP-UHFFFAOYSA-N 0 0 361.450 1.561 10 5 FDBERN Cc1nn(C)c(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000114691689 524851705 /nfs/dbraw/zinc/85/17/05/524851705.db2.gz WWYQDUVZQQYWDX-HNNXBMFYSA-N 0 0 373.413 1.128 10 5 FDBERN Cc1nnc([C@H]2CN(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)[nH]1 ZINC000175415573 524960854 /nfs/dbraw/zinc/96/08/54/524960854.db2.gz NFPZAUSBAJNWKD-QMTHXVAHSA-N 0 0 360.374 1.865 10 5 FDBERN CCOC(=O)C(C(=O)OCC)c1ncc(Br)cc1[N+](=O)[O-] ZINC000095931295 525109146 /nfs/dbraw/zinc/10/91/46/525109146.db2.gz YWDRRHINJWKDTJ-UHFFFAOYSA-N 0 0 361.148 1.962 10 5 FDBERN COc1ccc(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000116370395 525141947 /nfs/dbraw/zinc/14/19/47/525141947.db2.gz JJCYNXAXSOGXID-LLVKDONJSA-N 0 0 366.399 1.515 10 5 FDBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116370449 525142036 /nfs/dbraw/zinc/14/20/36/525142036.db2.gz GQJVRJWYDJIRFO-LBPRGKRZSA-N 0 0 350.400 1.815 10 5 FDBERN CCOCCN1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1CC ZINC000116772440 525212387 /nfs/dbraw/zinc/21/23/87/525212387.db2.gz WQSRPCYPJVPVMB-AWEZNQCLSA-N 0 0 350.419 1.750 10 5 FDBERN CCOCCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1CC ZINC000116899270 525247525 /nfs/dbraw/zinc/24/75/25/525247525.db2.gz JURYSMRDGHAGHA-CQSZACIVSA-N 0 0 371.459 1.716 10 5 FDBERN CCOCCN1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@H]1C ZINC000117280524 525301461 /nfs/dbraw/zinc/30/14/61/525301461.db2.gz NHWJMYWBLAINHV-CYBMUJFWSA-N 0 0 353.423 1.059 10 5 FDBERN CC[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCN1CCOC ZINC000117304372 525315036 /nfs/dbraw/zinc/31/50/36/525315036.db2.gz CQZWOOOIFCOYAH-AWEZNQCLSA-N 0 0 351.403 1.543 10 5 FDBERN O=[N+]([O-])c1cccc(OCCN2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000106092127 525574793 /nfs/dbraw/zinc/57/47/93/525574793.db2.gz IGKBECUQTUZTHP-UHFFFAOYSA-N 0 0 369.385 1.234 10 5 FDBERN Cc1noc([C@@H](C)N2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)n1 ZINC000106133506 525624149 /nfs/dbraw/zinc/62/41/49/525624149.db2.gz GFGNHHHLZZTJBF-LLVKDONJSA-N 0 0 374.401 1.264 10 5 FDBERN O=C(CN1CCO[C@@H](Cn2cccn2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000106190720 525662663 /nfs/dbraw/zinc/66/26/63/525662663.db2.gz HLKGOBDDEVDQQS-MRXNPFEDSA-N 0 0 371.397 1.081 10 5 FDBERN Cc1cnn(C[C@@H]2CN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CCO2)c1 ZINC000108950336 526048497 /nfs/dbraw/zinc/04/84/97/526048497.db2.gz FFGFHGPSOOZBQY-AWEZNQCLSA-N 0 0 371.397 1.890 10 5 FDBERN Cc1noc([C@@H](C)N2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)n1 ZINC000108947471 526048896 /nfs/dbraw/zinc/04/88/96/526048896.db2.gz JIQJKMPQFVBCGV-SECBINFHSA-N 0 0 363.403 1.879 10 5 FDBERN O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182113122 526060254 /nfs/dbraw/zinc/06/02/54/526060254.db2.gz RGTGYWWDWVWVOO-INIZCTEOSA-N 0 0 371.393 1.449 10 5 FDBERN Cc1c(Br)cc(C(=O)NC[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000120584351 526116741 /nfs/dbraw/zinc/11/67/41/526116741.db2.gz WVPLEEQSDAOUFO-LLVKDONJSA-N 0 0 372.219 1.726 10 5 FDBERN Cc1nn(CCC(=O)N2CCC(Nc3cccnn3)CC2)c(C)c1[N+](=O)[O-] ZINC000109639003 526144792 /nfs/dbraw/zinc/14/47/92/526144792.db2.gz CZSVLSQVAZIPRW-UHFFFAOYSA-N 0 0 373.417 1.691 10 5 FDBERN Cc1cc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)cc([N+](=O)[O-])c1 ZINC000109657339 526155423 /nfs/dbraw/zinc/15/54/23/526155423.db2.gz OLKWZRIQBLJPJV-UHFFFAOYSA-N 0 0 357.414 1.985 10 5 FDBERN CCOC(=O)Cc1ccc(N)c(I)c1[N+](=O)[O-] ZINC000575725867 550469061 /nfs/dbraw/zinc/46/90/61/550469061.db2.gz WUCYZRSBSXWTGZ-UHFFFAOYSA-N 0 0 350.112 1.887 10 5 FDBERN Cc1nn(C)c(C)c1CN1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183606278 536014005 /nfs/dbraw/zinc/01/40/05/536014005.db2.gz ONERGBNITMWUEB-UHFFFAOYSA-N 0 0 373.417 1.690 10 5 FDBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000184469277 536154673 /nfs/dbraw/zinc/15/46/73/536154673.db2.gz FHQKGGZCVJCWON-CQSZACIVSA-N 0 0 366.399 1.022 10 5 FDBERN O=C(NC1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1)C1CC1 ZINC000187922754 536278089 /nfs/dbraw/zinc/27/80/89/536278089.db2.gz IYRNKPDBTLMFHR-UHFFFAOYSA-N 0 0 359.791 1.147 10 5 FDBERN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000247512697 537127551 /nfs/dbraw/zinc/12/75/51/537127551.db2.gz VYRPZHYWBKWPHG-AAEUAGOBSA-N 0 0 367.427 1.307 10 5 FDBERN Cn1ncc([N+](=O)[O-])c1N1CC[C@@H](NC(=O)OC(C)(C)C)CC(=O)C1 ZINC000220375517 537487702 /nfs/dbraw/zinc/48/77/02/537487702.db2.gz VVXJASDYOGOHRF-SNVBAGLBSA-N 0 0 353.379 1.391 10 5 FDBERN Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H](NC(=O)CC(C)C)C(C)C ZINC000056219699 671247624 /nfs/dbraw/zinc/24/76/24/671247624.db2.gz ZYXZPUKPRDBLFX-OAHLLOKOSA-N 0 0 354.407 1.830 10 5 FDBERN O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1scnc1C1CC1 ZINC000092518505 671517421 /nfs/dbraw/zinc/51/74/21/671517421.db2.gz DCOUJPABDIPMBD-GXTWGEPZSA-N 0 0 363.395 1.753 10 5 FDBERN O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000130053002 671790438 /nfs/dbraw/zinc/79/04/38/671790438.db2.gz GTFFRFFMBGBHSF-CABCVRRESA-N 0 0 352.293 1.697 10 5 FDBERN O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)n1 ZINC000130187280 671791715 /nfs/dbraw/zinc/79/17/15/671791715.db2.gz YMHYJKUVPGGTAP-OCCSQVGLSA-N 0 0 351.746 1.468 10 5 FDBERN Cc1cc(C)c(S(=O)(=O)N[C@H]2CCCn3ncnc32)cc1[N+](=O)[O-] ZINC000192017198 178084396 /nfs/dbraw/zinc/08/43/96/178084396.db2.gz IJXSHUMWHUSWGJ-NSHDSACASA-N 0 0 351.388 1.617 10 5 FDBERN CC[C@@H](O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000192115805 178093998 /nfs/dbraw/zinc/09/39/98/178093998.db2.gz IWOCDTGCVXLHOP-CQSZACIVSA-N 0 0 371.459 1.289 10 5 FDBERN Cc1cnn(C[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CCO2)c1 ZINC000193913714 178187830 /nfs/dbraw/zinc/18/78/30/178187830.db2.gz ZHHNRXBJSXSSIO-HNNXBMFYSA-N 0 0 361.358 1.909 10 5 FDBERN CC(C)c1nnc2n1C[C@H](NC(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)CC2 ZINC000195287965 178253242 /nfs/dbraw/zinc/25/32/42/178253242.db2.gz RGGQYBZUJASNPP-SNVBAGLBSA-N 0 0 369.385 1.931 10 5 FDBERN CC(C)c1nnc2n1C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CC2 ZINC000195263718 178251823 /nfs/dbraw/zinc/25/18/23/178251823.db2.gz OAWYFBKHEDNSAX-LLVKDONJSA-N 0 0 374.357 1.963 10 5 FDBERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)CC2 ZINC000195292145 178254716 /nfs/dbraw/zinc/25/47/16/178254716.db2.gz ZWYJMEKTYVBFPO-JTQLQIEISA-N 0 0 362.365 1.776 10 5 FDBERN COC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000001652097 219413558 /nfs/dbraw/zinc/41/35/58/219413558.db2.gz CHIVETSRXYVCAS-OAHLLOKOSA-N 0 0 354.318 1.975 10 5 FDBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](N2CCOCC2)C1 ZINC000172742690 258283269 /nfs/dbraw/zinc/28/32/69/258283269.db2.gz AKAWWRHLEFXNLZ-CQSZACIVSA-N 0 0 353.806 1.724 10 5 FDBERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000070706432 172036417 /nfs/dbraw/zinc/03/64/17/172036417.db2.gz IBVQAIOWEZXNII-LBPRGKRZSA-N 0 0 359.379 1.877 10 5 FDBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(Cn3cccn3)CC2)cc1 ZINC000090473756 172264305 /nfs/dbraw/zinc/26/43/05/172264305.db2.gz KVYVLBXAPDKWAI-UHFFFAOYSA-N 0 0 350.400 1.892 10 5 FDBERN CC(C)c1cc(C(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)nn1C ZINC000092517783 172299815 /nfs/dbraw/zinc/29/98/15/172299815.db2.gz MLRWOLSNNVHKDH-GOEBONIOSA-N 0 0 362.386 1.276 10 5 FDBERN O=[N+]([O-])c1c(N2CCN(c3ccc4nncn4n3)CC2)nc2sccn21 ZINC000108946980 172490264 /nfs/dbraw/zinc/49/02/64/172490264.db2.gz ZBRKXYKTJVYVTO-UHFFFAOYSA-N 0 0 371.386 1.068 10 5 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525721615 /nfs/dbraw/zinc/72/16/15/525721615.db2.gz HIXGBIAGLCMMFA-GOEBONIOSA-N 0 0 353.444 1.983 10 5 FDBERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000155221827 525786454 /nfs/dbraw/zinc/78/64/54/525786454.db2.gz VZODFRYZBMPPQJ-LBPRGKRZSA-N 0 0 374.401 1.420 10 5 FDBERN Cc1c(C(=O)NC[C@@H]2CN(C)CCO2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000171286591 525929950 /nfs/dbraw/zinc/92/99/50/525929950.db2.gz RGTWZMIUBFLYEP-LLVKDONJSA-N 0 0 352.347 1.180 10 5 FDBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)c1C ZINC000120588627 526119018 /nfs/dbraw/zinc/11/90/18/526119018.db2.gz XCVKCBZWDFFTKN-LLVKDONJSA-N 0 0 351.388 1.096 10 5 FDBERN CN(c1cccnn1)C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000109641796 526146174 /nfs/dbraw/zinc/14/61/74/526146174.db2.gz AHIUDQXDMJWLJX-UHFFFAOYSA-N 0 0 374.376 1.847 10 5 FDBERN COc1ccc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000109659290 526159864 /nfs/dbraw/zinc/15/98/64/526159864.db2.gz DFKXKQUNDCMPBD-UHFFFAOYSA-N 0 0 373.413 1.685 10 5 FDBERN C[C@@H](O)CN1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@@H]1C ZINC000120881838 526208269 /nfs/dbraw/zinc/20/82/69/526208269.db2.gz AZLVRDYDBVHCLR-UONOGXRCSA-N 0 0 373.413 1.308 10 5 FDBERN C[C@H](C(=O)N1CCO[C@H](Cn2cccn2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185237184 536203342 /nfs/dbraw/zinc/20/33/42/536203342.db2.gz CGKUTQRULQVGNY-JSGCOSHPSA-N 0 0 362.361 1.962 10 5 FDBERN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000186173877 536227738 /nfs/dbraw/zinc/22/77/38/536227738.db2.gz OZRQXCDBUOPYAQ-UHFFFAOYSA-N 0 0 367.427 1.501 10 5 FDBERN CCCc1n[nH]c(C(=O)N[C@H]2C[C@@H](OCC)C23CCOCC3)c1[N+](=O)[O-] ZINC000186457560 536234788 /nfs/dbraw/zinc/23/47/88/536234788.db2.gz STJGPBSQGAGRPW-QWHCGFSZSA-N 0 0 366.418 1.974 10 5 FDBERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCO1 ZINC000262793904 536902189 /nfs/dbraw/zinc/90/21/89/536902189.db2.gz DLWMQKUFDNVWQU-JTQLQIEISA-N 0 0 371.777 1.106 10 5 FDBERN 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O=C(CCN1CCO[C@@H](Cn2cccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000106194065 525663287 /nfs/dbraw/zinc/66/32/87/525663287.db2.gz LXQCVXJJNGGDFA-CQSZACIVSA-N 0 0 359.386 1.521 10 5 FDBERN Cc1cnn(C[C@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CCO2)c1 ZINC000106197980 525667427 /nfs/dbraw/zinc/66/74/27/525667427.db2.gz YVYXUWLEKWWBIX-MRXNPFEDSA-N 0 0 373.413 1.748 10 5 FDBERN Cc1cc(C)n(C[C@@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])CCO2)n1 ZINC000106204045 525671189 /nfs/dbraw/zinc/67/11/89/525671189.db2.gz RBKFQQNOYXGBPV-HNNXBMFYSA-N 0 0 373.413 1.748 10 5 FDBERN CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000106367903 525704418 /nfs/dbraw/zinc/70/44/18/525704418.db2.gz SLAFVUUGQBUEFD-GFCCVEGCSA-N 0 0 365.415 1.775 10 5 FDBERN CC[C@H](O)CN1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000106393026 525708966 /nfs/dbraw/zinc/70/89/66/525708966.db2.gz LBHPEPLSNWDRKL-AWEZNQCLSA-N 0 0 352.347 1.032 10 5 FDBERN Cn1cc([C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cn1 ZINC000171432327 525990905 /nfs/dbraw/zinc/99/09/05/525990905.db2.gz GWSSMFXCHNRRKT-ZDUSSCGKSA-N 0 0 354.363 1.993 10 5 FDBERN O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@H](Cn4cncn4)C3)cc2N1 ZINC000108846880 526033135 /nfs/dbraw/zinc/03/31/35/526033135.db2.gz XHPVHOKFVDZPFD-LBPRGKRZSA-N 0 0 356.386 1.988 10 5 FDBERN CNC(=O)c1ccc(N(C)[C@@H]2CCCN(c3cccnn3)C2)c([N+](=O)[O-])c1 ZINC000108946501 526046471 /nfs/dbraw/zinc/04/64/71/526046471.db2.gz OMVGBLVAXQWWLG-CQSZACIVSA-N 0 0 370.413 1.850 10 5 FDBERN O=[N+]([O-])c1ccc(N2CCN(c3ccc4nncn4n3)CC2)c([N+](=O)[O-])c1 ZINC000108947100 526047139 /nfs/dbraw/zinc/04/71/39/526047139.db2.gz COSZBOWSTJVGSN-UHFFFAOYSA-N 0 0 370.329 1.267 10 5 FDBERN C[C@@H](O)CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C ZINC000182194172 526089857 /nfs/dbraw/zinc/08/98/57/526089857.db2.gz DZGYFFKLYGHXCL-WDEREUQCSA-N 0 0 373.356 1.723 10 5 FDBERN Nc1c(C(=O)N2CCCN(c3cccnn3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000109630229 526142351 /nfs/dbraw/zinc/14/23/51/526142351.db2.gz PTHGOFWWGCNAFL-UHFFFAOYSA-N 0 0 360.349 1.459 10 5 FDBERN CC(C)Cn1cc(C(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000183289810 535956283 /nfs/dbraw/zinc/95/62/83/535956283.db2.gz TXLDFKJMHOVAGQ-HOTGVXAUSA-N 0 0 362.386 1.272 10 5 FDBERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184649076 536172850 /nfs/dbraw/zinc/17/28/50/536172850.db2.gz JZQPYLJQOBAWCG-GFCCVEGCSA-N 0 0 351.388 1.449 10 5 FDBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000186181730 536228004 /nfs/dbraw/zinc/22/80/04/536228004.db2.gz XBHIODRTCFFSQB-UHFFFAOYSA-N 0 0 367.427 1.446 10 5 FDBERN COc1c(F)cc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000186426678 536234349 /nfs/dbraw/zinc/23/43/49/536234349.db2.gz QVLWUOOKZKWKNU-LLVKDONJSA-N 0 0 373.406 1.601 10 5 FDBERN CCN1CCC[C@H](NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000186617319 536238769 /nfs/dbraw/zinc/23/87/69/536238769.db2.gz QEZNKFSBZOXZJZ-JTQLQIEISA-N 0 0 361.395 1.505 10 5 FDBERN CC(C)C(C)(C)CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000186874034 536247016 /nfs/dbraw/zinc/24/70/16/536247016.db2.gz PCDGRTJJQZVJGW-HUUCEWRRSA-N 0 0 353.419 1.971 10 5 FDBERN CCO[C@@H]1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C12CCOCC2 ZINC000187049023 536253495 /nfs/dbraw/zinc/25/34/95/536253495.db2.gz MSRFTRNQUVOXNO-ZIAGYGMSSA-N 0 0 352.391 1.272 10 5 FDBERN CCc1ccccc1CC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000188921282 536971478 /nfs/dbraw/zinc/97/14/78/536971478.db2.gz AAWGASCQLCDPDX-MJGOQNOKSA-N 0 0 358.394 1.910 10 5 FDBERN C[C@H](O)CN1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000246939950 537054630 /nfs/dbraw/zinc/05/46/30/537054630.db2.gz ZYCYHACXNSGSQO-KGLIPLIRSA-N 0 0 373.413 1.308 10 5 FDBERN CCOCC[N@@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000248373266 537174608 /nfs/dbraw/zinc/17/46/08/537174608.db2.gz HQLGUMAYMLGOEH-HZPDHXFCSA-N 0 0 367.446 1.377 10 5 FDBERN NC(=O)c1cc(I)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575665078 550468594 /nfs/dbraw/zinc/46/85/94/550468594.db2.gz AXMPPOQPMROPMZ-UHFFFAOYSA-N 0 0 358.038 1.900 10 5 FDBERN NC(=O)c1cc(OC(F)F)cc([N+](=O)[O-])c1I ZINC000575667825 550468612 /nfs/dbraw/zinc/46/86/12/550468612.db2.gz RLTONKQFWYYCFF-UHFFFAOYSA-N 0 0 358.038 1.900 10 5 FDBERN O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)n1 ZINC000130187068 671791712 /nfs/dbraw/zinc/79/17/12/671791712.db2.gz YMHYJKUVPGGTAP-JSGCOSHPSA-N 0 0 351.746 1.468 10 5 FDBERN CCOc1cccc(N2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000262119013 672730032 /nfs/dbraw/zinc/73/00/32/672730032.db2.gz LSAKVKGAIVEFFW-GFCCVEGCSA-N 0 0 353.375 1.215 10 5 FDBERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000262690990 672830861 /nfs/dbraw/zinc/83/08/61/672830861.db2.gz DXEWWALYFJMPFO-UHFFFAOYSA-N 0 0 351.359 1.271 10 5 FDBERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000262755795 672842738 /nfs/dbraw/zinc/84/27/38/672842738.db2.gz YYUVOMCYHUQITB-UHFFFAOYSA-N 0 0 350.375 1.060 10 5 FDBERN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702784959 884196673 /nfs/dbraw/zinc/19/66/73/884196673.db2.gz PMTXKZUKMYSZRF-WCQYABFASA-N 0 0 352.391 1.938 10 5 FDBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCNC(=O)[C@@H]2C)c1 ZINC000190983953 178034915 /nfs/dbraw/zinc/03/49/15/178034915.db2.gz WQFAYFAWRGELLO-VIFPVBQESA-N 0 0 361.807 1.456 10 5 FDBERN Cc1cc(C)c(S(=O)(=O)NC[C@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000191873994 178074094 /nfs/dbraw/zinc/07/40/94/178074094.db2.gz PHQOLNFCUQLZKI-ZDUSSCGKSA-N 0 0 357.432 1.211 10 5 FDBERN CCn1cc([C@@H]2CN(C(=O)CCn3cc([N+](=O)[O-])nc3C)CCO2)cn1 ZINC000191732271 178067539 /nfs/dbraw/zinc/06/75/39/178067539.db2.gz LWOLMMNXXUWGMC-AWEZNQCLSA-N 0 0 362.390 1.306 10 5 FDBERN CS(=O)(=O)c1cc(C(=O)N2CCN3CCCC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000195046979 178236777 /nfs/dbraw/zinc/23/67/77/178236777.db2.gz MJPXHCQQDSDMIW-ZDUSSCGKSA-N 0 0 367.427 1.309 10 5 FDBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000195286833 178253176 /nfs/dbraw/zinc/25/31/76/178253176.db2.gz GXLNFEFFUDWEQA-GFCCVEGCSA-N 0 0 361.406 1.336 10 5 FDBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000186177112 177731259 /nfs/dbraw/zinc/73/12/59/177731259.db2.gz CSQJJMAVXSFDBA-UHFFFAOYSA-N 0 0 353.400 1.192 10 5 FDBERN CCc1noc([C@H](C)N2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000173021686 258290009 /nfs/dbraw/zinc/29/00/09/258290009.db2.gz PNMNWDQZMTWLQY-ZDUSSCGKSA-N 0 0 373.413 1.988 10 5 FDBERN Cc1c(C(=O)NC[C@@H]2CCCC[C@@H]2O)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000077153087 172122570 /nfs/dbraw/zinc/12/25/70/172122570.db2.gz PQQMRAJZHSYBGI-WFASDCNBSA-N 0 0 359.386 1.765 10 5 FDBERN O=[N+]([O-])c1cc(CN2CCO[C@H](Cn3cccn3)C2)c2c(c1)COCO2 ZINC000106193492 172431368 /nfs/dbraw/zinc/43/13/68/172431368.db2.gz LHCJQOZEBHYOIZ-INIZCTEOSA-N 0 0 360.370 1.559 10 5 FDBERN Cn1cc([C@H]2CCCN2C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])cn1 ZINC000109276859 172498206 /nfs/dbraw/zinc/49/82/06/172498206.db2.gz YLUUCLXYYYNQRG-CQSZACIVSA-N 0 0 358.354 1.883 10 5 FDBERN Cn1cc(C2CCN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)CC2)cn1 ZINC000110413372 172521621 /nfs/dbraw/zinc/52/16/21/172521621.db2.gz IIJQDEIREPNAFY-UHFFFAOYSA-N 0 0 365.415 1.360 10 5 FDBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116586372 172672827 /nfs/dbraw/zinc/67/28/27/172672827.db2.gz CBWISQYNHRNTMZ-GFCCVEGCSA-N 0 0 357.370 1.591 10 5 FDBERN Cn1cc(C[C@H]2CCN(c3ccc([N+](=O)[O-])c(S(C)(=O)=O)c3)C2)cn1 ZINC000125724327 173016037 /nfs/dbraw/zinc/01/60/37/173016037.db2.gz DAHVOYXSQWNIBV-GFCCVEGCSA-N 0 0 364.427 1.801 10 5 FDBERN C[C@H](C(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000130163412 173162292 /nfs/dbraw/zinc/16/22/92/173162292.db2.gz YIQPSLKWNJRXNI-VZJVUDMVSA-N 0 0 350.396 1.971 10 5 FDBERN Cc1cccc(C)c1NCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000130256455 173165077 /nfs/dbraw/zinc/16/50/77/173165077.db2.gz OITCWSBVILPSNU-VQIMIIECSA-N 0 0 373.409 1.834 10 5 FDBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000135279062 173341988 /nfs/dbraw/zinc/34/19/88/173341988.db2.gz JMIBAXHZAIZTMT-LBPRGKRZSA-N 0 0 357.370 1.792 10 5 FDBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(c2cccnn2)C1 ZINC000135298595 173342116 /nfs/dbraw/zinc/34/21/16/173342116.db2.gz WSKUVLNYMZNRFZ-AWEZNQCLSA-N 0 0 371.397 1.939 10 5 FDBERN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCS(=O)(=O)[C@H](C)C1 ZINC000155442368 173543094 /nfs/dbraw/zinc/54/30/94/173543094.db2.gz DYCDIHVEBBQHRS-MNOVXSKESA-N 0 0 366.399 1.825 10 5 FDBERN Cc1cc(N2CCC[C@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)C2=O)n(C)n1 ZINC000174973580 173974729 /nfs/dbraw/zinc/97/47/29/173974729.db2.gz SWKSFQVZCPGNBW-HNNXBMFYSA-N 0 0 371.397 1.491 10 5 FDBERN Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000176684861 174082766 /nfs/dbraw/zinc/08/27/66/174082766.db2.gz TXYZSFZMLFHXAV-SNVBAGLBSA-N 0 0 363.823 1.166 10 5 FDBERN Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000176993444 174099042 /nfs/dbraw/zinc/09/90/42/174099042.db2.gz WFJVXDJOVSJBPF-XJKSGUPXSA-N 0 0 369.443 1.244 10 5 FDBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)c(F)c1 ZINC000180978880 174199298 /nfs/dbraw/zinc/19/92/98/174199298.db2.gz BZMIERLYBSPWAN-LLVKDONJSA-N 0 0 369.378 1.426 10 5 FDBERN O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC[C@H](n2cncn2)C1 ZINC000183025348 177549293 /nfs/dbraw/zinc/54/92/93/177549293.db2.gz ILHBXIFRFLFUJY-LRDDRELGSA-N 0 0 370.369 1.543 10 5 FDBERN Cn1cc([C@H]2CCN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000183665957 177590144 /nfs/dbraw/zinc/59/01/44/177590144.db2.gz USFOPWMZZVBWKF-AWEZNQCLSA-N 0 0 364.427 1.690 10 5 FDBERN Cn1cc(Cl)cc1C(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000180463706 258369247 /nfs/dbraw/zinc/36/92/47/258369247.db2.gz JEUDOONXQWUBQK-GXTWGEPZSA-N 0 0 353.762 1.411 10 5 FDBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173697571 258307830 /nfs/dbraw/zinc/30/78/30/258307830.db2.gz 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VQPFIGGBIPEEOV-LBPRGKRZSA-N 0 0 358.358 1.297 10 5 FDBERN Cc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000173696812 258307931 /nfs/dbraw/zinc/30/79/31/258307931.db2.gz JANJXECQWLNUGS-ZDUSSCGKSA-N 0 0 358.358 1.297 10 5 FDBERN C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1N1CCOCC1 ZINC000173969883 258315837 /nfs/dbraw/zinc/31/58/37/258315837.db2.gz LCBVDEQTZPJPJF-IAQYHMDHSA-N 0 0 359.386 1.264 10 5 FDBERN O=[N+]([O-])c1cccc([C@@H](O)CN2CCN(C[C@H](O)c3ccccc3)CC2)c1 ZINC000178581263 258329385 /nfs/dbraw/zinc/32/93/85/258329385.db2.gz PNFOOXHTGSLOAI-PMACEKPBSA-N 0 0 371.437 1.979 10 5 FDBERN CN1C(=O)CC[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000178838065 258337222 /nfs/dbraw/zinc/33/72/22/258337222.db2.gz FZZXNXWBRGHDRP-WBVHZDCISA-N 0 0 371.397 1.517 10 5 FDBERN CNC(=O)c1cccc(CCNc2nc3ccccn3c(=O)c2[N+](=O)[O-])c1 ZINC000301344302 259026072 /nfs/dbraw/zinc/02/60/72/259026072.db2.gz JEFVOZSLQMDKBP-UHFFFAOYSA-N 0 0 367.365 1.617 10 5 FDBERN Nn1c(Sc2nc3ccccn3c(=O)c2[N+](=O)[O-])nnc1C(F)(F)F ZINC000301710739 259031937 /nfs/dbraw/zinc/03/19/37/259031937.db2.gz KEEDJJLZFJHPHF-UHFFFAOYSA-N 0 0 373.276 1.078 10 5 FDBERN O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)Nc2ccc(C(F)(F)F)nn2)cc1 ZINC000301915170 259035584 /nfs/dbraw/zinc/03/55/84/259035584.db2.gz IOZFOYZSSHEGHC-MFKMUULPSA-N 0 0 358.276 1.910 10 5 FDBERN CS(=O)(=O)c1cccc(NCCc2nnc3ccccn32)c1[N+](=O)[O-] ZINC000301922860 259036475 /nfs/dbraw/zinc/03/64/75/259036475.db2.gz XZIJOOQIQTZAPP-UHFFFAOYSA-N 0 0 361.383 1.696 10 5 FDBERN Cc1c(C(=O)NCCc2nnc(N)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000020201788 518844863 /nfs/dbraw/zinc/84/48/63/518844863.db2.gz YERASUWJUDCYEG-UHFFFAOYSA-N 0 0 352.332 1.218 10 5 FDBERN Cc1c(C(=O)NC[C@@H](C)N2CCOCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000046269781 522266872 /nfs/dbraw/zinc/26/68/72/522266872.db2.gz UFCKSEUTKHQMOG-SNVBAGLBSA-N 0 0 352.347 1.262 10 5 FDBERN Cc1cc(N2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)n2ncnc2n1 ZINC000080971412 523923464 /nfs/dbraw/zinc/92/34/64/523923464.db2.gz LTHATXMUDVGLBD-UHFFFAOYSA-N 0 0 357.349 1.807 10 5 FDBERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000157060486 524202963 /nfs/dbraw/zinc/20/29/63/524202963.db2.gz KUPFHWQKAQISOS-SNVBAGLBSA-N 0 0 351.388 1.562 10 5 FDBERN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCC2 ZINC000121721371 524342025 /nfs/dbraw/zinc/34/20/25/524342025.db2.gz SQEXPQQZRJLYQQ-JTQLQIEISA-N 0 0 351.388 1.562 10 5 FDBERN CCc1noc([C@H](C)N2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000112037284 524391433 /nfs/dbraw/zinc/39/14/33/524391433.db2.gz XBVLVJCTVMAOTC-ZDUSSCGKSA-N 0 0 373.413 1.988 10 5 FDBERN Cc1ccc(N2CCCN(C(=O)CNc3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000112510928 524497937 /nfs/dbraw/zinc/49/79/37/524497937.db2.gz QHIRWOOOCGQHSQ-UHFFFAOYSA-N 0 0 370.413 1.844 10 5 FDBERN O=C(CN1CC[C@H](N2CCOCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000173989176 524499187 /nfs/dbraw/zinc/49/91/87/524499187.db2.gz BIWNGNQANCJZMH-ZDUSSCGKSA-N 0 0 368.821 1.593 10 5 FDBERN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000174976860 524818702 /nfs/dbraw/zinc/81/87/02/524818702.db2.gz XFQKUFJWTURYBH-UHFFFAOYSA-N 0 0 373.369 1.603 10 5 FDBERN Cc1cc(N2CCC[C@H](NC(=O)c3cc(C)cc([N+](=O)[O-])c3)C2=O)n(C)n1 ZINC000175010891 524833691 /nfs/dbraw/zinc/83/36/91/524833691.db2.gz NKCNZIYIUNYAEO-HNNXBMFYSA-N 0 0 371.397 1.871 10 5 FDBERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)CC2 ZINC000114870441 524901864 /nfs/dbraw/zinc/90/18/64/524901864.db2.gz BOBSRGUTWCIEPF-LLVKDONJSA-N 0 0 358.402 1.560 10 5 FDBERN COc1cc(OCC(=O)N2CC[C@H](c3cnn(C)c3)C2)ccc1[N+](=O)[O-] ZINC000116111830 525101432 /nfs/dbraw/zinc/10/14/32/525101432.db2.gz XLDRHXBPEIJBAK-LBPRGKRZSA-N 0 0 360.370 1.732 10 5 FDBERN CCOCCN1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1CC ZINC000116767494 525209602 /nfs/dbraw/zinc/20/96/02/525209602.db2.gz AVLSEWHMCAPWGW-OAHLLOKOSA-N 0 0 365.430 1.933 10 5 FDBERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000177004481 525220386 /nfs/dbraw/zinc/22/03/86/525220386.db2.gz UXLJDSNNLCRUMB-CYBMUJFWSA-N 0 0 365.415 1.925 10 5 FDBERN CCOc1ccc(C(=O)N2CCN(CCOC)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000117288052 525305183 /nfs/dbraw/zinc/30/51/83/525305183.db2.gz LSDINQZEZJMKCG-CYBMUJFWSA-N 0 0 351.403 1.786 10 5 FDBERN O=C(N[C@@H]1CCCn2ncnc21)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000177549576 525309820 /nfs/dbraw/zinc/30/98/20/525309820.db2.gz BQUCWJUVKLRYBX-LLVKDONJSA-N 0 0 354.330 1.032 10 5 FDBERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000153881386 525354230 /nfs/dbraw/zinc/35/42/30/525354230.db2.gz GFVOMJRVFJARTD-GFCCVEGCSA-N 0 0 365.415 1.183 10 5 FDBERN O=[N+]([O-])c1cc(CN2CCCN(c3cccnn3)CC2)c2c(c1)COCO2 ZINC000106071204 525561356 /nfs/dbraw/zinc/56/13/56/525561356.db2.gz KYQGFLVOFWCNBM-UHFFFAOYSA-N 0 0 371.397 1.964 10 5 FDBERN CC[C@H](O)CN1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000106394588 525711228 /nfs/dbraw/zinc/71/12/28/525711228.db2.gz XRQJYJXAMYLXCO-AWEZNQCLSA-N 0 0 350.419 1.312 10 5 FDBERN CC[C@@H](O)CN1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC000106396202 525713912 /nfs/dbraw/zinc/71/39/12/525713912.db2.gz RMVFXTOQHVRTCC-CYBMUJFWSA-N 0 0 366.374 1.340 10 5 FDBERN CC[C@H](O)CN1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000106397953 525715146 /nfs/dbraw/zinc/71/51/46/525715146.db2.gz DOISVZMGOGKYBD-LBPRGKRZSA-N 0 0 353.444 1.845 10 5 FDBERN COCCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C ZINC000181992875 526011008 /nfs/dbraw/zinc/01/10/08/526011008.db2.gz ZILSMILVOLHLHZ-LLVKDONJSA-N 0 0 373.356 1.989 10 5 FDBERN CCCc1n[nH]c(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c1[N+](=O)[O-] ZINC000171806873 526131615 /nfs/dbraw/zinc/13/16/15/526131615.db2.gz AOLONFLZJGLVNE-SNVBAGLBSA-N 0 0 361.406 1.730 10 5 FDBERN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCCN(c2cccnn2)CC1 ZINC000109628482 526139797 /nfs/dbraw/zinc/13/97/97/526139797.db2.gz ZELIZVMQJRLFTE-UHFFFAOYSA-N 0 0 357.370 1.503 10 5 FDBERN O=C1c2ccccc2C(=O)N1C[C@H](O)CN1CCc2c1cccc2[N+](=O)[O-] ZINC000183631095 536018026 /nfs/dbraw/zinc/01/80/26/536018026.db2.gz SKYAAZASNNZGFZ-GFCCVEGCSA-N 0 0 367.361 1.614 10 5 FDBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000184464232 536154685 /nfs/dbraw/zinc/15/46/85/536154685.db2.gz MGHZWDFEYAUFEI-CYBMUJFWSA-N 0 0 369.424 1.955 10 5 FDBERN CC[C@@H](CO)NC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000188237161 536286829 /nfs/dbraw/zinc/28/68/29/536286829.db2.gz UHGCZRBAFZHYCC-IINYFYTJSA-N 0 0 371.821 1.890 10 5 FDBERN CN1CCN(c2nc3nccc(-c4ccc([N+](=O)[O-])cc4)c3c(=O)[nH]2)CC1 ZINC000072440446 536425232 /nfs/dbraw/zinc/42/52/32/536425232.db2.gz FZLTUYOMUXTVEO-UHFFFAOYSA-N 0 0 366.381 1.645 10 5 FDBERN CC[C@@H]1CN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000246934876 537053846 /nfs/dbraw/zinc/05/38/46/537053846.db2.gz RLOWGYQHSFLTED-QWHCGFSZSA-N 0 0 351.403 1.521 10 5 FDBERN CCOCCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000246989641 537063861 /nfs/dbraw/zinc/06/38/61/537063861.db2.gz GCTMXOMXHOKAHU-CQSZACIVSA-N 0 0 371.459 1.635 10 5 FDBERN C[C@H](O)C[N@@H+]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000247567161 537135097 /nfs/dbraw/zinc/13/50/97/537135097.db2.gz GRLWJAKKIZFASE-RDBSUJKOSA-N 0 0 350.419 1.309 10 5 FDBERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000193680275 537254326 /nfs/dbraw/zinc/25/43/26/537254326.db2.gz GOUTXHIMBCNXCU-MRXNPFEDSA-N 0 0 356.382 1.533 10 5 FDBERN CC(C)c1nnc2n1C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000195277012 537387630 /nfs/dbraw/zinc/38/76/30/537387630.db2.gz IJIWOLBPLFIQNA-LBPRGKRZSA-N 0 0 359.386 1.820 10 5 FDBERN COC(=O)c1ccc(OC)cc1OC[C@@H](O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000198914061 537427558 /nfs/dbraw/zinc/42/75/58/537427558.db2.gz TUVHIXHEVNFFKB-NSHDSACASA-N 0 0 365.342 1.335 10 5 FDBERN C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N@+]3([O-])CC[C@@H](OC1=O)[C@@H]23 ZINC000585671711 717184777 /nfs/dbraw/zinc/18/47/77/717184777.db2.gz QIXCUXOLMTWWKN-ZFXDRFGGSA-N 0 0 352.407 1.097 10 5 FDBERN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCOC[C@@H]1CO ZINC000912427908 859759940 /nfs/dbraw/zinc/75/99/40/859759940.db2.gz OTSIFDVJMQQSHZ-AWEZNQCLSA-N 0 0 352.390 1.374 10 5 FDBERN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702784957 884197487 /nfs/dbraw/zinc/19/74/87/884197487.db2.gz PMTXKZUKMYSZRF-DGCLKSJQSA-N 0 0 352.391 1.938 10 5 FDBERN Cc1cnc(NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c([N+](=O)[O-])c1 ZINC000702783596 884227011 /nfs/dbraw/zinc/22/70/11/884227011.db2.gz FSFKRAJSGMRDGD-DGCLKSJQSA-N 0 0 352.391 1.938 10 5 FDBERN Cc1c(Cl)cc(S(=O)(=O)N2CCCNC(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000190987885 178034314 /nfs/dbraw/zinc/03/43/14/178034314.db2.gz MVNROERJMHYAHE-SECBINFHSA-N 0 0 361.807 1.456 10 5 FDBERN NS(=O)(=O)c1ccc(N[C@@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000264370170 179091001 /nfs/dbraw/zinc/09/10/01/179091001.db2.gz GHFAZTVBXDEKHK-GFCCVEGCSA-N 0 0 362.411 1.933 10 5 FDBERN CCc1ccccc1CC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000188921258 177895550 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525304092 /nfs/dbraw/zinc/30/40/92/525304092.db2.gz YIFGPIHLBMYHBS-OAHLLOKOSA-N 0 0 364.446 1.966 10 5 FDBERN COCCN1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@H]1C ZINC000117296192 525308913 /nfs/dbraw/zinc/30/89/13/525308913.db2.gz UCXASYQRPGMMMN-CQSZACIVSA-N 0 0 373.413 1.573 10 5 FDBERN COCCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000117369766 525329191 /nfs/dbraw/zinc/32/91/91/525329191.db2.gz PWEDOEOBRTUZSQ-LLVKDONJSA-N 0 0 361.395 1.075 10 5 FDBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118673281 525521854 /nfs/dbraw/zinc/52/18/54/525521854.db2.gz INTCWUSANDJSTF-ZDUSSCGKSA-N 0 0 370.413 1.850 10 5 FDBERN Cc1nn(CCC(=O)N[C@@H]2CCCN(c3cccnn3)C2)c(C)c1[N+](=O)[O-] ZINC000118674353 525521905 /nfs/dbraw/zinc/52/19/05/525521905.db2.gz WIKNKMHDUJAGCF-CQSZACIVSA-N 0 0 373.417 1.373 10 5 FDBERN O=[N+]([O-])c1ccc(OCCN2CCN(c3ccc4nncn4n3)CC2)cc1 ZINC000106091937 525573424 /nfs/dbraw/zinc/57/34/24/525573424.db2.gz WCOJUXDXQWMMDL-UHFFFAOYSA-N 0 0 369.385 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/nfs/dbraw/zinc/28/49/82/536284982.db2.gz DKUPWOBIMNMXKF-LBPRGKRZSA-N 0 0 351.428 1.863 10 5 FDBERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000262815783 536909433 /nfs/dbraw/zinc/90/94/33/536909433.db2.gz OXMUGQJEKKGYAJ-UHFFFAOYSA-N 0 0 367.427 1.984 10 5 FDBERN C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1N1CCOCC1 ZINC000246452554 536957515 /nfs/dbraw/zinc/95/75/15/536957515.db2.gz MUWIFWKFVMAWIA-CZUORRHYSA-N 0 0 373.413 1.797 10 5 FDBERN CCOCCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000246948693 537056140 /nfs/dbraw/zinc/05/61/40/537056140.db2.gz CQRDTBNUYXSPAQ-CQSZACIVSA-N 0 0 371.459 1.635 10 5 FDBERN C[C@H](O)C[N@@H+]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000247567144 537135344 /nfs/dbraw/zinc/13/53/44/537135344.db2.gz GRLWJAKKIZFASE-IHRRRGAJSA-N 0 0 350.419 1.309 10 5 FDBERN CCOCCN1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000248427433 537180491 /nfs/dbraw/zinc/18/04/91/537180491.db2.gz NGSDBUJDCQYXMS-CQSZACIVSA-N 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1.890 10 5 FDBERN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCCCO ZINC000098075098 172331909 /nfs/dbraw/zinc/33/19/09/172331909.db2.gz PFPYQKWFVBFMGW-ZDUSSCGKSA-N 0 0 357.794 1.501 10 5 FDBERN CCCC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000101580565 172337216 /nfs/dbraw/zinc/33/72/16/172337216.db2.gz YCOZRHFOPLIGNG-NSHDSACASA-N 0 0 373.406 1.803 10 5 FDBERN Cc1nc(CN2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000110023797 172517268 /nfs/dbraw/zinc/51/72/68/172517268.db2.gz LDEZLTPJOXUABC-UHFFFAOYSA-N 0 0 359.386 1.563 10 5 FDBERN COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)c1 ZINC000112064365 172564883 /nfs/dbraw/zinc/56/48/83/172564883.db2.gz JZTXKIVBCIQGQG-CQSZACIVSA-N 0 0 360.370 1.650 10 5 FDBERN Cc1cc(=O)c(C(=O)N[C@@H]2CCCC[C@@H]2O)nn1-c1ccccc1[N+](=O)[O-] ZINC000130648195 173177355 /nfs/dbraw/zinc/17/73/55/173177355.db2.gz ZQQUFENYTWCVGN-DOMZBBRYSA-N 0 0 372.381 1.482 10 5 FDBERN CC(C)c1nc2n(n1)C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000136830823 173365002 /nfs/dbraw/zinc/36/50/02/173365002.db2.gz PFEGYIDJZZWBMU-GFCCVEGCSA-N 0 0 359.386 1.820 10 5 FDBERN Cc1ccc(N2CCCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)nn1 ZINC000176513858 174074145 /nfs/dbraw/zinc/07/41/45/174074145.db2.gz IRUXBWGOHOGQCU-UHFFFAOYSA-N 0 0 356.386 1.628 10 5 FDBERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)n1 ZINC000176738441 174085765 /nfs/dbraw/zinc/08/57/65/174085765.db2.gz HJYZNKNFGQEMSC-ZDUSSCGKSA-N 0 0 358.402 1.938 10 5 FDBERN C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000176992877 174098963 /nfs/dbraw/zinc/09/89/63/174098963.db2.gz QGLCOSFGMGHYKH-YPMHNXCESA-N 0 0 373.406 1.075 10 5 FDBERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000177007015 174100238 /nfs/dbraw/zinc/10/02/38/174100238.db2.gz HSOSTVZJDZGPKB-NSHDSACASA-N 0 0 351.388 1.617 10 5 FDBERN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000180979864 174199333 /nfs/dbraw/zinc/19/93/33/174199333.db2.gz 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O=[N+]([O-])c1cccc([C@@H](O)CN2CCN(C[C@@H](O)c3ccccc3)CC2)c1 ZINC000178581248 258329544 /nfs/dbraw/zinc/32/95/44/258329544.db2.gz PNFOOXHTGSLOAI-UXHICEINSA-N 0 0 371.437 1.979 10 5 FDBERN CCn1cc([C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])CCO2)cn1 ZINC000191717725 258392340 /nfs/dbraw/zinc/39/23/40/258392340.db2.gz BGWKCSCHMGOJNV-INIZCTEOSA-N 0 0 359.386 1.823 10 5 FDBERN COc1ccc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000193881838 258393826 /nfs/dbraw/zinc/39/38/26/258393826.db2.gz FTIBPKCODIORKY-GFCCVEGCSA-N 0 0 355.416 1.462 10 5 FDBERN O=C(N1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000301066697 259020147 /nfs/dbraw/zinc/02/01/47/259020147.db2.gz HGTJUJNMGSPNCZ-UHFFFAOYSA-N 0 0 371.397 1.717 10 5 FDBERN COC(=O)c1cc(N2CCO[C@@](C)(c3cnn(C)c3)C2)ccc1[N+](=O)[O-] ZINC000301683394 259031753 /nfs/dbraw/zinc/03/17/53/259031753.db2.gz VZYYGJJESJCYNW-QGZVFWFLSA-N 0 0 360.370 1.867 10 5 FDBERN COCCN1[C@@H](C)CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000301899947 259035872 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NC(=O)c1cc([N+](=O)[O-])cc(OC(F)F)c1I ZINC000575667449 550468493 /nfs/dbraw/zinc/46/84/93/550468493.db2.gz OQFPIXKEPOOYLS-UHFFFAOYSA-N 0 0 358.038 1.900 10 5 FDBERN CCOC(=O)Cc1cc(N)c(I)c([N+](=O)[O-])c1 ZINC000575726069 550469117 /nfs/dbraw/zinc/46/91/17/550469117.db2.gz YTGKAYFECLOSBP-UHFFFAOYSA-N 0 0 350.112 1.887 10 5 FDBERN COc1ccccc1N1CCN(CC(=O)Nc2cccc([N+](=O)[O-])n2)CC1 ZINC000584655339 551525354 /nfs/dbraw/zinc/52/53/54/551525354.db2.gz HYJUWQLNOHUOQS-UHFFFAOYSA-N 0 0 371.397 1.759 10 5 FDBERN CC(=O)N[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000127553427 671770256 /nfs/dbraw/zinc/77/02/56/671770256.db2.gz HLSQVBFINNLLOB-GFCCVEGCSA-N 0 0 350.331 1.552 10 5 FDBERN O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccnc1Cl ZINC000192713768 672358078 /nfs/dbraw/zinc/35/80/78/672358078.db2.gz OMSHTZSPOORBKN-OLZOCXBDSA-N 0 0 351.746 1.468 10 5 FDBERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000262703718 672832661 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ZINC000185075628 177667199 /nfs/dbraw/zinc/66/71/99/177667199.db2.gz FMMVOOSHHVEOEE-AWEZNQCLSA-N 0 0 361.358 1.607 10 5 FDBERN CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2ccc([N+](=O)[O-])cc2)ncn1 ZINC000173408238 258298635 /nfs/dbraw/zinc/29/86/35/258298635.db2.gz SHJKIBJVTPUSQV-OAHLLOKOSA-N 0 0 370.413 1.754 10 5 FDBERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(F)ccc2[N+](=O)[O-])ncn1 ZINC000173427368 258298777 /nfs/dbraw/zinc/29/87/77/258298777.db2.gz BEWUIVVNXSEXJP-LBPRGKRZSA-N 0 0 374.376 1.964 10 5 FDBERN CC(C)c1ncc(C(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000092518911 172299899 /nfs/dbraw/zinc/29/98/99/172299899.db2.gz WBGVTVLATSDREJ-GXTWGEPZSA-N 0 0 365.411 1.999 10 5 FDBERN Cc1cnn(CCNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000118081424 172710114 /nfs/dbraw/zinc/71/01/14/172710114.db2.gz FQXURTABAFQSMH-UHFFFAOYSA-N 0 0 358.402 1.632 10 5 FDBERN CS(=O)(=O)c1cc(N2CC[C@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000125552893 173010220 /nfs/dbraw/zinc/01/02/20/173010220.db2.gz RHJQHWWDFYJQNA-CYBMUJFWSA-N 0 0 369.443 1.157 10 5 FDBERN CCc1nnc([C@@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3C)CCO2)[nH]1 ZINC000126133539 173029917 /nfs/dbraw/zinc/02/99/17/173029917.db2.gz MODOPMWFQBSRFG-AWEZNQCLSA-N 0 0 359.386 1.726 10 5 FDBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H](Cn2cncn2)C1 ZINC000127634413 173084856 /nfs/dbraw/zinc/08/48/56/173084856.db2.gz CBNBOEFYWWMPPA-CQSZACIVSA-N 0 0 358.402 1.927 10 5 FDBERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCO[C@H](Cn3cccn3)C2)s1 ZINC000129182573 173129883 /nfs/dbraw/zinc/12/98/83/173129883.db2.gz BPFGYWMMAFGGSZ-JTQLQIEISA-N 0 0 372.428 1.162 10 5 FDBERN Cn1nccc1C1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000131898991 173216440 /nfs/dbraw/zinc/21/64/40/173216440.db2.gz XWCCMQIVZHYYDB-UHFFFAOYSA-N 0 0 371.397 1.464 10 5 FDBERN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC(Cn2cccn2)CC1 ZINC000131952281 173218306 /nfs/dbraw/zinc/21/83/06/173218306.db2.gz FFKFYHWDNUVIRX-UHFFFAOYSA-N 0 0 371.397 1.460 10 5 FDBERN CCOc1ccnc(N2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000137046539 173367576 /nfs/dbraw/zinc/36/75/76/173367576.db2.gz WCAKOFFYSDFWDP-INIZCTEOSA-N 0 0 373.413 1.639 10 5 FDBERN Cc1nnc([C@H]2CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CCO2)[nH]1 ZINC000137308345 173370488 /nfs/dbraw/zinc/37/04/88/173370488.db2.gz SYJFJAGXZFFBBA-LLVKDONJSA-N 0 0 351.750 1.888 10 5 FDBERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000156415719 173586348 /nfs/dbraw/zinc/58/63/48/173586348.db2.gz ZQTKLHVXZALDHY-AWEZNQCLSA-N 0 0 374.401 1.710 10 5 FDBERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000177005938 174100218 /nfs/dbraw/zinc/10/02/18/174100218.db2.gz KRUGFUCHNCLKQY-NSHDSACASA-N 0 0 371.806 1.962 10 5 FDBERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000177006348 174100549 /nfs/dbraw/zinc/10/05/49/174100549.db2.gz ZMUVUSGOUYSPOO-ZDUSSCGKSA-N 0 0 365.415 1.925 10 5 FDBERN C[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1N1CCOCC1 ZINC000177227834 174115742 /nfs/dbraw/zinc/11/57/42/174115742.db2.gz MUWIFWKFVMAWIA-BBRMVZONSA-N 0 0 373.413 1.797 10 5 FDBERN C[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1N1CCOCC1 ZINC000177270353 174118589 /nfs/dbraw/zinc/11/85/89/174118589.db2.gz PITVJRGSRHHKOR-BBRMVZONSA-N 0 0 373.413 1.797 10 5 FDBERN O=C(N[C@H]1CCCn2ncnc21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000177337909 174122332 /nfs/dbraw/zinc/12/23/32/174122332.db2.gz NCYPRCFKUKXHOP-ZDUSSCGKSA-N 0 0 371.401 1.553 10 5 FDBERN Cc1c(C(=O)N[C@@H]2CCCn3ncnc32)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000177590767 174143013 /nfs/dbraw/zinc/14/30/13/174143013.db2.gz NPQMUTFWODJNDL-CYBMUJFWSA-N 0 0 368.357 1.340 10 5 FDBERN CCc1noc([C@H](C)N2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)n1 ZINC000181072080 174205857 /nfs/dbraw/zinc/20/58/57/174205857.db2.gz VIGYJSDJPFHPRQ-NSHDSACASA-N 0 0 374.401 1.641 10 5 FDBERN CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@@H]1CCCN(c2cccnn2)C1 ZINC000173590173 258304308 /nfs/dbraw/zinc/30/43/08/258304308.db2.gz DKJKPQBNOYNTPG-GFCCVEGCSA-N 0 0 374.376 1.847 10 5 FDBERN O=[N+]([O-])c1cnn(C[C@H](O)CNC2(c3noc(C4CC4)n3)CCCC2)c1 ZINC000173713629 258308372 /nfs/dbraw/zinc/30/83/72/258308372.db2.gz YAFZRYWVSQWJER-CYBMUJFWSA-N 0 0 362.390 1.472 10 5 FDBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000174002479 258317001 /nfs/dbraw/zinc/31/70/01/258317001.db2.gz MWUJPSIUMFJDSB-AAEUAGOBSA-N 0 0 357.432 1.610 10 5 FDBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000184597173 258382377 /nfs/dbraw/zinc/38/23/77/258382377.db2.gz FZRLDNPNKXNCMD-CQSZACIVSA-N 0 0 350.400 1.786 10 5 FDBERN CSc1nc2nnc3c(ccn(-c4ccc([N+](=O)[O-])cc4C)c3=O)n2n1 ZINC000072452293 221535388 /nfs/dbraw/zinc/53/53/88/221535388.db2.gz CMKPVSZQMGSYKO-UHFFFAOYSA-N 0 0 369.366 1.762 10 5 FDBERN CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000095083146 221844941 /nfs/dbraw/zinc/84/49/41/221844941.db2.gz UWHJLCANHJRLOR-JTQLQIEISA-N 0 0 357.388 1.773 10 5 FDBERN NC(=O)c1cc([N+](=O)[O-])ccc1NCC(=O)N1CCc2sccc2C1 ZINC000301152662 259021929 /nfs/dbraw/zinc/02/19/29/259021929.db2.gz DRGTVBCLKWDUMT-UHFFFAOYSA-N 0 0 360.395 1.752 10 5 FDBERN COC(=O)c1cc(N2CCCN(c3cccnn3)CC2)ccc1[N+](=O)[O-] ZINC000301388130 259027082 /nfs/dbraw/zinc/02/70/82/259027082.db2.gz WYGXTJPWSZJMQP-UHFFFAOYSA-N 0 0 357.370 1.888 10 5 FDBERN O=[N+]([O-])c1ccc(CO)cc1NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000302025941 259037615 /nfs/dbraw/zinc/03/76/15/259037615.db2.gz HXORSXHYZCKKGS-UHFFFAOYSA-N 0 0 355.416 1.456 10 5 FDBERN Cc1noc([C@@H](C)N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000110895618 524155329 /nfs/dbraw/zinc/15/53/29/524155329.db2.gz QODSABXSHDHSHO-GFCCVEGCSA-N 0 0 359.386 1.734 10 5 FDBERN Cc1cc(C)n(C[C@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000110904789 524159279 /nfs/dbraw/zinc/15/92/79/524159279.db2.gz PGPRYUISPZOCKK-QGZVFWFLSA-N 0 0 374.397 1.715 10 5 FDBERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000157093447 524208007 /nfs/dbraw/zinc/20/80/07/524208007.db2.gz FTBMPPMPTRYGSP-GFCCVEGCSA-N 0 0 365.415 1.871 10 5 FDBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@@H](c3nccs3)C2)c(F)c1 ZINC000111343815 524266140 /nfs/dbraw/zinc/26/61/40/524266140.db2.gz CSRYYJMYWKQSMB-LLVKDONJSA-N 0 0 373.387 1.953 10 5 FDBERN Cc1cnn(C[C@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])CCO2)c1 ZINC000112064767 524396183 /nfs/dbraw/zinc/39/61/83/524396183.db2.gz HXZGCVAXNZKYIV-OAHLLOKOSA-N 0 0 373.413 1.829 10 5 FDBERN Cc1cnn(C[C@@H]2CN(C(=O)c3cc(C)cc([N+](=O)[O-])c3N)CCO2)c1 ZINC000112117752 524407753 /nfs/dbraw/zinc/40/77/53/524407753.db2.gz OZXYNBKGGQILKB-ZDUSSCGKSA-N 0 0 359.386 1.532 10 5 FDBERN C[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCS1(=O)=O ZINC000121954093 524417845 /nfs/dbraw/zinc/41/78/45/524417845.db2.gz OIJCSQHYXXRHKN-LBPRGKRZSA-N 0 0 355.416 1.432 10 5 FDBERN Cc1c(NC(=O)[C@@H](C)N2CC[C@H](N3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000173988778 524499704 /nfs/dbraw/zinc/49/97/04/524499704.db2.gz CJESNVDHKDLLDW-CABCVRRESA-N 0 0 362.430 1.637 10 5 FDBERN Cn1nccc1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000159309439 524637501 /nfs/dbraw/zinc/63/75/01/524637501.db2.gz QWOMVMMDLLZBBR-UHFFFAOYSA-N 0 0 350.400 1.897 10 5 FDBERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])CC2 ZINC000159357238 524651548 /nfs/dbraw/zinc/65/15/48/524651548.db2.gz SLOSAEXANKPPOO-LLVKDONJSA-N 0 0 365.415 1.603 10 5 FDBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000114209455 524758379 /nfs/dbraw/zinc/75/83/79/524758379.db2.gz IWYOXNSILDVKBP-CYBMUJFWSA-N 0 0 351.388 1.521 10 5 FDBERN CCCNC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000124342677 524960058 /nfs/dbraw/zinc/96/00/58/524960058.db2.gz GUQZRQOVOOUBSC-LBPRGKRZSA-N 0 0 369.443 1.741 10 5 FDBERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000161271500 525070566 /nfs/dbraw/zinc/07/05/66/525070566.db2.gz YDZDDLWJORRIGE-CYBMUJFWSA-N 0 0 371.401 1.033 10 5 FDBERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000177002798 525217070 /nfs/dbraw/zinc/21/70/70/525217070.db2.gz BPSNAWNZFDYMDS-JTQLQIEISA-N 0 0 371.806 1.962 10 5 FDBERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000177002567 525217586 /nfs/dbraw/zinc/21/75/86/525217586.db2.gz PCBLBMFKWQAQGP-CYBMUJFWSA-N 0 0 351.388 1.449 10 5 FDBERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000177003509 525219401 /nfs/dbraw/zinc/21/94/01/525219401.db2.gz QMWJEGLMLWMVNS-LBPRGKRZSA-N 0 0 351.388 1.617 10 5 FDBERN COCCN1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000117286377 525303300 /nfs/dbraw/zinc/30/33/00/525303300.db2.gz PIWRGIWJCIHDAC-ZDUSSCGKSA-N 0 0 362.430 1.962 10 5 FDBERN Cc1cnn(CCNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000117817386 525399495 /nfs/dbraw/zinc/39/94/95/525399495.db2.gz VQXQQWVMRDEKEY-UHFFFAOYSA-N 0 0 365.777 1.299 10 5 FDBERN CNC(=O)[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000178717535 525469304 /nfs/dbraw/zinc/46/93/04/525469304.db2.gz ZBMSDRBAJUVEGU-CYBMUJFWSA-N 0 0 372.219 1.787 10 5 FDBERN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H]1CCOC1 ZINC000179220027 525545777 /nfs/dbraw/zinc/54/57/77/525545777.db2.gz BKVOWZFSDPGGKK-IINYFYTJSA-N 0 0 369.805 1.908 10 5 FDBERN COCCN1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000106108096 525597984 /nfs/dbraw/zinc/59/79/84/525597984.db2.gz ZPWQCMSNQCJDNV-UKRRQHHQSA-N 0 0 364.446 1.883 10 5 FDBERN O=[N+]([O-])c1cccc(-c2noc(CN3CCO[C@H](Cn4cccn4)C3)n2)c1 ZINC000106190330 525660498 /nfs/dbraw/zinc/66/04/98/525660498.db2.gz WEQXEXXLCDBQLZ-HNNXBMFYSA-N 0 0 370.369 1.742 10 5 FDBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000155129103 525755474 /nfs/dbraw/zinc/75/54/74/525755474.db2.gz QMLXSXVELTWDPK-AWEZNQCLSA-N 0 0 351.388 1.353 10 5 FDBERN COC(=O)[C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000171461644 526002098 /nfs/dbraw/zinc/00/20/98/526002098.db2.gz LIBLFLJJUVHTAL-CYBMUJFWSA-N 0 0 358.354 1.806 10 5 FDBERN Cc1noc([C@@H](C)N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)n1 ZINC000108947466 526048035 /nfs/dbraw/zinc/04/80/35/526048035.db2.gz FDSQTKABGWIEMP-SNVBAGLBSA-N 0 0 360.374 1.268 10 5 FDBERN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H](N2CCOCC2)C1 ZINC000182202844 526091779 /nfs/dbraw/zinc/09/17/79/526091779.db2.gz YDSRWWMSONHUDF-LBPRGKRZSA-N 0 0 371.340 1.743 10 5 FDBERN O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCN2CCCC[C@@H]2C1 ZINC000183371562 535968398 /nfs/dbraw/zinc/96/83/98/535968398.db2.gz FHMBCDOZVOTHBI-OAHLLOKOSA-N 0 0 374.441 1.742 10 5 FDBERN Nc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000184298755 536128854 /nfs/dbraw/zinc/12/88/54/536128854.db2.gz AEMURMUJHHIMAL-YGRLFVJLSA-N 0 0 364.308 1.798 10 5 FDBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@H](n2cncn2)C1 ZINC000184475024 536155011 /nfs/dbraw/zinc/15/50/11/536155011.db2.gz JOBILOIHGCSOPN-ZDUSSCGKSA-N 0 0 351.388 1.353 10 5 FDBERN CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000186270335 536230667 /nfs/dbraw/zinc/23/06/67/536230667.db2.gz REKSCQCYKWMRMF-UHFFFAOYSA-N 0 0 373.413 1.734 10 5 FDBERN COC(=O)[C@@]1(C)CCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000187672488 536271234 /nfs/dbraw/zinc/27/12/34/536271234.db2.gz GQPRQXFWQILVGE-QGZVFWFLSA-N 0 0 358.354 1.948 10 5 FDBERN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246692896 537004649 /nfs/dbraw/zinc/00/46/49/537004649.db2.gz JQOXVFMVMZOYDN-HZSPNIEDSA-N 0 0 367.471 1.989 10 5 FDBERN C[C@H](O)CN1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000246692970 537005373 /nfs/dbraw/zinc/00/53/73/537005373.db2.gz JQOXVFMVMZOYDN-RDBSUJKOSA-N 0 0 367.471 1.989 10 5 FDBERN C[C@H](O)CN1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000246835381 537035990 /nfs/dbraw/zinc/03/59/90/537035990.db2.gz UDGWCGFKIJFBOB-OLZOCXBDSA-N 0 0 353.444 1.600 10 5 FDBERN COCCN1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000247805782 537150895 /nfs/dbraw/zinc/15/08/95/537150895.db2.gz SPOVFQLXLOSISI-UONOGXRCSA-N 0 0 350.419 1.574 10 5 FDBERN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000248373332 537174588 /nfs/dbraw/zinc/17/45/88/537174588.db2.gz IBQRDFBJXKTTBC-HIFRSBDPSA-N 0 0 353.444 1.537 10 5 FDBERN CCn1cc([N+](=O)[O-])c(C(=O)N2[C@H](C(=O)OC)C[C@@H]3CCCC[C@@H]32)n1 ZINC000248663189 537202900 /nfs/dbraw/zinc/20/29/00/537202900.db2.gz JOLKEZAHLZQEJJ-SRVKXCTJSA-N 0 0 350.375 1.758 10 5 FDBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000191477301 537206491 /nfs/dbraw/zinc/20/64/91/537206491.db2.gz PUWAXPXPSLMUSI-SNVBAGLBSA-N 0 0 366.399 1.706 10 5 FDBERN COc1ccc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000249749175 537242407 /nfs/dbraw/zinc/24/24/07/537242407.db2.gz FTIBPKCODIORKY-LBPRGKRZSA-N 0 0 355.416 1.462 10 5 FDBERN COC(=O)Cc1c(I)c(OC)ccc1[N+](=O)[O-] ZINC000575714512 550468960 /nfs/dbraw/zinc/46/89/60/550468960.db2.gz HXXIKLWNRGDBKN-UHFFFAOYSA-N 0 0 351.096 1.924 10 5 FDBERN O=C(NCCc1ccsc1)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000042893494 670930317 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0 360.374 1.471 10 5 FDBERN Cn1cc([C@H]2CCCN2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000182231697 526103812 /nfs/dbraw/zinc/10/38/12/526103812.db2.gz GSNUOKIEKFYEBK-MRXNPFEDSA-N 0 0 364.427 1.939 10 5 FDBERN Cc1ccc(NCCCNC(=O)N[C@H]2CCc3ncnn3C2)c([N+](=O)[O-])c1 ZINC000120661546 526143531 /nfs/dbraw/zinc/14/35/31/526143531.db2.gz XPRPWAWCCIURNZ-ZDUSSCGKSA-N 0 0 373.417 1.611 10 5 FDBERN CN(c1cccnn1)C1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000109641034 526146714 /nfs/dbraw/zinc/14/67/14/526146714.db2.gz VLULLPBTYQOHPJ-UHFFFAOYSA-N 0 0 371.397 1.891 10 5 FDBERN CN1CCO[C@@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182497130 526192505 /nfs/dbraw/zinc/19/25/05/526192505.db2.gz UKPNYSVAEDWVQP-NSHDSACASA-N 0 0 359.835 1.787 10 5 FDBERN CCn1cnnc1[C@@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000109853665 526199897 /nfs/dbraw/zinc/19/98/97/526199897.db2.gz FNICWIDZAAJMOF-CYBMUJFWSA-N 0 0 359.386 1.991 10 5 FDBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000183662338 536025369 /nfs/dbraw/zinc/02/53/69/536025369.db2.gz CLKHWGFKFSGJCO-SECBINFHSA-N 0 0 371.806 1.441 10 5 FDBERN Cc1cc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000186174618 536227849 /nfs/dbraw/zinc/22/78/49/536227849.db2.gz OCSNXOSARZKNNR-UHFFFAOYSA-N 0 0 353.400 1.192 10 5 FDBERN CCO[C@H]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)C12CCOCC2 ZINC000187049091 536253525 /nfs/dbraw/zinc/25/35/25/536253525.db2.gz LALPUTJZPBGQAH-KBPBESRZSA-N 0 0 366.418 1.580 10 5 FDBERN CCO[C@@H]1C[C@@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)C12CCOCC2 ZINC000187055068 536253732 /nfs/dbraw/zinc/25/37/32/536253732.db2.gz DPRYIJZNNROMRO-VXGBXAGGSA-N 0 0 352.391 1.341 10 5 FDBERN Cc1nn(C)c(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000187595178 536269701 /nfs/dbraw/zinc/26/97/01/536269701.db2.gz JJDGVANSUAUJPA-RYUDHWBXSA-N 0 0 350.400 1.546 10 5 FDBERN Cc1cc(N2CCC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3N)C2=O)n(C)n1 ZINC000188028853 536280799 /nfs/dbraw/zinc/28/07/99/536280799.db2.gz VQSNGNPTVWTNLV-CQSZACIVSA-N 0 0 372.385 1.144 10 5 FDBERN Cc1ccc(C(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)cc1[N+](=O)[O-] ZINC000262854015 536920830 /nfs/dbraw/zinc/92/08/30/536920830.db2.gz XPWVHCZXBBGCTM-UHFFFAOYSA-N 0 0 361.398 1.961 10 5 FDBERN C[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1N1CCOCC1 ZINC000246311641 536923929 /nfs/dbraw/zinc/92/39/29/536923929.db2.gz CMIQVUTWVREGSD-XJKSGUPXSA-N 0 0 373.413 1.797 10 5 FDBERN C[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1N1CCOCC1 ZINC000246452567 536956843 /nfs/dbraw/zinc/95/68/43/536956843.db2.gz MUWIFWKFVMAWIA-XJKSGUPXSA-N 0 0 373.413 1.797 10 5 FDBERN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247771429 537149313 /nfs/dbraw/zinc/14/93/13/537149313.db2.gz PGHIHLAQSYQBMG-CZUORRHYSA-N 0 0 359.386 1.519 10 5 FDBERN CC(C)c1nnc(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)n1C ZINC000194642958 537306864 /nfs/dbraw/zinc/30/68/64/537306864.db2.gz NNTXVMNMOXTHKY-KRWDZBQOSA-N 0 0 372.385 1.814 10 5 FDBERN CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000596435405 552679355 /nfs/dbraw/zinc/67/93/55/552679355.db2.gz NHCJMEMBLZNIQJ-GHMZBOCLSA-N 0 0 365.205 1.581 10 5 FDBERN O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1scnc1C1CC1 ZINC000092518502 671517394 /nfs/dbraw/zinc/51/73/94/671517394.db2.gz DCOUJPABDIPMBD-OCCSQVGLSA-N 0 0 363.395 1.753 10 5 FDBERN O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)n1 ZINC000130186878 671791701 /nfs/dbraw/zinc/79/17/01/671791701.db2.gz YMHYJKUVPGGTAP-TZMCWYRMSA-N 0 0 351.746 1.468 10 5 FDBERN CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCN1C[C@H](C)O ZINC000246075387 672485062 /nfs/dbraw/zinc/48/50/62/672485062.db2.gz FKLXLBXABIOOEU-QWRGUYRKSA-N 0 0 363.461 1.122 10 5 FDBERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000702840872 884261118 /nfs/dbraw/zinc/26/11/18/884261118.db2.gz SBMDDCBECBGQIX-GXSJLCMTSA-N 0 0 354.363 1.335 10 5 FDBERN Cc1cc(N2CCC[C@H](NC(=O)c3c(C)cccc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000194775770 178225752 /nfs/dbraw/zinc/22/57/52/178225752.db2.gz DEYRLCMVMFLQOV-ZDUSSCGKSA-N 0 0 371.397 1.871 10 5 FDBERN Cc1nnc([C@H]2CN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CCO2)[nH]1 ZINC000246926018 178461971 /nfs/dbraw/zinc/46/19/71/178461971.db2.gz JEHDSCQMAZUPDU-QMTHXVAHSA-N 0 0 360.374 1.422 10 5 FDBERN Cn1cc(C2CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])CC2)cn1 ZINC000272506612 180750987 /nfs/dbraw/zinc/75/09/87/180750987.db2.gz LZCGABXIQQUNLZ-UHFFFAOYSA-N 0 0 365.415 1.360 10 5 FDBERN COC(=O)/C=C1\S[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)NC1=O ZINC000058899793 212013532 /nfs/dbraw/zinc/01/35/32/212013532.db2.gz HJSDZKYJGFGITO-QGOGUYACSA-N 0 0 371.758 1.182 10 5 FDBERN CCc1noc([C@@H](C)N2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000173021679 258290017 /nfs/dbraw/zinc/29/00/17/258290017.db2.gz PNMNWDQZMTWLQY-CYBMUJFWSA-N 0 0 373.413 1.988 10 5 FDBERN Cc1csc([C@@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CCO2)n1 ZINC000090523202 172265690 /nfs/dbraw/zinc/26/56/90/172265690.db2.gz FQQHGEHPQPXOHB-ZDUSSCGKSA-N 0 0 350.400 1.595 10 5 FDBERN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000106367904 172439135 /nfs/dbraw/zinc/43/91/35/172439135.db2.gz SLAFVUUGQBUEFD-LBPRGKRZSA-N 0 0 365.415 1.775 10 5 FDBERN O=C(N[C@H]1CCc2ncnn2C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000112663200 172586752 /nfs/dbraw/zinc/58/67/52/172586752.db2.gz XXYHFAXNSJLGSN-LBPRGKRZSA-N 0 0 356.386 1.531 10 5 FDBERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000114874210 172638566 /nfs/dbraw/zinc/63/85/66/172638566.db2.gz USGGNZZCDCFXTH-SNVBAGLBSA-N 0 0 351.388 1.042 10 5 FDBERN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(c2cccnn2)C1 ZINC000135272826 173341307 /nfs/dbraw/zinc/34/13/07/173341307.db2.gz XOSANDSSGRLMKA-ZDUSSCGKSA-N 0 0 356.386 1.582 10 5 FDBERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CC2 ZINC000136817724 173365370 /nfs/dbraw/zinc/36/53/70/173365370.db2.gz DQHWFYVCJJCWID-LLVKDONJSA-N 0 0 374.357 1.963 10 5 FDBERN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151372083 173399040 /nfs/dbraw/zinc/39/90/40/173399040.db2.gz IIYXRZGINQZLFE-UGSOOPFHSA-N 0 0 371.397 1.943 10 5 FDBERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)cc1[N+](=O)[O-] ZINC000176742554 174085626 /nfs/dbraw/zinc/08/56/26/174085626.db2.gz BIQNGNQFAOSSLK-LLVKDONJSA-N 0 0 371.806 1.962 10 5 FDBERN C[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1N1CCOCC1 ZINC000176991899 174098838 /nfs/dbraw/zinc/09/88/38/174098838.db2.gz LYSWEMBMQPYRPQ-BBRMVZONSA-N 0 0 369.443 1.077 10 5 FDBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000177387816 174127438 /nfs/dbraw/zinc/12/74/38/174127438.db2.gz BILFMNGZQWVPJY-LBPRGKRZSA-N 0 0 366.805 1.883 10 5 FDBERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177688394 174150664 /nfs/dbraw/zinc/15/06/64/174150664.db2.gz MKTKDVIKQLNQPS-CQSZACIVSA-N 0 0 367.369 1.945 10 5 FDBERN Cn1cc(Cl)cc1C(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000180463741 258368966 /nfs/dbraw/zinc/36/89/66/258368966.db2.gz JEUDOONXQWUBQK-JSGCOSHPSA-N 0 0 353.762 1.411 10 5 FDBERN Cn1cc(CN2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000173569517 258303571 /nfs/dbraw/zinc/30/35/71/258303571.db2.gz HNLVUGLVEXNSAH-UHFFFAOYSA-N 0 0 357.414 1.605 10 5 FDBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000173732987 258309049 /nfs/dbraw/zinc/30/90/49/258309049.db2.gz YRPMMNBUQWRSMZ-AWEZNQCLSA-N 0 0 350.400 1.953 10 5 FDBERN CC[C@H](NC(=O)CN(C)c1ncnc2nc[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000177798643 258326532 /nfs/dbraw/zinc/32/65/32/258326532.db2.gz OFPQZHHFWUXAGB-ZDUSSCGKSA-N 0 0 369.385 1.965 10 5 FDBERN Cc1cc(S(=O)(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000246605228 258397456 /nfs/dbraw/zinc/39/74/56/258397456.db2.gz WFJVXDJOVSJBPF-BBRMVZONSA-N 0 0 369.443 1.244 10 5 FDBERN COC(=O)c1cc(N[C@@H]2CCN(CC(F)(F)F)C2=O)ccc1[N+](=O)[O-] ZINC000301244573 259024087 /nfs/dbraw/zinc/02/40/87/259024087.db2.gz PPXRNUZGELINQE-SNVBAGLBSA-N 0 0 361.276 1.957 10 5 FDBERN Cn1cc([C@@]2(C)CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CCO2)cn1 ZINC000301633351 259031052 /nfs/dbraw/zinc/03/10/52/259031052.db2.gz DIAKQOHZGTYHLS-QGZVFWFLSA-N 0 0 370.369 1.729 10 5 FDBERN O=C(NCC(F)(F)F)[C@@H]1CCCN(c2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302019573 259037729 /nfs/dbraw/zinc/03/77/29/259037729.db2.gz DMJXVURDEDJTTE-LLVKDONJSA-N 0 0 361.320 1.982 10 5 FDBERN O=[N+]([O-])c1ccc(CO)cc1N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000302037194 259038052 /nfs/dbraw/zinc/03/80/52/259038052.db2.gz MILGWFSQHVIANX-CYBMUJFWSA-N 0 0 355.416 1.091 10 5 FDBERN O=C(c1ccc(CNc2cc(F)ccc2[N+](=O)[O-])cc1)N1CCNC(=O)C1 ZINC000302793729 259046129 /nfs/dbraw/zinc/04/61/29/259046129.db2.gz HJTFHJULRJQJFY-UHFFFAOYSA-N 0 0 372.356 1.918 10 5 FDBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000066485528 523079199 /nfs/dbraw/zinc/07/91/99/523079199.db2.gz QRMLROAFLAYCFP-IWAYRVGRSA-N 0 0 373.409 1.848 10 5 FDBERN Cc1sc(C(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1[N+](=O)[O-] ZINC000136429271 524201266 /nfs/dbraw/zinc/20/12/66/524201266.db2.gz MOCGPUUXBOCENN-UHFFFAOYSA-N 0 0 373.398 1.365 10 5 FDBERN CCCc1n[nH]c(C(=O)N2CCO[C@H](c3nccs3)C2)c1[N+](=O)[O-] ZINC000111620293 524311733 /nfs/dbraw/zinc/31/17/33/524311733.db2.gz VYZJGVADPAUXAX-JTQLQIEISA-N 0 0 351.388 1.941 10 5 FDBERN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCC2 ZINC000121721536 524341026 /nfs/dbraw/zinc/34/10/26/524341026.db2.gz SQEXPQQZRJLYQQ-SNVBAGLBSA-N 0 0 351.388 1.562 10 5 FDBERN C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1cccc(-n2ccnc2)c1 ZINC000173920279 524483812 /nfs/dbraw/zinc/48/38/12/524483812.db2.gz BMPDILXLXJBTQR-CYBMUJFWSA-N 0 0 367.365 1.820 10 5 FDBERN Cc1cc(N2CCC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3C)C2=O)n(C)n1 ZINC000174994142 524826314 /nfs/dbraw/zinc/82/63/14/524826314.db2.gz OFZFLVYOVNPMNN-CQSZACIVSA-N 0 0 371.397 1.871 10 5 FDBERN CC(=O)NC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000124235770 524936152 /nfs/dbraw/zinc/93/61/52/524936152.db2.gz WWXYILFOPIDKLW-LBPRGKRZSA-N 0 0 355.416 1.351 10 5 FDBERN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000175544346 524974588 /nfs/dbraw/zinc/97/45/88/524974588.db2.gz KVRHXHSHLAHQJP-ZDUSSCGKSA-N 0 0 369.443 1.555 10 5 FDBERN Cc1ccc(CCNC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000116555040 525172762 /nfs/dbraw/zinc/17/27/62/525172762.db2.gz TXTSQGSFXYCONR-MSOLQXFVSA-N 0 0 373.409 1.839 10 5 FDBERN CC[C@@H]1CN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CCN1CCOC ZINC000117304750 525316477 /nfs/dbraw/zinc/31/64/77/525316477.db2.gz QPTCRBONLWCGLP-CYBMUJFWSA-N 0 0 351.403 1.786 10 5 FDBERN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@H](n2cncn2)C1 ZINC000163979867 525467803 /nfs/dbraw/zinc/46/78/03/525467803.db2.gz LWNZVXUSTLUBAM-AWEZNQCLSA-N 0 0 365.415 1.396 10 5 FDBERN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCN(c2cccnn2)CC1 ZINC000106071508 525560976 /nfs/dbraw/zinc/56/09/76/525560976.db2.gz AKWQDEYSLDSQTP-CQSZACIVSA-N 0 0 370.413 1.924 10 5 FDBERN CC(C)(C)c1ccc(C(=O)NC[C@@H](O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000129006573 525601932 /nfs/dbraw/zinc/60/19/32/525601932.db2.gz OCNNRWPIDQYFEQ-CQSZACIVSA-N 0 0 365.430 1.315 10 5 FDBERN CCCc1n[nH]c(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)c1[N+](=O)[O-] ZINC000119082460 525631717 /nfs/dbraw/zinc/63/17/17/525631717.db2.gz XWIZPFZKQUHFLQ-LLVKDONJSA-N 0 0 359.390 1.459 10 5 FDBERN O=[N+]([O-])c1ccc(-c2nnc(CN3CCO[C@H](Cn4cccn4)C3)o2)cc1 ZINC000106193568 525664255 /nfs/dbraw/zinc/66/42/55/525664255.db2.gz ZEGSONRYQOVMFU-HNNXBMFYSA-N 0 0 370.369 1.742 10 5 FDBERN CC[C@@H](O)CN1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000106393625 525710479 /nfs/dbraw/zinc/71/04/79/525710479.db2.gz FNVXVIDFJSYDHA-CYBMUJFWSA-N 0 0 353.444 1.845 10 5 FDBERN CC[C@H](O)CN1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000106397178 525714462 /nfs/dbraw/zinc/71/44/62/525714462.db2.gz LGUNRPUFCDWWMD-ZFWWWQNUSA-N 0 0 367.471 1.991 10 5 FDBERN CN1CCO[C@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000120193854 525989969 /nfs/dbraw/zinc/98/99/69/525989969.db2.gz XWDIWRCRYCXIIG-MRXNPFEDSA-N 0 0 350.419 1.547 10 5 FDBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCO[C@@H](Cn2cccn2)C1 ZINC000134270373 526142164 /nfs/dbraw/zinc/14/21/64/526142164.db2.gz AYLVKLWVPGTLGN-OAHLLOKOSA-N 0 0 369.381 1.743 10 5 FDBERN Cc1ccc(N2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC2)nn1 ZINC000109634287 526144760 /nfs/dbraw/zinc/14/47/60/526144760.db2.gz JGULVQXXCGJVFP-UHFFFAOYSA-N 0 0 374.376 1.767 10 5 FDBERN COc1cc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc([N+](=O)[O-])c1C ZINC000188422625 536292722 /nfs/dbraw/zinc/29/27/22/536292722.db2.gz ACHRCDGJLFIHHW-WBMJQRKESA-N 0 0 363.414 1.705 10 5 FDBERN O=C(NC1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1)C1CCC1 ZINC000188467474 536293799 /nfs/dbraw/zinc/29/37/99/536293799.db2.gz LHQJHVODDYBVNL-UHFFFAOYSA-N 0 0 369.381 1.521 10 5 FDBERN CC(C)c1ccc(C(=O)NC[C@@H](O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000188999192 536983716 /nfs/dbraw/zinc/98/37/16/536983716.db2.gz 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525337340 /nfs/dbraw/zinc/33/73/40/525337340.db2.gz ACRBPZBJXYVWJU-ZDUSSCGKSA-N 0 0 350.419 1.668 10 5 FDBERN CNC(=O)[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)C ZINC000178839374 525489718 /nfs/dbraw/zinc/48/97/18/525489718.db2.gz JRZJIFWZKCMXKJ-MRXNPFEDSA-N 0 0 362.430 1.698 10 5 FDBERN COCCN1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000106110253 525598573 /nfs/dbraw/zinc/59/85/73/525598573.db2.gz YKFSOOVXOGJBRS-KBPBESRZSA-N 0 0 350.419 1.574 10 5 FDBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](Cn2cncn2)C1 ZINC000106175679 525651725 /nfs/dbraw/zinc/65/17/25/525651725.db2.gz LJPXQMRGWZZYDB-CQSZACIVSA-N 0 0 358.402 1.845 10 5 FDBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@H](Cn2cccn2)C1 ZINC000106192978 525664607 /nfs/dbraw/zinc/66/46/07/525664607.db2.gz VCFMMFUSKRZESP-HNNXBMFYSA-N 0 0 359.386 1.439 10 5 FDBERN Cc1cnn(C[C@@H]2CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CCO2)c1 ZINC000106196785 525665176 /nfs/dbraw/zinc/66/51/76/525665176.db2.gz GARWGPJKPABRCB-HNNXBMFYSA-N 0 0 359.386 1.100 10 5 FDBERN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCO[C@H](c2nccs2)C1 ZINC000182229614 526104410 /nfs/dbraw/zinc/10/44/10/526104410.db2.gz QRHHUIQXEZEFIF-WFASDCNBSA-N 0 0 365.411 1.865 10 5 FDBERN CCCc1n[nH]c(C(=O)N[C@@H]2C[C@@H](OCC)C23CCOCC3)c1[N+](=O)[O-] ZINC000186457539 536234763 /nfs/dbraw/zinc/23/47/63/536234763.db2.gz STJGPBSQGAGRPW-CHWSQXEVSA-N 0 0 366.418 1.974 10 5 FDBERN CCO[C@@H]1C[C@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)C12CCOCC2 ZINC000187055034 536253608 /nfs/dbraw/zinc/25/36/08/536253608.db2.gz DPRYIJZNNROMRO-NWDGAFQWSA-N 0 0 352.391 1.341 10 5 FDBERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000262867984 536925364 /nfs/dbraw/zinc/92/53/64/536925364.db2.gz LZPNFQRREKRIED-CYBMUJFWSA-N 0 0 357.794 1.465 10 5 FDBERN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000246590898 536987236 /nfs/dbraw/zinc/98/72/36/536987236.db2.gz YVJXDJBULYRLIQ-WCQYABFASA-N 0 0 369.443 1.457 10 5 FDBERN C[C@@H]1C[C@@H]1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000246625472 536992652 /nfs/dbraw/zinc/99/26/52/536992652.db2.gz UNAOLYFBGQNBBC-DDTOSNHZSA-N 0 0 353.400 1.273 10 5 FDBERN CC[N@H+](CC(=O)[O-])C1CC(Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000263569159 537046046 /nfs/dbraw/zinc/04/60/46/537046046.db2.gz ZBFFRCTUOYDRAV-UHFFFAOYSA-N 0 0 351.388 1.949 10 5 FDBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3nc4ccccc4o3)CC2)n1 ZINC000191821958 537212697 /nfs/dbraw/zinc/21/26/97/537212697.db2.gz WNUXCRMVNVDJNP-UHFFFAOYSA-N 0 0 370.369 1.915 10 5 FDBERN C[C@@H](C(=O)N(C)Cc1ccco1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000192807991 537233247 /nfs/dbraw/zinc/23/32/47/537233247.db2.gz IDKOBJMYTCZPKG-JTQLQIEISA-N 0 0 357.322 1.831 10 5 FDBERN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000193605008 537252479 /nfs/dbraw/zinc/25/24/79/537252479.db2.gz RLPNPLXXWSSTEC-UHFFFAOYSA-N 0 0 369.337 1.799 10 5 FDBERN COC(=O)c1cnc(N2CCC[C@H](Cc3noc(C)n3)C2)c([N+](=O)[O-])c1 ZINC000276517495 537566912 /nfs/dbraw/zinc/56/69/12/537566912.db2.gz FZIGZQAADOGSRE-LLVKDONJSA-N 0 0 361.358 1.927 10 5 FDBERN O=C(NCc1ccsc1)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000042890881 670930298 /nfs/dbraw/zinc/93/02/98/670930298.db2.gz SPWLYRNXHCCKRO-UONOGXRCSA-N 0 0 351.384 1.550 10 5 FDBERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000249779654 672581965 /nfs/dbraw/zinc/58/19/65/672581965.db2.gz OYIQLMXFILSWCI-UTUOFQBUSA-N 0 0 350.375 1.583 10 5 FDBERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000262472783 672795129 /nfs/dbraw/zinc/79/51/29/672795129.db2.gz ONJBFMHEASOEJM-UHFFFAOYSA-N 0 0 371.415 1.119 10 5 FDBERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000262760407 672843440 /nfs/dbraw/zinc/84/34/40/672843440.db2.gz ZOYZJBZFQORYOM-UHFFFAOYSA-N 0 0 369.805 1.844 10 5 FDBERN CS(=O)(=O)c1cc(C(=O)N2CCN3CCCC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000195046963 178236577 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1.210 10 5 FDBERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000088197781 172229114 /nfs/dbraw/zinc/22/91/14/172229114.db2.gz GPEJMWHEGKZTAI-GFCCVEGCSA-N 0 0 358.402 1.836 10 5 FDBERN CC(C)c1ncc(C(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000092518914 172299398 /nfs/dbraw/zinc/29/93/98/172299398.db2.gz WBGVTVLATSDREJ-OCCSQVGLSA-N 0 0 365.411 1.999 10 5 FDBERN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H](C)CO ZINC000097204169 172327772 /nfs/dbraw/zinc/32/77/72/172327772.db2.gz YMZTYANLDAMFGY-TVQRCGJNSA-N 0 0 357.794 1.500 10 5 FDBERN Cc1c(NC(=O)[C@H](C)N2CCO[C@H](Cn3cccn3)C2)cccc1[N+](=O)[O-] ZINC000106190850 172431563 /nfs/dbraw/zinc/43/15/63/172431563.db2.gz XAFSHZWRZGPBBI-GJZGRUSLSA-N 0 0 373.413 1.828 10 5 FDBERN Cc1noc([C@H](C)N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)n1 ZINC000108947468 172490555 /nfs/dbraw/zinc/49/05/55/172490555.db2.gz FDSQTKABGWIEMP-JTQLQIEISA-N 0 0 360.374 1.268 10 5 FDBERN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCO[C@H](c3nccs3)C2)cc1 ZINC000111343982 172548426 /nfs/dbraw/zinc/54/84/26/172548426.db2.gz OSRBCEWYOWTDMD-ZDUSSCGKSA-N 0 0 369.424 1.955 10 5 FDBERN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC(c2cc[nH]n2)CC1 ZINC000125085588 172992476 /nfs/dbraw/zinc/99/24/76/172992476.db2.gz MBIHPUGJXPQSMA-UHFFFAOYSA-N 0 0 367.369 1.918 10 5 FDBERN Cn1cc([C@H]2CN(c3ccc([N+](=O)[O-])c(S(C)(=O)=O)c3)CCO2)cn1 ZINC000125928791 173023510 /nfs/dbraw/zinc/02/35/10/173023510.db2.gz IMGAFJAVZGKFHP-CQSZACIVSA-N 0 0 366.399 1.310 10 5 FDBERN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H](Cn2cncn2)C1 ZINC000127440804 173077275 /nfs/dbraw/zinc/07/72/75/173077275.db2.gz BKXVYKWEKHQQMV-AWEZNQCLSA-N 0 0 359.386 1.894 10 5 FDBERN Cc1cc(=O)c(C(=O)N2[C@H](C)COC[C@@H]2C)nn1-c1ccccc1[N+](=O)[O-] ZINC000130746167 173179617 /nfs/dbraw/zinc/17/96/17/173179617.db2.gz UPROTPKRRQCPEW-BETUJISGSA-N 0 0 372.381 1.699 10 5 FDBERN COc1cc(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)ccc1[N+](=O)[O-] ZINC000150816086 173382864 /nfs/dbraw/zinc/38/28/64/173382864.db2.gz 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O=C(N[C@H]1CCCn2ncnc21)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000177577414 174142039 /nfs/dbraw/zinc/14/20/39/174142039.db2.gz VHSJGPWCMVAUKD-ZDUSSCGKSA-N 0 0 353.342 1.637 10 5 FDBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000180972062 174199295 /nfs/dbraw/zinc/19/92/95/174199295.db2.gz ZHVFYTAKOMNKIK-GFCCVEGCSA-N 0 0 351.388 1.287 10 5 FDBERN Cc1nc(CC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000180454958 258369269 /nfs/dbraw/zinc/36/92/69/258369269.db2.gz ZVSQZJJPYYAFBV-GDBMZVCRSA-N 0 0 365.411 1.421 10 5 FDBERN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000180758287 258374608 /nfs/dbraw/zinc/37/46/08/258374608.db2.gz VEHSRADVVOSJGZ-QGZVFWFLSA-N 0 0 370.409 1.668 10 5 FDBERN Cc1nnc([C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N(C)C)CCO2)[nH]1 ZINC000173605753 258304777 /nfs/dbraw/zinc/30/47/77/258304777.db2.gz WUSNCULAWYRIKT-CQSZACIVSA-N 0 0 360.374 1.301 10 5 FDBERN C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nnc2n1CCCC2 ZINC000173632329 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C[C@@H](O)CN1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1C ZINC000174353160 524549007 /nfs/dbraw/zinc/54/90/07/524549007.db2.gz FDDPSUGWOAIYET-UONOGXRCSA-N 0 0 373.413 1.308 10 5 FDBERN Cc1c(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000123307606 524724862 /nfs/dbraw/zinc/72/48/62/524724862.db2.gz IKMVUQDGVXBOPU-ACJLOTCBSA-N 0 0 361.398 1.995 10 5 FDBERN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CCc2ncnn2C1 ZINC000161166206 525048066 /nfs/dbraw/zinc/04/80/66/525048066.db2.gz MLJQMBSCQNTEMA-QMMMGPOBSA-N 0 0 368.300 1.924 10 5 FDBERN CS(=O)(=O)c1cc(NC[C@H]2CN(C3CC3)CCO2)ccc1[N+](=O)[O-] ZINC000124842779 525092481 /nfs/dbraw/zinc/09/24/81/525092481.db2.gz SEYXTTSFLSCCNF-ZDUSSCGKSA-N 0 0 355.416 1.273 10 5 FDBERN COc1cc(OCC(=O)N2CC[C@@H](c3cnn(C)c3)C2)ccc1[N+](=O)[O-] ZINC000116111828 525101566 /nfs/dbraw/zinc/10/15/66/525101566.db2.gz XLDRHXBPEIJBAK-GFCCVEGCSA-N 0 0 360.370 1.732 10 5 FDBERN COc1ccc(NC(=O)CN2CC[C@@H](c3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000116311148 525130781 /nfs/dbraw/zinc/13/07/81/525130781.db2.gz PQYFXWHSJMGERF-GFCCVEGCSA-N 0 0 359.386 1.765 10 5 FDBERN Cn1cc([C@@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000116466802 525161480 /nfs/dbraw/zinc/16/14/80/525161480.db2.gz XREXTUZTSFPEOA-CYBMUJFWSA-N 0 0 357.370 1.074 10 5 FDBERN CC[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1CCOC ZINC000117372017 525329342 /nfs/dbraw/zinc/32/93/42/525329342.db2.gz VDXLKGDYHMOJSV-HNNXBMFYSA-N 0 0 371.459 1.467 10 5 FDBERN CNC(=O)[C@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C(C)C ZINC000178447295 525430232 /nfs/dbraw/zinc/43/02/32/525430232.db2.gz JBYCYSPNFUQNJC-OAHLLOKOSA-N 0 0 363.418 1.197 10 5 FDBERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000118671800 525519458 /nfs/dbraw/zinc/51/94/58/525519458.db2.gz PONFXCHQMLSGHD-LLVKDONJSA-N 0 0 367.369 1.660 10 5 FDBERN COc1ccc([N+](=O)[O-])cc1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000106093050 525574274 /nfs/dbraw/zinc/57/42/74/525574274.db2.gz JRVSETCAEASMJU-UHFFFAOYSA-N 0 0 369.385 1.363 10 5 FDBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](Cn2cncn2)C1 ZINC000106176077 525654714 /nfs/dbraw/zinc/65/47/14/525654714.db2.gz JOUHQGMLAUWLGA-KGLIPLIRSA-N 0 0 358.402 1.926 10 5 FDBERN CC[C@@H](O)CN1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000106393028 525710369 /nfs/dbraw/zinc/71/03/69/525710369.db2.gz LBHPEPLSNWDRKL-CQSZACIVSA-N 0 0 352.347 1.032 10 5 FDBERN CC[C@H](O)CN1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000106397481 525715050 /nfs/dbraw/zinc/71/50/50/525715050.db2.gz ACPATNYCWPIWTO-KRWDZBQOSA-N 0 0 373.413 1.309 10 5 FDBERN CN1CCO[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000119601167 525801406 /nfs/dbraw/zinc/80/14/06/525801406.db2.gz PXXMPGSSJKGAEW-LBPRGKRZSA-N 0 0 358.192 1.418 10 5 FDBERN Cc1noc([C@H]2COCCN2C(=O)CCNc2ccccc2[N+](=O)[O-])n1 ZINC000155568652 525907875 /nfs/dbraw/zinc/90/78/75/525907875.db2.gz KSINWKFRCXRFGB-CQSZACIVSA-N 0 0 361.358 1.688 10 5 FDBERN CNC(=O)c1ccc(N2CCO[C@H](Cn3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000108950149 526048856 /nfs/dbraw/zinc/04/88/56/526048856.db2.gz CPCOHCFLGIQPSD-AWEZNQCLSA-N 0 0 359.386 1.365 10 5 FDBERN CCCc1n[nH]c(C(=O)N2CCC(c3nncn3CC)CC2)c1[N+](=O)[O-] ZINC000109622025 526140762 /nfs/dbraw/zinc/14/07/62/526140762.db2.gz SMGHNSOKDRYGKS-UHFFFAOYSA-N 0 0 361.406 1.902 10 5 FDBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000183662352 536024900 /nfs/dbraw/zinc/02/49/00/536024900.db2.gz CLKHWGFKFSGJCO-VIFPVBQESA-N 0 0 371.806 1.441 10 5 FDBERN COCCN1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000183667447 536026467 /nfs/dbraw/zinc/02/64/67/536026467.db2.gz REXADWFXTVYJPN-AWEZNQCLSA-N 0 0 371.459 1.120 10 5 FDBERN Cc1noc([C@H]2COCCN2C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000183760426 536044724 /nfs/dbraw/zinc/04/47/24/536044724.db2.gz ZTABPEAGWVATFG-CQSZACIVSA-N 0 0 357.326 1.981 10 5 FDBERN C[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1nnc2n1CCCC2 ZINC000184696324 536176704 /nfs/dbraw/zinc/17/67/04/536176704.db2.gz 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COc1c(F)cc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000249467682 537236487 /nfs/dbraw/zinc/23/64/87/537236487.db2.gz QVLWUOOKZKWKNU-NSHDSACASA-N 0 0 373.406 1.601 10 5 FDBERN Cn1c(CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)nnc1C1CC1 ZINC000194692941 537315658 /nfs/dbraw/zinc/31/56/58/537315658.db2.gz IYCGDKKDTCNTHX-KRWDZBQOSA-N 0 0 370.369 1.568 10 5 FDBERN NC(=O)c1ccc(OC(F)F)c(I)c1[N+](=O)[O-] ZINC000575667245 550468658 /nfs/dbraw/zinc/46/86/58/550468658.db2.gz NGMYRGMQCVJKNL-UHFFFAOYSA-N 0 0 358.038 1.900 10 5 FDBERN O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)nc1 ZINC000120108946 671684231 /nfs/dbraw/zinc/68/42/31/671684231.db2.gz ZYQGRGVETQTBAZ-OCCSQVGLSA-N 0 0 351.746 1.468 10 5 FDBERN CC(=O)N[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000127550861 671770066 /nfs/dbraw/zinc/77/00/66/671770066.db2.gz BHOBCOSOVQPOFI-NSHDSACASA-N 0 0 350.331 1.552 10 5 FDBERN CC(=O)NC[C@@H]1CN(c2ccc([N+]3([O-])CCOCC3)c(F)c2)C(=O)O1 ZINC000952984372 717195032 /nfs/dbraw/zinc/19/50/32/717195032.db2.gz HSMIFTGGSLOPRK-CYBMUJFWSA-O 0 0 354.358 1.014 10 5 FDBERN Cc1nn(C)c(NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1[N+](=O)[O-] ZINC000702786223 884199310 /nfs/dbraw/zinc/19/93/10/884199310.db2.gz FCZGOEZEUNKQEF-MNOVXSKESA-N 0 0 355.395 1.276 10 5 FDBERN Cc1cnc(NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c([N+](=O)[O-])c1 ZINC000702783594 884226773 /nfs/dbraw/zinc/22/67/73/884226773.db2.gz FSFKRAJSGMRDGD-AAEUAGOBSA-N 0 0 352.391 1.938 10 5 FDBERN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702814181 884232718 /nfs/dbraw/zinc/23/27/18/884232718.db2.gz PEEDCTPLWZZBMC-RYUDHWBXSA-N 0 0 369.422 1.759 10 5 FDBERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000192015671 178084486 /nfs/dbraw/zinc/08/44/86/178084486.db2.gz CIDDBHAZKOKWPY-LBPRGKRZSA-N 0 0 365.415 1.925 10 5 FDBERN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000194732332 178223455 /nfs/dbraw/zinc/22/34/55/178223455.db2.gz LGOKJYKRZYHHBD-UHFFFAOYSA-N 0 0 367.369 1.303 10 5 FDBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246510591 178430992 /nfs/dbraw/zinc/43/09/92/178430992.db2.gz NUFBPKRWINJTSA-HIFRSBDPSA-N 0 0 369.443 1.244 10 5 FDBERN O=C(NC1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1)C1CCC1 ZINC000188507152 177865358 /nfs/dbraw/zinc/86/53/58/177865358.db2.gz DJOUEIFFTYIIGN-UHFFFAOYSA-N 0 0 372.425 1.936 10 5 FDBERN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@H](N2CCOCC2)C1 ZINC000172766139 258285153 /nfs/dbraw/zinc/28/51/53/258285153.db2.gz SSZMYZSUIGXUSC-INIZCTEOSA-N 0 0 374.441 1.742 10 5 FDBERN Cc1nnc([C@@H]2CN(C(=O)CN(C)c3ccccc3[N+](=O)[O-])CCO2)[nH]1 ZINC000173092933 258291150 /nfs/dbraw/zinc/29/11/50/258291150.db2.gz ZKWYSPOACMTFKR-AWEZNQCLSA-N 0 0 360.374 1.058 10 5 FDBERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc([N+](=O)[O-])c2)ncn1 ZINC000173429032 258299147 /nfs/dbraw/zinc/29/91/47/258299147.db2.gz VJKPFIRJWKZXTJ-AWEZNQCLSA-N 0 0 356.386 1.825 10 5 FDBERN 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